#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 2.67 0.01 0.03 -2.07 -1.26 -4.94 119.66 114.11 1jxh s GLN 2 Ca 0.00 1.91 -0.30 0.00 -1.82 0.00 0.00 55.36 55.14 1jxh s GLN 2 Cb 0.00 -1.88 -0.04 0.00 -1.09 0.00 0.00 33.01 30.00 1jxh s GLN 2 CO 0.00 -1.46 1.15 1.03 -1.32 0.00 0.00 175.29 174.69 1jxh s ARG 3 N -3.45 4.43 -0.06 9.60 1.81 -1.26 -5.03 118.95 124.99 1jxh s ARG 3 Ca 0.79 1.67 0.04 0.00 -1.72 0.00 0.00 55.73 56.51 1jxh s ARG 3 Cb -0.33 -3.43 0.00 0.00 -0.45 0.00 0.00 34.95 30.74 1jxh s ARG 3 CO 0.38 -0.27 -0.19 -1.50 -0.68 0.00 0.00 175.30 173.04 1jxh s ILE 4 N 1.39 1.59 -0.18 1.52 2.07 -1.26 -5.07 121.20 121.26 1jxh s ILE 4 Ca 0.56 -0.78 -0.06 0.00 -1.41 0.00 0.00 60.65 58.97 1jxh s ILE 4 Cb -0.26 -1.38 -0.03 0.00 0.13 0.00 0.00 42.46 40.92 1jxh s ILE 4 CO 0.27 0.45 0.02 0.20 -1.91 0.00 0.00 174.94 173.97 1jxh s ASN 5 N 0.21 5.16 -0.01 4.50 0.01 -1.26 -1.28 114.94 122.27 1jxh s ASN 5 Ca -0.09 -0.06 0.07 0.00 -0.71 0.00 0.00 52.86 52.06 1jxh s ASN 5 Cb -0.14 -1.87 -0.02 0.00 0.41 0.00 0.00 41.25 39.62 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 0.56 2.39 -0.02 0.60 0.00 0.79 -0.93 121.76 125.16 1jxh s ALA 6 Ca 0.00 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 50.94 1jxh s ALA 6 Cb -0.14 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1jxh s ALA 6 CO 0.02 0.54 -0.25 -1.17 0.00 0.00 0.00 175.76 174.90 1jxh s LEU 7 N -0.83 2.12 -0.05 0.00 2.96 -0.27 -0.48 118.68 122.13 1jxh s LEU 7 Ca 0.11 -0.46 0.06 0.00 -0.22 0.00 0.00 54.13 53.63 1jxh s LEU 7 Cb -0.10 -1.35 -0.01 0.00 0.50 0.00 0.00 46.19 45.22 1jxh s LEU 7 CO 0.01 0.32 -0.25 0.28 -1.32 0.00 0.00 176.35 175.39 1jxh s THR 8 N -0.64 2.00 -0.32 3.68 -1.32 -0.63 -0.62 115.64 117.79 1jxh s THR 8 Ca 0.10 -1.04 0.03 0.00 -1.21 0.00 0.00 61.69 59.57 1jxh s THR 8 Cb -0.10 -1.68 0.09 0.00 -1.51 0.00 0.00 72.50 69.29 1jxh s THR 8 CO -0.01 0.56 0.01 -0.63 -2.21 0.00 0.00 174.62 172.34 1jxh s ILE 9 N -0.23 2.17 0.10 5.08 1.01 -0.36 -0.28 121.20 128.69 1jxh s ILE 9 Ca -0.01 -2.10 -0.07 0.00 0.00 0.00 0.00 60.65 58.47 1jxh s ILE 9 Cb -0.13 -2.52 0.03 0.00 0.01 0.00 0.00 42.46 39.85 1jxh s ILE 9 CO 0.03 -0.45 0.34 0.00 0.00 0.00 0.00 174.94 174.86 1jxh n ALA 10 N 4.33 -0.84 -1.98 9.38 0.00 -0.75 -0.41 120.51 130.24 1jxh n ALA 10 Ca -0.01 -0.42 -0.24 0.00 0.00 0.00 0.00 53.44 52.78 1jxh n ALA 10 Cb 0.42 0.28 0.09 0.00 0.00 0.00 0.00 19.45 20.25 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 -2.14 1.77 0.29 0.00 0.00 -1.26 -1.14 107.32 104.84 1jxh s GLY 11 Ca 0.07 -1.54 0.08 0.00 0.00 0.00 0.00 44.72 43.33 1jxh s GLY 11 CO 0.03 -1.04 0.13 -0.51 0.00 0.00 0.00 173.10 171.72 1jxh s THR 12 N -3.12 3.59 -0.25 0.90 -4.23 -1.05 -0.65 115.64 110.84 1jxh s THR 12 Ca 0.64 -1.64 -0.04 0.00 -1.18 0.00 0.00 61.69 59.48 1jxh s THR 12 Cb -0.07 -3.08 0.09 0.00 1.34 0.00 0.00 72.50 70.79 1jxh s THR 12 CO 0.44 -0.28 0.16 -0.62 -0.54 0.00 0.00 174.62 173.77 1jxh s ASP 13 N -3.81 2.65 0.39 3.99 2.15 -1.26 -4.18 116.67 116.60 1jxh s ASP 13 Ca 0.35 -0.89 0.09 0.00 0.43 0.00 0.00 52.55 52.54 1jxh s ASP 13 Cb -0.06 -0.09 0.87 0.00 -0.30 0.00 0.00 42.92 43.35 1jxh s ASP 13 CO 0.23 -0.39 1.97 -0.65 -0.17 0.00 0.00 175.17 176.15 1jxh h PRO 14 N 8.38 0.58 0.00 4.34 0.11 -1.78 -0.03 132.00 143.59 1jxh h PRO 14 Ca -0.17 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1jxh h PRO 14 Cb 1.08 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1jxh h PRO 14 CO 0.36 0.38 0.00 -1.13 -0.21 0.00 0.00 178.00 177.41 1jxh n SER 15 N -4.48 0.00 -0.37 -2.05 3.41 -1.26 -4.88 113.62 103.99 1jxh n SER 15 Ca 0.10 -0.54 -0.05 0.00 -0.26 0.00 0.00 58.87 58.12 1jxh n SER 15 Cb 0.29 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.22 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 0.08 0.63 0.04 5.00 0.00 -0.03 -4.90 105.19 106.02 1jxh n GLY 16 Ca 0.13 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.84 -1.01 0.00 -0.02 0.00 -1.26 -4.36 105.19 97.69 1jxh n GLY 17 Ca -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.42 0.00 -0.97 4.61 0.00 -1.26 -4.31 120.51 116.16 1jxh n ALA 18 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1jxh n ALA 18 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.22 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 2.34 0.94 0.31 0.00 0.00 -1.26 -1.51 105.19 106.01 1jxh n GLY 19 Ca 0.00 -0.81 0.18 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.30 -0.61 3.07 -1.18 -0.95 117.51 117.83 1jxh h ILE 20 Ca 0.00 -0.10 -0.03 0.00 1.55 0.00 0.00 64.86 66.28 1jxh h ILE 20 Cb 0.00 1.08 -0.01 0.00 -0.27 0.00 0.00 36.82 37.61 1jxh h ILE 20 CO 0.00 0.02 0.07 1.56 -1.05 0.00 0.00 178.15 178.75 1jxh h GLN 21 N 0.00 0.49 -0.29 0.16 7.50 -1.79 0.87 115.11 122.04 1jxh h GLN 21 Ca -0.00 -0.12 -0.10 0.00 0.50 0.00 0.00 58.65 58.93 1jxh h GLN 21 Cb 0.07 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.54 1jxh h GLN 21 CO 0.00 0.56 -0.21 0.00 -1.50 0.00 0.00 178.83 177.69 1jxh h ALA 22 N 0.90 0.42 -0.08 3.87 0.00 -0.17 -2.09 119.26 122.11 1jxh h ALA 22 Ca 0.09 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1jxh h ALA 22 Cb 0.30 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1jxh h ALA 22 CO 0.00 0.37 -0.07 -0.44 0.00 0.00 0.00 179.25 179.12 1jxh h ASP 23 N 0.41 -0.21 -0.81 0.00 3.32 -1.07 -0.40 116.42 117.66 1jxh h ASP 23 Ca 0.06 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1jxh h ASP 23 Cb 0.76 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.38 1jxh h ASP 23 CO 0.06 -0.09 0.46 -0.07 -1.72 0.00 0.00 179.24 177.87 1jxh h LEU 24 N -0.08 1.00 -0.46 1.55 4.07 -0.85 0.75 115.31 121.29 1jxh h LEU 24 Ca 0.06 -0.09 -0.05 0.00 0.08 0.00 0.00 57.88 57.88 1jxh h LEU 24 Cb 0.16 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 1jxh h LEU 24 CO -0.13 0.79 0.10 0.11 -1.08 0.00 0.00 178.44 178.23 1jxh h LYS 25 N 1.12 0.74 -0.26 1.13 1.57 -0.99 -1.10 116.57 118.78 1jxh h LYS 25 Ca 0.29 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1jxh h LYS 25 Cb 0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1jxh h LYS 25 CO -0.05 0.74 0.15 1.15 -0.57 0.00 0.00 179.45 180.87 1jxh h THR 26 N 0.61 1.11 0.12 -0.16 2.02 -0.73 0.16 112.91 116.04 1jxh h THR 26 Ca 0.14 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 67.07 1jxh h THR 26 Cb 0.34 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1jxh h THR 26 CO 0.00 0.11 -0.32 -0.26 0.37 0.00 0.00 175.52 175.42 1jxh h PHE 27 N 0.32 -0.88 -0.52 3.16 0.05 -0.69 -1.66 116.94 116.71 1jxh h PHE 27 Ca 0.09 0.02 0.10 0.00 3.82 0.00 0.00 57.97 62.00 1jxh h PHE 27 Cb 0.04 0.37 -0.08 0.00 2.00 0.00 0.00 35.95 38.28 1jxh h PHE 27 CO -0.04 -0.43 0.02 0.77 -0.18 0.00 0.00 178.31 178.45 1jxh h SER 28 N -0.55 -0.17 0.62 2.17 0.02 -0.85 -0.85 113.55 113.93 1jxh h SER 28 Ca 0.03 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1jxh h SER 28 Cb 0.58 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1jxh h SER 28 CO -0.19 -0.06 0.00 0.00 -1.14 0.00 0.00 176.83 175.44 1jxh h ALA 29 N 1.45 1.00 -0.33 3.77 0.00 -0.33 -2.97 119.26 121.86 1jxh h ALA 29 Ca 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1jxh h ALA 29 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1jxh h ALA 29 CO -0.42 0.00 0.01 1.28 0.00 0.00 0.00 179.25 180.12 1jxh n LEU 30 N -2.97 4.26 -1.32 0.00 4.77 -0.38 -4.99 117.00 116.38 1jxh n LEU 30 Ca -0.01 -3.04 -0.08 0.00 -0.03 0.00 0.00 56.01 52.86 1jxh n LEU 30 Cb 0.21 -0.58 0.02 0.00 -2.33 0.00 0.00 43.42 40.74 1jxh n LEU 30 CO 0.23 0.69 0.03 0.61 -1.33 0.00 0.00 177.39 177.63 1jxh n GLY 31 N -0.35 0.35 3.04 -0.72 0.00 -1.06 -4.88 105.19 101.58 1jxh n GLY 31 Ca 0.23 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.89 0.88 0.03 4.61 0.00 -0.89 -4.64 121.76 118.86 1jxh s ALA 32 Ca 0.14 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 1jxh s ALA 32 Cb -0.06 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 1jxh s ALA 32 CO 0.17 0.20 1.21 -0.47 0.00 0.00 0.00 175.76 176.88 1jxh s TYR 33 N -0.17 3.35 -0.13 0.00 5.04 -0.40 -3.65 117.35 121.38 1jxh s TYR 33 Ca 0.03 1.25 -0.06 0.00 -2.44 0.00 0.00 57.07 55.85 1jxh s TYR 33 Cb -0.05 -3.44 -0.04 0.00 0.35 0.00 