#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxm h PRO 2 N 0.00 0.00 -0.73 -0.72 0.11 -1.91 -1.37 132.00 127.38 2jxm h PRO 2 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 2jxm h PRO 2 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 2jxm h PRO 2 CO 0.00 0.11 0.38 0.74 -0.21 0.00 0.00 178.00 179.02 2jxm h PHE 3 N 0.00 1.02 -0.46 0.65 0.04 -2.00 -1.61 116.94 114.59 2jxm h PHE 3 Ca -0.00 -0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.67 2jxm h PHE 3 Cb 0.21 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 2jxm h PHE 3 CO 0.00 0.73 0.01 1.88 -0.60 0.00 0.00 178.31 180.33 2jxm h TYR 4 N 1.01 0.79 -0.61 -0.55 0.05 -1.70 -1.57 116.97 114.38 2jxm h TYR 4 Ca 0.25 -0.10 -0.04 0.00 0.05 0.00 0.00 58.73 58.90 2jxm h TYR 4 Cb 0.06 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 2jxm h TYR 4 CO 0.00 0.73 0.25 0.00 -1.05 0.00 0.00 178.16 178.09 2jxm h ALA 5 N 1.31 0.80 -0.63 3.88 0.00 -1.07 -1.92 119.26 121.64 2jxm h ALA 5 Ca 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2jxm h ALA 5 Cb 0.42 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2jxm h ALA 5 CO 0.02 0.41 0.34 1.96 0.00 0.00 0.00 179.25 181.98 2jxm h GLN 6 N 0.85 0.88 -0.47 0.00 4.20 -0.55 0.21 115.11 120.22 2jxm h GLN 6 Ca 0.20 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 2jxm h GLN 6 Cb 0.20 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2jxm h GLN 6 CO -0.02 0.67 -0.03 1.88 -0.67 0.00 0.00 178.83 180.66 2jxm h TYR 7 N 0.85 0.94 -0.05 2.96 -1.99 -1.21 -3.30 116.97 115.17 2jxm h TYR 7 Ca 0.22 -0.17 -0.21 0.00 2.00 0.00 0.00 58.73 60.56 2jxm h TYR 7 Cb 0.05 -0.24 0.01 0.00 2.00 0.00 0.00 36.73 38.55 2jxm h TYR 7 CO -0.01 0.91 -0.80 -0.91 -0.00 0.00 0.00 178.16 177.34 2jxm h ASN 8 N 0.71 0.79 -3.43 3.88 4.21 -0.94 -3.46 115.58 117.35 2jxm h ASN 8 Ca 0.13 -0.70 -0.49 0.00 1.21 0.00 0.00 56.30 56.45 2jxm h ASN 8 Cb 0.55 -0.24 -0.34 0.00 -1.12 0.00 0.00 38.32 37.17 2jxm h ASN 8 CO 0.03 1.38 -0.80 -0.31 -1.29 0.00 0.00 177.43 176.44 2jxm s TYR 9 N -3.44 1.29 0.15 1.19 1.51 0.69 -4.99 117.35 113.76 2jxm s TYR 9 Ca -0.11 -0.46 -0.12 0.00 -1.01 0.00 0.00 57.07 55.37 2jxm s TYR 9 Cb 0.06 -0.97 0.00 0.00 -0.11 0.00 0.00 41.96 40.94 2jxm s TYR 9 CO 0.88 -0.26 1.56 0.22 -1.11 0.00 0.00 175.55 176.85 2jxm h ASP 10 N 7.02 0.90 -3.43 2.29 1.82 -1.84 -3.41 116.42 119.78 2jxm h ASP 10 Ca -0.33 -0.36 -0.65 0.00 -0.39 0.00 0.00 57.03 55.31 2jxm h ASP 10 Cb 1.18 -0.25 -0.26 0.00 0.68 0.00 0.00 39.33 40.68 2jxm h ASP 10 CO 0.47 1.05 -0.70 -0.94 -1.61 0.00 0.00 179.24 177.51 2jxm s SER 11 N -6.50 4.46 0.23 2.28 1.04 -1.26 -4.98 