#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxh s GLN 2 N 0.00 2.71 0.02 0.03 -2.07 -1.26 -4.94 119.66 114.16 1jxh s GLN 2 Ca 0.00 1.93 -0.30 0.00 -1.82 0.00 0.00 55.36 55.17 1jxh s GLN 2 Cb 0.00 -1.88 -0.05 0.00 -1.09 0.00 0.00 33.01 29.99 1jxh s GLN 2 CO 0.00 -1.44 1.17 1.03 -1.32 0.00 0.00 175.29 174.73 1jxh s ARG 3 N -3.40 4.43 -0.06 9.60 1.81 -1.26 -5.03 118.95 125.05 1jxh s ARG 3 Ca 0.80 1.69 0.04 0.00 -1.72 0.00 0.00 55.73 56.54 1jxh s ARG 3 Cb -0.34 -3.42 -0.00 0.00 -0.45 0.00 0.00 34.95 30.74 1jxh s ARG 3 CO 0.37 -0.28 -0.19 -1.50 -0.68 0.00 0.00 175.30 173.03 1jxh s ILE 4 N 1.36 1.59 -0.18 1.52 2.07 -1.26 -5.07 121.20 121.24 1jxh s ILE 4 Ca 0.57 -0.79 -0.05 0.00 -1.41 0.00 0.00 60.65 58.97 1jxh s ILE 4 Cb -0.27 -1.37 -0.03 0.00 0.13 0.00 0.00 42.46 40.92 1jxh s ILE 4 CO 0.27 0.45 0.01 0.20 -1.91 0.00 0.00 174.94 173.96 1jxh s ASN 5 N 0.14 5.12 -0.03 4.50 0.01 -1.26 -1.33 114.94 122.09 1jxh s ASN 5 Ca -0.08 -0.07 0.06 0.00 -0.71 0.00 0.00 52.86 52.07 1jxh s ASN 5 Cb -0.13 -1.86 -0.02 0.00 0.41 0.00 0.00 41.25 39.64 1jxh s ASN 5 CO 0.04 0.14 -0.21 0.00 -1.51 0.00 0.00 177.10 175.56 1jxh s ALA 6 N 0.53 2.38 -0.00 0.60 0.00 0.77 -1.11 121.76 124.92 1jxh s ALA 6 Ca -0.00 -1.07 0.07 0.00 0.00 0.00 0.00 51.96 50.97 1jxh s ALA 6 Cb -0.14 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 1jxh s ALA 6 CO 0.02 0.54 -0.23 -1.17 0.00 0.00 0.00 175.76 174.92 1jxh s LEU 7 N -0.69 2.27 -0.06 0.00 2.96 -0.29 -0.40 118.68 122.49 1jxh s LEU 7 Ca 0.11 -0.44 0.06 0.00 -0.22 0.00 0.00 54.13 53.63 1jxh s LEU 7 Cb -0.10 -1.39 -0.01 0.00 0.50 0.00 0.00 46.19 45.19 1jxh s LEU 7 CO -0.00 0.30 -0.23 0.28 -1.32 0.00 0.00 176.35 175.38 1jxh s THR 8 N -0.72 1.89 -0.32 3.68 -1.32 -0.64 -0.71 115.64 117.50 1jxh s THR 8 Ca 0.11 -0.97 0.03 0.00 -1.21 0.00 0.00 61.69 59.65 1jxh s THR 8 Cb -0.10 -1.60 0.09 0.00 -1.51 0.00 0.00 72.50 69.37 1jxh s THR 8 CO 0.01 0.53 0.02 -0.63 -2.21 0.00 0.00 174.62 172.34 1jxh s ILE 9 N -0.09 2.32 0.11 5.08 1.01 -0.39 -0.32 121.20 128.93 1jxh s ILE 9 Ca -0.04 -2.16 -0.07 0.00 0.00 0.00 0.00 60.65 58.39 1jxh s ILE 9 Cb -0.13 -2.63 0.02 0.00 0.01 0.00 0.00 42.46 39.73 1jxh s ILE 9 CO 0.04 -0.47 0.33 0.00 0.00 0.00 0.00 174.94 174.84 1jxh n ALA 10 N 4.32 -0.80 -1.98 9.38 0.00 -0.77 -0.57 120.51 130.08 1jxh n ALA 10 Ca -0.01 -0.42 -0.24 0.00 0.00 0.00 0.00 53.44 52.77 1jxh n ALA 10 Cb 0.42 0.29 0.11 0.00 0.00 0.00 0.00 19.45 20.27 1jxh n ALA 10 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jxh s GLY 11 N -2.07 1.76 0.30 0.00 0.00 -1.26 -1.13 107.32 104.93 1jxh s GLY 11 Ca 0.07 -1.64 0.08 0.00 0.00 0.00 0.00 44.72 43.23 1jxh s GLY 11 CO 0.03 -1.08 0.12 -0.51 0.00 0.00 0.00 173.10 171.66 1jxh s THR 12 N -3.19 3.45 -0.24 0.90 -4.23 -1.06 -0.57 115.64 110.70 1jxh s THR 12 Ca 0.66 -1.68 -0.04 0.00 -1.18 0.00 0.00 61.69 59.45 1jxh s THR 12 Cb -0.06 -3.03 0.09 0.00 1.34 0.00 0.00 72.50 70.85 1jxh s THR 12 CO 0.45 -0.27 0.16 -0.62 -0.54 0.00 0.00 174.62 173.79 1jxh s ASP 13 N -3.81 2.51 0.40 3.99 2.15 -1.26 -4.19 116.67 116.46 1jxh s ASP 13 Ca 0.35 -0.81 0.09 0.00 0.43 0.00 0.00 52.55 52.61 1jxh s ASP 13 Cb -0.05 -0.06 0.88 0.00 -0.30 0.00 0.00 42.92 43.39 1jxh s ASP 13 CO 0.23 -0.38 2.00 -0.65 -0.17 0.00 0.00 175.17 176.19 1jxh h PRO 14 N 8.37 0.56 0.00 4.34 0.11 -1.77 -0.51 132.00 143.10 1jxh h PRO 14 Ca -0.17 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1jxh h PRO 14 Cb 1.09 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1jxh h PRO 14 CO 0.35 0.37 0.00 -1.13 -0.21 0.00 0.00 178.00 177.38 1jxh n SER 15 N -4.47 0.00 -0.28 -2.05 3.41 -1.26 -4.88 113.62 104.08 1jxh n SER 15 Ca 0.08 -0.52 -0.04 0.00 -0.26 0.00 0.00 58.87 58.13 1jxh n SER 15 Cb 0.21 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 1jxh n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jxh n GLY 16 N 0.09 0.54 0.03 5.00 0.00 -0.20 -4.90 105.19 105.76 1jxh n GLY 16 Ca 0.13 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1jxh n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jxh n GLY 17 N -0.86 -1.02 0.00 -0.02 0.00 -1.26 -4.32 105.19 97.71 1jxh n GLY 17 Ca -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1jxh n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxh n ALA 18 N -2.37 0.00 -0.93 4.61 0.00 -1.26 -4.31 120.51 116.25 1jxh n ALA 18 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1jxh n ALA 18 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.16 1jxh n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jxh n GLY 19 N 2.09 0.94 0.30 0.00 0.00 -1.26 -1.50 105.19 105.76 1jxh n GLY 19 Ca 0.00 -0.78 0.17 0.00 0.00 0.00 0.00 46.02 45.42 1jxh n GLY 19 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1jxh h ILE 20 N 0.00 0.29 -0.23 -0.61 3.07 -1.14 -0.99 117.51 117.91 1jxh h ILE 20 Ca 0.00 -0.20 -0.02 0.00 1.55 0.00 0.00 64.86 66.19 1jxh h ILE 20 Cb 0.00 1.15 -0.01 0.00 -0.27 0.00 0.00 36.82 37.69 1jxh h ILE 20 CO 0.00 0.03 0.07 1.56 -1.05 0.00 0.00 178.15 178.76 1jxh h GLN 21 N 0.00 0.36 -0.31 0.16 7.50 -1.79 0.13 115.11 121.16 1jxh h GLN 21 Ca -0.00 -0.08 -0.10 0.00 0.50 0.00 0.00 58.65 58.97 1jxh h GLN 21 Cb 0.14 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.62 1jxh h GLN 21 CO 0.00 0.46 -0.18 0.00 -1.50 0.00 0.00 178.83 177.61 1jxh h ALA 22 N 0.89 0.44 -0.12 3.87 0.00 -0.29 -2.09 119.26 121.96 1jxh h ALA 22 Ca 0.07 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1jxh h ALA 22 Cb 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1jxh h ALA 22 CO -0.00 0.37 -0.03 -0.44 0.00 0.00 0.00 179.25 179.15 1jxh h ASP 23 N 0.43 -0.12 -0.88 0.00 3.32 -1.07 -0.46 116.42 117.64 1jxh h ASP 23 Ca 0.07 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1jxh h ASP 23 Cb 0.72 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.31 1jxh h ASP 23 CO 0.05 -0.05 0.48 -0.07 -1.72 0.00 0.00 179.24 177.94 1jxh h LEU 24 N -0.01 1.10 -0.44 1.55 4.07 -0.74 0.23 115.31 121.07 1jxh h LEU 24 Ca 0.06 -0.10 -0.05 0.00 0.08 0.00 0.00 57.88 57.87 1jxh h LEU 24 Cb 0.10 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.54 1jxh h LEU 24 CO -0.13 0.88 0.06 0.11 -1.08 0.00 0.00 178.44 178.29 1jxh h LYS 25 N 1.23 0.74 -0.40 1.13 1.57 -1.01 -1.32 116.57 118.51 1jxh h LYS 25 Ca 0.31 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1jxh h LYS 25 Cb 0.03 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1jxh h LYS 25 CO -0.05 0.77 0.20 1.15 -0.57 0.00 0.00 179.45 180.94 1jxh h THR 26 N 0.60 1.17 0.09 -0.16 2.02 -0.74 0.13 112.91 116.02 1jxh h THR 26 Ca 0.13 -0.48 0.02 0.00 0.77 0.00 0.00 66.41 66.85 1jxh h THR 26 Cb 0.39 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1jxh h THR 26 CO 0.01 0.18 -0.21 -0.26 0.37 0.00 0.00 175.52 175.61 1jxh h PHE 27 N 0.50 -0.55 -0.49 3.16 0.05 -0.83 -1.81 116.94 116.97 1jxh h PHE 27 Ca 0.14 0.01 0.08 0.00 3.82 0.00 0.00 57.97 62.02 1jxh h PHE 27 Cb 0.11 0.23 -0.07 0.00 2.00 0.00 0.00 35.95 38.23 1jxh h PHE 27 CO -0.01 -0.30 0.12 0.77 -0.18 0.00 0.00 178.31 178.70 1jxh h SER 28 N -0.39 0.04 0.67 2.17 0.02 -0.89 -1.32 113.55 113.86 1jxh h SER 28 Ca 0.03 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1jxh h SER 28 Cb 0.42 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1jxh h SER 28 CO -0.13 0.05 0.00 0.00 -1.14 0.00 0.00 176.83 175.61 1jxh h ALA 29 N 1.37 1.00 -0.36 3.77 0.00 -0.47 -2.95 119.26 121.62 1jxh h ALA 29 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jxh h ALA 29 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1jxh h ALA 29 CO -0.30 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.23 1jxh n LEU 30 N -3.08 4.42 -1.19 0.00 4.77 -0.56 -4.98 117.00 116.37 1jxh n LEU 30 Ca -0.01 -2.96 -0.07 0.00 -0.03 0.00 0.00 56.01 52.94 1jxh n LEU 30 Cb 0.22 -0.58 0.02 0.00 -2.33 0.00 0.00 43.42 40.75 1jxh n LEU 30 CO 0.25 0.67 0.03 0.61 -1.33 0.00 0.00 177.39 177.61 1jxh n GLY 31 N -0.13 0.40 3.03 -0.72 0.00 -1.06 -4.88 105.19 101.83 1jxh n GLY 31 Ca 0.23 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 1jxh n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxh s ALA 32 N -2.86 0.86 0.01 4.61 0.00 -0.80 -4.64 121.76 118.94 1jxh s ALA 32 Ca 0.12 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.37 1jxh s ALA 32 Cb -0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 1jxh s ALA 32 CO 0.15 0.19 1.22 -0.47 0.00 0.00 0.00 175.76 176.85 1jxh s TYR 33 N -0.11 3.29 -0.13 0.00 5.04 -0.44 -3.68 117.35 121.31 1jxh s TYR 33 Ca 0.02 1.22 -0.07 0.00 -2.44 0.00 0.00 57.07 55.79 1jxh