#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jx1 s SER 4 N 0.00 3.51 0.72 0.00 1.04 -1.26 -5.04 113.70 112.67 1jx1 s SER 4 Ca 0.00 0.43 -0.17 0.00 0.48 0.00 0.00 55.95 56.69 1jx1 s SER 4 Cb 0.00 -0.62 -0.14 0.00 0.10 0.00 0.00 66.02 65.36 1jx1 s SER 4 CO 0.00 -2.50 -0.30 0.00 0.98 0.00 0.00 173.24 171.42 1jx1 n ILE 5 N -3.65 0.20 -3.93 -1.02 0.13 -1.26 -5.04 119.36 104.80 1jx1 n ILE 5 Ca 0.13 -0.49 -0.09 0.00 -1.10 0.00 0.00 62.75 61.20 1jx1 n ILE 5 Cb 0.60 -0.09 -0.09 0.00 -0.84 0.00 0.00 39.64 39.22 1jx1 n ILE 5 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 1jx1 s THR 6 N -1.99 0.14 0.63 9.51 -4.23 -1.26 -5.04 115.64 113.39 1jx1 s THR 6 Ca 0.52 -1.18 -0.13 0.00 -1.18 0.00 0.00 61.69 59.72 1jx1 s THR 6 Cb -0.36 -1.05 -0.03 0.00 1.34 0.00 0.00 72.50 72.40 1jx1 s THR 6 CO 0.71 -0.65 1.04 0.00 -0.54 0.00 0.00 174.62 175.18 1jx1 s ALA 7 N -3.00 2.85 -0.04 3.99 0.00 -1.26 -4.44 121.76 119.86 1jx1 s ALA 7 Ca -0.02 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.11 1jx1 s ALA 7 Cb 0.01 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1jx1 s ALA 7 CO -0.06 -0.85 -0.15 0.42 0.00 0.00 0.00 175.76 175.12 1jx1 s ILE 8 N -2.88 1.28 -0.20 0.00 1.01 -0.07 -4.92 121.20 115.43 1jx1 s ILE 8 Ca 0.59 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 60.56 1jx1 s ILE 8 Cb -0.13 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 1jx1 s ILE 8 CO 0.47 0.38 0.02 -0.89 0.00 0.00 0.00 174.94 174.92 1jx1 s THR 9 N 0.16 4.23 -0.32 2.92 2.01 -1.26 0.16 115.64 123.54 1jx1 s THR 9 Ca -0.05 -0.22 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1jx1 s THR 9 Cb -0.12 -2.91 0.10 0.00 0.01 0.00 0.00 72.50 69.58 1jx1 s THR 9 CO 0.02 0.43 0.06 -0.69 -0.69 0.00 0.00 174.62 173.75 1jx1 s VAL 10 N 0.83 1.62 -1.27 3.82 1.01 0.75 -4.80 120.40 122.36 1jx1 s VAL 10 Ca 0.02 -1.84 -0.01 0.00 0.00 0.00 0.00 61.98 60.15 1jx1 s VAL 10 Cb -0.14 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1jx1 s VAL 10 CO 0.02 -0.58 0.89 -0.62 0.00 0.00 0.00 175.10 174.82 1jx1 n GLU 11 N 4.54 -6.00 -0.70 2.72 -0.58 -1.26 -1.45 120.64 117.91 1jx1 n GLU 11 Ca -0.00 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.48 1jx1 n GLU 11 Cb 0.42 -5.58 0.00 0.00 -0.57 0.00 0.00 31.44 25.71 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 -3.08 0.00 -4.43 1.62 3.02 -1.26 -4.95 115.26 106.18 1jx1 n ASN 12 Ca -0.26 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 53.85 1jx1 n ASN 12 Cb 0.66 -0.89 -0.06 0.00 -0.61 0.00 0.00 39.78 38.88 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 0.00 5.08 0.21 3.41 1.43 -0.53 -5.04 118.68 123.24 1jx1 s LEU 13 Ca 0.00 -1.01 -0.25 0.00 -1.03 0.00 0.00 54.13 51.83 1jx1 s LEU 13 Cb 0.00 -2.41 -0.08 0.00 0.03 0.00 0.00 46.19 43.73 1jx1 s LEU 13 CO 0.00 -0.90 0.82 -0.70 0.23 0.00 0.00 176.35 175.80 1jx1 s GLU 14 N 2.54 4.57 -0.31 1.70 2.12 -1.26 -0.18 118.70 127.88 1jx1 s GLU 14 Ca 0.14 1.19 0.00 0.00 0.36 0.00 0.00 54.97 56.66 1jx1 s GLU 14 Cb -0.20 -3.13 0.07 0.00 0.26 0.00 0.00 34.13 31.12 1jx1 s GLU 14 CO 0.11 0.49 0.00 0.71 -0.54 0.00 0.00 175.26 176.03 1jx1 s TYR 15 N -1.28 3.39 0.42 5.30 1.51 0.43 -4.95 117.35 122.16 1jx1 s TYR 15 Ca 0.40 -2.25 -0.24 0.00 -1.01 0.00 0.00 57.07 53.97 1jx1 s TYR 15 Cb -0.22 -2.33 -0.11 0.00 -0.11 0.00 0.00 41.96 39.19 1jx1 s TYR 15 CO 0.26 -0.87 0.98 -2.30 -1.11 0.00 0.00 175.55 172.50 1jx1 n PRO 16 N 4.51 1.28 -0.28 -1.71 -0.02 -1.26 -0.89 135.00 136.62 1jx1 n PRO 16 Ca -0.09 0.46 0.02 0.00 -2.02 0.00 0.00 63.50 61.87 1jx1 n PRO 16 Cb 0.42 -2.00 0.15 0.00 -0.02 0.00 0.00 33.50 32.06 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 1.46 1.12 -2.85 3.55 0.00 -1.92 -3.40 119.26 117.23 1jx1 h ALA 17 Ca -0.44 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.31 1jx1 h ALA 17 Cb 1.34 -0.13 -0.20 0.00 0.00 0.00 0.00 17.79 18.81 1jx1 h ALA 17 CO 0.56 0.08 -0.71 0.08 0.00 0.00 0.00 179.25 179.27 1jx1 s VAL 18 N -6.04 0.29 0.10 0.00 1.01 -1.26 0.46 120.40 114.95 1jx1 s VAL 18 Ca -0.12 -1.19 -0.00 0.00 0.00 0.00 0.00 61.98 60.66 1jx1 s VAL 18 Cb 0.19 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1jx1 s VAL 18 CO 0.78 -0.58 -0.00 0.68 0.00 0.00 0.00 175.10 175.98 1jx1 s VAL 19 N -2.02 0.28 -0.04 2.92 -7.23 0.46 -4.97 120.40 109.81 1jx1 s VAL 19 Ca -0.08 -1.88 -0.01 0.00 -1.81 0.00 0.00 61.98 58.20 1jx1 s VAL 19 Cb -0.06 -1.79 0.03 0.00 0.56 0.00 0.00 36.38 35.13 1jx1 s VAL 19 CO -0.02 -0.74 0.03 -0.89 -0.31 0.00 0.00 175.10 173.16 1jx1 s THR 20 N -3.91 0.06 0.04 5.32 2.01 -1.26 -0.41 115.64 117.49 1jx1 s THR 20 Ca 0.15 0.25 -0.30 0.00 0.31 0.00 0.00 61.69 62.10 1jx1 s THR 20 Cb 0.07 -0.24 -0.07 0.00 0.01 0.00 0.00 72.50 72.28 1jx1 s THR 20 CO -0.04 0.17 1.47 -0.55 -0.69 0.00 0.00 174.62 174.98 1jx1 s SER 21 N 1.66 6.77 0.00 3.53 0.15 -0.41 -4.85 113.70 120.55 1jx1 s SER 21 Ca -0.01 2.25 0.26 0.00 0.70 0.00 0.00 55.95 59.15 1jx1 s SER 21 Cb -0.13 -2.57 1.11 0.00 -1.71 0.00 0.00 66.02 62.73 1jx1 s SER 21 CO -0.03 -0.76 1.83 -2.65 1.20 0.00 0.00 173.24 172.83 1jx1 n PRO 22 N 5.23 0.01 0.00 5.44 -0.02 -1.26 -0.84 135.00 143.56 1jx1 n PRO 22 Ca 0.14 0.05 -0.01 0.00 -2.02 0.00 0.00 63.50 61.66 1jx1 n PRO 22 Cb 0.42 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.40 1jx1 n PRO 22 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1jx1 h VAL 23 N 0.00 0.00 -0.01 -1.45 2.07 -1.86 -3.40 116.25 111.59 1jx1 h VAL 23 Ca 0.00 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1jx1 h VAL 23 Cb 0.44 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1jx1 h VAL 23 CO 0.00 0.00 -0.62 0.35 0.02 0.00 0.00 177.57 177.32 1jx1 n THR 24 N -3.25 0.00 -0.55 2.57 -2.24 -1.25 -4.97 114.28 104.59 1jx1 n THR 24 Ca -0.01 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1jx1 n THR 24 Cb 0.02 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 1.44 1.40 3.79 3.38 0.00 -0.02 -5.00 105.19 110.18 1jx1 n GLY 25 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.13 2.80 -0.12 1.61 1.02 -1.26 -4.66 119.74 119.00 1jx1 s LYS 26 Ca 0.00 1.14 0.02 0.00 0.02 0.00 0.00 55.97 57.15 1jx1 s LYS 26 Cb 0.00 -1.97 -0.01 0.00 -0.52 0.00 0.00 37.83 35.34 1jx1 s LYS 26 CO 0.00 -1.22 -0.18 -1.12 -0.92 0.00 0.00 175.35 171.91 1jx1 s SER 27 N -3.27 3.63 0.17 2.83 0.01 -1.26 -1.28 113.70 114.53 1jx1 s SER 27 Ca 0.62 -0.42 0.09 0.00 1.31 0.00 0.00 55.95 57.54 1jx1 s SER 27 Cb -0.16 -1.52 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 1jx1 s SER 27 CO 0.49 0.17 -0.10 -0.31 0.41 0.00 0.00 173.24 173.90 1jx1 s TYR 28 N 0.33 2.65 0.07 2.43 1.51 0.45 -0.93 117.35 123.86 1jx1 s TYR 28 Ca -0.14 -0.21 0.06 0.00 -1.01 0.00 0.00 57.07 55.76 1jx1 s TYR 28 Cb -0.17 -1.31 -0.04 0.00 -0.11 0.00 0.00 41.96 40.34 1jx1 s TYR 28 CO 0.07 0.50 -0.10 -0.59 -1.11 0.00 0.00 175.55 174.32 1jx1 s PHE 29 N -1.62 2.77 0.05 2.71 -0.12 0.18 -0.40 117.98 121.55 1jx1 s PHE 29 Ca 0.24 -0.13 -0.31 0.00 -0.05 0.00 0.00 56.93 56.69 1jx1 s PHE 29 Cb -0.09 -1.49 -0.08 0.00 -0.63 0.00 0.00 43.02 40.73 1jx1 s PHE 29 CO 0.15 0.39 1.64 -1.17 -0.05 0.00 0.00 175.22 176.17 1jx1 s LEU 30 N -1.88 4.36 -0.07 -1.99 2.96 0.17 -1.59 118.68 120.64 1jx1 s LEU 30 Ca 0.19 2.43 0.16 0.00 -0.22 0.00 