0.00 41.96 38.78 1jxh s TYR 33 CO -0.00 -1.37 0.09 0.20 -1.34 0.00 0.00 175.55 173.13 1jxh s GLY 34 N 1.20 2.03 0.24 8.97 0.00 -1.26 -0.14 107.32 118.36 1jxh s GLY 34 Ca 0.58 -0.70 0.11 0.00 0.00 0.00 0.00 44.72 44.71 1jxh s GLY 34 CO 0.28 -0.33 -0.19 0.00 0.00 0.00 0.00 173.10 172.85 1jxh s SER 36 N -3.27 -0.69 -0.20 0.00 1.04 -1.26 -1.60 113.70 107.72 1jxh s SER 36 Ca 0.26 1.20 -0.06 0.00 0.48 0.00 0.00 55.95 57.82 1jxh s SER 36 Cb -0.04 1.29 -0.03 0.00 0.10 0.00 0.00 66.02 67.34 1jxh s SER 36 CO 0.12 -0.22 0.03 -0.69 0.98 0.00 0.00 173.24 173.46 1jxh s VAL 37 N 1.93 4.28 -0.19 5.02 1.01 0.61 -4.96 120.40 128.09 1jxh s VAL 37 Ca -0.08 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 1jxh s VAL 37 Cb -0.09 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1jxh s VAL 37 CO -0.16 0.42 0.58 -0.63 0.00 0.00 0.00 175.10 175.31 1jxh s ILE 38 N 0.91 5.06 -0.12 2.22 1.01 -1.26 -1.82 121.20 127.21 1jxh s ILE 38 Ca 0.02 1.09 0.21 0.00 0.00 0.00 0.00 60.65 61.96 1jxh s ILE 38 Cb -0.14 -3.90 -0.22 0.00 0.01 0.00 0.00 42.46 38.21 1jxh s ILE 38 CO 0.02 0.15 0.59 0.35 0.00 0.00 0.00 174.94 176.06 1jxh n THR 39 N 4.57 0.57 -3.59 2.92 -2.24 -0.30 -4.74 114.28 111.47 1jxh n THR 39 Ca -0.03 -0.60 -0.11 0.00 -2.27 0.00 0.00 64.05 61.04 1jxh n THR 39 Cb 0.50 -0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.40 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 -3.22 -1.92 0.03 6.98 0.00 -1.26 -4.26 121.76 118.11 1jxh s ALA 40 Ca -0.06 1.64 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1jxh s ALA 40 Cb 0.11 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 1jxh s ALA 40 CO 0.85 -0.30 0.10 -0.51 0.00 0.00 0.00 175.76 175.90 1jxh s LEU 41 N -0.76 3.94 -0.10 0.00 1.43 -0.56 -2.54 118.68 120.09 1jxh s LEU 41 Ca -0.02 0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 53.14 1jxh s LEU 41 Cb -0.02 -2.42 0.03 0.00 0.03 0.00 0.00 46.19 43.82 1jxh s LEU 41 CO 0.01 0.23 0.24 0.54 0.23 0.00 0.00 176.35 177.60 1jxh s VAL 42 N -1.29 -0.02 -0.73 -1.59 0.11 -1.26 -0.23 120.40 115.40 1jxh s VAL 42 Ca 0.26 0.07 -0.25 0.00 -2.93 0.00 0.00 61.98 59.13 1jxh s VAL 42 Cb -0.12 -0.36 0.05 0.00 -1.53 0.00 0.00 36.38 34.42 1jxh s VAL 42 CO 0.18 0.03 1.14 0.00 -3.33 0.00 0.00 175.10 173.12 1jxh s ALA 43 N 0.66 2.93 0.30 1.54 0.00 0.49 -4.30 121.76 123.39 1jxh s ALA 43 Ca -0.04 -1.67 0.09 0.00 0.00 0.00 0.00 51.96 50.34 1jxh s ALA 43 Cb -0.06 -4.09 -0.05 0.00 0.00 0.00 0.00 23.12 18.92 1jxh s ALA 43 CO -0.04 -3.07 0.00 -2.00 0.00 0.00 0.00 175.76 170.65 1jxh s GLU 44 N 4.86 2.17 0.21 0.00 2.12 -1.26 -0.90 118.70 125.88 1jxh s GLU 44 Ca 0.30 -1.59 -0.10 0.00 0.36 0.00 0.00 54.97 53.95 1jxh s GLU 44 Cb -0.11 -2.04 -0.01 0.00 0.26 0.00 0.00 34.13 32.22 1jxh s GLU 44 CO 0.11 0.25 0.35 1.21 -0.54 0.00 0.00 175.26 176.64 1jxh s ASN 45 N -3.69 -0.01 0.00 -1.70 3.84 0.27 -4.15 114.94 109.50 1jxh s ASN 45 Ca 0.33 -0.95 0.22 0.00 0.21 0.00 0.00 52.86 52.67 1jxh s ASN 45 Cb -0.04 0.50 0.96 0.00 -0.55 0.00 0.00 41.25 42.12 1jxh s ASN 45 CO 0.20 -0.99 1.70 1.07 -2.79 0.00 0.00 177.10 176.29 1jxh n THR 46 N -0.30 0.47 0.40 -5.21 5.66 -1.26 -2.01 114.28 112.03 1jxh n THR 46 Ca -0.04 0.12 0.08 0.00 -3.05 0.00 0.00 64.05 61.16 1jxh n THR 46 Cb 0.63 -0.74 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 0.89 0.79 3.68 0.00 0.00 -0.85 -5.02 105.19 104.68 1jxh n GLY 48 Ca 0.11 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.91 5.06 -0.12 1.61 1.01 -1.26 -0.56 120.40 125.22 1jxh s VAL 49 Ca 0.00 1.15 -0.11 0.00 0.00 0.00 0.00 61.98 63.02 1jxh s VAL 49 Cb 0.00 -3.92 -0.26 0.00 0.00 0.00 0.00 36.38 32.20 1jxh s VAL 49 CO 0.00 0.17 0.42 1.56 0.00 0.00 0.00 175.10 177.24 1jxh h GLN 50 N 7.27 0.24 -1.91 2.72 7.50 -1.37 -3.49 115.11 126.06 1jxh h GLN 50 Ca -0.34 -0.41 0.12 0.00 0.50 0.00 0.00 58.65 58.52 1jxh h GLN 50 Cb 1.16 0.15 -0.19 0.00 0.05 0.00 0.00 27.48 28.65 1jxh h GLN 50 CO 0.76 1.20 0.56 -1.54 -1.50 0.00 0.00 178.83 178.30 1jxh s SER 51 N -7.05 -0.34 -0.05 1.46 1.04 -1.11 -5.00 113.70 102.65 1jxh s SER 51 Ca -0.22 0.14 0.05 0.00 0.48 0.00 0.00 55.95 56.40 1jxh s SER 51 Cb 0.06 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 1jxh s SER 51 CO 0.75 -0.47 -0.18 -0.69 0.98 0.00 0.00 173.24 173.63 1jxh s VAL 52 N -2.30 2.69 -0.21 5.02 1.01 -1.26 -0.38 120.40 124.96 1jxh s VAL 52 Ca 0.03 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1jxh s VAL 52 Cb -0.01 -2.02 0.03 0.00 0.00 0.00 0.00 36.38 34.38 1jxh s VAL 52 CO -0.05 0.58 -0.15 -0.47 0.00 0.00 0.00 175.10 175.02 1jxh s TYR 53 N -0.58 2.96 0.35 5.22 5.04 0.68 -4.99 117.35 126.03 1jxh s TYR 53 Ca 0.08 -1.78 -0.16 0.00 -2.44 0.00 0.00 57.07 52.78 1jxh s TYR 53 Cb -0.11 -1.95 -0.09 0.00 0.35 0.00 0.00 41.96 40.15 1jxh s TYR 53 CO 0.01 -0.80 0.79 -0.98 -1.34 0.00 0.00 175.55 173.22 1jxh s ARG 54 N 1.26 4.04 0.01 4.97 1.70 -1.26 -1.50 118.95 128.16 1jxh s ARG 54 Ca 0.01 0.76 0.04 0.00 -0.47 0.00 0.00 55.73 56.06 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 -0.09 0.10 -0.08 0.42 -1.08 0.00 0.00 175.30 174.57 1jxh s ILE 55 N -2.06 3.58 0.12 4.99 -1.09 -1.26 -4.91 121.20 120.57 1jxh s ILE 55 Ca 0.56 -0.81 -0.31 0.00 -2.23 0.00 0.00 60.65 57.86 1jxh s ILE 55 Cb -0.10 -2.55 -0.09 0.00 -1.58 0.00 0.00 42.46 38.14 1jxh s ILE 55 CO 0.17 0.39 1.59 -1.61 -1.23 0.00 0.00 174.94 174.25 1jxh s GLU 56 N -1.42 4.22 0.48 2.79 0.41 -1.26 -4.86 118.70 119.05 1jxh s GLU 56 Ca 0.17 2.32 0.29 0.00 -0.41 0.00 0.00 54.97 57.34 1jxh s GLU 56 Cb -0.11 -3.36 1.37 0.00 -1.78 0.00 0.00 34.13 30.24 1jxh s GLU 56 CO 0.07 -0.65 1.77 -1.35 -0.49 0.00 0.00 175.26 174.62 1jxh h PRO 57 N 7.48 0.16 -0.54 0.39 0.11 -1.95 0.26 132.00 137.91 1jxh h PRO 57 Ca -0.42 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1jxh h PRO 57 Cb 1.20 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1jxh h PRO 57 CO 0.92 0.11 0.20 -0.44 -0.21 0.00 0.00 178.00 178.57 1jxh h ASP 58 N 0.16 0.72 0.93 -2.05 5.19 -1.93 -1.10 116.42 118.34 1jxh h ASP 58 Ca 0.61 -0.09 -0.13 0.00 -0.62 0.00 0.00 57.03 56.79 1jxh h ASP 58 Cb 2.02 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 41.33 1jxh h ASP 58 CO -0.16 0.66 -0.62 0.15 -3.12 0.00 0.00 179.24 176.15 1jxh h PHE 59 N 0.78 0.00 -0.38 4.55 3.57 -0.86 -0.28 116.94 124.32 1jxh h PHE 59 Ca 0.18 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 1jxh h PHE 59 Cb 0.18 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1jxh h PHE 59 CO 0.01 0.62 0.02 0.28 -2.23 0.00 0.00 178.31 177.01 1jxh h VAL 60 N 0.00 1.25 -0.65 1.41 2.07 -1.09 0.14 116.25 119.39 1jxh h VAL 60 Ca -0.01 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 1jxh h VAL 60 Cb 1.25 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 1jxh h VAL 60 CO 0.08 0.32 0.32 0.00 0.02 0.00 0.00 177.57 178.31 1jxh h ALA 61 N 0.89 0.83 -0.75 1.67 0.00 -1.02 0.12 119.26 121.00 1jxh h ALA 61 Ca 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jxh h ALA 61 Cb 0.43 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1jxh h ALA 61 CO 0.02 0.38 0.47 0.00 0.00 0.00 0.00 179.25 180.11 1jxh h ALA 62 N 1.15 0.95 -0.38 0.00 0.00 -0.65 0.44 119.26 120.77 1jxh h ALA 62 Ca 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1jxh h ALA 62 Cb 0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1jxh h ALA 62 CO -0.03 0.40 0.18 1.96 0.00 0.00 0.00 179.25 181.77 1jxh h GLN 63 N 1.02 0.54 -0.75 0.00 4.20 -0.02 -0.82 115.11 119.29 1jxh h GLN 63 Ca 0.27 -0.08 0.05 0.00 0.06 0.00 0.00 58.65 58.95 1jxh h GLN 63 Cb -0.06 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.57 1jxh h GLN 63 CO -0.05 0.48 0.45 -0.07 -0.67 0.00 0.00 178.83 178.97 1jxh h LEU 64 N 0.47 0.71 -0.51 1.46 -0.00 -0.14 -2.41 115.31 114.90 1jxh h LEU 64 Ca 0.13 0.02 -0.07 0.00 -0.00 0.00 0.00 57.88 57.96 1jxh h LEU 64 Cb 0.11 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.62 1jxh h LEU 64 CO -0.02 0.47 0.05 0.44 -0.00 0.00 0.00 178.44 179.38 1jxh h ASP 65 N 0.84 0.84 -0.65 -0.43 3.32 -0.52 -0.84 116.42 118.97 1jxh h ASP 65 Ca 0.32 -0.28 0.07 0.00 0.02 0.00 0.00 57.03 57.16 1jxh h ASP 65 Cb 0.13 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 1jxh h ASP 65 CO -0.16 0.91 0.43 0.28 -1.72 0.00 0.00 179.24 178.98 1jxh h SER 66 N 0.73 0.56 0.01 6.45 0.02 -0.71 -1.27 113.55 119.34 1jxh h SER 66 Ca 0.15 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1jxh h SER 66 Cb 0.45 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1jxh h SER 66 CO 0.02 0.36 -0.00 0.58 -1.14 0.00 0.00 176.83 176.64 1jxh h VAL 67 N 0.64 0.53 0.00 2.27 2.07 -1.14 -3.34 116.25 117.28 1jxh h VAL 67 Ca 0.28 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1jxh h VAL 67 Cb 0.30 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1jxh h VAL 67 CO -0.09 0.18 -0.04 -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 -1.12 0.33 116.94 116.75 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 0.