s TYR 33 Cb -0.05 -3.45 -0.04 0.00 0.35 0.00 0.00 41.96 38.77 1jxh s TYR 33 CO -0.00 -1.42 0.13 0.20 -1.34 0.00 0.00 175.55 173.12 1jxh s GLY 34 N 1.30 2.11 0.24 8.97 0.00 -1.26 -0.17 107.32 118.51 1jxh s GLY 34 Ca 0.58 -0.66 0.11 0.00 0.00 0.00 0.00 44.72 44.75 1jxh s GLY 34 CO 0.26 -0.29 -0.19 0.00 0.00 0.00 0.00 173.10 172.88 1jxh s SER 36 N -3.25 -0.67 -0.20 0.00 1.04 -1.26 -1.62 113.70 107.74 1jxh s SER 36 Ca 0.25 1.18 -0.06 0.00 0.48 0.00 0.00 55.95 57.81 1jxh s SER 36 Cb -0.05 1.24 -0.03 0.00 0.10 0.00 0.00 66.02 67.28 1jxh s SER 36 CO 0.12 -0.22 0.02 -0.69 0.98 0.00 0.00 173.24 173.45 1jxh s VAL 37 N 1.86 4.22 -0.19 5.02 1.01 0.57 -4.96 120.40 127.93 1jxh s VAL 37 Ca -0.08 -0.22 -0.19 0.00 0.00 0.00 0.00 61.98 61.48 1jxh s VAL 37 Cb -0.08 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1jxh s VAL 37 CO -0.16 0.42 0.56 -0.63 0.00 0.00 0.00 175.10 175.30 1jxh s ILE 38 N 0.90 5.08 -0.12 2.22 1.01 -1.26 -1.84 121.20 127.19 1jxh s ILE 38 Ca 0.02 1.05 0.21 0.00 0.00 0.00 0.00 60.65 61.93 1jxh s ILE 38 Cb -0.14 -3.88 -0.21 0.00 0.01 0.00 0.00 42.46 38.24 1jxh s ILE 38 CO 0.02 0.17 0.63 0.35 0.00 0.00 0.00 174.94 176.10 1jxh n THR 39 N 4.50 0.53 -3.58 2.92 -2.24 -0.28 -4.74 114.28 111.39 1jxh n THR 39 Ca -0.04 -0.59 -0.11 0.00 -2.27 0.00 0.00 64.05 61.04 1jxh n THR 39 Cb 0.50 -0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.41 1jxh n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jxh s ALA 40 N -3.25 -1.92 0.02 6.98 0.00 -1.26 -4.28 121.76 118.05 1jxh s ALA 40 Ca -0.06 1.60 0.01 0.00 0.00 0.00 0.00 51.96 53.52 1jxh s ALA 40 Cb 0.11 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 1jxh s ALA 40 CO 0.85 -0.30 0.06 -0.51 0.00 0.00 0.00 175.76 175.86 1jxh s LEU 41 N -0.92 3.77 -0.09 0.00 1.43 -0.57 -2.58 118.68 119.73 1jxh s LEU 41 Ca -0.02 0.06 -0.07 0.00 -1.03 0.00 0.00 54.13 53.07 1jxh s LEU 41 Cb -0.01 -2.26 0.03 0.00 0.03 0.00 0.00 46.19 43.98 1jxh s LEU 41 CO 0.01 0.25 0.22 0.54 0.23 0.00 0.00 176.35 177.61 1jxh s VAL 42 N -1.22 -0.02 -0.75 -1.59 0.11 -1.26 -0.21 120.40 115.47 1jxh s VAL 42 Ca 0.24 0.06 -0.24 0.00 -2.93 0.00 0.00 61.98 59.11 1jxh s VAL 42 Cb -0.12 -0.33 0.06 0.00 -1.53 0.00 0.00 36.38 34.46 1jxh s VAL 42 CO 0.15 0.02 1.12 0.00 -3.33 0.00 0.00 175.10 173.07 1jxh s ALA 43 N 0.53 2.99 0.29 1.54 0.00 0.51 -4.32 121.76 123.31 1jxh s ALA 43 Ca -0.03 -1.84 0.10 0.00 0.00 0.00 0.00 51.96 50.18 1jxh s ALA 43 Cb -0.05 -4.06 -0.05 0.00 0.00 0.00 0.00 23.12 18.96 1jxh s ALA 43 CO -0.03 -3.03 -0.00 -2.00 0.00 0.00 0.00 175.76 170.70 1jxh s GLU 44 N 4.51 2.21 0.20 0.00 2.12 -1.26 -0.82 118.70 125.65 1jxh s GLU 44 Ca 0.29 -1.53 -0.09 0.00 0.36 0.00 0.00 54.97 54.01 1jxh s GLU 44 Cb -0.11 -2.09 -0.01 0.00 0.26 0.00 0.00 34.13 32.18 1jxh s GLU 44 CO 0.08 0.29 0.32 1.21 -0.54 0.00 0.00 175.26 176.62 1jxh s ASN 45 N -3.69 0.01 0.00 -1.70 3.84 0.35 -4.13 114.94 109.63 1jxh s ASN 45 Ca 0.33 -0.97 0.22 0.00 0.21 0.00 0.00 52.86 52.64 1jxh s ASN 45 Cb -0.05 0.48 0.92 0.00 -0.55 0.00 0.00 41.25 42.05 1jxh s ASN 45 CO 0.20 -0.97 1.69 1.07 -2.79 0.00 0.00 177.10 176.30 1jxh n THR 46 N -0.28 0.51 0.39 -5.21 5.66 -1.26 -1.97 114.28 112.11 1jxh n THR 46 Ca -0.04 0.13 0.08 0.00 -3.05 0.00 0.00 64.05 61.17 1jxh n THR 46 Cb 0.63 -0.76 0.11 0.00 -1.55 0.00 0.00 70.33 68.77 1jxh n THR 46 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jxh n GLY 48 N 0.92 0.81 3.67 0.00 0.00 -0.83 -5.02 105.19 104.74 1jxh n GLY 48 Ca 0.12 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 1jxh n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jxh s VAL 49 N -0.92 5.04 -0.11 1.61 1.01 -1.26 -0.50 120.40 125.28 1jxh s VAL 49 Ca 0.00 1.18 -0.10 0.00 0.00 0.00 0.00 61.98 63.06 1jxh s VAL 49 Cb 0.00 -3.94 -0.27 0.00 0.00 0.00 0.00 36.38 32.17 1jxh s VAL 49 CO 0.00 0.15 0.45 1.56 0.00 0.00 0.00 175.10 177.26 1jxh h GLN 50 N 7.33 0.28 -1.89 2.72 7.50 -1.33 -3.49 115.11 126.23 1jxh h GLN 50 Ca -0.33 -0.47 0.13 0.00 0.50 0.00 0.00 58.65 58.48 1jxh h GLN 50 Cb 1.15 0.18 -0.18 0.00 0.05 0.00 0.00 27.48 28.67 1jxh h GLN 50 CO 0.77 1.23 0.58 -1.54 -1.50 0.00 0.00 178.83 178.37 1jxh s SER 51 N -7.09 -0.31 -0.04 1.46 1.04 -1.10 -5.00 113.70 102.64 1jxh s SER 51 Ca -0.21 0.11 0.05 0.00 0.48 0.00 0.00 55.95 56.38 1jxh s SER 51 Cb 0.06 0.30 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 1jxh s SER 51 CO 0.78 -0.45 -0.20 -0.69 0.98 0.00 0.00 173.24 173.66 1jxh s VAL 52 N -2.38 2.59 -0.21 5.02 1.01 -1.26 -0.36 120.40 124.81 1jxh s VAL 52 Ca 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1jxh s VAL 52 Cb -0.01 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.43 1jxh s VAL 52 CO -0.05 0.58 -0.16 -0.47 0.00 0.00 0.00 175.10 175.00 1jxh s TYR 53 N -0.57 2.96 0.35 5.22 5.04 0.71 -4.99 117.35 126.07 1jxh s TYR 53 Ca 0.08 -1.84 -0.16 0.00 -2.44 0.00 0.00 57.07 52.71 1jxh s TYR 53 Cb -0.11 -1.94 -0.09 0.00 0.35 0.00 0.00 41.96 40.17 1jxh s TYR 53 CO 0.01 -0.82 0.79 -0.98 -1.34 0.00 0.00 175.55 173.20 1jxh s ARG 54 N 1.24 4.03 0.01 4.97 1.70 -1.26 -1.51 118.95 128.12 1jxh s ARG 54 Ca 0.00 0.75 0.04 0.00 -0.47 0.00 0.00 55.73 56.04 1jxh s ARG 54 Cb -0.15 -2.37 -0.03 0.00 -0.57 0.00 0.00 34.95 31.82 1jxh s ARG 54 CO -0.10 0.09 -0.07 0.42 -1.08 0.00 0.00 175.30 174.56 1jxh s ILE 55 N -2.07 3.60 0.11 4.99 -1.09 -1.26 -4.92 121.20 120.56 1jxh s ILE 55 Ca 0.56 -0.82 -0.31 0.00 -2.23 0.00 0.00 60.65 57.85 1jxh s ILE 55 Cb -0.10 -2.57 -0.09 0.00 -1.58 0.00 0.00 42.46 38.12 1jxh s ILE 55 CO 0.18 0.38 1.59 -1.61 -1.23 0.00 0.00 174.94 174.25 1jxh s GLU 56 N -1.46 4.22 0.46 2.79 0.41 -1.26 -4.87 118.70 118.99 1jxh s GLU 56 Ca 0.17 2.32 0.28 0.00 -0.41 0.00 0.00 54.97 57.33 1jxh s GLU 56 Cb -0.11 -3.39 1.34 0.00 -1.78 0.00 0.00 34.13 30.18 1jxh s GLU 56 CO 0.08 -0.66 1.76 -1.35 -0.49 0.00 0.00 175.26 174.60 1jxh h PRO 57 N 7.59 0.18 -0.59 0.39 0.11 -1.95 0.27 132.00 138.00 1jxh h PRO 57 Ca -0.42 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 1jxh h PRO 57 Cb 1.20 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1jxh h PRO 57 CO 0.92 0.12 0.28 -0.44 -0.21 0.00 0.00 178.00 178.67 1jxh h ASP 58 N 0.19 0.75 0.98 -2.05 5.19 -1.93 -0.98 116.42 118.56 1jxh h ASP 58 Ca 0.61 -0.08 -0.12 0.00 -0.62 0.00 0.00 57.03 56.83 1jxh h ASP 58 Cb 1.98 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 41.29 1jxh h ASP 58 CO -0.19 0.64 -0.57 0.15 -3.12 0.00 0.00 179.24 176.16 1jxh h PHE 59 N 0.83 0.00 -0.38 4.55 3.57 -0.84 -0.18 116.94 124.49 1jxh h PHE 59 Ca 0.21 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 1jxh h PHE 59 Cb 0.10 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1jxh h PHE 59 CO 0.01 0.57 -0.03 0.28 -2.23 0.00 0.00 178.31 176.91 1jxh h VAL 60 N 0.00 1.27 -0.57 1.41 2.07 -1.10 0.12 116.25 119.44 1jxh h VAL 60 Ca -0.01 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1jxh h VAL 60 Cb 1.21 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1jxh h VAL 60 CO 0.07 0.35 0.27 0.00 0.02 0.00 0.00 177.57 178.29 1jxh h ALA 61 N 0.86 0.74 -0.82 1.67 0.00 -0.99 0.91 119.26 121.63 1jxh h ALA 61 Ca 0.10 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1jxh h ALA 61 Cb 0.52 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1jxh h ALA 61 CO 0.03 0.31 0.54 0.00 0.00 0.00 0.00 179.25 180.13 1jxh h ALA 62 N 1.11 1.04 -0.34 0.00 0.00 -0.68 0.56 119.26 120.94 1jxh h ALA 62 Ca 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1jxh h ALA 62 Cb 0.12 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1jxh h ALA 62 CO -0.02 0.45 0.13 1.96 0.00 0.00 0.00 179.25 181.77 1jxh h GLN 63 N 1.11 0.51 -0.76 0.00 4.20 -0.10 -0.78 115.11 119.29 1jxh h GLN 63 Ca 0.30 -0.09 0.06 0.00 0.06 0.00 0.00 58.65 58.98 1jxh h GLN 63 Cb -0.12 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.52 1jxh h GLN 63 CO -0.07 0.51 0.45 -0.07 -0.67 0.00 0.00 178.83 178.98 1jxh h LEU 64 N 0.41 0.68 -0.53 1.46 -0.00 -0.20 -2.28 115.31 114.85 1jxh h LEU 64 Ca 0.11 0.03 -0.10 0.00 -0.00 0.00 0.00 57.88 57.93 1jxh h LEU 64 Cb 0.19 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 40.72 1jxh h LEU 64 CO -0.01 0.43 -0.04 0.44 -0.00 0.00 0.00 178.44 179.26 1jxh h ASP 65 N 0.81 0.95 -0.64 -0.43 3.32 -0.48 -0.82 116.42 119.13 1jxh h ASP 65 Ca 0.34 -0.33 0.04 0.00 0.02 0.00 0.00 57.03 57.11 1jxh h ASP 65 Cb 0.20 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 1jxh h ASP 65 CO -0.19 1.05 0.42 0.28 -1.72 0.00 0.00 179.24 179.09 1jxh h SER 66 N 0.83 0.63 0.04 6.45 0.02 -0.66 -1.48 113.55 119.37 1jxh h SER 66 Ca 0.14 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1jxh h SER 66 Cb 0.59 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1jxh h SER 66 CO 0.04 0.43 -0.02 0.58 -1.14 0.00 0.00 176.83 176.72 1jxh h VAL 67 N 0.73 0.59 0.00 2.27 2.07 -1.11 -3.34 116.25 117.46 1jxh h VAL 67 Ca 0.26 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 1jxh h VAL 67 Cb 0.13 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1jxh h VAL 67 CO -0.07 0.19 -0.07 -0.26 0.02 0.00 0.00 177.57 177.38 1jxh h PHE 68 N -1.00 0.00 -0.01 1.57 0.04 -1.14 0.38 116.94 116.78 1jxh h PHE 68 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1jxh h PHE 68 Cb 0.