0.00 54.13 56.70 1jx1 s LEU 30 Cb -0.11 -3.56 -0.24 0.00 0.50 0.00 0.00 46.19 42.78 1jx1 s LEU 30 CO 0.11 -0.88 0.27 0.61 -1.32 0.00 0.00 176.35 175.14 1jx1 n GLY 31 N 3.98 -0.77 0.00 7.98 0.00 -0.47 -4.93 105.19 110.98 1jx1 n GLY 31 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1jx1 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jx1 n GLY 32 N 1.70 2.04 3.08 -0.02 0.00 -1.17 -3.38 105.19 107.44 1jx1 n GLY 32 Ca -0.11 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 1jx1 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jx1 n ALA 33 N -0.58 0.29 0.00 4.61 0.00 -1.26 0.21 120.51 123.79 1jx1 n ALA 33 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 53.44 51.72 1jx1 n ALA 33 Cb 0.00 1.39 0.00 0.00 0.00 0.00 0.00 19.45 20.84 1jx1 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jx1 n GLY 34 N -0.58 -1.12 3.31 0.00 0.00 0.40 -4.55 105.19 102.65 1jx1 n GLY 34 Ca 0.05 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.83 1.19 0.01 1.61 -1.05 -1.26 -1.16 118.70 117.21 1jx1 s GLU 35 Ca 0.00 -1.25 0.01 0.00 -0.15 0.00 0.00 54.97 53.58 1jx1 s GLU 35 Cb 0.00 -1.39 -0.01 0.00 -0.44 0.00 0.00 34.13 32.29 1jx1 s GLU 35 CO 0.00 0.31 -0.05 1.03 0.95 0.00 0.00 175.26 177.50 1jx1 s ARG 36 N -2.22 0.37 -0.30 -4.83 3.00 -0.51 -4.92 118.95 109.55 1jx1 s ARG 36 Ca 0.10 -0.33 -0.24 0.00 0.00 0.00 0.00 55.73 55.26 1jx1 s ARG 36 Cb -0.09 -0.28 0.18 0.00 0.00 0.00 0.00 34.95 34.77 1jx1 s ARG 36 CO 0.05 0.07 1.35 0.20 0.00 0.00 0.00 175.30 176.97 1jx1 s GLY 37 N -0.57 0.29 -0.12 -3.53 0.00 -1.26 -2.03 107.32 100.11 1jx1 s GLY 37 Ca -0.03 3.41 -0.05 0.00 0.00 0.00 0.00 44.72 48.06 1jx1 s GLY 37 CO -0.00 2.01 3.34 1.47 0.00 0.00 0.00 173.10 179.92 1jx1 n LEU 38 N 1.87 5.57 -4.30 0.66 -0.00 -1.26 -4.76 117.00 114.77 1jx1 n LEU 38 Ca -0.11 -3.38 -0.34 0.00 -0.00 0.00 0.00 56.01 52.18 1jx1 n LEU 38 Cb 0.57 -1.36 -0.14 0.00 -0.00 0.00 0.00 43.42 42.48 1jx1 n LEU 38 CO 0.02 1.68 -0.43 0.12 -0.00 0.00 0.00 177.39 178.78 1jx1 s PHE 44 N 0.24 2.88 0.01 1.47 5.36 -1.26 -4.98 117.98 121.69 1jx1 s PHE 44 Ca 0.62 -0.93 0.06 0.00 -0.96 0.00 0.00 56.93 55.72 1jx1 s PHE 44 Cb 0.32 -1.98 -0.02 0.00 -0.34 0.00 0.00 43.02 41.01 1jx1 s PHE 44 CO -0.06 -0.46 -0.20 0.42 -1.46 0.00 0.00 175.22 173.47 1jx1 s ILE 45 N 1.02 1.57 -0.11 3.12 -1.09 -1.26 -5.10 121.20 119.36 1jx1 s ILE 45 Ca -0.01 -0.96 -0.30 0.00 -2.23 0.00 0.00 60.65 57.16 1jx1 s ILE 45 Cb -0.15 -1.33 -0.02 0.00 -1.58 0.00 0.00 42.46 39.38 1jx1 s ILE 45 CO -0.01 0.35 1.16 -0.54 -1.23 0.00 0.00 174.94 174.67 1jx1 s LYS 46 N -0.71 4.33 -0.00 2.79 1.02 -1.26 -4.31 119.74 121.60 1jx1 s LYS 46 Ca 0.07 1.58 0.00 0.00 0.02 0.00 0.00 55.97 57.65 1jx1 s LYS 46 Cb -0.08 -3.61 -0.00 0.00 -0.52 0.00 0.00 37.83 33.62 1jx1 s LYS 46 CO 0.00 -0.50 0.00 1.19 -0.92 0.00 0.00 175.35 175.12 1jx1 n PHE 47 N 5.59 0.00 -3.63 3.18 3.01 -1.13 -4.43 117.46 120.06 1jx1 n PHE 47 Ca 0.11 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.47 1jx1 n PHE 47 Cb 0.46 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.89 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 -2.00 -0.95 -0.03 4.37 0.00 -0.86 -0.76 121.76 121.53 1jx1 s ALA 48 Ca -0.00 -0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.00 1jx1 s ALA 48 Cb 0.00 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 1jx1 s ALA 48 CO 0.00 -0.64 -0.21 0.00 0.00 0.00 0.00 175.76 174.91 1jx1 s ALA 49 N -3.75 1.78 0.08 0.00 0.00 0.40 -1.43 121.76 118.84 1jx1 s ALA 49 Ca 0.03 -0.87 0.09 0.00 0.00 0.00 0.00 51.96 51.20 1jx1 s ALA 49 Cb 0.02 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1jx1 s ALA 49 CO -0.12 0.38 -0.20 0.42 0.00 0.00 0.00 175.76 176.24 1jx1 s ILE 50 N -0.26 2.66 -0.02 0.00 1.01 -0.31 0.56 121.20 124.84 1jx1 s ILE 50 Ca 0.02 -1.40 0.00 0.00 0.00 0.00 0.00 60.65 59.28 1jx1 s ILE 50 Cb -0.10 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.23 1jx1 s ILE 50 CO 0.01 0.22 -0.00 -0.83 0.00 0.00 0.00 174.94 174.34 1jx1 s GLY 51 N -1.75 0.20 -0.18 6.18 0.00 -0.71 -0.45 107.32 110.62 1jx1 s GLY 51 Ca 0.15 0.14 -0.03 0.00 0.00 0.00 0.00 44.72 44.98 1jx1 s GLY 51 CO 0.07 0.48 -0.07 -1.34 0.00 0.00 0.00 173.10 172.24 1jx1 s VAL 52 N 0.83 3.36 -0.07 1.40 -7.23 0.13 -1.63 120.40 117.19 1jx1 s VAL 52 Ca -0.08 -0.53 0.01 0.00 -1.81 0.00 0.00 61.98 59.57 1jx1 s VAL 52 Cb -0.11 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 1jx1 s VAL 52 CO -0.02 0.47 -0.06 -0.31 -0.31 0.00 0.00 175.10 174.88 1jx1 s TYR 53 N 0.87 2.97 -0.08 2.82 1.51 0.35 -1.37 117.35 124.43 1jx1 s TYR 53 Ca -0.02 0.05 0.05 0.00 -1.01 0.00 0.00 57.07 56.14 1jx1 s TYR 53 Cb -0.15 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 39.98 1jx1 s TYR 53 CO 0.01 0.36 -0.25 -0.51 -1.11 0.00 0.00 175.55 174.05 1jx1 s LEU 54 N -0.86 2.08 0.59 -1.29 1.43 -0.62 -0.92 118.68 119.08 1jx1 s LEU 54 Ca 0.13 -0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 52.50 1jx1 s LEU 54 Cb -0.11 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 1jx1 s LEU 54 CO 0.02 0.21 1.07 1.21 0.23 0.00 0.00 176.35 179.09 1jx1 n GLU 55 N 3.18 1.07 0.00 1.70 2.13 -0.92 0.49 120.64 128.30 1jx1 n GLU 55 Ca -0.18 0.41 0.17 0.00 0.66 0.00 0.00 57.16 58.22 1jx1 n GLU 55 Cb 0.52 -2.27 0.64 0.00 0.27 0.00 0.00 31.44 30.61 1jx1 n GLU 55 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 1jx1 h ASP 56 N 0.71 0.09 0.66 4.31 -0.00 -1.33 -1.59 116.42 119.26 1jx1 h ASP 56 Ca -0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 56.52 1jx1 h ASP 56 Cb 1.35 -0.01 -0.00 0.00 -0.00 0.00 0.00 39.33 40.66 1jx1 h ASP 56 CO 0.52 0.05 -0.14 0.16 -0.00 0.00 0.00 179.24 179.83 1jx1 h ILE 57 N 0.09 0.46 -0.98 4.15 3.07 -1.85 -3.16 117.51 119.29 1jx1 h ILE 57 Ca 0.24 -0.74 0.26 0.00 1.55 0.00 0.00 64.86 66.16 1jx1 h ILE 57 Cb 0.82 1.52 -0.06 0.00 -0.27 0.00 0.00 36.82 38.83 1jx1 h ILE 57 CO -0.02 0.14 0.67 0.00 -1.05 0.00 0.00 178.15 177.89 1jx1 h ALA 58 N 1.86 2.55 0.57 0.16 0.00 -1.62 -2.57 119.26 120.20 1jx1 h ALA 58 Ca -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jx1 h ALA 58 Cb 0.51 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1jx1 h ALA 58 CO 0.02 -0.87 -0.51 0.28 0.00 0.00 0.00 179.25 178.18 1jx1 h VAL 59 N 0.22 0.01 -0.48 0.00 2.07 -1.75 0.27 116.25 116.59 1jx1 h VAL 59 Ca 0.51 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.10 1jx1 h VAL 59 Cb 1.59 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1jx1 h VAL 59 CO -0.13 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.78 1jx1 h ALA 60 N -0.93 2.00 -0.39 1.67 0.00 -1.72 0.73 119.26 120.62 1jx1 h ALA 60 Ca -0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1jx1 h ALA 60 Cb 0.90 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1jx1 h ALA 60 CO -0.03 -0.09 0.10 1.03 0.00 0.00 0.00 179.25 180.26 1jx1 h SER 61 N 0.35 0.58 0.67 0.00 0.87 -1.05 -2.94 113.55 112.03 1jx1 h SER 61 Ca 0.21 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1jx1 h SER 61 Cb 0.39 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1jx1 h SER 61 CO -0.05 0.65 -0.47 0.18 -0.53 0.00 0.00 176.83 176.62 1jx1 n LEU 62 N -4.58 0.49 0.08 2.23 4.77 0.86 -4.50 117.00 116.35 1jx1 n LEU 62 Ca -0.01 0.13 -0.16 0.00 -0.03 0.00 0.00 56.01 55.95 1jx1 n LEU 62 Cb 0.19 -0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 40.92 1jx1 n LEU 62 CO 0.38 0.06 0.51 0.00 -1.33 0.00 0.00 177.39 177.01 1jx1 h ALA 63 N 2.86 -0.97 -0.77 -1.18 0.00 0.63 0.43 119.26 120.25 1jx1 h ALA 63 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.93 1jx1 h ALA 63 Cb 0.57 0.92 -0.08 0.00 0.00 0.00 0.00 17.79 19.20 1jx1 h ALA 63 CO 0.00 -1.11 0.39 0.00 0.00 0.00 0.00 179.25 178.53 1jx1 h ALA 64 N -0.51 1.11 0.00 0.00 0.00 -1.79 0.13 119.26 118.20 1jx1 h ALA 64 Ca 0.00 0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 1jx1 h ALA 64 Cb 0.73 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1jx1 h ALA 64 CO -0.31 -0.06 -1.26 0.87 0.00 0.00 0.00 179.25 178.49 1jx1 h LYS 65 N 0.62 0.00 -0.00 0.00 1.57 -1.82 -3.40 116.57 113.53 1jx1 h LYS 65 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1jx1 h LYS 65 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1jx1 h LYS 65 CO -0.31 0.68 -0.04 0.91 -0.57 0.00 0.00 179.45 180.11 1jx1 n TRP 66 N -3.17 0.00 -2.24 -1.35 7.02 0.13 -4.98 117.44 112.85 1jx1 n TRP 66 Ca -0.07 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 55.99 1jx1 n TRP 66 Cb 0.95 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.81 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 -0.61 4.40 0.00 -0.99 2.20 0.45 -3.02 119.74 122.17 1jx1 s LYS 67 Ca 0.04 2.02 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 1jx1 s LYS 67 Cb 0.04 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1jx1 s LYS 67 CO 0.08 -0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 1jx1 n GLY 68 N 2.46 0.75 3.93 5.54 0.00 -1.26 -4.99 105.19 111.61 1jx1 n GLY 68 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.49 3.31 0.37 1.61 -0.14 -1.17 -5.12 119.74 118.13 1jx1 s LYS 69 Ca 0.00 -0.83 0.01 0.00 -1.36 0.00 0.00 55.97 53.79 1jx1 s LYS 69 Cb 0.00 -2.81 -0.02 0.00 -1.68 0.00 0.00 37.83 33.32 1jx1 s LYS 69 CO 0.00 0.43 0.58 -1.54 -0.76 0.00 0.00 175.35 174.06 1jx1 s SER 70 N -3.90 6.15 0.31 2.83 1.04 -1.26 -4.87 113.70 114.01 1jx1 s SER 70 Ca 0.34 0.38 0.02 0.00 0.48 0.00 0.00 55.95 57.17 1jx1 s SER 70 Cb -0.09 -1.86 0.59 0.00 0.10 0.00 0.00 66.02 64.76 1jx1 s SER 70 CO 0.28 -0.41 1.90 0.28 0.98 0.00 0.00 173.24 176.27 1jx1 h SER 71 N 0.66 0.85 0.04 7.02 0.02 -1.92 -1.12 113.55 119.11 1jx1 h SER 71 Ca -0.49 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.34 1jx1 h SER 71 Cb 1.23 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1jx1 h SER 71 CO 0.60 0.53 -0.46 -0.08 -1.14 0.00 0.00 176.83 176.28 1jx1 h GLU 72 N 0.95 0.50 -0.20 3.45 4.81 -1.94 -2.67 114.58 119.48 1jx1 h GLU 72 Ca 0.40 -0.27 -0.17 0.00 -0.13 0.00 0.00 59.36 59.19 1jx1 h GLU 72 Cb 0.30 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1jx1 h GLU 72 CO -0.16 0.86 -0.52 1.49 -0.73 0.00 0.00 179.01 179.94 1jx1 h GLU 73 N 0.40 0.71 -0.23 1.92 4.81 -1.73 -2.82 114.58 117.64 1jx1 h GLU 73 Ca 0.03 -0.50 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 1jx1 h GLU 73 Cb 0.96 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1jx1 h GLU 73 CO 0.08 1.12 0.05 -0.07 -0.73 0.00 0.00 179.01 179.46 1jx1 h LEU 74 N 0.42 0.30 -0.23 1.64 3.38 -1.20 -2.39 115.31 117.24 1jx1 h LEU 74 Ca -0.01 -0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.72 1jx1 h LEU 74 Cb 1.14 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1jx1 h LEU 74 CO 0.11 0.31 -0.85 0.25 0.09 0.00 0.00 178.44 178.36 1jx1 h LEU 75 N 0.33 0.65 -1.73 1.67 5.85 -1.43 -3.07 115.31 117.57 1jx1 h LEU 75 Ca 0.08 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1jx1 h LEU 75 Cb 0.14 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1jx1 h LEU 75 CO -0.00 1.25 0.00 -1.84 -0.34 0.00 0.00 178.44 177.51 1jx1 n GLU 76 N -3.83 2.28 -4.01 1.25 0.28 -1.05 -4.75 120.64 110.80 1jx1 n GLU 76 Ca -0.07 -1.50 -0.31 0.00 -0.16 0.00 0.00 57.16 55.13 1jx1 n GLU 76 Cb 0.78 -1.49 -0.15 0.00 1.43 0.00 0.00 31.44 32.00 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 -1.62 2.11 0.09 3.84 2.01 -0.92 -5.02 115.64 116.13 1jx1 s THR 77 Ca 0.27 -1.99 -0.30 0.00 0.31 0.00 0.00 61.69 59.98 1jx1 s THR 77 Cb 0.16 -2.44 -0.14 0.00 0.01 0.00 0.00 72.50 70.10 1jx1 s THR 77 CO 0.15 -0.39 1.63 -0.07 -0.69 0.00 0.00 174.62 175.24 1jx1 h LEU 78 N 7.71 -0.81 -0.81 4.42 3.38 -1.85 -2.85 115.31 124.50 1jx1 h LEU 78 Ca -0.10 0.07 0.25 0.00 0.09 0.00 0.00 57.88 58.18 1jx1 h LEU 78 Cb 1.03 0.27 -0.15 0.00 0.09 0.00 0.00 40.66 41.90 1jx1 h LEU 78 CO 0.49 -0.45 0.11 -0.67 0.09 0.00 0.00 178.44 178.00 1jx1 n ASP 79 N -5.43 -0.01 -0.15 -0.43 4.64 -1.26 0.41 116.55 114.32 1jx1 n ASP 79 Ca -0.10 1.36 -0.03 0.00 -1.38 0.00 0.00 54.79 54.65 1jx1 n ASP 79 Cb 0.33 -0.53 0.05 0.00 -1.04 0.00 0.00 41.12 39.93 1jx1 n ASP 79 CO 0.00 0.00 0.00 0.15 -0.82 0.00 0.00 177.20 176.53 1jx1 h PHE 80 N 0.00 0.08 0.00 -0.67 3.04 -1.82 -0.55 116.94 117.02 1jx1 h PHE 80 Ca 0.53 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.47 1jx1 h PHE 80 Cb 1.18 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.72 1jx1 h PHE 80 CO -0.33 -0.04 -0.21 1.88 -2.02 0.00 0.00 178.31 177.59 1jx1 h TYR 81 N 0.18 0.00 -0.21 0.41 -1.99 -0.13 -2.39 116.97 112.83 1jx1 h TYR 81 Ca 0.24 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.76 1jx1 h TYR 81 Cb 0.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.06 1jx1 h TYR 81 CO -0.25 0.21 -0.67 0.00 -0.00 0.00 0.00 178.16 177.45 1jx1 h ARG 82 N 0.00 0.81 -0.27 4.88 3.08 -0.94 0.18 114.38 122.11 1jx1 h ARG 82 Ca -0.00 -0.59 -0.03 0.00 0.07 0.00 0.00 59.98 59.43 1jx1 h ARG 82 Cb 0.68 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1jx1 h ARG 82 CO 0.03 1.21 0.01 -0.44 -1.07 0.00 0.00 179.97 179.71 1jx1 h ASP 83 N 0.59 0.36 -0.07 7.04 3.32 -0.83 -0.23 116.42 126.60 1jx1 h ASP 83 Ca -0.02 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 1jx1 h ASP 83 Cb 1.28 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1jx1 h ASP 83 CO 0.14 0.41 -0.34 0.40 -1.72 0.00 0.00 179.24 178.14 1jx1 h ILE 84 N 0.38 1.42 -0.37 0.35 2.04 -1.10 -1.30 117.51 118.93 1jx1 h ILE 84 Ca 0.09 -1.74 -0.01 0.00 1.00 0.00 0.00 64.86 64.20 1jx1 h ILE 84 Cb 0.24 2.