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.45 1jxh h PHE 68 CO 0.08 0.04 -0.03 -1.13 -0.60 0.00 0.00 178.31 176.68 1jxh n SER 69 N -3.31 0.93 0.00 2.17 3.41 -0.48 -4.47 113.62 111.87 1jxh n SER 69 Ca -0.02 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.38 1jxh n SER 69 Cb 0.20 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 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 -0.34 0.40 -4.43 4.04 2.03 -0.69 -5.07 116.55 112.48 1jxh n ASP 70 Ca 0.19 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.17 1jxh n ASP 70 Cb 0.28 0.02 -0.13 0.00 -0.72 0.00 0.00 41.12 40.57 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 -1.09 3.37 -0.14 5.18 1.01 0.11 -5.07 120.40 123.76 1jxh s VAL 71 Ca 0.00 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 1jxh s VAL 71 Cb 0.00 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1jxh s VAL 71 CO 0.00 0.52 1.38 -0.60 0.00 0.00 0.00 175.10 176.40 1jxh s ARG 72 N 0.25 4.19 -0.27 2.72 3.52 -1.26 -4.50 118.95 123.60 1jxh s ARG 72 Ca -0.07 1.79 -0.10 0.00 -0.13 0.00 0.00 55.73 57.23 1jxh s ARG 72 Cb -0.15 -3.84 -0.04 0.00 -1.56 0.00 0.00 34.95 29.36 1jxh s ARG 72 CO 0.04 -0.78 0.16 0.42 -0.81 0.00 0.00 175.30 174.33 1jxh s ILE 73 N 3.73 5.04 -0.07 4.11 -1.09 -1.26 -4.56 121.20 127.10 1jxh s ILE 73 Ca 0.60 0.08 0.14 0.00 -2.23 0.00 0.00 60.65 59.24 1jxh s ILE 73 Cb -0.25 -3.39 -0.22 0.00 -1.58 0.00 0.00 42.46 37.02 1jxh s ILE 73 CO 0.19 0.28 0.62 0.47 -1.23 0.00 0.00 174.94 175.27 1jxh n ASP 74 N 4.97 0.78 -3.88 3.58 8.00 -0.11 -4.80 116.55 125.08 1jxh n ASP 74 Ca -0.15 0.37 -0.10 0.00 0.71 0.00 0.00 54.79 55.62 1jxh n ASP 74 Cb 0.52 0.07 -0.09 0.00 -0.02 0.00 0.00 41.12 41.60 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 -2.62 0.10 -0.02 -3.53 -4.23 -1.12 -4.60 115.64 99.63 1jxh s THR 75 Ca -0.05 -0.87 -0.01 0.00 -1.18 0.00 0.00 61.69 59.58 1jxh s THR 75 Cb 0.08 -0.71 0.01 0.00 1.34 0.00 0.00 72.50 73.21 1jxh s THR 75 CO 0.82 -0.48 0.05 -0.89 -0.54 0.00 0.00 174.62 173.58 1jxh s THR 76 N -2.09 -0.00 -0.05 3.99 2.01 -0.91 -1.11 115.64 117.48 1jxh s THR 76 Ca -0.09 0.01 0.06 0.00 0.31 0.00 0.00 61.69 61.98 1jxh s THR 76 Cb -0.04 -0.07 -0.01 0.00 0.01 0.00 0.00 72.50 72.39 1jxh s THR 76 CO -0.02 0.01 -0.24 -0.75 -0.69 0.00 0.00 174.62 172.93 1jxh s LYS 77 N 0.09 2.32 -0.10 4.92 2.36 0.20 -0.31 119.74 129.23 1jxh s LYS 77 Ca -0.01 -0.86 0.04 0.00 -2.55 0.00 0.00 55.97 52.60 1jxh s LYS 77 Cb -0.01 -2.02 -0.00 0.00 -1.05 0.00 0.00 37.83 34.75 1jxh s LYS 77 CO -0.00 0.39 -0.24 0.42 1.55 0.00 0.00 175.35 177.47 1jxh s ILE 78 N -0.23 2.05 0.00 5.43 1.01 0.15 -1.22 121.20 128.39 1jxh s ILE 78 Ca -0.01 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.63 1jxh s ILE 78 Cb -0.12 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.58 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 3.50 1.76 3.66 6.18 0.00 0.45 -1.16 105.19 119.58 1jxh n GLY 79 Ca -0.19 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.32 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 1.66 -0.03 1.61 0.00 -1.26 -4.67 117.12 114.42 1jxh n MET 80 Ca 0.00 0.60 -0.01 0.00 -0.00 0.00 0.00 57.70 58.30 1jxh n MET 80 Cb 0.00 -2.34 -0.08 0.00 0.00 0.00 0.00 33.22 30.80 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 4.40 0.00 0.00 -0.89 4.77 -1.26 -4.17 117.00 119.85 1jxh n LEU 81 Ca 0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1jxh n LEU 81 Cb 0.23 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1jxh n LEU 81 CO 0.69 0.14 0.00 0.00 -1.33 0.00 0.00 177.39 176.90 1jxh n ALA 82 N -2.16 0.00 -2.41 -1.18 0.00 -1.26 -4.50 120.51 109.00 1jxh n ALA 82 Ca -0.10 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 -0.09 0.00 0.00 0.00 0.00 19.45 19.96 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 1.22 0.19 0.00 -1.05 -1.26 -4.69 118.70 113.11 1jxh s GLU 83 Ca 0.00 -1.50 -0.14 0.00 -0.15 0.00 0.00 54.97 53.18 1jxh s GLU 83 Cb 0.00 0.31 0.19 0.00 -0.44 0.00 0.00 34.13 34.19 1jxh s GLU 83 CO 0.00 -0.42 1.67 1.15 0.95 0.00 0.00 175.26 178.61 1jxh h THR 84 N 2.58 0.55 0.00 1.83 2.02 -1.88 -1.57 112.91 116.44 1jxh h THR 84 Ca -0.34 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 1jxh h THR 84 Cb 1.24 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1jxh h THR 84 CO 0.50 0.01 -0.16 0.44 0.37 0.00 0.00 175.52 176.68 1jxh h ASP 85 N 0.07 0.00 -0.03 4.18 3.32 -1.97 -0.56 116.42 121.43 1jxh h ASP 85 Ca 0.26 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 1jxh h ASP 85 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1jxh h ASP 85 CO -0.47 0.16 -0.09 0.40 -1.72 0.00 0.00 179.24 177.52 1jxh h ILE 86 N 0.00 1.47 -0.41 0.35 1.08 -1.58 -1.37 117.51 117.04 1jxh h ILE 86 Ca -0.00 -1.53 0.07 0.00 -0.39 0.00 0.00 64.86 63.01 1jxh h ILE 86 Cb 0.29 2.41 -0.06 0.00 -3.07 0.00 0.00 36.82 36.39 1jxh h ILE 86 CO 0.02 0.41 0.03 0.58 -0.69 0.00 0.00 178.15 178.51 1jxh h VAL 87 N -0.46 0.73 -0.17 1.67 2.07 -0.93 0.28 116.25 119.44 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 0.72 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1jxh h VAL 87 CO 0.02 0.03 0.11 -0.08 0.02 0.00 0.00 177.57 177.67 1jxh h GLU 88 N 0.15 0.23 -0.75 1.57 4.57 -1.13 -0.03 114.58 119.19 1jxh h GLU 88 Ca 0.20 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.40 1jxh h GLU 88 Cb 0.28 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.77 1jxh h GLU 88 CO -0.31 0.16 0.47 0.00 -1.18 0.00 0.00 179.01 178.15 1jxh h ALA 89 N 1.06 0.98 -0.02 2.92 0.00 -0.60 -0.22 119.26 123.38 1jxh h ALA 89 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jxh h ALA 89 Cb -0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1jxh h ALA 89 CO -0.01 0.25 -0.00 0.28 0.00 0.00 0.00 179.25 179.76 1jxh h VAL 90 N 0.91 1.29 -0.64 0.00 2.07 -0.69 -2.34 116.25 116.84 1jxh h VAL 90 Ca 0.30 -0.86 0.07 0.00 0.82 0.00 0.00 66.70 67.04 1jxh h VAL 90 Cb 0.04 1.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 1jxh h VAL 90 CO -0.12 0.23 0.32 0.00 0.02 0.00 0.00 177.57 178.02 1jxh h ALA 91 N 0.65 0.86 -0.53 1.67 0.00 -0.77 0.12 119.26 121.26 1jxh h ALA 91 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jxh h ALA 91 Cb 0.37 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1jxh h ALA 91 CO 0.00 -0.05 0.33 1.49 0.00 0.00 0.00 179.25 181.03 1jxh h GLU 92 N 0.58 0.71 -0.13 0.00 4.22 -1.00 -1.04 114.58 117.91 1jxh h GLU 92 Ca 0.30 -0.05 -0.16 0.00 0.08 0.00 0.00 59.36 59.53 1jxh h GLU 92 Cb 0.27 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1jxh h GLU 92 CO -0.23 0.49 -0.60 0.00 -2.18 0.00 0.00 179.01 176.50 1jxh h ARG 93 N 0.71 0.45 -0.64 1.92 2.47 -0.93 -1.27 114.38 117.09 1jxh h ARG 93 Ca 0.19 -0.30 -0.00 0.00 -1.26 0.00 0.00 59.98 58.61 1jxh h ARG 93 Cb -0.05 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 1jxh h ARG 93 CO -0.04 0.91 0.40 -0.07 0.56 0.00 0.00 179.97 181.73 1jxh h LEU 94 N 0.33 0.75 -0.09 3.04 4.07 -0.65 -1.65 115.31 121.11 1jxh h LEU 94 Ca -0.00 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 57.88 1jxh h LEU 94 Cb 1.14 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.68 1jxh h LEU 94 CO 0.11 0.58 -0.04 -0.61 -1.08 0.00 0.00 178.44 177.39 1jxh h GLN 95 N 0.86 0.18 -0.64 1.13 4.15 -1.08 -1.62 115.11 118.09 1jxh h GLN 95 Ca 0.23 -0.08 0.07 0.00 0.77 0.00 0.00 58.65 59.64 1jxh h GLN 95 Cb -0.05 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.58 