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1jxh h PHE 68 CO 0.09 0.07 -0.01 -1.13 -0.60 0.00 0.00 178.31 176.72 1jxh n SER 69 N -3.43 0.84 0.00 2.17 3.41 -0.56 -4.44 113.62 111.61 1jxh n SER 69 Ca -0.02 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.37 1jxh n SER 69 Cb 0.21 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1jxh n SER 69 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jxh n ASP 70 N -0.38 0.26 -4.44 4.04 2.03 -0.72 -5.07 116.55 112.26 1jxh n ASP 70 Ca 0.20 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.18 1jxh n ASP 70 Cb 0.26 0.01 -0.13 0.00 -0.72 0.00 0.00 41.12 40.54 1jxh n ASP 70 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1jxh s VAL 71 N -1.06 3.44 -0.12 5.18 1.01 0.12 -5.07 120.40 123.91 1jxh s VAL 71 Ca 0.00 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 1jxh s VAL 71 Cb 0.00 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1jxh s VAL 71 CO 0.00 0.52 1.36 -0.60 0.00 0.00 0.00 175.10 176.38 1jxh s ARG 72 N 0.23 4.23 -0.25 2.72 3.52 -1.26 -4.50 118.95 123.64 1jxh s ARG 72 Ca -0.06 1.81 -0.09 0.00 -0.13 0.00 0.00 55.73 57.26 1jxh s ARG 72 Cb -0.15 -3.79 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 1jxh s ARG 72 CO 0.04 -0.71 0.12 0.42 -0.81 0.00 0.00 175.30 174.36 1jxh s ILE 73 N 3.46 4.82 -0.08 4.11 -1.09 -1.26 -4.57 121.20 126.60 1jxh s ILE 73 Ca 0.60 -0.00 0.14 0.00 -2.23 0.00 0.00 60.65 59.16 1jxh s ILE 73 Cb -0.25 -3.26 -0.23 0.00 -1.58 0.00 0.00 42.46 37.13 1jxh s ILE 73 CO 0.19 0.32 0.55 0.47 -1.23 0.00 0.00 174.94 175.25 1jxh n ASP 74 N 4.77 0.69 -3.89 3.58 8.00 -0.27 -4.80 116.55 124.63 1jxh n ASP 74 Ca -0.15 0.33 -0.10 0.00 0.71 0.00 0.00 54.79 55.57 1jxh n ASP 74 Cb 0.52 0.17 -0.09 0.00 -0.02 0.00 0.00 41.12 41.70 1jxh n ASP 74 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1jxh s THR 75 N -2.60 0.11 -0.02 -3.53 -4.23 -1.12 -4.59 115.64 99.66 1jxh s THR 75 Ca -0.06 -0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 59.52 1jxh s THR 75 Cb 0.08 -0.75 0.01 0.00 1.34 0.00 0.00 72.50 73.17 1jxh s THR 75 CO 0.83 -0.51 0.05 -0.89 -0.54 0.00 0.00 174.62 173.56 1jxh s THR 76 N -2.21 -0.00 -0.04 3.99 2.01 -0.92 -1.13 115.64 117.32 1jxh s THR 76 Ca -0.08 0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.00 1jxh s THR 76 Cb -0.03 -0.09 -0.01 0.00 0.01 0.00 0.00 72.50 72.38 1jxh s THR 76 CO -0.02 0.00 -0.25 -0.75 -0.69 0.00 0.00 174.62 172.91 1jxh s LYS 77 N 0.09 2.33 -0.11 4.92 2.36 0.11 -0.30 119.74 129.14 1jxh s LYS 77 Ca -0.01 -0.89 0.04 0.00 -2.55 0.00 0.00 55.97 52.56 1jxh s LYS 77 Cb -0.01 -2.06 0.00 0.00 -1.05 0.00 0.00 37.83 34.71 1jxh s LYS 77 CO -0.00 0.43 -0.24 0.42 1.55 0.00 0.00 175.35 177.51 1jxh s ILE 78 N -0.30 2.08 0.00 5.43 1.01 0.16 -1.26 121.20 128.32 1jxh s ILE 78 Ca 0.01 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1jxh s ILE 78 Cb -0.12 -1.80 0.00 0.00 0.01 0.00 0.00 42.46 40.55 1jxh s ILE 78 CO 0.02 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.13 1jxh n GLY 79 N 3.58 1.61 3.67 6.18 0.00 0.27 -1.15 105.19 119.35 1jxh n GLY 79 Ca -0.19 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.35 1jxh n GLY 79 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1jxh n MET 80 N 0.00 2.03 -0.03 1.61 0.00 -1.26 -4.65 117.12 114.82 1jxh n MET 80 Ca 0.00 0.74 -0.00 0.00 -0.00 0.00 0.00 57.70 58.44 1jxh n MET 80 Cb 0.00 -2.53 -0.09 0.00 0.00 0.00 0.00 33.22 30.61 1jxh n MET 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1jxh n LEU 81 N 4.79 0.00 0.00 -0.89 4.77 -1.26 -4.17 117.00 120.24 1jxh n LEU 81 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1jxh n LEU 81 Cb 0.27 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1jxh n LEU 81 CO 0.68 0.15 0.00 0.00 -1.33 0.00 0.00 177.39 176.89 1jxh n ALA 82 N -2.17 0.00 -2.49 -1.18 0.00 -1.26 -4.50 120.51 108.90 1jxh n ALA 82 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 1jxh n ALA 82 Cb 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 1jxh n ALA 82 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1jxh s GLU 83 N 0.00 1.24 0.19 0.00 -1.05 -1.26 -4.69 118.70 113.13 1jxh s GLU 83 Ca 0.00 -1.45 -0.14 0.00 -0.15 0.00 0.00 54.97 53.23 1jxh s GLU 83 Cb 0.00 0.33 0.21 0.00 -0.44 0.00 0.00 34.13 34.23 1jxh s GLU 83 CO 0.00 -0.44 1.67 1.15 0.95 0.00 0.00 175.26 178.59 1jxh h THR 84 N 2.56 0.54 0.00 1.83 2.02 -1.88 -1.52 112.91 116.45 1jxh h THR 84 Ca -0.33 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 1jxh h THR 84 Cb 1.24 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1jxh h THR 84 CO 0.49 0.01 -0.18 0.44 0.37 0.00 0.00 175.52 176.66 1jxh h ASP 85 N 0.07 0.00 -0.03 4.18 3.32 -1.97 -0.68 116.42 121.31 1jxh h ASP 85 Ca 0.27 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 1jxh h ASP 85 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1jxh h ASP 85 CO -0.48 0.18 -0.10 0.40 -1.72 0.00 0.00 179.24 177.51 1jxh h ILE 86 N 0.00 1.46 -0.41 0.35 1.08 -1.57 -1.20 117.51 117.22 1jxh h ILE 86 Ca -0.00 -1.50 0.07 0.00 -0.39 0.00 0.00 64.86 63.04 1jxh h ILE 86 Cb 0.32 2.37 -0.06 0.00 -3.07 0.00 0.00 36.82 36.37 1jxh h ILE 86 CO 0.02 0.41 0.03 0.58 -0.69 0.00 0.00 178.15 178.50 1jxh h VAL 87 N -0.43 0.73 -0.21 1.67 2.07 -0.94 0.20 116.25 119.33 1jxh h VAL 87 Ca -0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1jxh h VAL 87 Cb 0.71 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1jxh h VAL 87 CO 0.02 0.03 0.14 -0.08 0.02 0.00 0.00 177.57 177.69 1jxh h GLU 88 N 0.15 0.29 -0.79 1.57 4.57 -1.15 -0.19 114.58 119.03 1jxh h GLU 88 Ca 0.20 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.39 1jxh h GLU 88 Cb 0.27 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.75 1jxh h GLU 88 CO -0.30 0.21 0.50 0.00 -1.18 0.00 0.00 179.01 178.24 1jxh h ALA 89 N 1.06 1.03 -0.02 2.92 0.00 -0.49 -0.43 119.26 123.33 1jxh h ALA 89 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jxh h ALA 89 Cb -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1jxh h ALA 89 CO -0.02 0.32 -0.00 0.28 0.00 0.00 0.00 179.25 179.83 1jxh h VAL 90 N 0.98 1.29 -0.58 0.00 2.07 -0.73 -2.42 116.25 116.86 1jxh h VAL 90 Ca 0.31 -0.87 0.07 0.00 0.82 0.00 0.00 66.70 67.03 1jxh h VAL 90 Cb 0.00 1.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 1jxh h VAL 90 CO -0.11 0.23 0.28 0.00 0.02 0.00 0.00 177.57 177.99 1jxh h ALA 91 N 0.65 0.76 -0.57 1.67 0.00 -0.84 0.26 119.26 121.19 1jxh h ALA 91 Ca 0.01 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1jxh h ALA 91 Cb 0.37 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1jxh h ALA 91 CO 0.00 -0.09 0.37 1.49 0.00 0.00 0.00 179.25 181.01 1jxh h GLU 92 N 0.51 0.72 -0.13 0.00 4.22 -1.05 -0.77 114.58 118.09 1jxh h GLU 92 Ca 0.27 -0.04 -0.16 0.00 0.08 0.00 0.00 59.36 59.51 1jxh h GLU 92 Cb 0.23 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1jxh h GLU 92 CO -0.22 0.48 -0.61 0.00 -2.18 0.00 0.00 179.01 176.48 1jxh h ARG 93 N 0.74 0.45 -0.64 1.92 2.47 -0.91 -1.24 114.38 117.17 1jxh h ARG 93 Ca 0.21 -0.30 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1jxh h ARG 93 Cb -0.06 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.28 1jxh h ARG 93 CO -0.06 0.92 0.40 -0.07 0.56 0.00 0.00 179.97 181.72 1jxh h LEU 94 N 0.33 0.76 -0.05 3.04 4.07 -0.60 -1.53 115.31 121.33 1jxh h LEU 94 Ca -0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1jxh h LEU 94 Cb 1.15 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.70 1jxh h LEU 94 CO 0.11 0.58 -0.02 -0.61 -1.08 0.00 0.00 178.44 177.42 1jxh h GLN 95 N 0.87 0.10 -0.72 1.13 4.15 -1.03 -1.71 115.11 117.91 1jxh h GLN 95 Ca 0.23 -0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.69 1jxh h GLN 95 Cb -0.05 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.57 1jxh h GLN 95 CO -0.05 0.47 0.39 -0.09 -1.93 0.00 0.00 178.83 177.62 1jxh h ARG 