113.70 108.97 2jxm s SER 11 Ca -0.12 -0.34 0.24 0.00 0.48 0.00 0.00 55.95 56.22 2jxm s SER 11 Cb 0.11 -1.77 0.92 0.00 0.10 0.00 0.00 66.02 65.39 2jxm s SER 11 CO 0.84 0.00 1.73 -0.81 0.98 0.00 0.00 173.24 175.98 2jxm n PRO 12 N 4.66 0.21 -4.55 4.02 -0.04 -1.26 -4.67 135.00 133.37 2jxm n PRO 12 Ca -0.18 0.35 -0.33 0.00 -0.04 0.00 0.00 63.50 63.30 2jxm n PRO 12 Cb 0.51 -1.84 -0.16 0.00 -0.04 0.00 0.00 33.50 31.98 2jxm n PRO 12 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2jxm s ARG 13 N -3.24 3.17 0.74 0.54 3.52 -1.26 -1.21 118.95 121.21 2jxm s ARG 13 Ca 0.06 -0.78 -0.12 0.00 -0.13 0.00 0.00 55.73 54.77 2jxm s ARG 13 Cb 0.10 -2.58 0.03 0.00 -1.56 0.00 0.00 34.95 30.95 2jxm s ARG 13 CO 0.46 0.00 1.11 -1.21 -0.81 0.00 0.00 175.30 174.85 2jxm s GLU 14 N 0.83 2.58 0.34 5.12 2.02 0.10 -4.88 118.70 124.81 2jxm s GLU 14 Ca -0.05 0.43 0.02 0.00 0.02 0.00 0.00 54.97 55.39 2jxm s GLU 14 Cb -0.15 -1.99 0.62 0.00 0.10 0.00 0.00 34.13 32.70 2jxm s GLU 14 CO -0.01 -1.23 2.00 0.00 0.02 0.00 0.00 175.26 176.04 2jxm h ALA 15 N -0.80 1.54 0.00 5.21 0.00 -1.99 0.42 119.26 123.64 2jxm h ALA 15 Ca -0.45 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 2jxm h ALA 15 Cb 1.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2jxm h ALA 15 CO 0.63 0.42 -0.17 1.79 0.00 0.00 0.00 179.25 181.93 2jxm h THR 16 N 0.89 0.95 0.00 0.00 1.35 -2.05 -3.45 112.91 110.61 2jxm h THR 16 Ca 0.25 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2jxm h THR 16 Cb -0.07 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 2jxm h THR 16 CO -0.06 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 2jxm n GLY 17 N -0.91 0.73 3.75 5.82 0.00 0.15 -5.07 105.19 109.66 2jxm n GLY 17 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2jxm n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jxm s LYS 18 N -0.52 4.55 0.05 1.61 2.20 -1.25 -4.64 119.74 121.73 2jxm s LYS 18 Ca 0.00 1.87 -0.19 0.00 -0.36 0.00 0.00 55.97 57.29 2jxm s LYS 18 Cb 0.00 -3.20 -0.06 0.00 -1.51 0.00 0.00 37.83 33.05 2jxm s LYS 18 CO 0.00 0.04 0.55 0.42 -0.36 0.00 0.00 175.35 176.00 2jxm s ILE 19 N -0.64 4.81 0.58 5.43 -1.09 -1.26 0.03 121.20 129.06 2jxm s ILE 19 Ca 0.49 1.16 0.28 0.00 -2.23 0.00 0.00 60.65 60.35 2jxm s ILE 19 Cb -0.33 -3.87 0.35 0.00 -1.58 0.00 0.00 42.46 37.03 2jxm s ILE 19 CO 0.40 0.54 2.19 0.58 -1.23 0.00 0.00 174.94 177.42 2jxm h VAL 20 N 3.65 0.54 -0.18 2.92 2.07 -1.50 -1.68 116.25 122.07 2jxm h VAL 20 Ca -0.49 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.08 2jxm h VAL 20 Cb 1.21 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2jxm h VAL 20 CO 