1jxh h GLN 95 CO -0.05 0.54 0.33 -0.09 -1.93 0.00 0.00 178.83 177.63 1jxh h ARG 96 N -0.18 0.57 -0.57 1.69 2.43 -1.06 -2.60 114.38 114.66 1jxh h ARG 96 Ca 0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1jxh h ARG 96 Cb 0.48 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1jxh h ARG 96 CO 0.01 0.38 0.00 0.72 -1.51 0.00 0.00 179.97 179.57 1jxh n HIS 97 N -4.85 0.87 -4.02 2.20 8.25 -0.64 -4.95 115.22 112.08 1jxh n HIS 97 Ca 0.08 -0.40 -0.28 0.00 -0.26 0.00 0.00 57.72 56.87 1jxh n HIS 97 Cb 0.21 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 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 1.00 -1.57 -2.21 4.41 8.25 -0.87 -4.85 115.22 119.39 1jxh n HIS 98 Ca 0.19 0.67 -0.42 0.00 -0.26 0.00 0.00 57.72 57.89 1jxh n HIS 98 Cb 0.55 -3.48 -0.03 0.00 1.12 0.00 0.00 29.99 28.15 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 -4.01 3.52 0.49 1.59 1.01 -0.67 -5.02 120.40 117.32 1jxh s VAL 99 Ca 0.05 1.04 0.07 0.00 0.00 0.00 0.00 61.98 63.14 1jxh s VAL 99 Cb -0.02 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1jxh s VAL 99 CO 0.91 0.05 0.48 0.00 0.00 0.00 0.00 175.10 176.54 1jxh s ARG 100 N 1.60 2.40 -1.37 2.72 3.03 -1.26 -4.70 118.95 121.37 1jxh s ARG 100 Ca 0.64 -1.72 -0.01 0.00 2.03 0.00 0.00 55.73 56.67 1jxh s ARG 100 Cb -0.34 -2.34 -0.00 0.00 -1.03 0.00 0.00 34.95 31.23 1jxh s ARG 100 CO 0.29 -0.48 0.51 0.09 -1.13 0.00 0.00 175.30 174.58 1jxh n ASN 101 N -1.77 -0.72 -4.59 -2.89 3.02 -1.26 -4.26 115.26 102.78 1jxh n ASN 101 Ca 0.04 -0.95 -0.41 0.00 -0.03 0.00 0.00 54.58 53.23 1jxh n ASN 101 Cb 0.63 -3.35 -0.07 0.00 -0.61 0.00 0.00 39.78 36.38 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 -3.86 4.93 -0.28 2.41 1.01 -1.26 -2.15 120.40 121.19 1jxh s VAL 102 Ca 0.02 0.77 -0.10 0.00 0.00 0.00 0.00 61.98 62.67 1jxh s VAL 102 Cb -0.01 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1jxh s VAL 102 CO 0.87 -0.19 0.16 -0.69 0.00 0.00 0.00 175.10 175.25 1jxh s VAL 103 N 2.63 4.97 -0.33 2.92 1.01 0.58 -0.07 120.40 132.10 1jxh s VAL 103 Ca 0.25 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.10 1jxh s VAL 103 Cb -0.15 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 32.85 1jxh s VAL 103 CO 0.13 0.21 0.13 -0.22 0.00 0.00 0.00 175.10 175.35 1jxh s LEU 104 N 1.70 4.27 0.50 3.92 2.96 0.11 -0.67 118.68 131.47 1jxh s LEU 104 Ca 0.06 -0.89 -0.12 0.00 -0.22 0.00 0.00 54.13 52.96 1jxh s LEU 104 Cb -0.16 -1.93 -0.06 0.00 0.50 0.00 0.00 46.19 44.54 1jxh s LEU 104 CO 0.09 -0.29 0.90 -0.62 -1.32 0.00 0.00 176.35 175.11 1jxh s ASP 105 N 1.50 6.44 -0.89 3.68 2.15 -0.31 -1.64 116.67 127.60 1jxh s ASP 105 Ca 0.01 1.30 -0.04 0.00 0.43 0.00 0.00 52.55 54.26 1jxh s ASP 105 Cb -0.18 -2.40 0.22 0.00 -0.30 0.00 0.00 42.92 40.25 1jxh s ASP 105 CO 0.04 -0.60 0.79 0.42 -0.17 0.00 0.00 175.17 175.66 1jxh s THR 106 N -2.71 4.67 -0.82 1.71 -4.23 -1.26 -4.70 115.64 108.30 1jxh s THR 106 Ca 0.54 -3.56 -0.21 0.00 -1.18 0.00 0.00 61.69 57.27 1jxh s THR 106 Cb -0.10 -3.89 0.09 0.00 1.34 0.00 0.00 72.50 69.94 1jxh s THR 106 CO 0.39 -1.07 1.12 -0.69 -0.54 0.00 0.00 174.62 173.82 1jxh s VAL 107 N -1.05 4.39 0.00 2.29 1.01 -1.26 -4.67 120.40 121.11 1jxh s VAL 107 Ca 0.26 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1jxh s VAL 107 Cb -0.10 -4.79 0.00 0.00 0.00 0.00 0.00 36.38 31.49 1jxh s VAL 107 CO -0.10 -1.57 0.34 1.15 0.00 0.00 0.00 175.10 174.92 1jxh n MET 108 N 7.50 0.00 -0.22 2.72 0.00 -1.26 -4.66 117.12 121.21 1jxh n MET 108 Ca 0.13 -0.30 0.20 0.00 0.00 0.00 0.00 57.70 57.73 1jxh n MET 108 Cb 0.48 -0.26 0.36 0.00 0.00 0.00 0.00 33.22 33.80 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 0.17 -3.47 3.17 7.94 -1.26 -4.20 117.00 119.35 1jxh n LEU 109 Ca 0.00 0.89 -0.10 0.00 -1.11 0.00 0.00 56.01 55.68 1jxh n LEU 109 Cb 0.52 -0.43 -0.02 0.00 0.53 0.00 0.00 43.42 44.01 1jxh n LEU 109 CO 0.00 -0.98 0.55 -0.22 -1.11 0.00 0.00 177.39 175.63 1jxh s LEU 116 N -8.21 -0.47 0.02 -1.96 2.96 -1.26 -5.22 118.68 104.54 1jxh s LEU 116 Ca -0.05 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 1jxh s LEU 116 Cb 0.19 2.30 -0.02 0.00 0.50 0.00 0.00 46.19 49.17 1jxh s LEU 116 CO 0.45 -0.78 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.82 1jxh s LEU 117 N -2.53 2.10 0.78 -0.68 1.43 -1.26 -4.82 118.68 113.70 1jxh s LEU 117 Ca 0.02 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.66 1jxh s LEU 117 Cb -0.01 -0.58 0.07 0.00 0.03 0.00 0.00 46.19 45.70 1jxh s LEU 117 CO -0.10 0.07 1.13 -0.94 0.23 0.00 0.00 176.35 176.74 1jxh s SER 118 N -0.75 4.16 0.55 2.29 1.04 -1.26 -4.73 113.70 114.99 1jxh s SER 118 Ca 0.02 2.05 0.24 0.00 0.48 0.00 0.00 55.95 58.74 1jxh s SER 118 Cb -0.06 -2.55 1.45 0.00 0.10 0.00 0.00 66.02 64.96 1jxh s SER 118 CO 0.00 -2.27 2.08 -0.65 0.98 0.00 0.00 173.24 173.38 1jxh h PRO 119 N -0.94 0.00 -0.17 4.02 0.11 -2.00 -0.43 132.00 132.58 1jxh h PRO 119 Ca -0.45 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 1jxh h PRO 119 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 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 0.52 -0.22 -2.05 0.87 -1.99 -1.15 113.55 109.54 1jxh h SER 120 Ca 0.12 -0.52 -0.01 0.00 -1.23 0.00 0.00 61.79 60.15 1jxh h SER 120 Cb 0.54 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1jxh h SER 120 CO -0.00 0.93 0.08 0.00 -0.53 0.00 0.00 176.83 177.31 1jxh h ALA 121 N 0.60 0.28 -0.72 6.23 0.00 -1.48 -0.89 119.26 123.29 1jxh h ALA 121 Ca 0.02 -0.12 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 -0.11 0.47 0.82 0.00 0.00 0.00 179.25 180.49 1jxh h ILE 122 N 0.19 1.19 -0.51 0.00 2.04 -1.22 0.39 117.51 119.59 1jxh h ILE 122 Ca 0.07 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 65.60 1jxh h ILE 122 Cb 0.19 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 1jxh h ILE 122 CO -0.00 0.19 0.30 -0.08 0.00 0.00 0.00 178.15 178.55 1jxh h GLU 123 N 0.98 0.57 -0.44 2.37 4.81 -0.96 -1.30 114.58 120.61 1jxh h GLU 123 Ca 0.26 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.37 1jxh h GLU 123 Cb -0.10 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 1jxh h GLU 123 CO -0.06 0.38 -0.07 1.15 -0.73 0.00 0.00 179.01 179.68 1jxh h THR 124 N 0.59 1.25 0.02 0.32 2.02 -0.61 -2.60 112.91 113.90 1jxh h THR 124 Ca 0.21 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 1jxh h THR 124 Cb 0.04 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1jxh h THR 124 CO -0.10 0.38 -0.01 0.25 0.37 0.00 0.00 175.52 176.41 1jxh h LEU 125 N 0.70 -0.03 -1.14 2.58 6.46 -0.15 0.29 115.31 124.02 1jxh h LEU 125 Ca 0.13 -0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 57.72 1jxh h LEU 125 Cb 0.54 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 1jxh h LEU 125 CO 0.03 0.08 -0.10 0.08 -0.62 0.00 0.00 178.44 177.92 1jxh h ARG 126 N -0.14 0.49 0.13 1.25 0.11 -1.21 -0.59 114.38 114.42 1jxh h ARG 126 Ca -0.00 -0.13 -0.28 0.00 0.10 0.00 0.00 59.98 59.66 1jxh h ARG 126 Cb 0.13 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.15 1jxh h ARG 126 CO 0.01 0.59 -1.42 0.28 0.10 0.00 0.00 179.97 179.52 1jxh h VAL 127 N 0.46 1.05 0.03 0.08 2.07 -1.33 -3.37 116.25 115.25 1jxh h VAL 127 Ca 0.09 -2.43 -0.36 0.00 0.82 0.00 0.00 66.70 64.82 1jxh h VAL 127 Cb 0.45 2.76 -0.05 0.00 -1.52 0.00 0.00 31.29 32.93 1jxh h VAL 127 CO 0.02 0.73 -2.18 0.54 0.02 0.00 0.00 177.57 176.70 1jxh n ARG 128 N -3.88 0.69 -0.10 1.57 5.12 0.99 -4.67 116.66 116.37 1jxh n ARG 128 Ca -0.24 0.17 -0.23 0.00 -1.93 0.00 0.00 57.85 55.63 1jxh n ARG 128 Cb 0.92 -1.62 -0.12 0.00 -1.16 0.00 0.00 32.46 30.48 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 -3.16 1.95 -0.31 0.55 7.94 -0.42 -4.48 117.00 119.07 1jxh n LEU 129 Ca -0.34 0.39 0.16 0.00 -1.11 0.00 0.00 56.01 55.11 1jxh n LEU 129 Cb 1.06 -0.97 0.34 0.00 0.53 0.00 0.00 43.42 44.38 1jxh n LEU 129 CO 0.38 0.37 0.93 -0.07 -1.11 0.00 0.00 177.39 177.89 1jxh h LEU 130 N -0.89 -0.06 0.00 -1.96 4.07 -1.33 0.36 115.31 115.51 1jxh h LEU 130 Ca -0.40 0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.79 1jxh h LEU 130 Cb 1.41 0.32 0.00 0.00 1.08 0.00 0.00 40.66 43.47 1jxh h LEU 130 CO -0.21 -0.24 0.00 -2.65 -1.08 0.00 0.00 178.44 174.26 1jxh n PRO 131 