96 N -0.27 0.67 -0.62 1.69 2.43 -1.06 -2.48 114.38 114.75 1jxh h ARG 96 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1jxh h ARG 96 Cb 0.43 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1jxh h ARG 96 CO 0.01 0.44 0.00 0.72 -1.51 0.00 0.00 179.97 179.63 1jxh n HIS 97 N -4.80 1.06 -4.04 2.20 8.25 -0.59 -4.96 115.22 112.35 1jxh n HIS 97 Ca 0.10 -0.45 -0.31 0.00 -0.26 0.00 0.00 57.72 56.80 1jxh n HIS 97 Cb 0.23 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 1jxh n HIS 97 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1jxh n HIS 98 N 1.01 -1.53 -2.27 4.41 8.25 -0.88 -4.85 115.22 119.37 1jxh n HIS 98 Ca 0.21 0.57 -0.42 0.00 -0.26 0.00 0.00 57.72 57.81 1jxh n HIS 98 Cb 0.66 -3.29 -0.03 0.00 1.12 0.00 0.00 29.99 28.45 1jxh n HIS 98 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1jxh s VAL 99 N -3.96 3.73 0.50 1.59 1.01 -0.70 -5.02 120.40 117.56 1jxh s VAL 99 Ca 0.14 1.17 0.07 0.00 0.00 0.00 0.00 61.98 63.36 1jxh s VAL 99 Cb -0.06 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.60 1jxh s VAL 99 CO 0.93 0.03 0.51 0.00 0.00 0.00 0.00 175.10 176.57 1jxh s ARG 100 N 1.90 2.40 -1.36 2.72 3.03 -1.26 -4.69 118.95 121.68 1jxh s ARG 100 Ca 0.62 -1.71 -0.03 0.00 2.03 0.00 0.00 55.73 56.64 1jxh s ARG 100 Cb -0.32 -2.38 -0.00 0.00 -1.03 0.00 0.00 34.95 31.23 1jxh s ARG 100 CO 0.27 -0.52 0.49 0.09 -1.13 0.00 0.00 175.30 174.49 1jxh n ASN 101 N -1.83 -0.97 -4.60 -2.89 3.02 -1.26 -4.22 115.26 102.51 1jxh n ASN 101 Ca 0.05 -0.99 -0.41 0.00 -0.03 0.00 0.00 54.58 53.20 1jxh n ASN 101 Cb 0.62 -3.16 -0.06 0.00 -0.61 0.00 0.00 39.78 36.56 1jxh n ASN 101 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jxh s VAL 102 N -3.88 4.93 -0.29 2.41 1.01 -1.26 -2.18 120.40 121.15 1jxh s VAL 102 Ca 0.06 0.85 -0.10 0.00 0.00 0.00 0.00 61.98 62.79 1jxh s VAL 102 Cb -0.02 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1jxh s VAL 102 CO 0.88 -0.15 0.16 -0.69 0.00 0.00 0.00 175.10 175.30 1jxh s VAL 103 N 2.62 4.90 -0.34 2.92 1.01 0.58 -0.18 120.40 131.91 1jxh s VAL 103 Ca 0.25 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.03 1jxh s VAL 103 Cb -0.15 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1jxh s VAL 103 CO 0.12 0.19 0.15 -0.22 0.00 0.00 0.00 175.10 175.34 1jxh s LEU 104 N 1.68 4.37 0.51 3.92 2.96 0.10 -0.66 118.68 131.56 1jxh s LEU 104 Ca 0.06 -0.89 -0.12 0.00 -0.22 0.00 0.00 54.13 52.97 1jxh s LEU 104 Cb -0.16 -1.96 -0.06 0.00 0.50 0.00 0.00 46.19 44.51 1jxh s LEU 104 CO 0.08 -0.30 0.91 -0.62 -1.32 0.00 0.00 176.35 175.10 1jxh s ASP 105 N 1.52 6.44 -0.91 3.68 2.15 -0.30 -1.66 116.67 127.60 1jxh s ASP 105 Ca 0.02 1.32 -0.04 0.00 0.43 0.00 0.00 52.55 54.28 1jxh s ASP 105 Cb -0.18 -2.41 0.23 0.00 -0.30 0.00 0.00 42.92 40.25 1jxh s ASP 105 CO 0.05 -0.61 0.81 0.42 -0.17 0.00 0.00 175.17 175.67 1jxh s THR 106 N -2.72 4.72 -0.84 1.71 -4.23 -1.26 -4.70 115.64 108.32 1jxh s THR 106 Ca 0.54 -3.59 -0.21 0.00 -1.18 0.00 0.00 61.69 57.25 1jxh s THR 106 Cb -0.10 -3.92 0.09 0.00 1.34 0.00 0.00 72.50 69.91 1jxh s THR 106 CO 0.39 -1.08 1.14 -0.69 -0.54 0.00 0.00 174.62 173.84 1jxh s VAL 107 N -1.10 4.38 0.00 2.29 1.01 -1.26 -4.67 120.40 121.04 1jxh s VAL 107 Ca 0.26 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1jxh s VAL 107 Cb -0.09 -4.81 0.00 0.00 0.00 0.00 0.00 36.38 31.48 1jxh s VAL 107 CO -0.10 -1.59 0.33 1.15 0.00 0.00 0.00 175.10 174.89 1jxh n MET 108 N 7.55 0.00 -0.20 2.72 0.00 -1.26 -4.65 117.12 121.28 1jxh n MET 108 Ca 0.14 -0.30 0.19 0.00 0.00 0.00 0.00 57.70 57.73 1jxh n MET 108 Cb 0.48 -0.27 0.34 0.00 0.00 0.00 0.00 33.22 33.77 1jxh n MET 108 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1jxh n LEU 109 N 0.00 0.16 -3.47 3.17 7.94 -1.26 -4.20 117.00 119.34 1jxh n LEU 109 Ca 0.00 0.85 -0.11 0.00 -1.11 0.00 0.00 56.01 55.64 1jxh n LEU 109 Cb 0.51 -0.41 -0.02 0.00 0.53 0.00 0.00 43.42 44.03 1jxh n LEU 109 CO 0.00 -0.94 0.55 -0.22 -1.11 0.00 0.00 177.39 175.67 1jxh s LEU 116 N -8.10 -0.48 0.01 -1.96 2.96 -1.26 -5.22 118.68 104.63 1jxh s LEU 116 Ca -0.05 0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1jxh s LEU 116 Cb 0.18 2.30 -0.01 0.00 0.50 0.00 0.00 46.19 49.16 1jxh s LEU 116 CO 0.43 -0.76 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.81 1jxh s LEU 117 N -2.45 2.08 0.78 -0.68 1.43 -1.26 -4.83 118.68 113.76 1jxh s LEU 117 Ca 0.02 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 1jxh s LEU 117 Cb -0.01 -0.60 0.07 0.00 0.03 0.00 0.00 46.19 45.68 1jxh s LEU 117 CO -0.09 0.10 1.14 -0.94 0.23 0.00 0.00 176.35 176.79 1jxh s SER 118 N -0.61 4.09 0.55 2.29 1.04 -1.26 -4.73 113.70 115.07 1jxh s SER 118 Ca 0.03 2.09 0.24 0.00 0.48 0.00 0.00 55.95 58.79 1jxh s SER 118 Cb -0.06 -2.56 1.44 0.00 0.10 0.00 0.00 66.02 64.95 1jxh s SER 118 CO 0.00 -2.32 2.07 -0.65 0.98 0.00 0.00 173.24 173.32 1jxh h PRO 119 N -0.93 0.00 -0.20 4.02 0.11 -2.00 -0.46 132.00 132.54 1jxh h PRO 119 Ca -0.45 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 1jxh h PRO 119 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1jxh h PRO 119 CO 0.49 0.00 -0.25 1.03 -0.21 0.00 0.00 178.00 179.06 1jxh h SER 120 N 0.00 0.57 -0.20 -2.05 0.87 -1.99 -1.24 113.55 109.51 1jxh h SER 120 Ca 0.13 -0.50 -0.02 0.00 -1.23 0.00 0.00 61.79 60.17 1jxh h SER 120 Cb 0.57 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1jxh h SER 120 CO -0.00 0.95 0.06 0.00 -0.53 0.00 0.00 176.83 177.31 1jxh h ALA 121 N 0.63 0.26 -0.77 6.23 0.00 -1.48 -0.97 119.26 123.15 1jxh h ALA 121 Ca 0.03 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1jxh h ALA 121 Cb 0.82 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1jxh h ALA 121 CO 0.06 -0.12 0.51 0.82 0.00 0.00 0.00 179.25 180.52 1jxh h ILE 122 N 0.14 1.18 -0.47 0.00 2.04 -1.22 0.64 117.51 119.83 1jxh h ILE 122 Ca 0.06 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.59 1jxh h ILE 122 Cb 0.23 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 1jxh h ILE 122 CO -0.00 0.19 0.29 -0.08 0.00 0.00 0.00 178.15 178.54 1jxh h GLU 123 N 1.03 0.56 -0.39 2.37 4.81 -1.00 -1.30 114.58 120.66 1jxh h GLU 123 Ca 0.29 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.40 1jxh h GLU 123 Cb -0.10 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 1jxh h GLU 123 CO -0.07 0.37 -0.10 1.15 -0.73 0.00 0.00 179.01 179.63 1jxh h THR 124 N 0.57 1.25 0.05 0.32 2.02 -0.55 -2.49 112.91 114.09 1jxh h THR 124 Ca 0.19 -1.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.27 1jxh h THR 124 Cb 0.00 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1jxh h THR 124 CO -0.08 0.37 -0.03 0.25 0.37 0.00 0.00 175.52 176.40 1jxh h LEU 125 N 0.63 -0.06 -1.17 2.58 6.46 -0.16 0.29 115.31 123.87 1jxh h LEU 125 Ca 0.11 -0.13 -0.06 0.00 -0.12 0.00 0.00 57.88 57.68 1jxh h LEU 125 Cb 0.53 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 1jxh h LEU 125 CO 0.03 0.09 -0.10 0.08 -0.62 0.00 0.00 178.44 177.93 1jxh h ARG 126 N -0.21 0.46 0.12 1.25 0.11 -1.19 -0.60 114.38 114.32 1jxh h ARG 126 Ca -0.01 -0.12 -0.27 0.00 0.10 0.00 0.00 59.98 59.68 1jxh h ARG 126 Cb 0.19 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.21 1jxh h ARG 126 CO 0.01 0.56 -1.36 0.28 0.10 0.00 0.00 179.97 179.57 1jxh h VAL 127 N 0.43 1.09 0.03 0.08 2.07 -1.33 -3.37 116.25 115.26 1jxh h VAL 127 Ca 0.08 -2.43 -0.36 0.00 0.82 0.00 0.00 66.70 64.82 1jxh h VAL 127 Cb 0.44 2.78 -0.05 0.00 -1.52 0.00 0.00 31.29 32.93 1jxh h VAL 127 CO 0.02 0.71 -2.18 0.54 0.02 0.00 0.00 177.57 176.68 1jxh n ARG 128 N -3.93 0.68 -0.10 1.57 5.12 1.00 -4.67 116.66 116.33 1jxh n ARG 128 Ca -0.23 0.17 -0.22 0.00 -1.93 0.00 0.00 57.85 55.63 1jxh n ARG 128 Cb 0.90 -1.62 -0.12 0.00 -1.16 0.00 0.00 32.46 30.47 1jxh n ARG 128 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1jxh n LEU 129 N -3.15 1.90 -0.32 0.55 7.94 -0.40 -4.48 117.00 119.03 1jxh n LEU 129 Ca -0.34 0.41 0.18 0.00 -1.11 0.00 0.00 56.01 55.15 1jxh n LEU 129 Cb 1.06 -0.96 0.36 0.00 0.53 0.00 0.00 43.42 44.41 1jxh n LEU 129 CO 0.38 0.32 0.95 -0.07 -1.11 0.00 0.00 177.39 177.86 1jxh h LEU 130 N -0.96 -0.01 0.00 -1.96 4.07 -1.33 0.48 115.31 115.61 1jxh h LEU 130 Ca -0.38 0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.81 1jxh h LEU 130 Cb 1.36 0.31 0.00 0.00 1.08 0.00 0.00 40.66 43.41 1jxh h LEU 130 CO -0.21 -0.26 0.00 -2.65 -1.08 0.00 0.00 178.44 174.24 1jxh n PRO 131 N -5.28 0.25 0.00 1.13 -0.02 -1.26 -2.23 135.00 127.59 1jxh n PRO 131 Ca 0.26 0.04 0.03 0.00 -2.02 0.00 0.00 63.50 61.81 1jxh n PRO 131 Cb 0.85 