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 1jx1 h ILE 84 CO 0.00 0.50 0.19 0.40 0.00 0.00 0.00 178.15 179.25 1jx1 h ILE 85 N -0.14 1.15 -0.44 -0.67 2.04 -0.29 -3.27 117.51 115.90 1jx1 h ILE 85 Ca -0.02 -0.41 -0.30 0.00 1.00 0.00 0.00 64.86 65.13 1jx1 h ILE 85 Cb 0.99 0.75 -0.20 0.00 -0.74 0.00 0.00 36.82 37.62 1jx1 h ILE 85 CO 0.07 0.16 -0.39 -1.20 0.00 0.00 0.00 178.15 176.78 1jx1 n SER 86 N -4.75 3.49 -4.80 1.72 7.64 -0.13 -4.92 113.62 111.87 1jx1 n SER 86 Ca -0.00 -3.81 -0.33 0.00 1.01 0.00 0.00 58.87 55.73 1jx1 n SER 86 Cb 0.09 -0.53 0.01 0.00 -1.01 0.00 0.00 64.21 62.77 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 -3.07 2.12 -0.20 0.23 0.00 -0.49 -4.90 107.32 101.01 1jx1 s GLY 87 Ca 0.46 0.38 -0.05 0.00 0.00 0.00 0.00 44.72 45.52 1jx1 s GLY 87 CO -0.01 0.70 2.60 -1.55 0.00 0.00 0.00 173.10 174.85 1jx1 n PRO 88 N -2.03 1.59 -3.59 2.90 -0.04 -1.26 -4.77 135.00 127.79 1jx1 n PRO 88 Ca 0.09 -0.86 -0.11 0.00 -0.04 0.00 0.00 63.50 62.57 1jx1 n PRO 88 Cb 0.53 -1.97 -0.04 0.00 -0.04 0.00 0.00 33.50 31.98 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 1.87 -0.29 0.44 0.54 -0.12 -1.26 -4.96 117.98 114.21 1jx1 s PHE 89 Ca 0.47 0.04 -0.22 0.00 -0.05 0.00 0.00 56.93 57.16 1jx1 s PHE 89 Cb 0.20 0.32 -0.09 0.00 -0.63 0.00 0.00 43.02 42.82 1jx1 s PHE 89 CO -0.01 -0.72 1.02 -2.00 -0.05 0.00 0.00 175.22 173.47 1jx1 s GLU 90 N -3.61 4.02 0.01 1.99 2.12 -1.26 -4.32 118.70 117.64 1jx1 s GLU 90 Ca 0.01 1.35 0.05 0.00 0.36 0.00 0.00 54.97 56.75 1jx1 s GLU 90 Cb 0.01 -2.26 -0.02 0.00 0.26 0.00 0.00 34.13 32.12 1jx1 s GLU 90 CO -0.11 -0.24 -0.17 0.15 -0.54 0.00 0.00 175.26 174.35 1jx1 s LYS 91 N -2.98 1.25 -0.11 4.30 3.01 -0.81 -2.17 119.74 122.24 1jx1 s LYS 91 Ca 0.63 -0.68 0.03 0.00 -1.01 0.00 0.00 55.97 54.93 1jx1 s LYS 91 Cb -0.16 -1.25 0.01 0.00 -1.01 0.00 0.00 37.83 35.42 1jx1 s LYS 91 CO 0.21 0.33 -0.20 -1.17 0.51 0.00 0.00 175.35 175.03 1jx1 s LEU 92 N -0.69 1.94 -0.13 3.17 2.96 -0.10 -1.22 118.68 124.62 1jx1 s LEU 92 Ca 0.06 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 1jx1 s LEU 92 Cb -0.07 -1.25 0.02 0.00 0.50 0.00 0.00 46.19 45.38 1jx1 s LEU 92 CO 0.00 0.09 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.33 1jx1 s ILE 93 N 0.64 1.66 -0.23 6.68 1.01 0.27 0.13 121.20 131.36 1jx1 s ILE 93 Ca -0.13 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 1jx1 s ILE 93 Cb -0.16 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 40.80 1jx1 s ILE 93 CO 0.03 0.47 -0.08 -0.60 0.00 0.00 0.00 174.94 174.77 1jx1 s ARG 94 N 1.11 3.04 -0.31 2.79 3.00 -0.64 0.27 118.95 128.21 1jx1 s ARG 94 Ca -0.03 -0.84 -0.13 0.00 -1.00 0.00 0.00 55.73 53.74 1jx1 s ARG 94 Cb -0.14 -2.91 -0.03 0.00 0.00 0.00 0.00 34.95 31.86 1jx1 s ARG 94 CO -0.05 -0.30 0.25 0.20 0.00 0.00 0.00 175.30 175.41 1jx1 s GLY 95 N 1.37 1.93 -0.06 8.12 0.00 -0.05 -1.73 107.32 116.90 1jx1 s GLY 95 Ca 0.03 -1.17 0.03 0.00 0.00 0.00 0.00 44.72 43.61 1jx1 s GLY 95 CO -0.06 0.78 -0.13 -0.56 0.00 0.00 0.00 173.10 173.13 1jx1 s SER 96 N 1.73 4.12 0.33 1.64 0.01 0.19 -0.96 113.70 120.76 1jx1 s SER 96 Ca 0.08 -0.17 -0.12 0.00 1.31 0.00 0.00 55.95 57.05 1jx1 s SER 96 Cb -0.17 -0.92 -0.08 0.00 0.21 0.00 0.00 66.02 65.06 1jx1 s SER 96 CO 0.11 0.34 0.70 -0.54 0.41 0.00 0.00 173.24 174.26 1jx1 s LYS 97 N -0.70 3.88 -0.07 12.44 3.01 -0.87 0.15 119.74 137.58 1jx1 s LYS 97 Ca 0.11 0.50 0.05 0.00 -1.01 0.00 0.00 55.97 55.62 1jx1 s LYS 97 Cb -0.11 -2.47 -0.08 0.00 -1.01 0.00 0.00 37.83 34.16 1jx1 s LYS 97 CO 0.01 0.13 0.01 -0.89 0.51 0.00 0.00 175.35 175.12 1jx1 n ILE 98 N -0.62 0.44 -5.07 2.17 5.41 0.07 -1.37 119.36 120.39 1jx1 n ILE 98 Ca 0.02 -0.26 -0.28 0.00 1.00 0.00 0.00 62.75 63.23 1jx1 n ILE 98 Cb 0.53 -0.82 -0.16 0.00 -0.71 0.00 0.00 39.64 38.48 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 -2.16 1.76 0.39 0.38 0.52 -1.13 -4.83 118.95 113.89 1jx1 s ARG 99 Ca -0.04 -0.78 -0.22 0.00 -0.52 0.00 0.00 55.73 54.17 1jx1 s ARG 99 Cb 0.02 -1.70 -0.15 0.00 0.52 0.00 0.00 34.95 33.64 1jx1 s ARG 99 CO 0.25 0.47 0.23 0.39 0.02 0.00 0.00 175.30 176.66 1jx1 n GLU 100 N 2.55 0.12 -3.33 3.54 -0.58 -1.26 -4.72 120.64 116.95 1jx1 n GLU 100 Ca -0.15 0.04 0.02 0.00 -0.42 0.00 0.00 57.16 56.66 1jx1 n GLU 100 Cb 0.52 -1.11 -0.03 0.00 -0.57 0.00 0.00 31.44 30.25 1jx1 n GLU 100 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1jx1 s LEU 101 N 3.66 -0.63 1.05 -4.62 2.96 -0.41 -4.99 118.68 115.70 1jx1 s LEU 101 Ca 0.61 0.70 -0.15 0.00 -0.22 0.00 0.00 54.13 55.08 1jx1 s LEU 101 Cb -0.66 1.65 0.21 0.00 0.50 0.00 0.00 46.19 47.90 1jx1 s LEU 101 CO 0.61 -0.12 1.12 -0.94 -1.32 0.00 0.00 176.35 175.70 1jx1 s SER 102 N 2.60 2.26 0.03 3.68 1.04 -1.26 0.56 113.70 122.61 1jx1 s SER 102 Ca -0.00 0.93 -0.28 0.00 0.48 0.00 0.00 55.95 57.07 1jx1 s SER 102 Cb -0.08 -1.42 -0.17 0.00 0.10 0.00 0.00 66.02 64.45 1jx1 s SER 102 CO -0.16 -3.33 1.34 1.23 0.98 0.00 0.00 173.24 173.30 1jx1 h GLY 103 N -2.03 -0.75 0.62 7.32 0.00 -0.70 -2.23 103.07 105.30 1jx1 h GLY 103 Ca -0.51 0.28 0.11 0.00 0.00 0.00 0.00 47.33 47.21 1jx1 h GLY 103 CO 0.51 -0.27 0.59 -2.55 0.00 0.00 0.00 176.54 174.82 1jx1 h PRO 104 N -0.93 0.85 -0.12 4.80 0.11 -1.80 0.80 132.00 135.72 1jx1 h PRO 104 Ca -0.07 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 1jx1 h PRO 104 Cb 0.62 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 1jx1 h PRO 104 CO 0.12 0.56 0.04 0.93 -0.21 0.00 0.00 178.00 179.45 1jx1 h GLU 105 N 0.88 0.18 -0.09 1.05 5.08 -1.93 -2.89 114.58 116.86 1jx1 h GLU 105 Ca 0.44 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.70 1jx1 h GLU 105 Cb 0.49 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1jx1 h GLU 105 CO -0.20 0.31 -0.20 -0.92 -1.00 0.00 0.00 179.01 176.99 1jx1 h TYR 106 N 0.02 0.38 -0.02 4.33 3.20 -0.92 -3.26 116.97 120.69 1jx1 h TYR 106 Ca 0.04 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 1jx1 h TYR 106 Cb 0.20 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 1jx1 h TYR 106 CO -0.01 0.81 -0.01 0.66 -1.64 0.00 0.00 178.16 177.97 1jx1 h SER 107 N -0.16 0.02 -0.01 -2.11 4.64 -0.94 -3.23 113.55 111.76 1jx1 h SER 107 Ca 0.00 -0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1jx1 h SER 107 Cb 0.80 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.85 1jx1 h SER 107 CO 0.05 0.05 -0.32 -0.09 -0.87 0.00 0.00 176.83 175.64 1jx1 h ARG 108 N 0.03 -0.37 -0.91 4.77 2.43 -1.55 0.19 114.38 118.96 1jx1 h ARG 108 Ca 0.01 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1jx1 h ARG 108 Cb 0.05 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 1jx1 h ARG 108 CO 0.00 -0.25 0.60 -0.22 -1.51 0.00 0.00 179.97 178.59 1jx1 h LYS 109 N -0.39 1.13 -0.47 0.20 3.64 -1.72 -2.16 116.57 116.80 1jx1 h LYS 109 Ca 0.01 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1jx1 h LYS 109 Cb 0.42 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1jx1 h LYS 109 CO -0.22 0.75 0.09 0.28 -2.27 0.00 0.00 179.45 178.08 1jx1 h VAL 110 N 1.17 1.24 -0.66 2.00 2.07 -1.52 -2.20 116.25 118.35 1jx1 h VAL 110 Ca 0.35 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 1jx1 h VAL 110 Cb -0.02 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1jx1 h VAL 110 CO -0.10 0.31 0.23 0.24 0.02 0.00 0.00 177.57 178.27 1jx1 h MET 111 N 0.64 1.01 0.51 1.57 2.86 -0.22 -0.33 114.93 120.97 1jx1 h MET 111 Ca 0.14 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1jx1 h MET 111 Cb 0.36 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1jx1 h MET 111 CO 0.01 0.87 -0.51 0.93 1.06 0.00 0.00 176.91 179.27 1jx1 h GLU 112 N 0.95 -0.98 -1.07 1.72 5.08 -1.28 0.50 114.58 119.51 1jx1 h GLU 112 Ca 0.22 0.07 0.28 0.00 -1.00 0.00 0.00 59.36 58.93 1jx1 h GLU 112 Cb 0.26 0.22 -0.10 0.00 0.50 0.00 0.00 28.75 29.63 1jx1 h GLU 112 CO -0.01 -0.65 0.68 -0.91 -1.00 0.00 0.00 179.01 177.12 1jx1 h ASN 113 N -1.01 0.44 0.29 1.42 2.35 -1.15 0.04 115.58 117.96 1jx1 h ASN 113 Ca -0.06 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1jx1 h ASN 113 Cb 0.88 0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.28 1jx1 h ASN 113 CO -0.06 0.05 -0.14 0.00 -1.65 0.00 0.00 177.43 175.63 1jx1 h VAL 115 N -0.99 0.26 -0.25 0.00 2.07 0.12 -0.62 