0.64 0.00 0.16 0.00 0.02 0.00 0.00 177.57 178.39 2jxm h ALA 22 N 1.85 2.03 -0.56 0.00 0.00 -1.51 -0.08 119.26 120.99 2jxm h ALA 22 Ca 0.09 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2jxm h ALA 22 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2jxm h ALA 22 CO -0.00 -0.07 0.35 -0.91 0.00 0.00 0.00 179.25 178.62 2jxm h ASN 23 N 0.00 0.58 0.14 0.00 2.35 -1.19 -3.23 115.58 114.24 2jxm h ASN 23 Ca 0.03 -0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.51 2jxm h ASN 23 Cb 0.11 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.36 2jxm h ASN 23 CO -0.00 0.41 -1.26 0.00 -1.65 0.00 0.00 177.43 174.93 2jxm s HIS 25 N -2.48 3.36 0.23 0.00 3.76 -0.10 -1.71 115.29 118.35 2jxm s HIS 25 Ca -0.16 -1.46 -0.01 0.00 -0.15 0.00 0.00 55.06 53.28 2jxm s HIS 25 Cb 0.03 -3.85 0.25 0.00 1.11 0.00 0.00 32.58 30.13 2jxm s HIS 25 CO 0.81 -1.06 1.62 -0.07 -0.85 0.00 0.00 174.74 175.19 2jxm h LEU 26 N 8.74 0.57-10.07 0.89 3.38 -1.85 -3.40 115.31 113.57 2jxm h LEU 26 Ca -0.17 -0.24 -0.49 0.00 0.09 0.00 0.00 57.88 57.06 2jxm h LEU 26 Cb 1.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2jxm h LEU 26 CO 0.97 0.90 0.10 0.00 0.09 0.00 0.00 178.44 180.50 2jxm s ALA 27 N -4.29 3.33 -0.15 1.53 0.00 -1.26 -4.94 121.76 115.98 2jxm s ALA 27 Ca -0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.76 2jxm s ALA 27 Cb 0.13 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 2jxm s ALA 27 CO 0.82 0.20 0.11 -1.59 0.00 0.00 0.00 175.76 175.29 2jxm s LYS 28 N -3.33 3.69 0.12 0.00 -2.85 -1.26 -0.10 119.74 116.02 2jxm s LYS 28 Ca 0.53 -0.22 -0.04 0.00 -1.00 0.00 0.00 55.97 55.24 2jxm s LYS 28 Cb -0.10 -3.22 -0.03 0.00 -2.06 0.00 0.00 37.83 32.42 2jxm s LYS 28 CO 0.23 0.55 0.11 0.15 0.10 0.00 0.00 175.35 176.50 2jxm s LYS 29 N -0.40 0.92 0.59 1.78 1.02 -1.01 -4.74 119.74 117.91 2jxm s LYS 29 Ca 0.11 -1.29 -0.16 0.00 0.02 0.00 0.00 55.97 54.66 2jxm s LYS 29 Cb -0.12 0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.44 2jxm s LYS 29 CO 0.01 -0.28 1.05 -0.08 -0.92 0.00 0.00 175.35 175.14 2jxm s THR 30 N -3.99 3.86 -0.01 2.17 -1.32 -1.26 -2.62 115.64 112.48 2jxm s THR 30 Ca 0.17 0.87 0.01 0.00 -1.21 0.00 0.00 61.69 61.54 2jxm s THR 30 Cb 0.06 -3.40 0.00 0.00 -1.51 0.00 0.00 72.50 67.65 2jxm s THR 30 CO -0.02 -0.53 -0.03 0.68 -2.21 0.00 0.00 174.62 172.50 2jxm s VAL 31 N -2.49 0.29 0.03 5.08 -7.23 -1.26 -4.31 120.40 110.51 2jxm s VAL 31 Ca 0.63 -0.14 0.05 0.00 -1.81 0.00 0.00 61.98 60.71 2jxm s VAL 31 Cb -0.16 -0.26 -0.02 0.00 0.56 0.00 0.00 36.38 36.50 2jxm s VAL 31 CO 0.37 0.09 -0.16 -1.61 -0.31 0.00 0.00 175.10 173.49 2jxm s GLU 32 