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.80 1jxh n PRO 131 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1jxh n GLN 132 N -1.05 3.91 -3.37 -0.52 6.02 0.17 -4.89 117.38 117.65 1jxh n GLN 132 Ca 0.06 -0.17 -0.38 0.00 -0.01 0.00 0.00 57.00 56.50 1jxh n GLN 132 Cb 0.04 -0.88 -0.06 0.00 1.02 0.00 0.00 30.24 30.35 1jxh n GLN 132 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1jxh s VAL 133 N -1.47 4.94 0.02 5.09 -7.23 -0.94 -4.65 120.40 116.15 1jxh s VAL 133 Ca 0.04 1.03 -0.16 0.00 -1.81 0.00 0.00 61.98 61.08 1jxh s VAL 133 Cb 0.05 -3.81 -0.35 0.00 0.56 0.00 0.00 36.38 32.83 1jxh s VAL 133 CO 0.25 0.52 0.96 0.28 -0.31 0.00 0.00 175.10 176.80 1jxh h SER 134 N 5.03 0.83 -3.33 4.85 0.02 -0.91 -2.50 113.55 117.54 1jxh h SER 134 Ca -0.49 -0.92 -0.22 0.00 -0.84 0.00 0.00 61.79 59.32 1jxh h SER 134 Cb 1.21 -0.27 -0.31 0.00 0.14 0.00 0.00 62.40 63.17 1jxh h SER 134 CO 0.65 1.72 -0.54 -0.22 -1.14 0.00 0.00 176.83 177.30 1jxh s LEU 135 N -7.58 0.45 0.00 5.07 2.96 -0.55 -0.24 118.68 118.79 1jxh s LEU 135 Ca -0.10 0.43 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 1jxh s LEU 135 Cb 0.04 0.56 -0.04 0.00 0.50 0.00 0.00 46.19 47.25 1jxh s LEU 135 CO 0.94 -0.17 -0.03 -0.51 -1.32 0.00 0.00 176.35 175.26 1jxh s ILE 136 N 1.37 3.94 -0.52 6.68 2.07 -0.96 0.03 121.20 133.82 1jxh s ILE 136 Ca -0.08 -0.68 0.07 0.00 -1.41 0.00 0.00 60.65 58.55 1jxh s ILE 136 Cb -0.11 -2.74 0.30 0.00 0.13 0.00 0.00 42.46 40.03 1jxh s ILE 136 CO -0.07 0.38 0.76 0.35 -1.91 0.00 0.00 174.94 174.44 1jxh n THR 137 N 1.44 1.50 -2.88 4.00 -2.24 -0.66 -1.00 114.28 114.45 1jxh n THR 137 Ca -0.15 -4.98 -0.25 0.00 -2.27 0.00 0.00 64.05 56.40 1jxh n THR 137 Cb 0.53 -1.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.24 1jxh n THR 137 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1jxh s PRO 138 N -2.52 3.34 0.41 -0.78 0.04 -1.24 -4.27 135.00 129.98 1jxh s PRO 138 Ca 0.42 -0.12 0.03 0.00 0.04 0.00 0.00 61.00 61.37 1jxh s PRO 138 Cb 0.23 -2.48 0.07 0.00 0.04 0.00 0.00 34.50 32.37 1jxh s PRO 138 CO -0.08 -0.19 0.56 0.27 0.04 0.00 0.00 177.00 177.60 1jxh n ASN 139 N -2.14 1.12 0.06 6.66 0.23 -1.26 -0.87 115.26 119.05 1jxh n ASN 139 Ca -0.00 -1.86 -0.11 0.00 -0.53 0.00 0.00 54.58 52.08 1jxh n ASN 139 Cb 0.56 -0.33 -0.05 0.00 -2.08 0.00 0.00 39.78 37.88 1jxh n ASN 139 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1jxh h LEU 140 N 0.00 -0.32 -0.95 -4.53 4.07 -1.89 -1.29 115.31 110.40 1jxh h LEU 140 Ca -0.19 0.05 0.07 0.00 0.08 0.00 0.00 57.88 57.89 1jxh h LEU 140 Cb 0.78 0.13 -0.07 0.00 1.08 0.00 0.00 40.66 42.59 1jxh h LEU 140 CO 0.24 -0.16 0.61 -0.65 -1.08 0.00 0.00 178.44 177.39 1jxh h PRO 141 N -0.20 1.06 -0.35 1.13 0.11 -1.95 -2.10 132.00 129.70 1jxh h PRO 141 Ca 0.04 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 65.91 1jxh h PRO 141 Cb 0.24 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1jxh h PRO 141 CO -0.10 0.70 -0.44 0.93 -0.21 0.00 0.00 178.00 178.88 1jxh h GLU 142 N 1.10 0.91 -0.17 1.05 5.08 -1.90 -2.47 114.58 118.18 1jxh h GLU 142 Ca 0.42 -0.51 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1jxh h GLU 142 Cb 0.19 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1jxh h GLU 142 CO -0.18 1.16 0.10 0.00 -1.00 0.00 0.00 179.01 179.09 1jxh h ALA 143 N 0.76 0.21 -0.74 3.43 0.00 -0.85 -0.21 119.26 121.86 1jxh h ALA 143 Ca 0.05 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1jxh h ALA 143 Cb 1.04 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1jxh h ALA 143 CO 0.10 -0.27 0.46 0.00 0.00 0.00 0.00 179.25 179.55 1jxh h ALA 144 N 1.01 0.97 -0.77 0.00 0.00 -1.39 -1.01 119.26 118.08 1jxh h ALA 144 Ca 0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1jxh h ALA 144 Cb 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1jxh h ALA 144 CO -0.01 0.24 0.33 0.00 0.00 0.00 0.00 179.25 179.81 1jxh h ALA 145 N 1.32 0.99 -0.07 0.00 0.00 -0.99 0.70 119.26 121.22 1jxh h ALA 145 Ca 0.30 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1jxh h ALA 145 Cb 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1jxh h ALA 145 CO -0.12 0.60 -0.31 -0.07 0.00 0.00 0.00 179.25 179.35 1jxh h LEU 146 N 1.10 0.12 -0.86 0.00 3.38 -0.39 -2.61 115.31 116.05 1jxh h LEU 146 Ca 0.26 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1jxh h LEU 146 Cb 0.18 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1jxh h LEU 146 CO -0.03 0.43 -0.36 0.18 0.09 0.00 0.00 178.44 178.75 1jxh n LEU 147 N -4.14 1.70 -3.72 1.67 4.77 -0.44 -4.95 117.00 111.89 1jxh n LEU 147 Ca -0.02 -0.59 -0.23 0.00 -0.03 0.00 0.00 56.01 55.15 1jxh n LEU 147 Cb 0.38 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.46 1jxh n LEU 147 CO 0.39 0.31 -0.01 -0.67 -1.33 0.00 0.00 177.39 176.08 1jxh n ASP 148 N -0.17 -2.07 -4.39 -1.43 4.64 0.22 -4.98 116.55 108.37 1jxh n ASP 148 Ca 0.11 -0.79 -0.19 0.00 -1.38 0.00 0.00 54.79 52.53 1jxh n ASP 148 Cb 0.43 -4.12 -0.10 0.00 -1.04 0.00 0.00 41.12 36.28 1jxh n ASP 148 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1jxh s ALA 149 N -3.57 2.10 0.59 -1.67 0.00 0.27 -5.02 121.76 114.46 1jxh s ALA 149 Ca 0.15 -1.89 -0.18 0.00 0.00 0.00 0.00 51.96 50.03 1jxh s ALA 149 Cb -0.07 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 1jxh s ALA 149 CO 0.81 -0.24 1.15 -2.14 0.00 0.00 0.00 175.76 175.34 1jxh s PRO 150 N -3.85 3.07 0.16 0.00 0.02 -1.26 -4.48 135.00 128.66 1jxh s PRO 150 Ca 0.32 1.62 -0.33 0.00 0.02 0.00 0.00 61.00 62.63 1jxh s PRO 150 Cb 0.06 -1.97 -0.13 0.00 0.02 0.00 0.00 34.50 32.49 1jxh s PRO 150 CO 0.12 -1.08 1.69 1.58 -0.33 0.00 0.00 177.00 178.98 1jxh n HIS 151 N -1.70 2.50 -1.68 6.54 -0.00 -1.26 -4.82 115.22 114.81 1jxh n HIS 151 Ca 0.12 0.11 -0.48 0.00 0.46 0.00 0.00 57.72 57.93 1jxh n HIS 151 Cb 0.51 -2.63 -0.05 0.00 -0.12 0.00 0.00 29.99 27.71 1jxh n HIS 151 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1jxh n ALA 152 N 4.14 0.99 0.09 1.57 0.00 -1.26 -4.89 120.51 121.14 1jxh n ALA 152 Ca 0.17 0.29 -0.23 0.00 0.00 0.00 0.00 53.44 53.67 1jxh n ALA 152 Cb 0.32 -2.50 -0.15 0.00 0.00 0.00 0.00 19.45 17.12 1jxh n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jxh h ARG 153 N 9.04 0.42 -5.15 0.00 3.08 -1.94 -3.47 114.38 116.36 1jxh h ARG 153 Ca -0.48 -0.72 -0.61 0.00 0.07 0.00 0.00 59.98 58.24 1jxh h ARG 153 Cb 1.27 0.27 -0.13 0.00 0.08 0.00 0.00 29.97 31.45 1jxh h ARG 153 CO 0.94 1.34 -0.52 -0.08 -1.07 0.00 0.00 179.97 180.58 1jxh s THR 154 N -2.59 0.94 0.20 2.04 -1.32 -1.26 -5.05 115.64 108.61 1jxh s THR 154 Ca -0.14 -2.00 -0.10 0.00 -1.21 0.00 0.00 61.69 58.24 1jxh s THR 154 Cb 0.05 -2.33 0.13 0.00 -1.51 0.00 0.00 72.50 68.85 1jxh s THR 154 CO 0.87 0.00 1.80 -0.08 -2.21 0.00 0.00 174.62 175.00 1jxh h GLU 155 N 1.62 1.03 -0.30 7.08 4.81 -1.99 -1.79 114.58 125.04 1jxh h GLU 155 Ca -0.40 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1jxh h GLU 155 Cb 1.29 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1jxh h GLU 155 CO 0.66 0.80 0.19 1.96 -0.73 0.00 0.00 179.01 181.89 1jxh h GLN 156 N 1.01 0.40 -0.69 1.92 1.08 -1.99 0.11 115.11 116.95 1jxh h GLN 156 Ca 0.25 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.39 1jxh h GLN 156 Cb 0.09 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 1jxh h GLN 156 CO -0.03 0.28 0.29 0.93 -0.95 0.00 0.00 178.83 179.35 1jxh h GLU 157 N 0.40 1.00 -0.55 1.46 5.08 -1.93 -0.04 114.58 120.00 1jxh h GLU 157 Ca 0.11 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1jxh h GLU 157 Cb -0.02 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1jxh h GLU 157 CO -0.02 0.80 0.16 1.98 -1.00 0.00 0.00 179.01 180.93 1jxh h MET 158 N 0.99 0.86 -0.40 2.33 4.05 -0.77 -1.42 114.93 120.58 1jxh h MET 158 Ca 0.24 -0.19 -0.09 0.00 -0.28 0.00 0.00 59.70 59.37 1jxh h MET 158 Cb 0.16 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 1jxh h MET 158 CO -0.02 0.79 -0.13 -0.07 0.23 0.00 0.00 176.91 177.71 1jxh h LEU 159 N 0.77 0.71 -0.60 3.39 3.38 -0.29 -2.11 115.31 120.56 1jxh h LEU 159 Ca 0.18 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1jxh h LEU 159 Cb 0.30 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1jxh h LEU 159 CO -0.00 0.86 0.26 0.00 0.09 0.00 0.00 178.44 179.65 1jxh h ALA 160 N 1.21 0.78 -0.65 1.53 0.00 -0.65 -1.79 119.26 119.69 1jxh h ALA 160 Ca 0.11 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1jxh h ALA 160 Cb 0.59 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1jxh h ALA 160 CO 0.04 0.37 0.08 1.96 0.00 0.00 0.00 179.25 181.70 1jxh h GLN 161 N 0.83 1.09 -0.38 0.00 4.20 -1.01 0.57 115.11 120.41 1jxh h GLN 161 Ca 0.20 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1jxh h GLN 161 Cb 0.17 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1jxh h GLN 161 CO -0.02 1.01 0.25 0.78 -0.67 0.00 0.00 178.83 180.18 1jxh h GLY 162 N 1.04 0.53 1.54 3.46 0.00 -1.10 -1.03 103.07 107.51 1jxh h GLY 162 Ca 0.20 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 1jxh h GLY 162 CO 0.02 0.19 -0.17 3.21 0.00 0.00 0.00 176.54 179.79 1jxh h ARG 163 N 0.51 0.54 -0.62 4.80 3.08 -1.07 -2.70 114.38 118.93 1jxh h ARG 163 Ca 0.14 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1jxh h ARG 163 Cb -0.06 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1jxh h ARG 163 CO -0.03 0.69 0.26 0.00 -1.07 0.00 0.00 179.97 179.82 1jxh h ALA 164 N 1.33 0.80 0.00 0.04 0.00 -0.33 -2.14 119.26 118.96 1jxh h ALA 164 Ca 0.08 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1jxh h ALA 164 Cb 0.58 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1jxh h ALA 164 CO 0.04 0.40 -0.24 -0.07 0.00 0.00 0.00 179.25 179.38 1jxh h LEU 165 N 0.86 0.00 -0.01 0.00 3.38 -0.93 -2.11 115.31 116.50 1jxh h LEU 165 Ca 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1jxh h LEU 165 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1jxh h LEU 165 CO -0.02 0.24 -0.00 -0.07 0.09 0.00 0.00 178.44 178.68 1jxh h LEU 166 N 0.00 0.01 -2.00 1.67 3.38 -1.15 -2.80 115.31 114.42 1jxh h LEU 166 Ca -0.00 -0.40 0.17 0.00 0.09 0.00 0.00 57.88 57.73 1jxh h LEU 166 Cb 0.43 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1jxh h LEU 166 CO 0.03 0.41 0.42 0.00 0.09 0.00 0.00 178.44 179.39 1jxh h ALA 167 N 0.60 2.53 0.00 1.53 0.00 -1.00 0.20 119.26 123.13 1jxh h ALA 167 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jxh h ALA 167 Cb 0.41 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jxh h ALA 167 CO 0.00 -0.71 0.00 -1.33 0.00 0.00 0.00 179.25 177.21 1jxh n MET 168 N -4.33 0.23 0.00 0.00 2.81 -0.83 -4.85 117.12 110.15 1jxh n MET 168 Ca 0.11 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 1jxh n MET 168 Cb 0.65 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 1jxh n MET 168 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jxh n GLY 169 N 0.26 1.60 3.73 3.03 0.00 0.71 -4.11 105.19 110.41 1jxh n GLY 169 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1jxh n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxh h GLU 171 N 5.94 0.13 -3.01 0.00 4.81 -1.41 -3.40 114.58 117.64 1jxh h GLU 171 Ca -0.44 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 58.66 1jxh h GLU 171 Cb 1.21 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.45 1jxh h GLU 171 CO 0.85 0.59 0.01 0.00 -0.73 0.00 0.00 179.01 179.72 1jxh s ALA 172 N -3.97 -1.20 -0.02 2.92 0.00 0.67 -4.49 121.76 115.66 1jxh s ALA 172 Ca -0.03 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.30 1jxh s ALA 172 Cb 0.13 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.78 1jxh s ALA 172 CO 0.76 -0.57 -0.05 0.08 0.00 0.00 0.00 175.76 175.99 1jxh s VAL 173 N -2.98 0.48 -0.53 0.00 1.01 -0.57 -2.27 120.40 115.54 1jxh s VAL 173 Ca -0.02 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1jxh s VAL 173 Cb -0.00 -0.45 0.13 0.00 0.00 0.00 0.00 36.38 36.06 1jxh s VAL 173 CO -0.06 0.17 0.29 -0.22 0.00 0.00 0.00 175.10 175.28 1jxh s LEU 174 N 0.34 4.67 -0.24 3.92 2.96 -0.17 0.67 118.68 130.84 1jxh s LEU 174 Ca -0.04 -2.83 -0.29 0.00 -0.22 0.00 0.00 54.13 50.75 1jxh s LEU 174 Cb -0.08 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 1jxh s LEU 174 CO -0.00 -0.30 1.35 -0.04 -1.32 0.00 0.00 176.35 176.04 1jxh s MET 175 N -0.04 3.99 -0.29 1.98 -1.94 -0.08 -3.64 119.30 119.29 1jxh s MET 175 Ca 0.16 1.46 -0.21 0.00 -1.71 0.00 0.00 55.69 55.39 1jxh s MET 175 Cb -0.23 -3.87 -0.01 0.00 2.01 0.00 0.00 34.83 32.72 1jxh s MET 175 CO -0.02 -1.02 0.65 0.15 -0.01 0.00 0.00 175.02 174.77 1jxh s LYS 176 N 4.05 3.99 -0.02 2.03 1.02 -0.05 -1.73 119.74 129.03 1jxh s LYS 176 Ca 0.59 0.43 -0.01 0.00 0.02 0.00 0.00 55.97 56.99 1jxh s LYS 176 Cb -0.20 -3.70 -0.01 0.00 -0.52 0.00 0.00 37.83 33.40 1jxh s LYS 176 CO 0.22 -0.53 0.15 0.78 -0.92 0.00 0.00 175.35 175.06 1jxh h GLY 177 N 9.11 -0.05 -5.46 -3.33 0.00 -1.94 -3.16 103.07 98.23 1jxh h GLY 177 Ca -0.26 0.02 -0.26 0.00 0.00 0.00 0.00 47.33 46.82 1jxh h GLY 177 CO 0.80 -0.02 -0.73 0.99 0.00 0.00 0.00 176.54 177.58 1jxh s ASP 187 N -3.52 0.23 -0.09 0.19 -0.00 -1.26 -4.90 116.67 107.33 1jxh s ASP 187 Ca -0.01 -0.05 0.03 0.00 -0.00 0.00 0.00 52.55 52.52 1jxh s ASP 187 Cb 0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 42.92 42.91 1jxh s ASP 187 CO 0.02 0.01 -0.18 0.26 -0.00 0.00 0.00 175.17 175.29 1jxh s TRP 188 N -0.09 2.01 -0.22 4.23 0.52 -0.71 0.06 118.94 124.75 1jxh s TRP 188 Ca 0.00 -0.81 -0.10 0.00 0.02 0.00 0.00 56.10 55.21 1jxh s TRP 188 Cb -0.01 -1.40 -0.05 0.00 -1.15 0.00 0.00 33.47 30.86 1jxh s TRP 188 CO -0.00 -0.36 0.14 -1.17 0.02 0.00 0.00 176.95 175.58 1jxh s LEU 189 N 0.54 4.12 -0.11 2.99 2.96 0.43 -0.91 118.68 128.71 1jxh s LEU 189 Ca -0.16 0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1jxh s LEU 189 Cb -0.17 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 1jxh s LEU 189 CO 0.06 0.12 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.78 1jxh s PHE 190 N 0.75 2.96 0.20 5.38 0.08 0.21 -1.51 117.98 126.05 1jxh s PHE 190 Ca 0.07 -0.15 -0.07 0.00 0.12 0.00 0.00 56.93 56.90 1jxh s PHE 190 Cb -0.12 -1.81 -0.02 0.00 -0.57 0.00 0.00 43.02 40.49 1jxh s PHE 190 CO 0.02 0.15 0.28 0.99 -0.10 0.00 0.00 175.22 176.56 1jxh s THR 191 N -0.29 0.03 0.43 0.64 2.01 -0.62 -1.51 115.64 116.32 1jxh s THR 191 Ca 0.04 -1.62 0.12 0.00 0.31 0.00 0.00 61.69 60.55 1jxh s THR 191 Cb -0.13 -2.16 0.32 0.00 0.01 0.00 0.00 72.50 70.54 1jxh s THR 191 CO 0.02 -0.13 1.99 0.03 -0.69 0.00 0.00 174.62 175.84 1jxh h ARG 192 N 2.50 0.43 0.13 4.92 3.08 -1.97 -2.45 114.38 121.03 1jxh h ARG 192 Ca -0.31 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 1jxh h ARG 192 Cb 1.24 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1jxh h ARG 192 CO 0.47 0.29 -0.06 0.93 -1.07 0.00 0.00 179.97 180.52 1jxh h GLU 193 N 0.45 -0.16 0.00 0.04 4.39 -1.97 -3.49 114.58 113.84 1jxh h GLU 193 Ca 0.26 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1jxh h GLU 193 Cb 0.42 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1jxh h GLU 193 CO -0.07 -0.06 0.00 0.41 -1.16 0.00 0.00 179.01 178.13 1jxh n GLY 194 N -1.00 -0.63 3.58 -3.84 0.00 -0.92 -5.16 105.19 97.21 1jxh n GLY 194 Ca -0.08 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 1jxh n GLY 194 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jxh s GLU 195 N -1.07 2.06 -0.12 1.61 8.01 -1.26 -1.59 118.70 126.34 1jxh s GLU 195 Ca 0.00 -1.53 -0.06 0.00 0.01 0.00 0.00 54.97 53.39 1jxh s GLU 195 Cb 0.00 -2.02 0.05 0.00 -4.31 0.00 0.00 34.13 27.85 1jxh s GLU 195 CO 0.00 0.36 0.28 -1.14 0.01 0.00 0.00 175.26 174.77 1jxh s GLN 196 N -3.56 0.23 0.17 1.61 0.74 -0.57 -4.96 119.66 113.32 1jxh s GLN 196 Ca 0.30 0.61 -0.12 0.00 0.05 0.00 0.00 55.36 56.20 1jxh s GLN 196 Cb -0.06 -0.08 -0.07 0.00 1.10 0.00 0.00 33.01 33.89 1jxh s GLN 196 CO 0.18 -0.18 0.54 0.50 -0.55 0.00 0.00 175.29 175.78 1jxh s ARG 197 N 1.47 3.91 0.27 1.67 3.52 -1.26 -0.43 118.95 128.10 1jxh s ARG 197 Ca -0.08 0.40 0.02 0.00 -0.13 0.00 0.00 55.73 55.94 1jxh s ARG 197 Cb -0.10 -2.84 -0.04 0.00 -1.56 0.00 0.00 34.95 30.41 1jxh s ARG 197 CO -0.09 0.43 0.13 -0.06 -0.81 0.00 0.00 175.30 174.90 1jxh s PHE 198 N -1.58 1.50 0.33 5.12 0.08 0.11 -4.97 117.98 118.56 1jxh s PHE 198 Ca 0.41 -1.31 -0.05 0.00 0.12 0.00 0.00 56.93 56.10 1jxh s PHE 198 Cb -0.14 -0.81 0.02 0.00 -0.57 0.00 0.00 43.02 41.52 1jxh s PHE 198 CO 0.20 -0.48 0.52 0.54 -0.10 0.00 0.00 175.22 175.89 1jxh n ARG 202 N -0.48 0.74 -1.86 0.44 5.12 -1.26 -4.66 116.66 114.70 1jxh n ARG 202 Ca 0.01 -2.37 -0.42 0.00 -1.93 0.00 0.00 57.85 53.13 1jxh n ARG 202 Cb 0.66 2.45 -0.03 0.00 -1.16 0.00 0.00 32.46 34.37 1jxh n ARG 202 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1jxh s VAL 203 N -2.61 3.34 -0.25 1.55 1.01 -1.26 -4.88 120.40 117.29 1jxh s VAL 203 Ca 0.23 0.39 0.13 0.00 0.00 0.00 0.00 61.98 62.73 1jxh s VAL 203 Cb -0.02 -3.32 0.47 0.00 0.00 0.00 0.00 36.38 33.51 1jxh s VAL 203 CO 0.16 -0.11 1.17 -0.46 0.00 0.00 0.00 175.10 175.87 1jxh n ASN 204 N 8.53 3.35 -3.88 3.32 6.94 -1.26 -5.04 115.26 127.23 1jxh n ASN 204 Ca 0.21 -3.18 -0.10 0.00 -0.02 0.00 0.00 54.58 51.49 1jxh n ASN 204 Cb 0.43 -0.40 -0.09 0.00 -2.36 0.00 0.00 39.78 37.37 1jxh n ASN 204 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1jxh s THR 205 N -3.92 0.12 -0.40 5.53 -1.32 -1.26 -5.05 115.64 109.34 1jxh s THR 205 Ca 0.42 -1.