116.25 116.84 1jx1 h VAL 115 Ca -0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1jx1 h VAL 115 Cb 0.48 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 1jx1 h VAL 115 CO 0.07 0.00 -0.30 0.00 0.02 0.00 0.00 177.57 177.36 1jx1 h ALA 116 N 0.97 -0.23 -0.88 1.67 0.00 -1.17 0.27 119.26 119.88 1jx1 h ALA 116 Ca 0.20 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1jx1 h ALA 116 Cb 0.52 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1jx1 h ALA 116 CO -0.57 -0.73 0.58 1.25 0.00 0.00 0.00 179.25 179.77 1jx1 h HIS 117 N -0.30 1.10 -0.33 0.00 6.17 -1.37 0.23 115.15 120.65 1jx1 h HIS 117 Ca 0.13 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.23 1jx1 h HIS 117 Cb 0.52 -0.37 -0.02 0.00 2.52 0.00 0.00 27.41 30.06 1jx1 h HIS 117 CO -0.44 0.68 0.17 -0.07 0.71 0.00 0.00 177.93 178.98 1jx1 h LEU 118 N 1.18 0.42 -0.55 0.26 3.38 -0.24 -1.75 115.31 118.02 1jx1 h LEU 118 Ca 0.33 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1jx1 h LEU 118 Cb -0.12 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1jx1 h LEU 118 CO -0.08 0.40 0.35 0.11 0.09 0.00 0.00 178.44 179.31 1jx1 h LYS 119 N 0.41 0.69 -0.57 1.13 1.57 0.10 0.91 116.57 120.82 1jx1 h LYS 119 Ca 0.12 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 1jx1 h LYS 119 Cb 0.08 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1jx1 h LYS 119 CO -0.02 0.46 0.05 0.66 -0.57 0.00 0.00 179.45 180.04 1jx1 h SER 120 N 0.71 0.93 -0.16 0.86 4.64 -0.75 -2.71 113.55 117.07 1jx1 h SER 120 Ca 0.21 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1jx1 h SER 120 Cb -0.05 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.79 1jx1 h SER 120 CO -0.06 0.98 0.00 1.33 -0.87 0.00 0.00 176.83 178.21 1jx1 n VAL 121 N -4.30 0.38 -2.19 0.95 0.24 -0.68 -4.88 118.33 107.85 1jx1 n VAL 121 Ca 0.02 -0.27 -0.15 0.00 -2.04 0.00 0.00 64.34 61.91 1jx1 n VAL 121 Cb 0.30 -0.08 -0.01 0.00 -1.47 0.00 0.00 33.84 32.58 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 0.56 -0.05 2.61 7.63 0.00 -1.02 -4.96 105.19 109.96 1jx1 n GLY 122 Ca 0.06 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.85 1.99 -3.42 2.61 -2.24 0.30 -4.92 114.28 104.73 1jx1 n THR 123 Ca -0.17 -4.74 -0.26 0.00 -2.27 0.00 0.00 64.05 56.61 1jx1 n THR 123 Cb 0.62 -0.82 -0.09 0.00 -2.10 0.00 0.00 70.33 67.94 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 -0.23 1.37 -1.14 4.78 9.36 -1.24 -4.72 117.16 125.34 1jx1 n TYR 124 Ca 0.29 -3.82 0.00 0.00 3.32 0.00 0.00 57.90 57.69 1jx1 n TYR 124 Cb 0.61 -0.34 0.00 0.00 -0.63 0.00 0.00 39.34 38.98 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 1.62 1.18 0.20 2.98 0.00 -1.26 -4.88 105.19 105.03 1jx1 n GLY 125 Ca 0.25 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.35 -0.90 1.61 3.32 -1.99 -2.53 116.42 115.58 1jx1 h ASP 126 Ca 0.00 -0.19 0.26 0.00 0.02 0.00 0.00 57.03 57.12 1jx1 h ASP 126 Cb 0.00 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 1jx1 h ASP 126 CO 0.00 0.05 0.72 0.00 -1.72 0.00 0.00 179.24 178.29 1jx1 h ALA 127 N -0.34 2.79 0.01 3.45 0.00 -1.98 0.58 119.26 123.76 1jx1 h ALA 127 Ca -0.04 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.59 1jx1 h ALA 127 Cb 0.52 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1jx1 h ALA 127 CO 0.07 -1.18 -1.29 0.93 0.00 0.00 0.00 179.25 177.78 1jx1 h GLU 128 N 0.00 0.02 -0.08 0.00 3.07 -1.90 -1.86 114.58 113.84 1jx1 h GLU 128 Ca 0.43 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 59.11 1jx1 h GLU 128 Cb 1.85 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.76 1jx1 h GLU 128 CO -0.00 0.83 -0.57 0.00 -1.40 0.00 0.00 179.01 177.86 1jx1 h ALA 129 N 0.96 0.89 0.02 3.43 0.00 0.47 -0.65 119.26 124.37 1jx1 h ALA 129 Ca -0.13 -0.52 -0.21 0.00 0.00 0.00 0.00 54.91 54.05 1jx1 h ALA 129 Cb 1.88 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 1jx1 h ALA 129 CO 0.12 0.71 -0.94 0.93 0.00 0.00 0.00 179.25 180.06 1jx1 h GLU 130 N 0.18 0.19 -0.74 0.00 5.08 -0.84 -1.49 114.58 116.97 1jx1 h GLU 130 Ca -0.00 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 1jx1 h GLU 130 Cb 1.06 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1jx1 h GLU 130 CO 0.09 1.00 0.23 0.00 -1.00 0.00 0.00 179.01 179.33 1jx1 h ALA 131 N 0.91 0.97 -0.05 3.43 0.00 -1.04 -1.12 119.26 122.38 1jx1 h ALA 131 Ca -0.05 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1jx1 h ALA 131 Cb 1.60 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1jx1 h ALA 131 CO 0.14 0.66 -0.54 0.52 0.00 0.00 0.00 179.25 180.03 1jx1 h MET 132 N 1.10 0.14 -0.13 0.00 2.86 -0.97 -1.32 114.93 116.60 1jx1 h MET 132 Ca 0.24 -0.08 -0.16 0.00 -2.06 0.00 0.00 59.70 57.64 1jx1 h MET 132 Cb 0.31 0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.99 1jx1 h MET 132 CO -0.01 0.64 -0.52 0.37 1.06 0.00 0.00 176.91 178.45 1jx1 h GLN 133 N 0.11 0.59 0.00 1.72 5.75 -0.79 -1.19 115.11 121.29 1jx1 h GLN 133 Ca -0.00 -0.46 -0.06 0.00 -0.15 0.00 0.00 58.65 57.98 1jx1 h GLN 133 Cb 0.99 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.62 1jx1 h GLN 133 CO 0.08 1.08 -0.27 -0.22 -2.65 0.00 0.00 178.83 176.85 1jx1 h LYS 134 N 0.23 0.00 -0.20 1.69 3.64 -1.20 -0.05 116.57 120.68 1jx1 h LYS 134 Ca -0.03 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 1jx1 h LYS 134 Cb 1.16 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1jx1 h LYS 134 CO 0.11 0.27 -0.22 0.35 -2.27 0.00 0.00 179.45 177.69 1jx1 h PHE 135 N 0.00 0.61 0.29 1.91 3.57 -1.06 -2.77 116.94 119.48 1jx1 h PHE 135 Ca -0.00 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.30 1jx1 h PHE 135 Cb 0.54 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1jx1 h PHE 135 CO 0.00 0.86 -0.14 0.00 -2.23 0.00 0.00 178.31 176.81 1jx1 h ALA 136 N 0.64 -0.39 -0.91 2.41 0.00 -0.61 -3.07 119.26 117.34 1jx1 h ALA 136 Ca 0.03 -0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.05 1jx1 h ALA 136 Cb 0.77 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.58 1jx1 h ALA 136 CO 0.05 -0.67 0.42 1.49 0.00 0.00 0.00 179.25 180.53 1jx1 h GLU 137 N -0.47 0.41 0.00 0.00 4.57 -1.03 0.82 114.58 118.88 1jx1 h GLU 137 Ca -0.04 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1jx1 h GLU 137 Cb 0.35 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1jx1 h GLU 137 CO 0.06 0.27 0.00 0.00 -1.18 0.00 0.00 179.01 178.17 1jx1 h ALA 138 N 1.71 1.00 0.00 2.92 0.00 -1.38 -2.79 119.26 120.71 1jx1 h ALA 138 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1jx1 h ALA 138 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1jx1 h ALA 138 CO -0.52 0.00 -1.09 1.19 0.00 0.00 0.00 179.25 178.83 1jx1 n PHE 139 N -2.83 0.26 -0.06 0.00 3.01 0.28 -4.48 117.46 113.64 1jx1 n PHE 139 Ca -0.02 0.07 -0.04 0.00 1.01 0.00 0.00 57.45 58.48 1jx1 n PHE 139 Cb 0.11 -0.43 0.19 0.00 -0.01 0.00 0.00 39.48 39.33 1jx1 n PHE 139 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1jx1 h LYS 140 N 0.00 0.67 -0.00 -1.08 1.57 -1.50 -2.85 116.57 113.38 1jx1 h LYS 140 Ca 0.00 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1jx1 h LYS 140 Cb 0.74 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1jx1 h LYS 140 CO 0.00 0.74 -0.01 -2.30 -0.57 0.00 0.00 179.45 177.31 1jx1 n PRO 141 N -4.20 0.76 -4.10 3.15 -0.02 -1.26 -4.79 135.00 124.54 1jx1 n PRO 141 Ca 0.01 -0.04 -0.30 0.00 -2.02 0.00 0.00 63.50 61.15 1jx1 n PRO 141 Cb 0.33 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.23 1jx1 n PRO 141 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jx1 s VAL 142 N -2.27 4.29 -0.01 -1.45 1.01 -1.07 -5.05 120.40 115.84 1jx1 s VAL 142 Ca 0.38 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1jx1 s VAL 142 Cb 0.21 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.54 1jx1 s VAL 142 CO 0.41 0.14 -0.10 0.21 0.00 0.00 0.00 175.10 175.76 1jx1 s ASN 143 N -2.30 1.19 -0.76 3.32 2.47 -1.26 -0.26 114.94 117.33 1jx1 s ASN 143 Ca 0.27 -0.18 -0.05 0.00 0.42 0.00 0.00 52.86 53.32 1jx1 s ASN 143 Cb -0.12 -0.18 0.19 0.00 -1.45 0.00 0.00 41.25 39.69 1jx1 s ASN 143 CO 0.20 0.11 0.63 -0.36 -3.72 0.00 0.00 177.10 173.95 1jx1 s PHE 144 N -0.12 3.64 1.06 0.43 0.40 0.19 -4.86 117.98 118.73 1jx1 s PHE 144 Ca 0.02 -2.69 -0.18 0.00 -0.60 0.00 0.00 56.93 53.48 1jx1 s PHE 144 Cb -0.05 -3.35 0.27 0.00 0.51 0.00 0.00 43.02 40.40 1jx1 s PHE 144 CO -0.00 -0.84 0.80 -0.35 0.70 0.00 0.00 175.22 175.53 1jx1 n PRO 145 N 3.18 -3.37 -1.76 0.24 -0.04 -1.26 -1.28 135.00 130.71 1jx1 n PRO 145 Ca 0.14 -1.30 -0.40 0.00 -0.04 0.00 0.00 63.50 61.90 1jx1 n PRO 145 Cb 0.39 -1.39 0.02 0.00 -0.04 0.00 0.00 33.50 32.48 1jx1 n PRO 145 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1jx1 n PRO 146 N -4.53 2.22 0.00 0.54 -0.02 -1.26 -2.18 135.00 129.76 1jx1 n PRO 146 Ca 0.12 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1jx1 n PRO 146 Cb 0.47 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 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 0.59 2.91 3.68 -1.23 0.00 -0.47 -4.93 105.19 105.75 1jx1 n GLY 147 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1jx1 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jx1 n ALA 148 N -0.24 0.26 -2.33 4.61 0.00 -0.93 -3.26 120.51 118.62 1jx1 n ALA 148 Ca 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 1jx1 n ALA 148 Cb 0.00 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 17.11 1jx1 n ALA 148 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1jx1 s SER 149 N -1.79 1.47 -0.02 0.00 0.01 0.04 -2.06 113.70 111.35 1jx1 s SER 149 Ca 0.76 -0.92 0.07 0.00 1.31 0.00 0.00 55.95 57.17 1jx1 s SER 149 Cb -0.33 0.03 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 1jx1 s SER 149 CO 0.48 -0.34 -0.24 0.54 0.41 0.00 0.00 173.24 174.09 1jx1 s VAL 150 N -3.01 1.88 -0.12 3.43 0.11 -0.14 -1.38 120.40 121.17 1jx1 s VAL 150 Ca 0.10 -1.01 0.03 0.00 -2.93 0.00 0.00 61.98 58.17 1jx1 s VAL 150 Cb 0.01 -1.56 0.01 0.00 -1.53 0.00 0.00 36.38 33.30 1jx1 s VAL 150 CO -0.01 0.53 -0.22 -0.36 -3.33 0.00 0.00 175.10 171.71 1jx1 s PHE 151 N -0.50 2.57 -0.33 1.54 0.08 0.17 -0.87 117.98 120.64 1jx1 s PHE 151 Ca 0.07 -1.20 -0.06 0.00 0.12 0.00 0.00 56.93 55.86 1jx1 s PHE 151 Cb -0.10 -1.74 0.03 0.00 -0.57 0.00 0.00 43.02 40.64 1jx1 s PHE 151 CO -0.00 -0.53 0.10 0.71 -0.10 0.00 0.00 175.22 175.39 1jx1 s TYR 152 N 0.65 3.23 -0.68 0.36 1.51 0.14 -2.15 117.35 120.42 1jx1 s TYR 152 Ca -0.11 -1.35 -0.10 0.00 -1.01 0.00 0.00 57.07 54.49 1jx1 s TYR 152 Cb -0.16 -2.26 0.18 0.00 -0.11 0.00 0.00 41.96 39.60 1jx1 s TYR 152 CO 0.02 -0.70 0.58 0.50 -1.11 0.00 0.00 175.55 174.84 1jx1 s ARG 153 N 1.42 3.06 -0.63 -0.62 3.52 0.34 -0.57 118.95 125.47 1jx1 s ARG 153 Ca -0.01 -2.28 -0.28 0.00 -0.13 0.00 0.00 55.73 53.03 1jx1 s ARG 153 Cb -0.19 -4.14 0.02 0.00 -1.56 0.00 0.00 34.95 29.09 1jx1 s ARG 153 CO 0.03 -1.25 1.30 -1.14 -0.81 0.00 0.00 175.30 173.43 1jx1 s GLN 154 N 0.46 3.31 0.30 5.12 0.74 -0.35 -0.84 119.66 128.40 1jx1 s GLN 154 Ca 0.14 0.13 -0.27 0.00 0.05 0.00 0.00 55.36 55.41 1jx1 s GLN 154 Cb -0.18 -4.11 -0.10 0.00 1.10 0.00 0.00 33.01 29.72 1jx1 s GLN 154 CO -0.05 -1.95 0.94 0.45 -0.55 0.00 0.00 175.29 174.13 1jx1 s SER 155 N 3.78 7.41 0.00 6.67 0.15 -0.35 -1.92 113.70 129.44 1jx1 s SER 155 Ca 0.43 1.86 0.15 0.00 0.70 0.00 0.00 55.95 59.09 1jx1 s SER 155 Cb -0.09 -2.58 0.85 0.00 -1.71 0.00 0.00 66.02 62.49 1jx1 s SER 155 CO 0.21 -0.01 1.32 -0.81 1.20 0.00 0.00 173.24 175.15 1jx1 n PRO 156 N 0.79 0.41 -0.87 5.44 -0.04 -1.26 -2.41 135.00 137.06 1jx1 n PRO 156 Ca 0.01 0.03 0.07 0.00 -0.04 0.00 0.00 63.50 63.57 1jx1 n PRO 156 Cb 0.49 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.84 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 -1.06 5.55 -0.69 3.54 8.00 -1.26 -4.94 116.55 125.68 1jx1 n ASP 157 Ca 0.10 -2.96 -0.04 0.00 0.71 0.00 0.00 54.79 52.60 1jx1 n ASP 157 Cb 0.06 -0.68 0.01 0.00 -0.02 0.00 0.00 41.12 40.49 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 0.47 0.46 3.07 0.44 0.00 -1.01 -4.96 105.19 103.66 1jx1 n GLY 158 Ca 0.28 -0.64 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.60 0.79 -0.34 -0.61 1.01 -1.24 -2.57 121.20 115.65 1jx1 s ILE 159 Ca 0.05 -0.77 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 1jx1 s ILE 159 Cb -0.02 -0.73 0.03 0.00 0.01 0.00 0.00 42.46 41.75 1jx1 s ILE 159 CO 0.06 -0.02 0.13 -0.22 0.00 0.00 0.00 174.94 174.88 1jx1 s LEU 160 N -0.88 4.31 -0.00 2.97 2.96 -0.03 -1.21 118.68 126.79 1jx1 s LEU 160 Ca -0.01 -0.99 -0.20 0.00 -0.22 0.00 0.00 54.13 52.71 1jx1 s LEU 160 Cb -0.07 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 1jx1 s LEU 160 CO 0.00 -0.31 0.60 -0.83 -1.32 0.00 0.00 176.35 174.49 1jx1 s GLY 161 N 1.47 2.61 -0.03 7.98 0.00 -0.02 -0.90 107.32 118.43 1jx1 s GLY 161 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 44.72 44.83 1jx1 s GLY 161 CO 0.04 0.74 -0.26 1.08 0.00 0.00 0.00 173.10 174.70 1jx1 s LEU 162 N -0.23 2.05 -0.06 0.66 1.43 -0.51 -0.50 118.68 121.52 1jx1 s LEU 162 Ca 0.31 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.77 1jx1 s LEU 162 Cb -0.18 -1.33 0.03 0.00 0.03 0.00 0.00 46.19 44.74 1jx1 s LEU 162 CO 0.17 0.30 0.38 -0.44 0.23 0.00 0.00 176.35 177.00 1jx1 s SER 163 N -0.51 -0.32 0.09 2.29 0.01 -0.91 0.12 113.70 114.46 1jx1 s SER 163 Ca 0.07 0.36 0.07 0.00 1.31 0.00 0.00 55.95 57.76 1jx1 s SER 163 Cb -0.11 0.48 -0.03 0.00 0.21 0.00 0.00 66.02 66.57 1jx1 s SER 163 CO -0.00 -0.39 -0.17 -0.36 0.41 0.00 0.00 173.24 172.73 1jx1 s PHE 164 N -0.90 1.47 -0.03 2.43 0.40 -1.26 0.44 117.98 120.53 1jx1 s PHE 164 Ca -0.10 -0.44 -0.05 0.00 -0.60 0.00 0.00 56.93 55.74 1jx1 s PHE 164 Cb -0.04 -0.82 0.01 0.00 0.51 0.00 0.00 43.02 42.68 1jx1 s PHE 164 CO 0.04 0.13 0.12 0.45 0.70 0.00 0.00 175.22 176.65 1jx1 s SER 165 N -1.83 -0.06 0.34 1.36 0.15 -0.48 -4.80 113.70 108.37 1jx1 s SER 165 Ca 0.02 0.08 0.24 0.00 0.70 0.00 0.00 55.95 57.00 1jx1 s SER 165 Cb -0.10 0.23 1.23 0.00 -1.71 0.00 0.00 66.02 65.67 1jx1 s SER 165 CO 0.03 -0.14 1.74 -0.65 1.20 0.00 0.00 173.24 175.42 1jx1 h PRO 166 N 5.46 0.00 0.00 5.44 0.11 -1.91 0.15 132.00 141.24 1jx1 h PRO 166 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1jx1 h PRO 166 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1jx1 h PRO 166 CO 0.42 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.81 1jx1 n ASP 167 N -2.35 0.00 -1.46 -2.05 5.68 -1.26 -3.77 116.55 111.34 1jx1 n ASP 167 Ca -0.01 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.35 1jx1 