N 0.02 1.11 -0.05 4.82 8.01 -0.76 -4.59 118.70 127.27 2jxm s GLU 32 Ca 0.00 -0.74 -0.04 0.00 0.01 0.00 0.00 54.97 54.20 2jxm s GLU 32 Cb -0.03 -1.14 0.02 0.00 -4.31 0.00 0.00 34.13 28.68 2jxm s GLU 32 CO -0.00 0.29 0.13 -1.50 0.01 0.00 0.00 175.26 174.19 2jxm s ILE 33 N -0.71 -0.02 -0.03 -1.63 2.07 -1.26 -1.67 121.20 117.97 2jxm s ILE 33 Ca 0.04 0.07 0.03 0.00 -1.41 0.00 0.00 60.65 59.38 2jxm s ILE 33 Cb -0.07 -0.20 -0.00 0.00 0.13 0.00 0.00 42.46 42.31 2jxm s ILE 33 CO 0.01 0.03 -0.13 -1.61 -1.91 0.00 0.00 174.94 171.33 2jxm s GLU 34 N 0.48 1.23 0.16 3.50 2.02 -0.01 -4.95 118.70 121.13 2jxm s GLU 34 Ca -0.03 -0.44 -0.05 0.00 0.02 0.00 0.00 54.97 54.47 2jxm s GLU 34 Cb -0.05 -1.13 -0.03 0.00 0.10 0.00 0.00 34.13 33.02 2jxm s GLU 34 CO -0.02 0.20 0.17 0.14 0.02 0.00 0.00 175.26 175.77 2jxm s VAL 35 N 0.00 0.07 0.77 2.63 -7.23 -1.26 -0.80 120.40 114.58 2jxm s VAL 35 Ca -0.01 -1.69 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 2jxm s VAL 35 Cb -0.08 -2.01 0.06 0.00 0.56 0.00 0.00 36.38 34.90 2jxm s VAL 35 CO 0.01 -0.34 1.09 -2.84 -0.31 0.00 0.00 175.10 172.71 2jxm s PRO 36 N -4.02 2.26 0.13 4.82 0.02 -1.26 -4.93 135.00 132.00 2jxm s PRO 36 Ca 0.23 1.19 -0.17 0.00 0.02 0.00 0.00 61.00 62.26 2jxm s PRO 36 Cb 0.05 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.65 2jxm s PRO 36 CO 0.02 -1.64 1.69 1.96 -0.33 0.00 0.00 177.00 178.70 2jxm h GLN 37 N -1.08 0.50 -3.85 5.54 4.20 -1.95 -3.43 115.11 115.03 2jxm h GLN 37 Ca -0.44 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.10 2jxm h GLN 37 Cb 1.23 -0.09 -0.14 0.00 0.30 0.00 0.00 27.48 28.78 2jxm h GLN 37 CO 0.51 0.47 -0.42 0.00 -0.67 0.00 0.00 178.83 178.72 2jxm s ALA 38 N -5.67 -0.13 0.01 3.87 0.00 -1.26 -1.01 121.76 117.56 2jxm s ALA 38 Ca -0.13 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 2jxm s ALA 38 Cb 0.09 0.44 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 2jxm s ALA 38 CO 0.73 -0.48 0.02 0.14 0.00 0.00 0.00 175.76 176.18 2jxm s VAL 39 N -3.75 0.10 0.56 0.00 -7.23 -0.08 -4.89 120.40 105.11 2jxm s VAL 39 Ca 0.04 -0.81 -0.11 0.00 -1.81 0.00 0.00 61.98 59.30 2jxm s VAL 39 Cb 0.05 -0.30 -0.05 0.00 0.56 0.00 0.00 36.38 36.64 2jxm s VAL 39 CO -0.10 -0.44 0.95 -0.76 -0.31 0.00 0.00 175.10 174.44 2jxm s LEU 40 N -1.37 3.42 0.00 1.32 1.02 -1.26 -0.76 118.68 121.05 2jxm s LEU 40 Ca -0.15 1.33 0.00 0.00 0.02 0.00 0.00 54.13 55.33 2jxm s LEU 40 Cb -0.09 -4.32 0.00 0.00 0.02 0.00 0.00 46.19 41.80 2jxm s LEU 40 CO -0.00 -0.73 0.00 -0.81 0.02 0.00 0.00 176.35 174.83 2jxm n PRO 41 N -2.34 0.00 -2.73 1.29 -0.04 -1.25 -3.21 135.00 126.72 2jxm n PRO 41 