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.12 1jxh s THR 205 Cb 0.38 -0.96 -0.19 0.00 -1.51 0.00 0.00 72.50 70.22 1jxh s THR 205 CO -0.01 -0.55 0.82 0.29 -2.21 0.00 0.00 174.62 172.96 1jxh n LYS 206 N 0.63 0.43 -2.70 7.08 5.02 -1.26 -4.68 118.16 122.68 1jxh n LYS 206 Ca -0.18 -0.05 -0.43 0.00 -2.02 0.00 0.00 58.31 55.62 1jxh n LYS 206 Cb 0.59 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1jxh n LYS 206 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jxh n ASN 207 N -2.11 5.03 -0.63 4.39 5.03 -1.26 -4.65 115.26 121.06 1jxh n ASN 207 Ca -0.00 -2.94 0.06 0.00 0.87 0.00 0.00 54.58 52.57 1jxh n ASN 207 Cb 0.49 -1.68 0.17 0.00 -1.02 0.00 0.00 39.78 37.73 1jxh n ASN 207 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1jxh n THR 208 N 5.70 1.42 -1.69 3.41 -2.24 -1.10 -4.12 114.28 115.66 1jxh n THR 208 Ca 0.45 -1.31 -0.44 0.00 -2.27 0.00 0.00 64.05 60.47 1jxh n THR 208 Cb 0.45 0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.89 1jxh n THR 208 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1jxh n HIS 209 N 0.03 2.52 -0.85 4.78 -0.00 -0.19 -1.93 115.22 119.58 1jxh n HIS 209 Ca 0.13 0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.86 1jxh n HIS 209 Cb 0.56 -2.67 0.00 0.00 -0.00 0.00 0.00 29.99 27.88 1jxh n HIS 209 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1jxh n GLY 210 N 4.00 0.57 0.11 1.57 0.00 -1.26 -3.66 105.19 106.52 1jxh n GLY 210 Ca 0.18 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1jxh n GLY 210 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jxh h THR 211 N 0.00 0.91 -0.37 2.61 2.02 -1.70 -0.73 112.91 115.65 1jxh h THR 211 Ca 0.00 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.17 1jxh h THR 211 Cb 0.00 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1jxh h THR 211 CO 0.00 0.02 0.15 1.23 0.37 0.00 0.00 175.52 177.29 1jxh h GLY 212 N 0.13 0.48 0.99 2.16 0.00 -1.93 0.32 103.07 105.23 1jxh h GLY 212 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1jxh h GLY 212 CO -0.12 0.05 0.32 0.00 0.00 0.00 0.00 176.54 176.79 1jxh h THR 214 N 0.75 1.21 -0.34 0.00 2.02 -0.64 -1.17 112.91 114.73 1jxh h THR 214 Ca 0.20 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 1jxh h THR 214 Cb 0.02 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1jxh h THR 214 CO -0.03 0.24 0.20 0.25 0.37 0.00 0.00 175.52 176.55 1jxh h LEU 215 N 0.45 0.42 -1.00 2.58 5.85 -0.88 0.82 115.31 123.54 1jxh h LEU 215 Ca 0.12 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1jxh h LEU 215 Cb 0.25 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1jxh h LEU 215 CO -0.00 0.36 -0.24 0.77 -0.34 0.00 0.00 178.44 178.99 1jxh h SER 216 N 0.44 0.43 -0.46 1.25 4.64 -1.41 -0.37 113.55 118.08 1jxh h SER 216 Ca 0.12 -0.14 -0.12 0.00 -0.47 0.00 0.00 61.79 61.18 1jxh h SER 216 Cb 0.02 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1jxh h SER 216 CO -0.02 0.67 -0.18 0.00 -0.87 0.00 0.00 176.83 176.44 1jxh h ALA 217 N 1.36 0.64 -0.50 5.18 0.00 -0.81 -2.18 119.26 122.94 1jxh h ALA 217 Ca 0.06 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1jxh h ALA 217 Cb 0.63 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1jxh h ALA 217 CO 0.05 0.59 0.20 0.00 0.00 0.00 0.00 179.25 180.09 1jxh h ALA 218 N 0.86 0.65 -0.77 0.00 0.00 -0.45 -0.54 119.26 119.00 1jxh h ALA 218 Ca 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1jxh h ALA 218 Cb 0.74 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1jxh h ALA 218 CO 0.06 0.25 0.41 -0.07 0.00 0.00 0.00 179.25 179.90 1jxh h LEU 219 N 0.66 0.96 -0.10 0.00 3.38 -0.99 -0.97 115.31 118.26 1jxh h LEU 219 Ca 0.17 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1jxh h LEU 219 Cb 0.19 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1jxh h LEU 219 CO -0.01 0.78 -0.04 0.00 0.09 0.00 0.00 178.44 179.26 1jxh h ALA 220 N 1.38 0.14 -0.41 1.53 0.00 -0.99 -1.81 119.26 119.10 1jxh h ALA 220 Ca 0.27 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1jxh h ALA 220 Cb 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1jxh h ALA 220 CO -0.04 -0.10 0.02 0.00 0.00 0.00 0.00 179.25 179.12 1jxh h ALA 221 N 0.66 1.28 0.00 0.00 0.00 -0.89 -3.20 119.26 117.11 1jxh h ALA 221 Ca 0.02 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1jxh h ALA 221 Cb 0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1jxh h ALA 221 CO 0.01 0.49 -0.96 -0.07 0.00 0.00 0.00 179.25 178.72 1jxh h LEU 222 N 0.61 0.00 -0.72 0.00 4.07 -1.20 -3.40 115.31 114.68 1jxh h LEU 222 Ca 0.13 0.00 0.15 0.00 0.08 0.00 0.00 57.88 58.24 1jxh h LEU 222 Cb 0.36 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 41.97 1jxh h LEU 222 CO 0.01 0.49 -0.10 -0.09 -1.08 0.00 0.00 178.44 177.67 1jxh h ARG 223 N 0.00 0.04 0.00 1.13 9.65 -1.31 0.12 114.38 124.00 1jxh h ARG 223 Ca -0.08 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1jxh h ARG 223 Cb 1.44 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.01 1jxh h ARG 223 CO 0.05 0.02 0.00 -1.35 2.80 0.00 0.00 179.97 181.49 1jxh h PRO 224 N 0.04 0.00 -0.16 0.20 0.11 -1.77 -2.20 132.00 128.21 1jxh h PRO 224 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 1jxh h PRO 224 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1jxh h PRO 224 CO -0.69 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.64 1jxh n ARG 225 N -2.59 2.06 -4.47 1.05 1.74 0.02 -4.95 116.66 109.51 1jxh n ARG 225 Ca -0.01 -1.57 -0.23 0.00 -0.77 0.00 0.00 57.85 55.28 1jxh n ARG 225 Cb 0.12 -1.46 -0.11 0.00 -1.02 0.00 0.00 32.46 30.00 1jxh n ARG 225 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1jxh s HIS 226 N -1.81 2.08 0.04 -1.55 3.76 -0.83 -5.06 115.29 111.92 1jxh s HIS 226 Ca 0.34 -0.76 -0.14 0.00 -0.15 0.00 0.00 55.06 54.35 1jxh s HIS 226 Cb 0.20 -1.29 -0.35 0.00 1.11 0.00 0.00 32.58 32.25 1jxh s HIS 226 CO 0.30 0.25 1.02 0.00 -0.85 0.00 0.00 174.74 175.46 1jxh h ARG 227 N 2.13 0.51 -4.49 1.40 3.08 -1.93 -3.49 114.38 111.59 1jxh h ARG 227 Ca -0.41 -0.86 -0.30 0.00 0.07 0.00 0.00 59.98 58.48 1jxh h ARG 227 Cb 1.24 0.32 -0.12 0.00 0.08 0.00 0.00 29.97 31.49 1jxh h ARG 227 CO 0.70 1.41 -0.44 -1.54 -1.07 0.00 0.00 179.97 179.04 1jxh s SER 228 N -7.53 0.73 0.29 7.04 1.04 -1.26 -5.04 113.70 108.97 1jxh s SER 228 Ca -0.08 -1.47 0.07 0.00 0.48 0.00 0.00 55.95 54.95 1jxh s SER 228 Cb 0.05 0.51 0.43 0.00 0.10 0.00 0.00 66.02 67.10 1jxh s SER 228 CO 0.94 -1.03 1.67 -0.50 0.98 0.00 0.00 173.24 175.31 1jxh h TRP 229 N 2.33 0.23 -0.34 5.02 4.06 -1.95 -2.66 115.95 122.64 1jxh h TRP 229 Ca -0.30 -0.07 0.02 0.00 2.06 0.00 0.00 58.89 60.61 1jxh h TRP 229 Cb 1.24 -0.05 -0.03 0.00 -1.00 0.00 0.00 29.16 29.33 1jxh h TRP 229 CO 0.98 0.63 0.17 0.78 -3.56 0.00 0.00 178.44 177.44 1jxh h GLY 230 N 1.33 0.46 0.81 1.49 0.00 -1.98 0.45 103.07 105.63 1jxh h GLY 230 Ca 0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 1jxh h GLY 230 CO 0.07 0.10 -0.03 0.83 0.00 0.00 0.00 176.54 177.51 1jxh h GLU 231 N 0.36 0.38 -0.37 4.80 5.08 -1.95 -1.65 114.58 121.23 1jxh h GLU 231 Ca 0.14 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1jxh h GLU 231 Cb 0.05 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1jxh h GLU 231 CO -0.09 0.60 -0.04 0.00 -1.00 0.00 0.00 179.01 178.48 1jxh h THR 232 N 0.11 1.22 -0.41 1.13 1.03 -1.24 -0.90 112.91 113.86 1jxh h THR 232 Ca 0.05 -0.92 -0.08 0.00 -0.01 0.00 0.00 66.41 65.45 1jxh h THR 232 Cb 0.45 0.98 -0.02 0.00 -1.07 0.00 0.00 68.15 68.50 1jxh h THR 232 CO 0.02 0.31 -0.09 0.58 -0.01 0.00 0.00 175.52 176.33 1jxh h VAL 233 N 0.56 1.25 -0.25 0.00 2.07 0.00 0.17 116.25 120.05 1jxh h VAL 233 Ca 0.11 -1.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.48 1jxh h VAL 233 Cb 0.41 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1jxh h VAL 233 CO 0.02 0.37 -0.09 -1.13 0.02 0.00 0.00 177.57 176.77 1jxh h ASN 234 N 0.65 0.51 -0.36 0.57 -0.73 -0.59 -2.15 115.58 113.48 1jxh h ASN 234 Ca 0.12 -0.38 -0.17 0.00 1.87 0.00 0.00 56.30 57.74 1jxh h ASN 234 Cb 0.53 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 38.98 1jxh h ASN 234 CO 0.03 0.78 -0.42 -0.08 -0.37 0.00 0.00 177.43 177.37 1jxh h GLU 235 N 0.24 0.93 -0.59 6.67 4.81 -1.04 -2.69 114.58 122.90 1jxh h GLU 235 Ca 0.06 -0.51 0.03 0.00 -0.13 0.00 0.00 59.36 58.81 1jxh h GLU 235 Cb 0.57 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 1jxh h GLU 235 CO 0.03 1.16 0.36 0.00 -0.73 0.00 0.00 179.01 179.83 1jxh h ALA 236 N 0.76 0.77 -0.51 2.92 0.00 -0.94 -1.13 119.26 121.13 1jxh h ALA 236 Ca 0.05 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1jxh h ALA 236 Cb 1.