N -5.29 0.23 0.00 1.13 -0.02 -1.26 -2.13 135.00 127.66 1jxh n PRO 131 Ca 0.24 0.04 0.03 0.00 -2.02 0.00 0.00 63.50 61.79 1jxh n PRO 131 Cb 0.79 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.75 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 3.85 -3.37 -0.52 6.02 0.13 -4.89 117.38 117.55 1jxh n GLN 132 Ca 0.06 -0.18 -0.38 0.00 -0.01 0.00 0.00 57.00 56.49 1jxh n GLN 132 Cb 0.03 -0.89 -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 4.92 0.02 5.09 -7.23 -0.91 -4.65 120.40 116.16 1jxh s VAL 133 Ca 0.04 1.03 -0.15 0.00 -1.81 0.00 0.00 61.98 61.08 1jxh s VAL 133 Cb 0.06 -3.81 -0.35 0.00 0.56 0.00 0.00 36.38 32.83 1jxh s VAL 133 CO 0.25 0.53 0.95 0.28 -0.31 0.00 0.00 175.10 176.81 1jxh h SER 134 N 4.91 0.82 -3.38 4.85 0.02 -0.82 -2.54 113.55 117.41 1jxh h SER 134 Ca -0.49 -0.92 -0.22 0.00 -0.84 0.00 0.00 61.79 59.31 1jxh h SER 134 Cb 1.21 -0.27 -0.31 0.00 0.14 0.00 0.00 62.40 63.18 1jxh h SER 134 CO 0.64 1.72 -0.54 -0.22 -1.14 0.00 0.00 176.83 177.29 1jxh s LEU 135 N -7.57 0.54 0.02 5.07 2.96 -0.59 -0.28 118.68 118.82 1jxh s LEU 135 Ca -0.10 0.41 0.03 0.00 -0.22 0.00 0.00 54.13 54.26 1jxh s LEU 135 Cb 0.04 0.55 -0.03 0.00 0.50 0.00 0.00 46.19 47.24 1jxh s LEU 135 CO 0.93 -0.16 -0.05 -0.51 -1.32 0.00 0.00 176.35 175.24 1jxh s ILE 136 N 1.25 3.76 -0.51 6.68 2.07 -0.98 0.06 121.20 133.53 1jxh s ILE 136 Ca -0.09 -0.79 0.07 0.00 -1.41 0.00 0.00 60.65 58.43 1jxh s ILE 136 Cb -0.11 -2.66 0.29 0.00 0.13 0.00 0.00 42.46 40.11 1jxh s ILE 136 CO -0.07 0.35 0.74 0.35 -1.91 0.00 0.00 174.94 174.39 1jxh n THR 137 N 1.39 1.31 -2.96 4.00 -2.24 -0.65 -1.04 114.28 114.10 1jxh n THR 137 Ca -0.15 -4.89 -0.25 0.00 -2.27 0.00 0.00 64.05 56.49 1jxh n THR 137 Cb 0.52 -1.56 -0.00 0.00 -2.10 0.00 0.00 70.33 67.19 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 -2.39 3.39 0.43 -0.78 0.04 -1.24 -4.28 135.00 130.18 1jxh s PRO 138 Ca 0.41 -0.13 0.03 0.00 0.04 0.00 0.00 61.00 61.34 1jxh s PRO 138 Cb 0.22 -2.51 0.08 0.00 0.04 0.00 0.00 34.50 32.34 1jxh s PRO 138 CO -0.08 -0.12 0.59 0.27 0.04 0.00 0.00 177.00 177.70 1jxh n ASN 139 N -2.08 1.10 0.07 6.66 0.23 -1.26 -0.80 115.26 119.18 1jxh n ASN 139 Ca -0.01 -1.86 -0.12 0.00 -0.53 0.00 0.00 54.58 52.07 1jxh n ASN 139 Cb 0.56 -0.36 -0.05 0.00 -2.08 0.00 0.00 39.78 37.85 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 -0.38 -0.91 -4.53 4.07 -1.89 -1.41 115.31 110.25 1jxh h LEU 140 Ca -0.20 0.05 0.08 0.00 0.08 0.00 0.00 57.88 57.89 1jxh h LEU 140 Cb 0.80 0.15 -0.07 0.00 1.08 0.00 0.00 40.66 42.63 1jxh h LEU 140 CO 0.24 -0.20 0.56 -0.65 -1.08 0.00 0.00 178.44 177.32 1jxh h PRO 141 N -0.25 0.95 -0.34 1.13 0.11 -1.95 -2.09 132.00 129.56 1jxh h PRO 141 Ca 0.03 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.93 1jxh h PRO 141 Cb 0.29 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 1jxh h PRO 141 CO -0.10 0.63 -0.41 0.93 -0.21 0.00 0.00 178.00 178.84 1jxh h GLU 142 N 0.98 0.86 -0.26 1.05 5.08 -1.90 -2.43 114.58 117.95 1jxh h GLU 142 Ca 0.41 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1jxh h GLU 142 Cb 0.27 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1jxh h GLU 142 CO -0.20 1.10 0.13 0.00 -1.00 0.00 0.00 179.01 179.04 1jxh h ALA 143 N 0.83 0.34 -0.68 3.43 0.00 -0.85 -0.04 119.26 122.28 1jxh h ALA 143 Ca 0.05 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jxh h ALA 143 Cb 0.99 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1jxh h ALA 143 CO 0.10 -0.11 0.44 0.00 0.00 0.00 0.00 179.25 179.68 1jxh h ALA 144 N 1.00 0.88 -0.71 0.00 0.00 -1.37 -1.06 119.26 118.00 1jxh h ALA 144 Ca 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1jxh h ALA 144 Cb 0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1jxh h ALA 144 CO -0.01 0.24 0.38 0.00 0.00 0.00 0.00 179.25 179.86 1jxh h ALA 145 N 1.27 0.91 -0.07 0.00 0.00 -1.02 0.73 119.26 121.09 1jxh h ALA 145 Ca 0.26 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1jxh h ALA 145 Cb -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1jxh h ALA 145 CO -0.08 0.44 -0.27 -0.07 0.00 0.00 0.00 179.25 179.27 1jxh h LEU 146 N 0.98 0.11 -0.77 0.00 3.38 -0.46 -2.50 115.31 116.06 1jxh h LEU 146 Ca 0.25 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1jxh h LEU 146 Cb 0.06 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1jxh h LEU 146 CO -0.04 0.39 -0.41 0.18 0.09 0.00 0.00 178.44 178.66 1jxh n LEU 147 N -4.18 1.60 -3.71 1.67 4.77 -0.45 -4.95 117.00 111.75 1jxh n LEU 147 Ca -0.02 -0.55 -0.23 0.00 -0.03 0.00 0.00 56.01 55.19 1jxh n LEU 147 Cb 0.35 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1jxh n LEU 147 CO 0.39 0.30 -0.00 -0.67 -1.33 0.00 0.00 177.39 176.07 1jxh n ASP 148 N -0.32 -2.15 -4.38 -1.43 4.64 0.23 -4.98 116.55 108.15 1jxh n ASP 148 Ca 0.10 -0.78 -0.19 0.00 -1.38 0.00 0.00 54.79 52.54 1jxh n ASP 148 Cb 0.42 -4.19 -0.10 0.00 -1.04 0.00 0.00 41.12 36.21 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 -3.56 2.06 0.60 -1.67 0.00 0.18 -5.02 121.76 114.35 1jxh s ALA 149 Ca 0.15 -1.87 -0.18 0.00 0.00 0.00 0.00 51.96 50.06 1jxh s ALA 149 Cb -0.07 0.48 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 1jxh s ALA 149 CO 0.80 -0.23 1.16 -2.14 0.00 0.00 0.00 175.76 175.35 1jxh s PRO 150 N -3.85 3.00 0.17 0.00 0.02 -1.26 -4.48 135.00 128.60 1jxh s PRO 150 Ca 0.31 1.65 -0.33 0.00 0.02 0.00 0.00 61.00 62.65 1jxh s PRO 150 Cb 0.06 -1.95 -0.13 0.00 0.02 0.00 0.00 34.50 32.50 1jxh s PRO 150 CO 0.11 -1.14 1.67 1.58 -0.33 0.00 0.00 177.00 178.90 1jxh n HIS 151 N -1.76 2.50 -1.68 6.54 -0.00 -1.26 -4.82 115.22 114.75 1jxh n HIS 151 Ca 0.12 0.13 -0.47 0.00 0.46 0.00 0.00 57.72 57.96 1jxh n HIS 151 Cb 0.51 -2.62 -0.04 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 3.98 1.11 0.08 1.57 0.00 -1.26 -4.89 120.51 121.09 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 -2.51 -0.15 0.00 0.00 0.00 0.00 19.45 17.11 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 8.98 0.40 -5.16 0.00 3.08 -1.94 -3.47 114.38 116.27 1jxh h ARG 153 Ca -0.48 -0.69 -0.61 0.00 0.07 0.00 0.00 59.98 58.27 1jxh h ARG 153 Cb 1.26 0.26 -0.13 0.00 0.08 0.00 0.00 29.97 31.44 1jxh h ARG 153 CO 0.94 1.32 -0.52 -0.08 -1.07 0.00 0.00 179.97 180.56 1jxh s THR 154 N -2.58 0.96 0.20 2.04 -1.32 -1.26 -5.05 115.64 108.63 1jxh s THR 154 Ca -0.15 -2.00 -0.10 0.00 -1.21 0.00 0.00 61.69 58.22 1jxh s THR 154 Cb 0.05 -2.32 0.12 0.00 -1.51 0.00 0.00 72.50 68.85 1jxh s THR 154 CO 0.86 0.00 1.80 -0.08 -2.21 0.00 0.00 174.62 174.99 1jxh h GLU 155 N 1.60 1.00 -0.35 7.08 4.81 -1.99 -1.81 114.58 124.92 1jxh h GLU 155 Ca -0.40 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1jxh h GLU 155 Cb 1.29 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1jxh h GLU 155 CO 0.67 0.77 0.23 1.96 -0.73 0.00 0.00 179.01 181.90 1jxh h GLN 156 N 0.97 0.46 -0.65 1.92 1.08 -1.99 0.12 115.11 117.03 1jxh h GLN 156 Ca 0.24 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.37 1jxh h GLN 156 Cb 0.08 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.38 1jxh h GLN 156 CO -0.03 0.31 0.24 0.93 -0.95 0.00 0.00 178.83 179.33 1jxh h GLU 157 N 0.47 0.96 -0.54 1.46 5.08 -1.93 0.13 114.58 120.22 1jxh h GLU 157 Ca 0.13 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1jxh h GLU 157 Cb -0.05 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1jxh h GLU 157 CO -0.03 0.80 0.12 1.98 -1.00 0.00 0.00 179.01 180.88 1jxh h MET 158 N 0.94 0.87 -0.38 2.33 4.05 -0.79 -1.52 114.93 120.43 1jxh h MET 158 Ca 0.22 -0.22 -0.10 0.00 -0.28 0.00 0.00 59.70 59.32 1jxh h MET 158 Cb 0.22 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.89 1jxh h MET 158 CO -0.02 0.83 -0.16 -0.07 0.23 0.00 0.00 176.91 177.72 1jxh h LEU 159 N 0.77 0.70 -0.59 3.39 3.38 -0.30 -2.04 115.31 120.62 1jxh h LEU 159 Ca 0.17 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1jxh h LEU 159 Cb 0.36 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1jxh h LEU 159 CO 0.00 0.88 0.28 0.00 0.09 0.00 0.00 178.44 179.69 1jxh h ALA 160 N 1.19 0.76 -0.65 1.53 0.00 -0.66 -1.84 119.26 119.59 1jxh h ALA 160 Ca 0.10 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1jxh h ALA 160 Cb 0.63 