Ca 0.05 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.07 2jxm n PRO 41 Cb 0.54 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 2jxm n PRO 41 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2jxm n ASP 42 N 0.00 5.06 -4.25 3.54 -0.08 -1.23 -4.02 116.55 115.57 2jxm n ASP 42 Ca 0.00 -2.96 -0.14 0.00 -1.51 0.00 0.00 54.79 50.18 2jxm n ASP 42 Cb 0.00 -1.64 -0.10 0.00 2.34 0.00 0.00 41.12 41.72 2jxm n ASP 42 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2jxm s THR 43 N 2.61 1.17 -0.09 5.18 -1.32 -1.20 -4.89 115.64 117.09 2jxm s THR 43 Ca 0.47 -2.06 -0.02 0.00 -1.21 0.00 0.00 61.69 58.88 2jxm s THR 43 Cb 0.01 -1.86 -0.03 0.00 -1.51 0.00 0.00 72.50 69.11 2jxm s THR 43 CO 0.03 -0.74 -0.02 -0.69 -2.21 0.00 0.00 174.62 170.99 2jxm s VAL 44 N -3.33 4.10 0.16 5.08 1.01 -1.26 -0.58 120.40 125.58 2jxm s VAL 44 Ca 0.17 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 2jxm s VAL 44 Cb 0.03 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 2jxm s VAL 44 CO 0.01 0.58 0.15 0.72 0.00 0.00 0.00 175.10 176.56 2jxm s PHE 45 N -0.65 0.78 -0.09 5.22 -0.71 0.37 -4.92 117.98 117.98 2jxm s PHE 45 Ca 0.10 -1.12 -0.03 0.00 -1.04 0.00 0.00 56.93 54.84 2jxm s PHE 45 Cb -0.12 -0.36 -0.03 0.00 -1.21 0.00 0.00 43.02 41.30 2jxm s PHE 45 CO 0.02 -0.62 0.04 0.15 -1.34 0.00 0.00 175.22 173.47 2jxm s LYS 46 N -4.05 3.10 -0.20 1.99 3.01 -1.26 0.20 119.74 122.53 2jxm s LYS 46 Ca 0.25 -0.34 -0.02 0.00 -1.01 0.00 0.00 55.97 54.85 2jxm s LYS 46 Cb 0.06 -2.89 -0.00 0.00 -1.01 0.00 0.00 37.83 33.98 2jxm s LYS 46 CO 0.04 0.72 -0.09 0.00 0.51 0.00 0.00 175.35 176.53 2jxm s ALA 47 N -0.91 2.69 -0.20 5.17 0.00 -0.36 -4.43 121.76 123.73 2jxm s ALA 47 Ca 0.14 -1.15 -0.08 0.00 0.00 0.00 0.00 51.96 50.87 2jxm s ALA 47 Cb -0.11 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 2jxm s ALA 47 CO 0.03 -0.33 0.08 0.08 0.00 0.00 0.00 175.76 175.62 2jxm s VAL 48 N 1.31 4.85 -0.04 0.00 1.01 0.02 -0.75 120.40 126.80 2jxm s VAL 48 Ca 0.04 -0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.08 2jxm s VAL 48 Cb -0.14 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 2jxm s VAL 48 CO -0.04 0.42 -0.24 -0.69 0.00 0.00 0.00 175.10 174.55 2jxm s VAL 49 N 0.66 2.15 0.01 2.92 1.01 -0.15 -0.83 120.40 126.17 2jxm s VAL 49 Ca 0.04 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 61.00 2jxm s VAL 49 Cb -0.13 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 2jxm s VAL 49 CO 0.01 0.57 -0.08 -0.54 0.00 0.00 0.00 175.10 175.07 2jxm s LYS 50 N -0.37 0.61 -0.41 2.72 1.02 -0.67 -0.66 119.74 121.97 2jxm s LYS 50 Ca 0.03 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 