n ASP 167 Cb 0.10 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.38 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 1.83 -3.01 2.12 -2.24 -1.20 -2.91 114.28 108.88 1jx1 n THR 168 Ca 0.00 -1.01 -0.34 0.00 -2.27 0.00 0.00 64.05 60.43 1jx1 n THR 168 Cb 0.00 -0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.69 6.95 -0.13 3.42 1.04 -1.26 -5.01 113.70 118.02 1jx1 s SER 169 Ca 0.41 1.48 -0.29 0.00 0.48 0.00 0.00 55.95 58.03 1jx1 s SER 169 Cb 0.29 -2.45 -0.02 0.00 0.10 0.00 0.00 66.02 63.95 1jx1 s SER 169 CO 0.15 -0.17 1.24 -0.51 0.98 0.00 0.00 173.24 174.93 1jx1 s ILE 170 N -1.88 4.29 0.68 -1.02 1.10 -1.26 -4.78 121.20 118.33 1jx1 s ILE 170 Ca 0.53 1.57 -0.12 0.00 -0.51 0.00 0.00 60.65 62.13 1jx1 s ILE 170 Cb -0.12 -4.01 -0.00 0.00 0.15 0.00 0.00 42.46 38.47 1jx1 s ILE 170 CO 0.18 -0.09 1.06 -2.16 -2.11 0.00 0.00 174.94 171.81 1jx1 s PRO 171 N 3.07 3.00 0.08 3.50 0.04 -1.26 -4.99 135.00 138.45 1jx1 s PRO 171 Ca 0.55 1.00 -0.14 0.00 0.04 0.00 0.00 61.00 62.44 1jx1 s PRO 171 Cb -0.22 -2.00 -0.16 0.00 0.04 0.00 0.00 34.50 32.16 1jx1 s PRO 171 CO 0.17 -1.05 1.29 0.93 0.04 0.00 0.00 177.00 178.38 1jx1 h GLU 172 N -0.51 0.71 -6.49 4.56 4.39 -1.96 -3.42 114.58 111.87 1jx1 h GLU 172 Ca -0.44 -0.57 -0.63 0.00 0.34 0.00 0.00 59.36 58.05 1jx1 h GLU 172 Cb 1.21 0.11 -0.18 0.00 -0.10 0.00 0.00 28.75 29.79 1jx1 h GLU 172 CO 0.57 1.18 -0.81 0.15 -1.16 0.00 0.00 179.01 178.94 1jx1 s LYS 173 N -3.76 1.49 0.54 2.33 1.02 -1.26 -4.28 119.74 115.82 1jx1 s LYS 173 Ca -0.11 -1.52 -0.02 0.00 0.02 0.00 0.00 55.97 54.34 1jx1 s LYS 173 Cb 0.08 -1.76 0.01 0.00 -0.52 0.00 0.00 37.83 35.64 1jx1 s LYS 173 CO 0.88 0.38 0.79 -1.21 -0.92 0.00 0.00 175.35 175.27 1jx1 s GLU 174 N -2.73 2.84 -0.01 1.68 2.02 -1.26 -4.79 118.70 116.45 1jx1 s GLU 174 Ca 0.20 -0.37 0.20 0.00 0.02 0.00 0.00 54.97 55.02 1jx1 s GLU 174 Cb -0.07 -2.42 -0.25 0.00 0.10 0.00 0.00 34.13 31.48 1jx1 s GLU 174 CO 0.10 -0.57 0.67 0.00 0.02 0.00 0.00 175.26 175.47 1jx1 n ALA 175 N -2.36 3.80 -3.61 5.21 0.00 0.32 -4.95 120.51 118.92 1jx1 n ALA 175 Ca 0.04 -0.52 -0.07 0.00 0.00 0.00 0.00 53.44 52.90 1jx1 n ALA 175 Cb 0.58 -0.70 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 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 -3.06 -2.02 -0.24 0.00 0.00 -1.22 -5.02 121.76 110.19 1jx1 s ALA 176 Ca 0.01 1.73 0.02 0.00 0.00 0.00 0.00 51.96 53.72 1jx1 s ALA 176 Cb 0.14 -1.11 0.06 0.00 0.00 0.00 0.00 23.12 22.20 1jx1 s ALA 176 CO 0.81 -0.27 -0.10 -0.51 0.00 0.00 0.00 175.76 175.69 1jx1 s LEU 177 N -1.00 3.05 -0.65 0.00 1.43 -1.26 -1.43 118.68 118.82 1jx1 s LEU 177 Ca 0.03 -1.26 -0.23 0.00 -1.03 0.00 0.00 54.13 51.64 1jx1 s LEU 177 Cb -0.01 -1.43 0.06 0.00 0.03 0.00 0.00 46.19 44.84 1jx1 s LEU 177 CO -0.03 -0.19 1.00 -0.63 0.23 0.00 0.00 176.35 176.74 1jx1 s ILE 178 N 1.21 4.25 -1.37 -0.59 -1.09 -0.08 -4.92 121.20 118.61 1jx1 s ILE 178 Ca -0.07 -0.15 -0.11 0.00 -2.23 0.00 0.00 60.65 58.09 1jx1 s ILE 178 Cb -0.19 -4.69 0.11 0.00 -1.58 0.00 0.00 42.46 36.10 1jx1 s ILE 178 CO -0.06 -1.46 2.07 -0.62 -1.23 0.00 0.00 174.94 173.64 1jx1 n GLU 179 N 7.90 3.35 -3.76 2.79 1.02 -1.26 -0.85 120.64 129.83 1jx1 n GLU 179 Ca -0.02 -3.11 -0.13 0.00 -0.02 0.00 0.00 57.16 53.88 1jx1 n GLU 179 Cb 0.46 -3.06 -0.14 0.00 -0.02 0.00 0.00 31.44 28.68 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 1.82 -0.12 0.00 1.62 3.84 -1.06 -4.98 114.94 116.06 1jx1 s ASN 180 Ca 0.44 0.30 -0.14 0.00 0.21 0.00 0.00 52.86 53.67 1jx1 s ASN 180 Cb 0.12 0.22 -0.08 0.00 -0.55 0.00 0.00 41.25 40.96 1jx1 s ASN 180 CO -0.04 -0.13 0.86 0.50 -2.79 0.00 0.00 177.10 175.50 1jx1 h LYS 181 N 6.96 -0.49 -1.10 0.43 1.63 -1.89 -1.79 116.57 120.32 1jx1 h LYS 181 Ca -0.39 0.03 0.32 0.00 -0.85 0.00 0.00 60.65 59.76 1jx1 h LYS 181 Cb 1.15 0.11 -0.12 0.00 -0.60 0.00 0.00 32.23 32.78 1jx1 h LYS 181 CO 0.42 -0.33 0.69 0.00 -3.45 0.00 0.00 179.45 176.79 1jx1 h ALA 182 N -1.57 2.27 0.04 5.00 0.00 -1.93 -0.58 119.26 122.50 1jx1 h ALA 182 Ca -0.05 0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 1jx1 h ALA 182 Cb 0.39 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1jx1 h ALA 182 CO 0.09 -0.79 -1.17 0.28 0.00 0.00 0.00 179.25 177.66 1jx1 h VAL 183 N 0.31 1.53 -0.05 0.00 2.07 -1.92 -3.30 116.25 114.91 1jx1 h VAL 183 Ca 0.69 -3.22 0.01 0.00 0.82 0.00 0.00 66.70 65.00 1jx1 h VAL 183 Cb 1.80 2.82 -0.00 0.00 -1.52 0.00 0.00 31.29 34.39 1jx1 h VAL 183 CO -0.41 0.90 0.06 0.77 0.02 0.00 0.00 177.57 178.91 1jx1 h SER 184 N 0.02 0.00 -0.00 0.57 4.64 -0.17 -2.06 113.55 116.54 1jx1 h SER 184 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1jx1 h SER 184 Cb 1.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 1jx1 h SER 184 CO 0.14 0.00 -0.60 -1.54 -0.87 0.00 0.00 176.83 173.96 1jx1 n SER 185 N -3.70 1.09 0.03 4.97 3.41 -1.23 -4.70 113.62 113.48 1jx1 n SER 185 Ca -0.02 -1.04 -0.10 0.00 -0.26 0.00 0.00 58.87 57.45 1jx1 n SER 185 Cb 0.15 0.81 -0.04 0.00 -0.26 0.00 0.00 64.21 64.87 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 2.49 -0.19 -0.60 7.33 0.00 -1.44 -2.14 119.26 124.71 1jx1 h ALA 186 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1jx1 h ALA 186 Cb 0.45 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1jx1 h ALA 186 CO 0.00 -0.67 0.33 0.28 0.00 0.00 0.00 179.25 179.19 1jx1 h VAL 187 N -0.28 0.98 0.00 0.00 2.07 -1.84 -1.47 116.25 115.71 1jx1 h VAL 187 Ca 0.07 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 1jx1 h VAL 187 Cb 0.38 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1jx1 h VAL 187 CO -0.22 0.11 -0.24 0.25 0.02 0.00 0.00 177.57 177.50 1jx1 h LEU 188 N 0.63 0.00 0.35 2.57 5.85 -1.86 -3.03 115.31 119.83 1jx1 h LEU 188 Ca 0.26 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1jx1 h LEU 188 Cb 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1jx1 h LEU 188 CO -0.16 0.24 -0.17 -0.08 -0.34 0.00 0.00 178.44 177.93 1jx1 h GLU 189 N 0.00 -0.46 -0.01 1.25 4.57 -0.59 -0.75 114.58 118.59 1jx1 h GLU 189 Ca -0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1jx1 h GLU 189 Cb 0.59 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1jx1 h GLU 189 CO 0.03 -0.20 0.01 0.00 -1.18 0.00 0.00 179.01 177.68 1jx1 h THR 190 N -0.66 0.47 0.00 0.32 1.03 -1.39 1.77 112.91 114.45 1jx1 h THR 190 Ca -0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.33 1jx1 h THR 190 Cb 0.47 0.99 -0.00 0.00 -1.07 0.00 0.00 68.15 68.54 1jx1 h THR 190 CO 0.08 0.00 -0.17 0.24 -0.01 0.00 0.00 175.52 175.66 1jx1 h MET 191 N 0.00 0.00 -0.07 0.00 2.86 -1.37 -3.41 114.93 112.94 1jx1 h MET 191 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1jx1 h MET 191 Cb 0.03 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.64 1jx1 h MET 191 CO -0.00 0.62 -0.54 0.44 1.06 0.00 0.00 176.91 178.49 1jx1 n ILE 192 N -4.64 2.20 -2.88 -1.22 -5.35 -0.31 -4.83 119.36 102.32 1jx1 n ILE 192 Ca -0.09 -3.30 -0.20 0.00 -0.27 0.00 0.00 62.75 58.89 1jx1 n ILE 192 Cb 0.34 -0.30 0.04 0.00 -1.74 0.00 0.00 39.64 37.98 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 -3.26 1.83 0.14 3.28 0.00 0.60 -4.86 107.32 105.06 1jx1 s GLY 193 Ca 0.39 -1.75 -0.30 0.00 0.00 0.00 0.00 44.72 43.06 1jx1 s GLY 193 