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1jxh h ALA 160 CO 0.04 0.33 0.10 1.96 0.00 0.00 0.00 179.25 181.68 1jxh h GLN 161 N 0.80 1.08 -0.37 0.00 4.20 -1.05 0.10 115.11 119.87 1jxh h GLN 161 Ca 0.20 -0.29 0.02 0.00 0.06 0.00 0.00 58.65 58.64 1jxh h GLN 161 Cb 0.12 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1jxh h GLN 161 CO -0.02 1.00 0.21 0.78 -0.67 0.00 0.00 178.83 180.12 1jxh h GLY 162 N 1.00 0.52 1.60 3.46 0.00 -1.07 -0.93 103.07 107.64 1jxh h GLY 162 Ca 0.20 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 1jxh h GLY 162 CO 0.01 0.13 -0.20 3.21 0.00 0.00 0.00 176.54 179.70 1jxh h ARG 163 N 0.43 0.48 -0.64 4.80 3.08 -1.10 -2.77 114.38 118.66 1jxh h ARG 163 Ca 0.15 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1jxh h ARG 163 Cb 0.02 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1jxh h ARG 163 CO -0.08 0.66 0.24 0.00 -1.07 0.00 0.00 179.97 179.71 1jxh h ALA 164 N 1.36 0.84 -0.05 0.04 0.00 -0.33 -2.22 119.26 118.89 1jxh h ALA 164 Ca 0.07 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1jxh h ALA 164 Cb 0.59 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1jxh h ALA 164 CO 0.04 0.47 -0.21 -0.07 0.00 0.00 0.00 179.25 179.48 1jxh h LEU 165 N 0.91 0.08 -0.08 0.00 3.38 -0.94 -2.04 115.31 116.62 1jxh h LEU 165 Ca 0.21 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1jxh h LEU 165 Cb 0.24 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1jxh h LEU 165 CO -0.01 0.30 -0.03 -0.07 0.09 0.00 0.00 178.44 178.72 1jxh h LEU 166 N 0.08 0.16 -2.09 1.67 3.38 -1.19 -2.71 115.31 114.61 1jxh h LEU 166 Ca 0.01 -0.39 0.09 0.00 0.09 0.00 0.00 57.88 57.68 1jxh h LEU 166 Cb 0.43 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1jxh h LEU 166 CO 0.03 0.51 0.26 0.00 0.09 0.00 0.00 178.44 179.33 1jxh h ALA 167 N 0.65 2.12 0.00 1.53 0.00 -0.99 0.16 119.26 122.73 1jxh h ALA 167 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jxh h ALA 167 Cb 0.45 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jxh h ALA 167 CO 0.01 -0.42 0.00 -1.33 0.00 0.00 0.00 179.25 177.51 1jxh n MET 168 N -4.11 0.25 0.00 0.00 2.81 -0.81 -4.86 117.12 110.40 1jxh n MET 168 Ca 0.04 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 1jxh n MET 168 Cb 0.42 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 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 0.47 1.54 3.74 3.03 0.00 0.55 -4.13 105.19 110.39 1jxh n GLY 169 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 5.45 0.14 -3.07 0.00 4.81 -1.40 -3.40 114.58 117.09 1jxh h GLU 171 Ca -0.45 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 58.64 1jxh h GLU 171 Cb 1.21 0.01 -0.15 0.00 0.63 0.00 0.00 28.75 30.46 1jxh h GLU 171 CO 0.82 0.64 -0.01 0.00 -0.73 0.00 0.00 179.01 179.74 1jxh s ALA 172 N -3.84 -1.15 -0.02 2.92 0.00 0.61 -4.48 121.76 115.81 1jxh s ALA 172 Ca -0.03 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.23 1jxh s ALA 172 Cb 0.13 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.80 1jxh s ALA 172 CO 0.77 -0.57 -0.04 0.08 0.00 0.00 0.00 175.76 176.00 1jxh s VAL 173 N -3.09 0.40 -0.53 0.00 1.01 -0.59 -2.32 120.40 115.28 1jxh s VAL 173 Ca -0.02 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1jxh s VAL 173 Cb 0.00 -0.38 0.13 0.00 0.00 0.00 0.00 36.38 36.14 1jxh s VAL 173 CO -0.07 0.14 0.28 -0.22 0.00 0.00 0.00 175.10 175.23 1jxh s LEU 174 N 0.27 4.57 -0.23 3.92 2.96 -0.21 0.71 118.68 130.68 1jxh s LEU 174 Ca -0.03 -2.89 -0.29 0.00 -0.22 0.00 0.00 54.13 50.70 1jxh s LEU 174 Cb -0.07 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 1jxh s LEU 174 CO -0.00 -0.28 1.38 -0.04 -1.32 0.00 0.00 176.35 176.09 1jxh s MET 175 N -0.12 4.00 -0.28 1.98 -1.94 -0.13 -3.64 119.30 119.17 1jxh s MET 175 Ca 0.16 1.52 -0.20 0.00 -1.71 0.00 0.00 55.69 55.46 1jxh s MET 175 Cb -0.24 -3.89 -0.01 0.00 2.01 0.00 0.00 34.83 32.70 1jxh s MET 175 CO -0.02 -1.02 0.63 0.15 -0.01 0.00 0.00 175.02 174.75 1jxh s LYS 176 N 4.08 4.00 -0.02 2.03 1.02 0.01 -1.75 119.74 129.12 1jxh s LYS 176 Ca 0.60 0.42 -0.02 0.00 0.02 0.00 0.00 55.97 56.99 1jxh s LYS 176 Cb -0.21 -3.69 -0.01 0.00 -0.52 0.00 0.00 37.83 33.40 1jxh s LYS 176 CO 0.22 -0.49 0.21 0.78 -0.92 0.00 0.00 175.35 175.15 1jxh h GLY 177 N 9.04 -0.07 -5.58 -3.33 0.00 -1.94 -3.16 103.07 98.03 1jxh h GLY 177 Ca -0.27 0.03 -0.26 0.00 0.00 0.00 0.00 47.33 46.83 1jxh h GLY 177 CO 0.79 -0.03 -0.73 0.99 0.00 0.00 0.00 176.54 177.56 1jxh s ASP 187 N -3.48 0.16 -0.09 0.19 -0.00 -1.26 -4.89 116.67 107.30 1jxh s ASP 187 Ca -0.01 -0.02 0.03 0.00 -0.00 0.00 0.00 52.55 52.55 1jxh s ASP 187 Cb 0.00 -0.03 0.01 0.00 -0.00 0.00 0.00 42.92 42.90 1jxh s ASP 187 CO 0.03 0.01 -0.19 0.26 -0.00 0.00 0.00 175.17 175.28 1jxh s TRP 188 N 0.06 2.08 -0.22 4.23 0.52 -0.71 0.07 118.94 124.95 1jxh s TRP 188 Ca -0.00 -0.84 -0.10 0.00 0.02 0.00 0.00 56.10 55.18 1jxh s TRP 188 Cb -0.02 -1.43 -0.05 0.00 -1.15 0.00 0.00 33.47 30.82 1jxh s TRP 188 CO -0.00 -0.37 0.14 -1.17 0.02 0.00 0.00 176.95 175.57 1jxh s LEU 189 N 0.52 4.11 -0.11 2.99 2.96 0.43 -0.95 118.68 128.62 1jxh s LEU 189 Ca -0.16 0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.87 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 0.10 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.78 1jxh s PHE 190 N 0.82 2.99 0.21 5.38 0.08 0.22 -1.56 117.98 126.10 1jxh s PHE 190 Ca 0.07 -0.12 -0.07 0.00 0.12 0.00 0.00 56.93 56.93 1jxh s PHE 190 Cb -0.13 -1.82 -0.02 0.00 -0.57 0.00 0.00 43.02 40.48 1jxh s PHE 190 CO 0.02 0.17 0.30 0.99 -0.10 0.00 0.00 175.22 176.60 1jxh s THR 191 N -0.30 0.02 0.44 0.64 2.01 -0.67 -1.54 115.64 116.23 1jxh s THR 191 Ca 0.05 -1.62 0.12 0.00 0.31 0.00 0.00 61.69 60.55 1jxh s THR 191 Cb -0.13 -2.20 0.31 0.00 0.01 0.00 0.00 72.50 70.49 1jxh s THR 191 CO 0.02 -0.10 2.01 0.03 -0.69 0.00 0.00 174.62 175.90 1jxh h ARG 192 N 2.47 0.40 0.13 4.92 3.08 -1.97 -2.53 114.38 120.89 1jxh h ARG 192 Ca -0.31 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 1jxh h ARG 192 Cb 1.24 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1jxh h ARG 192 CO 0.45 0.27 -0.06 0.93 -1.07 0.00 0.00 179.97 180.49 1jxh h GLU 193 N 0.41 -0.17 0.00 0.04 4.39 -1.97 -3.49 114.58 113.80 1jxh h GLU 193 Ca 0.22 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1jxh h GLU 193 Cb 0.34 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1jxh h GLU 193 CO -0.06 -0.06 0.00 0.41 -1.16 0.00 0.00 179.01 178.14 1jxh n GLY 194 N -1.00 -0.64 3.57 -3.84 0.00 -0.96 -5.16 105.19 97.18 1jxh n GLY 194 Ca -0.08 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.05 2.05 -0.12 1.61 8.01 -1.26 -1.68 118.70 126.25 1jxh s GLU 195 Ca 0.00 -1.56 -0.06 0.00 0.01 0.00 0.00 54.97 53.36 1jxh s GLU 195 Cb 0.00 -2.00 0.05 0.00 -4.31 0.00 0.00 34.13 27.87 1jxh s GLU 195 CO 0.00 0.35 0.29 -1.14 0.01 0.00 0.00 175.26 174.77 1jxh s GLN 196 N -3.61 0.24 0.18 1.61 0.74 -0.60 -4.96 119.66 113.26 1jxh s GLN 196 Ca 0.31 0.62 -0.11 0.00 0.05 0.00 0.00 55.36 56.22 1jxh s GLN 196 Cb -0.06 -0.08 -0.07 0.00 1.10 0.00 0.00 33.01 33.90 1jxh s GLN 196 CO 0.18 -0.18 0.53 0.50 -0.55 0.00 0.00 175.29 175.78 1jxh s ARG 197 N 1.45 3.87 0.26 1.67 3.52 -1.26 -0.43 118.95 128.03 1jxh s ARG 197 Ca -0.08 0.35 0.02 0.00 -0.13 0.00 0.00 55.73 55.89 1jxh s ARG 197 Cb -0.10 -2.80 -0.04 0.00 -1.56 0.00 0.00 34.95 30.45 1jxh s ARG 197 CO -0.10 0.41 0.14 -0.06 -0.81 0.00 0.00 175.30 174.88 1jxh s PHE 198 N -1.63 1.46 0.32 5.12 0.08 0.11 -4.97 117.98 118.47 1jxh s PHE 198 Ca 0.42 -1.35 -0.05 0.00 0.12 0.00 0.00 56.93 56.08 1jxh s PHE 198 Cb -0.13 -0.77 0.02 0.00 -0.57 0.00 0.00 43.02 41.57 1jxh s PHE 198 CO 0.20 -0.53 0.50 0.54 -0.10 0.00 0.00 175.22 175.83 1jxh n ARG 202 N -0.46 0.73 -1.87 0.44 5.12 -1.26 -4.67 116.66 114.69 1jxh n ARG 202 Ca 0.02 -2.32 -0.42 0.00 -1.93 0.00 0.00 57.85 53.19 1jxh n ARG 202 Cb 0.65 2.39 -0.03 0.00 -1.16 0.00 0.00 32.46 34.31 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 -2.62 3.34 -0.25 1.55 1.01 -1.26 -4.88 120.40 117.29 1jxh s VAL 203 Ca 0.22 0.40 0.13 0.00 0.00 0.00 0.00 61.98 62.74 1jxh s VAL 203 Cb -0.02 -3.32 0.47 0.00 0.00 0.00 0.00 36.38 33.52 1jxh s VAL 203 CO 0.16 -0.10 1.17 -0.46 0.00 0.00 0.00 