55.61 2jxm s LYS 50 Cb -0.12 -0.55 0.13 0.00 -0.52 0.00 0.00 37.83 36.77 2jxm s LYS 50 CO 0.02 0.14 0.22 0.54 -0.92 0.00 0.00 175.35 175.35 2jxm s VAL 51 N -0.51 1.07 0.32 3.17 0.11 -1.26 -1.82 120.40 121.48 2jxm s VAL 51 Ca -0.00 -2.28 -0.27 0.00 -2.93 0.00 0.00 61.98 56.50 2jxm s VAL 51 Cb -0.05 -1.76 -0.09 0.00 -1.53 0.00 0.00 36.38 32.95 2jxm s VAL 51 CO 0.00 -0.90 1.06 -2.16 -3.33 0.00 0.00 175.10 169.76 2jxm s PRO 52 N 0.60 4.48 0.19 1.54 0.04 -1.26 -4.98 135.00 135.60 2jxm s PRO 52 Ca 0.17 1.64 -0.23 0.00 0.04 0.00 0.00 61.00 62.63 2jxm s PRO 52 Cb -0.24 -2.93 0.06 0.00 0.04 0.00 0.00 34.50 31.42 2jxm s PRO 52 CO -0.01 0.11 0.67 1.52 0.04 0.00 0.00 177.00 179.33 2jxm s TYR 53 N -1.37 -0.41 -0.28 0.56 1.13 -1.26 -4.72 117.35 111.00 2jxm s TYR 53 Ca 0.49 0.12 -0.28 0.00 -1.41 0.00 0.00 57.07 55.99 2jxm s TYR 53 Cb -0.27 0.61 0.01 0.00 -1.10 0.00 0.00 41.96 41.21 2jxm s TYR 53 CO 0.34 -0.95 1.03 0.34 -2.51 0.00 0.00 175.55 173.80 2jxm s ASP 54 N -2.79 6.97 0.49 -0.18 -1.08 -1.26 -4.87 116.67 113.94 2jxm s ASP 54 Ca 0.05 1.15 0.21 0.00 -0.52 0.00 0.00 52.55 53.44 2jxm s ASP 54 Cb -0.03 -2.53 1.26 0.00 -1.46 0.00 0.00 42.92 40.16 2jxm s ASP 54 CO -0.06 -0.77 2.04 -0.07 0.52 0.00 0.00 175.17 176.84 2jxm h LEU 55 N 9.77 0.00 -1.62 -1.34 -0.00 -2.01 -1.86 115.31 118.26 2jxm h LEU 55 Ca -0.20 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.63 2jxm h LEU 55 Cb 1.06 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.72 2jxm h LEU 55 CO 1.00 0.14 -0.20 0.44 -0.00 0.00 0.00 178.44 179.82 2jxm h ASP 56 N 0.00 0.00 -3.27 -0.43 3.32 -2.04 -3.43 116.42 110.56 2jxm h ASP 56 Ca -0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 2jxm h ASP 56 Cb 0.31 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.78 2jxm h ASP 56 CO 0.02 0.20 -0.15 -0.51 -1.72 0.00 0.00 179.24 177.08 2jxm s ILE 57 N -4.17 5.14 0.31 0.35 2.07 -0.70 -5.06 121.20 119.14 2jxm s ILE 57 Ca -0.03 0.93 0.01 0.00 -1.41 0.00 0.00 60.65 60.16 2jxm s ILE 57 Cb 0.13 -3.79 -0.03 0.00 0.13 0.00 0.00 42.46 38.90 2jxm s ILE 57 CO 0.64 0.38 0.50 -1.10 -1.91 0.00 0.00 174.94 173.45 2jxm s GLN 58 N 0.24 3.48 0.23 3.50 -0.21 -1.26 -4.85 119.66 120.78 2jxm s GLN 58 Ca 0.25 -0.42 0.11 0.00 0.02 0.00 0.00 55.36 55.32 2jxm s GLN 58 Cb -0.15 -2.72 -0.05 0.00 1.00 0.00 0.00 33.01 31.09 2jxm s GLN 58 CO 0.11 0.23 -0.17 -1.14 -2.12 0.00 0.00 175.29 172.19 2jxm s GLN 59 N -4.18 1.77 0.09 2.91 0.74 -0.24 -4.86 119.66 115.89 2jxm s GLN 59 Ca 0.39 -1.54 -0.30 0.00 0.05 0.00 0.00 55.36 53.95 2jxm s GLN 59 Cb -0.10 -1.92 -0.06 0.00 1.10 0.00 0.00 33.01 