CO -0.06 -1.41 1.56 -2.09 0.00 0.00 0.00 173.10 171.10 1jx1 h GLU 194 N 0.22 -0.38 -1.96 2.90 4.81 -1.96 -2.42 114.58 115.79 1jx1 h GLU 194 Ca -0.37 0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 58.77 1jx1 h GLU 194 Cb 1.28 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.71 1jx1 h GLU 194 CO 0.44 -0.26 -0.07 0.72 -0.73 0.00 0.00 179.01 179.12 1jx1 n HIS 195 N -5.41 0.22 -3.74 0.92 8.25 -1.26 -4.85 115.22 109.36 1jx1 n HIS 195 Ca -0.03 -1.30 -0.37 0.00 -0.26 0.00 0.00 57.72 55.77 1jx1 n HIS 195 Cb 0.35 -0.95 -0.12 0.00 1.12 0.00 0.00 29.99 30.39 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 0.07 3.18 0.00 -1.41 0.00 -0.91 -4.95 121.76 117.75 1jx1 s ALA 196 Ca 0.28 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1jx1 s ALA 196 Cb 0.15 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1jx1 s ALA 196 CO -0.01 -0.53 0.81 1.33 0.00 0.00 0.00 175.76 177.36 1jx1 n VAL 197 N 4.93 0.00 -2.15 0.00 0.24 -1.26 -4.51 118.33 115.58 1jx1 n VAL 197 Ca -0.16 1.31 -0.42 0.00 -2.04 0.00 0.00 64.34 63.03 1jx1 n VAL 197 Cb 0.51 -2.12 -0.03 0.00 -1.47 0.00 0.00 33.84 30.74 1jx1 n VAL 197 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1jx1 s SER 198 N -2.38 6.78 0.00 -1.34 0.15 -1.26 -4.90 113.70 110.75 1jx1 s SER 198 Ca 0.00 2.12 0.26 0.00 0.70 0.00 0.00 55.95 59.02 1jx1 s SER 198 Cb 0.00 -2.55 0.60 0.00 -1.71 0.00 0.00 66.02 62.37 1jx1 s SER 198 CO 0.00 -0.81 1.48 -0.81 1.20 0.00 0.00 173.24 174.29 1jx1 n PRO 199 N 6.23 1.41 -0.35 5.44 -0.04 -1.26 -4.42 135.00 142.01 1jx1 n PRO 199 Ca 0.15 -0.97 0.26 0.00 -0.04 0.00 0.00 63.50 62.90 1jx1 n PRO 199 Cb 0.43 -1.48 0.55 0.00 -0.04 0.00 0.00 33.50 32.96 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 2.37 0.38 1.01 3.54 2.03 -1.95 0.69 116.42 124.50 1jx1 h ASP 200 Ca 0.00 0.09 -0.12 0.00 -0.73 0.00 0.00 57.03 56.27 1jx1 h ASP 200 Cb 0.63 0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 39.15 1jx1 h ASP 200 CO 0.00 0.03 -0.58 0.25 -1.03 0.00 0.00 179.24 177.90 1jx1 h LEU 201 N 0.31 0.00 -0.13 0.15 7.12 -1.80 -2.95 115.31 118.01 1jx1 h LEU 201 Ca 0.64 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 58.47 1jx1 h LEU 201 Cb 1.75 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 41.89 1jx1 h LEU 201 CO -0.31 0.58 -0.62 0.11 -0.13 0.00 0.00 178.44 178.08 1jx1 h LYS 202 N 0.00 0.65 -0.55 1.25 1.57 0.06 -2.81 116.57 116.74 1jx1 h LYS 202 Ca -0.01 -0.53 -0.09 0.00 -1.87 0.00 0.00 60.65 58.16 1jx1 h LYS 202 Cb 1.25 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.64 1jx1 h LYS 202 CO 0.08 1.14 -0.01 0.00 -0.57 0.00 0.00 179.45 180.10 1jx1 h ARG 203 N 0.32 0.95 -0.48 3.15 3.08 -1.38 0.17 114.38 120.18 1jx1 h ARG 203 Ca -0.04 -0.28 0.03 0.00 0.07 0.00 0.00 59.98 59.75 1jx1 h ARG 203 Cb 1.26 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.18 1jx1 h ARG 203 CO 0.13 0.94 0.27 0.00 -1.07 0.00 0.00 179.97 180.24 1jx1 h LEU 205 N 0.54 -0.12 -2.13 0.00 3.38 -1.21 -2.61 115.31 113.16 1jx1 h LEU 205 Ca 0.20 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.96 1jx1 h LEU 205 Cb 0.05 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1jx1 h LEU 205 CO -0.11 0.23 0.22 0.00 0.09 0.00 0.00 178.44 178.87 1jx1 h ALA 206 N 0.38 2.01 0.00 1.53 0.00 -0.38 -2.08 119.26 120.72 1jx1 h ALA 206 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jx1 h ALA 206 Cb 0.39 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jx1 h ALA 206 CO 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 179.25 178.92 1jx1 h ALA 207 N 1.79 0.00 -0.01 0.00 0.00 -0.44 -3.36 119.26 117.24 1jx1 h ALA 207 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1jx1 h ALA 207 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1jx1 h ALA 207 CO -0.00 0.00 -0.13 2.89 0.00 0.00 0.00 179.25 182.01 1jx1 n ARG 208 N -4.68 1.16 0.13 0.00 1.85 -1.00 -4.23 116.66 109.90 1jx1 n ARG 208 Ca -0.06 -0.64 -0.24 0.00 -1.00 0.00 0.00 57.85 55.90 1jx1 n ARG 208 Cb 0.27 -1.49 -0.16 0.00 -1.05 0.00 0.00 32.46 30.04 1jx1 n ARG 208 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 1jx1 h LEU 209 N 1.57 0.80 -0.88 2.89 -0.00 -1.58 -3.34 115.31 114.76 1jx1 h LEU 209 Ca 0.00 -0.91 0.19 0.00 -0.00 0.00 0.00 57.88 57.16 1jx1 h LEU 209 Cb 0.47 -0.26 -0.11 0.00 -0.00 0.00 0.00 40.66 40.76 1jx1 h LEU 209 CO 0.00 1.73 0.42 -0.65 -0.00 0.00 0.00 178.44 179.94 1jx1 h PRO 210 N 0.14 0.49 0.11 1.13 0.11 -1.77 0.14 132.00 132.35 1jx1 h PRO 210 Ca -0.28 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.81 1jx1 h PRO 210 Cb 2.16 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 33.14 1jx1 h PRO 210 CO 0.26 0.32 -0.13 0.00 -0.21 0.00 0.00 178.00 178.24 1jx1 h ALA 211 N 1.65 -0.24 -0.38 -0.75 0.00 -1.82 -1.54 119.26 116.17 1jx1 h ALA 211 Ca 0.52 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 1jx1 h ALA 211 Cb 0.90 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1jx1 h ALA 211 CO -0.46 -0.66 0.07 -0.07 0.00 0.00 0.00 179.25 178.14 1jx1 h LEU 212 N -0.28 0.59 -1.57 0.00 3.38 -1.31 -3.00 115.31 113.13 1jx1 h LEU 212 Ca 0.01 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.76 1jx1 h LEU 212 Cb 0.28 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1jx1 h LEU 212 CO -0.05 0.69 0.33 -0.07 0.09 0.00 0.00 178.44 179.43 1jx1 h LEU 213 N 0.47 0.48 -0.09 1.67 3.38 -0.68 -2.06 115.31 118.49 1jx1 h LEU 213 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1jx1 h LEU 213 Cb 0.34 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1jx1 h LEU 213 CO 0.01 0.33 0.00 0.59 0.09 0.00 0.00 178.44 179.46 1jx1 n ASN 214 N -4.47 0.40 -3.50 -0.43 5.03 -0.59 -4.35 115.26 107.35 1jx1 n ASN 214 Ca 0.06 0.55 -0.27 0.00 0.87 0.00 0.00 54.58 55.79 1jx1 n ASN 214 Cb 0.14 -0.65 -0.09 0.00 -1.02 0.00 0.00 39.78 38.16 1jx1 n ASN 214 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1jx1 n GLU 215 N -1.89 2.30 0.00 3.52 0.28 -0.77 -5.07 120.64 119.00 1jx1 n GLU 215 Ca 0.05 -4.57 0.00 0.00 -0.16 0.00 0.00 57.16 52.49 1jx1 n GLU 215 Cb 0.34 -2.22 0.00 0.00 1.43 0.00 0.00 31.44 31.00 1jx1 n GLU 215 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jx1 n GLY 216 N 1.10 -0.26 3.59 -1.84 0.00 -1.26 -4.58 105.19 101.94 1jx1 n GLY 216 Ca 0.28 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1jx1 n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jx1 s ALA 217 N -1.66 3.43 0.48 4.61 0.00 -1.26 -4.61 121.76 122.75 1jx1 s ALA 217 Ca 0.00 -0.57 -0.20 0.00 0.00 0.00 0.00 51.96 51.18 1jx1 s ALA 217 Cb 0.00 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 1jx1 s ALA 217 CO 0.00 -1.51 1.03 0.12 0.00 0.00 0.00 175.76 175.40 1jx1 s PHE 218 N 3.21 3.03 -0.15 0.00 5.36 -1.26 -4.96 117.98 123.22 1jx1 s PHE 218 Ca 0.34 1.58 -0.13 0.00 -0.96 0.00 0.00 56.93 57.76 1jx1 s PHE 218 Cb -0.13 -3.05 0.04 0.00 -0.34 0.00 0.00 43.02 39.54 1jx1 s PHE 218 CO 0.17 -0.76 0.38 0.21 -1.46 0.00 0.00 175.22 173.77 1jx1 s LYS 219 N -3.21 0.44 0.00 10.12 2.20 -1.26 -4.00 119.74 124.03 1jx1 s LYS 219 Ca 0.67 0.55 0.00 0.00 -0.36 0.00 0.00 55.97 56.82 1jx1 s LYS 219 Cb -0.16 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.36 1jx1 s LYS 219 CO 0.19 -0.06 0.00 1.51 -0.36 0.00 0.00 175.35 176.63