175.10 175.87 1jxh n ASN 204 N 8.39 3.33 -3.88 3.32 6.94 -1.26 -5.04 115.26 127.07 1jxh n ASN 204 Ca 0.21 -3.14 -0.10 0.00 -0.02 0.00 0.00 54.58 51.53 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 -3.93 0.12 -0.42 5.53 -1.32 -1.26 -5.05 115.64 109.32 1jxh s THR 205 Ca 0.41 -1.01 0.22 0.00 -1.21 0.00 0.00 61.69 60.10 1jxh s THR 205 Cb 0.38 -0.97 -0.21 0.00 -1.51 0.00 0.00 72.50 70.18 1jxh s THR 205 CO -0.01 -0.56 0.80 0.29 -2.21 0.00 0.00 174.62 172.93 1jxh n LYS 206 N 0.60 0.41 -2.72 7.08 5.02 -1.26 -4.68 118.16 122.61 1jxh n LYS 206 Ca -0.18 -0.06 -0.43 0.00 -2.02 0.00 0.00 58.31 55.61 1jxh n LYS 206 Cb 0.59 -1.57 -0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1jxh n LYS 206 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1jxh s ASN 207 N -4.14 6.90 -0.06 4.39 0.02 -1.26 -4.65 114.94 116.14 1jxh s ASN 207 Ca -0.00 -2.59 0.11 0.00 -1.02 0.00 0.00 52.86 49.36 1jxh s ASN 207 Cb 0.14 -2.51 0.31 0.00 0.02 0.00 0.00 41.25 39.21 1jxh s ASN 207 CO 0.85 -1.03 1.24 0.35 0.02 0.00 0.00 177.10 178.53 1jxh n THR 208 N 5.77 1.45 -1.69 1.60 -2.24 -1.09 -4.14 114.28 113.94 1jxh n THR 208 Ca 0.43 -1.38 -0.44 0.00 -2.27 0.00 0.00 64.05 60.40 1jxh n THR 208 Cb 0.45 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 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 -0.16 2.51 -0.84 4.78 -0.00 -0.23 -2.03 115.22 119.25 1jxh n HIS 209 Ca 0.13 0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.86 1jxh n HIS 209 Cb 0.54 -2.66 0.00 0.00 -0.00 0.00 0.00 29.99 27.87 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 3.99 0.58 0.12 1.57 0.00 -1.26 -3.65 105.19 106.54 1jxh n GLY 210 Ca 0.18 -0.01 -0.11 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 0.79 -0.39 2.61 2.02 -1.72 -0.69 112.91 115.54 1jxh h THR 211 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1jxh h THR 211 Cb 0.00 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 1jxh h THR 211 CO 0.00 0.00 0.09 1.23 0.37 0.00 0.00 175.52 177.21 1jxh h GLY 212 N -0.11 0.46 0.99 2.16 0.00 -1.93 0.79 103.07 105.44 1jxh h GLY 212 Ca 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1jxh h GLY 212 CO -0.11 -0.02 0.27 0.00 0.00 0.00 0.00 176.54 176.69 1jxh h THR 214 N 0.60 1.19 -0.46 0.00 2.02 -0.52 -1.16 112.91 114.57 1jxh h THR 214 Ca 0.16 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 1jxh h THR 214 Cb -0.01 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1jxh h THR 214 CO -0.03 0.21 0.27 0.25 0.37 0.00 0.00 175.52 176.59 1jxh h LEU 215 N 0.52 0.57 -0.94 2.58 5.85 -0.79 0.44 115.31 123.54 1jxh h LEU 215 Ca 0.14 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 1jxh h LEU 215 Cb 0.17 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1jxh h LEU 215 CO -0.01 0.47 -0.34 0.77 -0.34 0.00 0.00 178.44 178.99 1jxh h SER 216 N 0.61 0.37 -0.42 1.25 4.64 -1.39 -0.35 113.55 118.25 1jxh h SER 216 Ca 0.16 -0.14 -0.12 0.00 -0.47 0.00 0.00 61.79 61.22 1jxh h SER 216 Cb 0.02 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1jxh h SER 216 CO -0.03 0.68 -0.21 0.00 -0.87 0.00 0.00 176.83 176.40 1jxh h ALA 217 N 1.34 0.60 -0.39 5.18 0.00 -0.85 -2.23 119.26 122.91 1jxh h ALA 217 Ca 0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1jxh h ALA 217 Cb 0.74 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1jxh h ALA 217 CO 0.06 0.57 0.18 0.00 0.00 0.00 0.00 179.25 180.06 1jxh h ALA 218 N 0.83 0.50 -0.97 0.00 0.00 -0.55 -0.69 119.26 118.39 1jxh h ALA 218 Ca 0.09 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1jxh h ALA 218 Cb 0.78 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1jxh h ALA 218 CO 0.06 0.07 0.64 -0.07 0.00 0.00 0.00 179.25 179.95 1jxh h LEU 219 N 0.49 1.08 -0.07 0.00 3.38 -0.99 -0.66 115.31 118.54 1jxh h LEU 219 Ca 0.13 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1jxh h LEU 219 Cb 0.13 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1jxh h LEU 219 CO -0.02 0.76 -0.02 0.00 0.09 0.00 0.00 178.44 179.26 1jxh h ALA 220 N 1.42 0.09 -0.44 1.53 0.00 -0.97 -1.71 119.26 119.19 1jxh h ALA 220 Ca 0.37 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1jxh h ALA 220 Cb -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1jxh h ALA 220 CO -0.10 -0.19 0.07 0.00 0.00 0.00 0.00 179.25 179.03 1jxh h ALA 221 N 0.67 1.29 0.00 0.00 0.00 -0.85 -3.14 119.26 117.23 1jxh h ALA 221 Ca 0.02 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1jxh h ALA 221 Cb 0.41 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1jxh h ALA 221 CO 0.01 0.49 -0.92 -0.07 0.00 0.00 0.00 179.25 178.76 1jxh h LEU 222 N 0.65 0.00 -0.68 0.00 4.07 -1.14 -3.39 115.31 114.82 1jxh h LEU 222 Ca 0.14 0.00 0.13 0.00 0.08 0.00 0.00 57.88 58.24 1jxh h LEU 222 Cb 0.31 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 41.92 1jxh h LEU 222 CO 0.00 0.45 -0.20 -0.09 -1.08 0.00 0.00 178.44 177.53 1jxh h ARG 223 N 0.00 -0.03 0.00 1.13 9.65 -1.25 0.03 114.38 123.91 1jxh h ARG 223 Ca -0.07 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1jxh h ARG 223 Cb 1.41 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.99 1jxh h ARG 223 CO 0.05 -0.02 0.00 -1.35 2.80 0.00 0.00 179.97 181.45 1jxh h PRO 224 N -0.03 0.00 -0.23 0.20 0.11 -1.77 -1.89 132.00 128.40 1jxh h PRO 224 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1jxh h PRO 224 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1jxh h PRO 224 CO -0.71 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.62 1jxh n ARG 225 N -2.51 2.14 -4.46 1.05 1.74 -0.01 -4.96 116.66 109.66 1jxh n ARG 225 Ca -0.01 -1.71 -0.22 0.00 -0.77 0.00 0.00 57.85 55.14 1jxh n ARG 225 Cb 0.09 -1.46 -0.11 0.00 -1.02 0.00 0.00 32.46 29.96 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 -1.71 2.02 0.02 -1.55 3.76 -0.71 -5.06 115.29 112.06 1jxh s HIS 226 Ca 0.35 -0.81 -0.17 0.00 -0.15 0.00 0.00 55.06 54.28 1jxh s HIS 226 Cb 0.20 -1.27 -0.35 0.00 1.11 0.00 0.00 32.58 32.28 1jxh s HIS 226 CO 0.30 0.18 1.00 0.00 -0.85 0.00 0.00 174.74 175.37 1jxh h ARG 227 N 2.15 0.53 -4.59 1.40 3.08 -1.93 -3.49 114.38 111.53 1jxh h ARG 227 Ca -0.41 -0.87 -0.31 0.00 0.07 0.00 0.00 59.98 58.46 1jxh h ARG 227 Cb 1.24 0.32 -0.13 0.00 0.08 0.00 0.00 29.97 31.48 1jxh h ARG 227 CO 0.70 1.42 -0.50 -1.54 -1.07 0.00 0.00 179.97 178.97 1jxh s SER 228 N -7.50 0.71 0.32 7.04 1.04 -1.26 -5.04 113.70 109.01 1jxh s SER 228 Ca -0.10 -1.49 0.09 0.00 0.48 0.00 0.00 55.95 54.94 1jxh s SER 228 Cb 0.04 0.48 0.55 0.00 0.10 0.00 0.00 66.02 67.19 1jxh s SER 228 CO 0.93 -0.98 1.74 -0.50 0.98 0.00 0.00 173.24 175.42 1jxh h TRP 229 N 2.39 0.14 -0.27 5.02 4.06 -1.95 -2.62 115.95 122.72 1jxh h TRP 229 Ca -0.31 -0.04 0.02 0.00 2.06 0.00 0.00 58.89 60.62 1jxh h TRP 229 Cb 1.24 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 29.35 1jxh h TRP 229 CO 0.91 0.52 0.14 0.78 -3.56 0.00 0.00 178.44 177.22 1jxh h GLY 230 N 1.24 0.36 0.81 1.49 0.00 -1.98 0.42 103.07 105.40 1jxh h GLY 230 Ca 0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1jxh h GLY 230 CO 0.06 0.08 -0.00 0.83 0.00 0.00 0.00 176.54 177.51 1jxh h GLU 231 N 0.29 0.33 -0.35 4.80 5.08 -1.95 -1.51 114.58 121.27 1jxh h GLU 231 Ca 0.11 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1jxh h GLU 231 Cb 0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1jxh h GLU 231 CO -0.07 0.54 -0.04 0.00 -1.00 0.00 0.00 179.01 178.44 1jxh h THR 232 N 0.09 1.22 -0.43 1.13 1.03 -1.27 -0.88 112.91 113.79 1jxh h THR 232 Ca 0.05 -0.90 -0.09 0.00 -0.01 0.00 0.00 66.41 65.46 1jxh h THR 232 Cb 0.39 1.00 -0.02 0.00 -1.07 0.00 0.00 68.15 68.45 1jxh h THR 232 CO 0.01 0.31 -0.10 0.58 -0.01 0.00 0.00 175.52 176.31 1jxh h VAL 233 N 0.53 1.25 -0.26 0.00 2.07 -0.06 0.09 116.25 119.87 1jxh h VAL 233 Ca 0.11 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 1jxh h VAL 233 Cb 0.41 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1jxh h VAL 233 CO 0.02 0.39 -0.04 -1.13 0.02 0.00 0.00 177.57 176.83 1jxh h ASN 234 N 0.69 0.49 -0.37 0.57 -0.73 -0.52 -2.06 115.58 113.65 1jxh h ASN 234 Ca 0.12 -0.34 -0.16 0.00 1.87 0.00 0.00 56.30 57.78 1jxh h ASN 234 Cb 0.57 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.02 1jxh h ASN 234 CO 0.03 0.72 -0.40 -0.08 -0.37 0.00 0.00 177.43 177.34 1jxh h GLU 235 N 0.25 0.93 -0.70 6.67 4.81 -1.06 -2.68 114.58 122.81 1jxh h GLU 235 Ca 0.07 -0.50 0.03 0.00 -0.13 0.00 0.00 59.36 58.83 1jxh h GLU 235 Cb 0.49 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 1jxh h GLU 235 CO 0.02 1.15 0.44 0.00 -0.73 0.00 0.00 179.01 179.90 1jxh h ALA 236 N 0.76 0.91 -0.41 2.92 0.00 -0.94 -1.09 119.26 121.40 1jxh h ALA 236 Ca 0.06 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1jxh h ALA 236 Cb 1.