32.03 2jxm s GLN 59 CO 0.34 0.38 1.13 0.08 -0.55 0.00 0.00 175.29 176.67 2jxm s VAL 60 N -2.03 4.11 0.48 1.34 1.01 -1.26 -1.05 120.40 123.00 2jxm s VAL 60 Ca 0.26 1.61 0.07 0.00 0.00 0.00 0.00 61.98 63.92 2jxm s VAL 60 Cb -0.07 -4.03 0.07 0.00 0.00 0.00 0.00 36.38 32.35 2jxm s VAL 60 CO 0.14 0.18 0.59 0.00 0.00 0.00 0.00 175.10 176.01 2jxm n GLN 61 N 3.37 0.70 -0.34 2.72 10.64 0.73 -4.89 117.38 130.31 2jxm n GLN 61 Ca 0.06 -2.69 0.01 0.00 -1.83 0.00 0.00 57.00 52.55 2jxm n GLN 61 Cb 0.47 -0.08 0.17 0.00 -0.86 0.00 0.00 30.24 29.94 2jxm n GLN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2jxm h ALA 62 N 0.30 1.39 0.00 2.61 0.00 -1.96 -0.10 119.26 121.50 2jxm h ALA 62 Ca -0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jxm h ALA 62 Cb 1.05 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2jxm h ALA 62 CO 0.36 0.52 0.00 -0.44 0.00 0.00 0.00 179.25 179.69 2jxm h ASP 63 N 1.20 0.00 0.00 0.00 3.32 -1.95 -3.46 116.42 115.53 2jxm h ASP 63 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 2jxm h ASP 63 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2jxm h ASP 63 CO -0.12 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.01 2jxm n GLY 64 N 0.49 1.56 3.88 2.75 0.00 -0.05 -4.89 105.19 108.93 2jxm n GLY 64 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2jxm n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jxm s SER 65 N -1.77 5.96 0.38 1.61 0.01 -1.26 -4.28 113.70 114.35 2jxm s SER 65 Ca 0.00 1.26 -0.23 0.00 1.31 0.00 0.00 55.95 58.29 2jxm s SER 65 Cb 0.00 -2.25 -0.10 0.00 0.21 0.00 0.00 66.02 63.87 2jxm s SER 65 CO 0.00 -1.00 0.94 -2.16 0.41 0.00 0.00 173.24 171.43 2jxm s PRO 66 N -5.19 4.38 0.18 12.44 0.05 -1.26 -0.19 135.00 145.40 2jxm s PRO 66 Ca 0.55 1.20 -0.09 0.00 0.05 0.00 0.00 61.00 62.71 2jxm s PRO 66 Cb -0.11 -2.47 0.04 0.00 0.05 0.00 0.00 34.50 32.01 2jxm s PRO 66 CO 0.52 0.12 0.48 -1.13 0.05 0.00 0.00 177.00 177.04 2jxm n SER 67 N -0.09 -1.16 -4.74 6.66 3.41 -0.21 -4.88 113.62 112.60 2jxm n SER 67 Ca 0.05 -1.75 -0.29 0.00 -0.26 0.00 0.00 58.87 56.62 2jxm n SER 67 Cb 0.52 1.92 0.12 0.00 -0.26 0.00 0.00 64.21 66.50 2jxm n SER 67 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2jxm s GLY 68 N -2.34 1.62 0.13 5.00 0.00 -1.26 -1.08 107.32 109.39 2jxm s GLY 68 Ca 0.10 -0.73 0.04 0.00 0.00 0.00 0.00 44.72 44.14 2jxm s GLY 68 CO 0.05 -0.17 0.11 1.08 0.00 0.00 0.00 173.10 174.17 2jxm s LEU 69 N -5.72 3.79 0.21 0.66 1.02 -1.26 -4.73 118.68 112.65 2jxm s LEU 69 Ca 0.64 -0.09 0.09 0.00 0.02 0.00 0.00 54.13 54.79 2jxm s LEU 69 Cb -0.10 -2.43 -0.04 0.00 0.02 0.00 0.00 46.19 43.63 2jxm