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1jxh h ALA 236 CO 0.10 0.09 -0.16 0.87 0.00 0.00 0.00 179.25 180.15 1jxh h LYS 237 N 0.71 1.00 -0.24 0.00 1.57 -1.38 -1.14 116.57 117.08 1jxh h LYS 237 Ca 0.24 -0.39 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1jxh h LYS 237 Cb 0.02 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1jxh h LYS 237 CO -0.10 1.07 0.14 0.00 -0.57 0.00 0.00 179.45 179.99 1jxh h ALA 238 N 0.93 0.30 -0.45 3.86 0.00 -1.12 -0.29 119.26 122.49 1jxh h ALA 238 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1jxh h ALA 238 Cb 0.73 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1jxh h ALA 238 CO 0.06 -0.25 0.28 2.35 0.00 0.00 0.00 179.25 181.69 1jxh h TRP 239 N 0.29 0.57 -0.50 0.00 7.01 -1.10 -2.54 115.95 119.69 1jxh h TRP 239 Ca 0.09 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 1jxh h TRP 239 Cb -0.01 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 1jxh h TRP 239 CO -0.08 0.38 0.29 1.25 -2.79 0.00 0.00 178.44 177.49 1jxh h LEU 240 N 0.60 0.61 -0.97 0.65 7.12 -0.83 -1.28 115.31 121.20 1jxh h LEU 240 Ca 0.16 -0.07 0.08 0.00 0.13 0.00 0.00 57.88 58.18 1jxh h LEU 240 Cb -0.04 -0.15 -0.07 0.00 -0.53 0.00 0.00 40.66 39.86 1jxh h LEU 240 CO -0.03 0.51 0.62 0.28 -0.13 0.00 0.00 178.44 179.68 1jxh h SER 241 N 0.66 0.97 -0.21 1.25 0.02 -0.88 0.59 113.55 115.95 1jxh h SER 241 Ca 0.18 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 1jxh h SER 241 Cb 0.02 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1jxh h SER 241 CO -0.03 0.59 -0.10 0.00 -1.14 0.00 0.00 176.83 176.15 1jxh h ALA 242 N 1.47 1.18 -0.44 3.77 0.00 -0.97 0.32 119.26 124.59 1jxh h ALA 242 Ca 0.44 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1jxh h ALA 242 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1jxh h ALA 242 CO -0.20 0.52 -0.31 0.00 0.00 0.00 0.00 179.25 179.27 1jxh h ALA 243 N 1.35 0.63 -0.19 0.00 0.00 0.02 -2.96 119.26 118.11 1jxh h ALA 243 Ca 0.10 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 1jxh h ALA 243 Cb 0.50 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1jxh h ALA 243 CO 0.03 0.68 -0.44 -0.07 0.00 0.00 0.00 179.25 179.45 1jxh h LEU 244 N 0.82 0.50 0.00 0.00 3.38 -0.64 -1.76 115.31 117.62 1jxh h LEU 244 Ca 0.09 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1jxh h LEU 244 Cb 0.90 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1jxh h LEU 244 CO 0.08 0.88 0.00 0.00 0.09 0.00 0.00 178.44 179.49 1jxh n ALA 245 N -2.50 1.63 0.13 1.53 0.00 0.07 -1.91 120.51 119.47 1jxh n ALA 245 Ca -0.02 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.39 1jxh n ALA 245 Cb 0.53 -1.20 0.01 0.00 0.00 0.00 0.00 19.45 18.79 1jxh n ALA 245 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jxh n GLN 246 N -1.43 0.39 -0.33 0.00 1.13 -1.06 -4.72 117.38 111.36 1jxh n GLN 246 Ca 0.04 -0.59 0.16 0.00 -1.94 0.00 0.00 57.00 54.67 1jxh n GLN 246 Cb 0.13 -1.00 0.39 0.00 0.11 0.00 0.00 30.24 29.86 1jxh n GLN 246 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jxh h ALA 247 N 0.60 1.85 0.00 -1.58 0.00 -0.99 -1.09 119.26 118.05 1jxh h ALA 247 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jxh h ALA 247 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1jxh h ALA 247 CO 0.00 -0.23 0.00 -0.44 0.00 0.00 0.00 179.25 178.58 1jxh h ASP 248 N 0.64 0.00 0.54 0.00 3.32 -1.85 -2.83 116.42 116.25 1jxh h ASP 248 Ca 0.57 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.62 1jxh h ASP 248 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1jxh h ASP 248 CO -0.35 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.52 1jxh n THR 249 N -2.95 0.15 -2.80 0.35 -2.24 -0.41 -4.81 114.28 101.57 1jxh n THR 249 Ca 0.01 0.04 -0.26 0.00 -2.27 0.00 0.00 64.05 61.56 1jxh n THR 249 Cb 0.29 -0.60 -0.00 0.00 -2.10 0.00 0.00 70.33 67.93 1jxh n THR 249 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jxh s LEU 250 N -2.62 3.69 -0.52 3.22 1.43 -1.07 -5.04 118.68 117.77 1jxh s LEU 250 Ca 0.24 0.78 0.06 0.00 -1.03 0.00 0.00 54.13 54.18 1jxh s LEU 250 Cb 0.18 -3.70 0.36 0.00 0.03 0.00 0.00 46.19 43.05 1jxh s LEU 250 CO 0.41 -0.55 0.94 -0.62 0.23 0.00 0.00 176.35 176.76 1jxh n GLU 251 N -2.17 2.87 -4.63 1.70 1.02 -1.26 -5.05 120.64 113.12 1jxh n GLU 251 Ca -0.00 -4.55 -0.27 0.00 -0.02 0.00 0.00 57.16 52.31 1jxh n GLU 251 Cb 0.56 -2.13 -0.17 0.00 -0.02 0.00 0.00 31.44 29.68 1jxh n GLU 251 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1jxh s VAL 252 N -4.27 1.43 0.00 2.62 0.11 -1.26 -5.08 120.40 113.95 1jxh s VAL 252 Ca 0.47 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 1jxh s VAL 252 Cb 0.31 -1.29 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1jxh s VAL 252 CO -0.13 0.42 0.00 0.61 -3.33 0.00 0.00 175.10 172.67 1jxh n GLY 253 N 3.95 -1.59 0.15 6.54 0.00 -1.26 -4.54 105.19 108.44 1jxh n GLY 253 Ca -0.20 -1.56 0.04 0.00 0.00 0.00 0.00 46.02 44.30 1jxh n GLY 253 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jxh n LYS 254 N -1.57 2.54 0.00 1.61 5.02 -1.26 -4.95 118.16 119.54 1jxh n LYS 254 Ca 0.00 -0.46 0.00 0.00 -2.02 0.00 0.00 58.31 55.83 1jxh n LYS 254 Cb 0.00 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1jxh n LYS 254 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jxh n GLY 255 N 0.85 0.90 3.50 0.72 0.00 -1.26 -5.00 105.19 104.91 1jxh n GLY 255 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1jxh n GLY 255 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jxh s ILE 256 N 3.55 4.98 0.99 -0.61 1.01 0.40 -4.96 121.20 126.55 1jxh s ILE 256 Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.41 1jxh s ILE 256 Cb 0.00 -4.10 0.18 0.00 0.01 0.00 0.00 42.46 38.56 1jxh s ILE 256 CO 0.00 -0.47 1.08 -0.83 0.00 0.00 0.00 174.94 174.72 1jxh s GLY 257 N 1.88 1.58 0.54 6.18 0.00 -1.26 -4.41 107.32 111.82 1jxh s GLY 257 Ca 0.17 -0.20 -0.00 0.00 0.00 0.00 0.00 44.72 44.69 1jxh s GLY 257 CO 0.16 0.39 0.77 2.56 0.00 0.00 0.00 173.10 176.97 1jxh s PRO 258 N -4.87 2.70 0.99 2.90 0.04 -1.26 -1.03 135.00 134.47 1jxh s PRO 258 Ca 0.65 -0.60 -0.15 0.00 0.04 0.00 0.00 61.00 60.95 1jxh s PRO 258 Cb -0.19 -2.47 0.19 0.00 0.04 0.00 0.00 34.50 32.06 1jxh s PRO 258 CO 0.58 -0.62 1.17 0.14 0.04 0.00 0.00 177.00 178.31 1jxh s VAL 259 N -2.76 1.91 -0.67 -0.36 -7.23 -1.24 -4.70 120.40 105.36 1jxh s VAL 259 Ca 0.55 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.61 1jxh s VAL 259 Cb -0.10 -2.73 0.17 0.00 0.56 0.00 0.00 36.38 34.28 1jxh s VAL 259 CO 0.39 0.00 0.57 -2.28 -0.31 0.00 0.00 175.10 173.47 1jxh s HIS 260 N -3.33 3.54 0.51 2.82 2.46 -0.70 -4.89 115.29 115.70 1jxh s HIS 260 Ca 0.67 -2.02 0.21 0.00 0.47 0.00 0.00 55.06 54.40 1jxh s HIS 260 Cb -0.12 -3.62 1.29 0.00 -0.13 0.00 0.00 32.58 30.01 1jxh s HIS 260 CO 0.54 -0.96 2.01 0.45 -2.47 0.00 0.00 174.74 174.31 1jxh h HIS 261 N 7.93 0.10 -0.67 3.88 3.86 -1.94 -2.55 115.15 125.76 1jxh h HIS 261 Ca -0.05 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.82 1jxh h HIS 261 Cb 1.04 -0.03 -0.20 0.00 1.06 0.00 0.00 27.41 29.27 1jxh h HIS 261 CO 0.84 0.05 0.28 1.19 0.86 0.00 0.00 177.93 181.15 1jxh n PHE 262 N -4.42 2.09 -0.08 2.45 3.72 -1.26 -4.66 117.46 115.30 1jxh n PHE 262 Ca 0.08 -1.71 0.24 0.00 -0.05 0.00 0.00 57.45 56.01 1jxh n PHE 262 Cb 0.48 -0.72 0.71 0.00 -0.94 0.00 0.00 39.48 39.02 1jxh n PHE 262 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 1jxh h HIS 263 N 1.06 0.00 0.00 1.38 2.07 -1.82 0.19 115.15 118.03 1jxh h HIS 263 Ca 0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.94 1jxh h HIS 263 Cb 2.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.25 1jxh h HIS 263 CO 1.32 0.00 -0.14 0.00 -3.07 0.00 0.00 177.93 176.03 1jxh n ALA 264 N -2.65 2.60 -0.04 6.11 0.00 -1.26 -4.30 120.51 120.97 1jxh n ALA 264 Ca 0.14 -0.15 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 1jxh n ALA 264 Cb 0.77 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 1jxh n ALA 264 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1jxh n TRP 265 N -1.68 0.00 -1.83 0.00 8.01 0.56 -5.27 117.44 117.23 1jxh n TRP 265 Ca 0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.25 1jxh n TRP 265 Cb 0.36 -0.33 0.00 0.00 -2.01 0.00 0.00 31.31 29.33 1jxh n TRP 265 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.69 174.01