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1jxh h ALA 236 CO 0.10 0.23 -0.30 0.87 0.00 0.00 0.00 179.25 180.15 1jxh h LYS 237 N 0.87 0.90 -0.31 0.00 1.57 -1.36 -1.32 116.57 116.92 1jxh h LYS 237 Ca 0.28 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1jxh h LYS 237 Cb -0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1jxh h LYS 237 CO -0.10 1.07 0.20 0.00 -0.57 0.00 0.00 179.45 180.05 1jxh h ALA 238 N 0.89 0.39 -0.42 3.86 0.00 -1.10 -0.54 119.26 122.35 1jxh h ALA 238 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jxh h ALA 238 Cb 0.86 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1jxh h ALA 238 CO 0.08 -0.13 0.24 2.35 0.00 0.00 0.00 179.25 181.79 1jxh h TRP 239 N 0.41 0.56 -0.49 0.00 7.01 -1.12 -2.50 115.95 119.82 1jxh h TRP 239 Ca 0.11 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.11 1jxh h TRP 239 Cb -0.02 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 26.83 1jxh h TRP 239 CO -0.05 0.41 0.30 1.25 -2.79 0.00 0.00 178.44 177.56 1jxh h LEU 240 N 0.54 0.58 -0.98 0.65 7.12 -0.91 -1.40 115.31 120.93 1jxh h LEU 240 Ca 0.15 -0.05 0.08 0.00 0.13 0.00 0.00 57.88 58.19 1jxh h LEU 240 Cb 0.02 -0.15 -0.07 0.00 -0.53 0.00 0.00 40.66 39.93 1jxh h LEU 240 CO -0.03 0.46 0.62 0.28 -0.13 0.00 0.00 178.44 179.64 1jxh h SER 241 N 0.65 0.98 -0.17 1.25 0.02 -0.92 0.45 113.55 115.80 1jxh h SER 241 Ca 0.18 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.08 1jxh h SER 241 Cb -0.02 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1jxh h SER 241 CO -0.03 0.60 -0.10 0.00 -1.14 0.00 0.00 176.83 176.16 1jxh h ALA 242 N 1.46 1.24 -0.38 3.77 0.00 -0.93 0.27 119.26 124.70 1jxh h ALA 242 Ca 0.44 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1jxh h ALA 242 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1jxh h ALA 242 CO -0.19 0.49 -0.40 0.00 0.00 0.00 0.00 179.25 179.15 1jxh h ALA 243 N 1.41 0.56 -0.20 0.00 0.00 -0.07 -2.98 119.26 117.98 1jxh h ALA 243 Ca 0.09 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1jxh h ALA 243 Cb 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1jxh h ALA 243 CO 0.03 0.68 -0.41 -0.07 0.00 0.00 0.00 179.25 179.47 1jxh h LEU 244 N 0.76 0.51 0.00 0.00 3.38 -0.67 -1.75 115.31 117.54 1jxh h LEU 244 Ca 0.06 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1jxh h LEU 244 Cb 1.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1jxh h LEU 244 CO 0.10 0.86 0.00 0.00 0.09 0.00 0.00 178.44 179.49 1jxh n ALA 245 N -2.50 1.62 0.12 1.53 0.00 0.06 -1.94 120.51 119.40 1jxh n ALA 245 Ca -0.02 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.39 1jxh n ALA 245 Cb 0.51 -1.20 0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.42 0.57 -0.33 0.00 1.13 -1.05 -4.72 117.38 111.57 1jxh n GLN 246 Ca 0.04 -0.55 0.16 0.00 -1.94 0.00 0.00 57.00 54.71 1jxh n GLN 246 Cb 0.12 -0.98 0.39 0.00 0.11 0.00 0.00 30.24 29.89 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 0.52 1.87 0.00 -1.58 0.00 -0.98 -0.75 119.26 118.34 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 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jxh h ALA 247 CO 0.00 -0.25 0.00 -0.44 0.00 0.00 0.00 179.25 178.56 1jxh h ASP 248 N 0.62 0.00 0.64 0.00 3.32 -1.85 -2.84 116.42 116.30 1jxh h ASP 248 Ca 0.58 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.63 1jxh h ASP 248 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 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 -2.82 0.13 -2.65 0.35 -2.24 -0.29 -4.81 114.28 101.95 1jxh n THR 249 Ca 0.01 0.03 -0.27 0.00 -2.27 0.00 0.00 64.05 61.56 1jxh n THR 249 Cb 0.29 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 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 -2.70 3.58 -0.52 3.22 1.43 -1.08 -5.04 118.68 117.58 1jxh s LEU 250 Ca 0.22 0.84 0.07 0.00 -1.03 0.00 0.00 54.13 54.22 1jxh s LEU 250 Cb 0.18 -3.76 0.35 0.00 0.03 0.00 0.00 46.19 42.99 1jxh s LEU 250 CO 0.44 -0.65 0.92 -0.62 0.23 0.00 0.00 176.35 176.66 1jxh n GLU 251 N -2.28 2.73 -4.51 1.70 1.02 -1.26 -5.05 120.64 112.99 1jxh n GLU 251 Ca 0.01 -4.48 -0.27 0.00 -0.02 0.00 0.00 57.16 52.40 1jxh n GLU 251 Cb 0.56 -2.10 -0.17 0.00 -0.02 0.00 0.00 31.44 29.71 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 -4.12 1.34 0.00 2.62 0.11 -1.26 -5.08 120.40 114.01 1jxh s VAL 252 Ca 0.46 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.95 1jxh s VAL 252 Cb 0.31 -1.23 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 1jxh s VAL 252 CO -0.13 0.41 0.00 0.61 -3.33 0.00 0.00 175.10 172.66 1jxh n GLY 253 N 4.07 -1.33 0.16 6.54 0.00 -1.26 -4.53 105.19 108.83 1jxh n GLY 253 Ca -0.20 -1.59 0.04 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.33 2.39 0.00 1.61 5.02 -1.26 -4.96 118.16 119.63 1jxh n LYS 254 Ca 0.00 -0.49 0.00 0.00 -2.02 0.00 0.00 58.31 55.80 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 0.80 0.99 3.51 0.72 0.00 -1.26 -5.00 105.19 104.95 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 3.63 4.92 0.97 -0.61 1.01 0.48 -4.96 121.20 126.64 1jxh s ILE 256 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.50 1jxh s ILE 256 Cb 0.00 -4.14 0.17 0.00 0.01 0.00 0.00 42.46 38.51 1jxh s ILE 256 CO 0.00 -0.52 1.09 -0.83 0.00 0.00 0.00 174.94 174.68 1jxh s GLY 257 N 1.92 1.59 0.54 6.18 0.00 -1.26 -4.41 107.32 111.88 1jxh s GLY 257 Ca 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 44.72 44.73 1jxh s GLY 257 CO 0.17 0.40 0.78 2.56 0.00 0.00 0.00 173.10 177.00 1jxh s PRO 258 N -4.88 2.74 0.99 2.90 0.04 -1.26 -1.06 135.00 134.47 1jxh s PRO 258 Ca 0.65 -0.53 -0.14 0.00 0.04 0.00 0.00 61.00 61.02 1jxh s PRO 258 Cb -0.19 -2.45 0.18 0.00 0.04 0.00 0.00 34.50 32.08 1jxh s PRO 258 CO 0.58 -0.61 1.16 0.14 0.04 0.00 0.00 177.00 178.31 1jxh s VAL 259 N -2.77 1.92 -0.67 -0.36 -7.23 -1.24 -4.71 120.40 105.34 1jxh s VAL 259 Ca 0.54 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.60 1jxh s VAL 259 Cb -0.10 -2.72 0.17 0.00 0.56 0.00 0.00 36.38 34.29 1jxh s VAL 259 CO 0.40 0.00 0.57 -2.28 -0.31 0.00 0.00 175.10 173.48 1jxh s HIS 260 N -3.30 3.54 0.53 2.82 2.46 -0.69 -4.89 115.29 115.75 1jxh s HIS 260 Ca 0.67 -2.02 0.24 0.00 0.47 0.00 0.00 55.06 54.42 1jxh s HIS 260 Cb -0.12 -3.62 1.39 0.00 -0.13 0.00 0.00 32.58 30.10 1jxh s HIS 260 CO 0.54 -0.96 2.02 0.45 -2.47 0.00 0.00 174.74 174.31 1jxh h HIS 261 N 7.93 0.00 -0.62 3.88 3.86 -1.94 -2.47 115.15 125.79 1jxh h HIS 261 Ca -0.05 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.85 1jxh h HIS 261 Cb 1.04 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 29.32 1jxh h HIS 261 CO 0.84 0.00 0.22 1.19 0.86 0.00 0.00 177.93 181.03 1jxh n PHE 262 N -4.38 1.91 -0.05 2.45 3.72 -1.26 -4.66 117.46 115.19 1jxh n PHE 262 Ca 0.08 -1.67 0.24 0.00 -0.05 0.00 0.00 57.45 56.04 1jxh n PHE 262 Cb 0.54 -0.67 0.72 0.00 -0.94 0.00 0.00 39.48 39.12 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 1.09 0.00 0.00 1.38 2.07 -1.80 0.24 115.15 118.13 1jxh h HIS 263 Ca 0.38 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.90 1jxh h HIS 263 Cb 2.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.13 1jxh h HIS 263 CO 1.26 0.00 -0.19 0.00 -3.07 0.00 0.00 177.93 175.93 1jxh n ALA 264 N -2.59 2.65 -0.04 6.11 0.00 -1.26 -4.31 120.51 121.07 1jxh n ALA 264 Ca 0.13 -0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 1jxh n ALA 264 Cb 0.76 -1.36 -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 -1.75 0.00 -1.87 0.00 8.01 0.76 -5.27 117.44 117.31 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 0.37 -0.35 0.00 0.00 -2.01 0.00 0.00 31.31 29.32 1jxh n TRP 265 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.69 174.01