s LEU 69 CO 0.50 0.11 -0.08 0.20 0.02 0.00 0.00 176.35 177.10 2jxm s ASN 70 N -2.84 4.26 0.23 2.29 0.02 -1.26 -1.51 114.94 116.13 2jxm s ASN 70 Ca 0.30 -0.63 0.06 0.00 -1.02 0.00 0.00 52.86 51.57 2jxm s ASN 70 Cb -0.11 -0.71 -0.05 0.00 0.02 0.00 0.00 41.25 40.40 2jxm s ASN 70 CO 0.23 0.08 -0.07 0.68 0.02 0.00 0.00 177.10 178.03 2jxm s VAL 71 N -1.89 1.46 0.10 1.60 -7.23 0.45 -1.49 120.40 113.40 2jxm s VAL 71 Ca 0.27 -2.12 -0.26 0.00 -1.81 0.00 0.00 61.98 58.06 2jxm s VAL 71 Cb -0.08 -2.25 0.08 0.00 0.56 0.00 0.00 36.38 34.69 2jxm s VAL 71 CO 0.16 -0.43 0.96 -0.83 -0.31 0.00 0.00 175.10 174.65 2jxm s GLY 72 N -3.34 -0.31 0.18 2.32 0.00 -0.62 -0.88 107.32 104.67 2jxm s GLY 72 Ca 0.26 0.42 -0.23 0.00 0.00 0.00 0.00 44.72 45.16 2jxm s GLY 72 CO 0.08 0.11 0.69 0.00 0.00 0.00 0.00 173.10 173.98 2jxm s ALA 73 N -3.19 -1.50 -0.11 3.20 0.00 -0.49 -0.88 121.76 118.79 2jxm s ALA 73 Ca 0.10 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.33 2jxm s ALA 73 Cb -0.01 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.93 2jxm s ALA 73 CO -0.01 -0.87 -0.19 0.54 0.00 0.00 0.00 175.76 175.22 2jxm s VAL 74 N -3.71 1.80 -0.24 0.00 0.11 0.29 -1.70 120.40 116.96 2jxm s VAL 74 Ca 0.06 -0.84 -0.01 0.00 -2.93 0.00 0.00 61.98 58.26 2jxm s VAL 74 Cb -0.03 -1.60 0.03 0.00 -1.53 0.00 0.00 36.38 33.25 2jxm s VAL 74 CO -0.05 0.50 -0.09 -0.22 -3.33 0.00 0.00 175.10 171.91 2jxm s LEU 75 N 0.75 3.01 -0.36 2.54 2.96 0.10 -1.39 118.68 126.29 2jxm s LEU 75 Ca -0.10 -0.88 -0.13 0.00 -0.22 0.00 0.00 54.13 52.80 2jxm s LEU 75 Cb -0.16 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 44.92 2jxm s LEU 75 CO 0.01 -0.11 0.24 -0.04 -1.32 0.00 0.00 176.35 175.14 2jxm s MET 76 N 1.29 3.23 0.44 1.98 -1.94 0.97 -1.22 119.30 124.04 2jxm s MET 76 Ca 0.00 -0.82 0.04 0.00 -1.71 0.00 0.00 55.69 53.20 2jxm s MET 76 Cb -0.16 -3.81 0.01 0.00 2.01 0.00 0.00 34.83 32.87 2jxm s MET 76 CO -0.06 -0.57 0.62 -0.51 -0.01 0.00 0.00 175.02 174.49 2jxm s LEU 77 N 1.67 3.64 0.88 -0.03 1.43 -0.52 -1.35 118.68 124.40 2jxm s LEU 77 Ca 0.05 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 2jxm s LEU 77 Cb -0.18 -2.86 0.12 0.00 0.03 0.00 0.00 46.19 43.29 2jxm s LEU 77 CO 0.09 -0.76 1.09 -2.84 0.23 0.00 0.00 176.35 174.17 2jxm s PRO 78 N -4.46 1.43 0.33 1.29 0.02 -1.26 -4.74 135.00 127.61 2jxm s PRO 78 Ca 0.51 0.79 -0.29 0.00 0.02 0.00 0.00 61.00 62.03 2jxm s PRO 78 Cb -0.10 -1.83 -0.12 0.00 0.02 0.00 0.00 34.50 32.47 2jxm s PRO 78 CO 0.35 -2.11 1.39 0.39 -0.33 0.00 0.00 177.00 176.69 2jxm n GLU 79 N -3.79 2.32 0.00 5.54 -0.58 -1.26 -1.80 120.64 121.07 2jxm n GLU 79 Ca 0.07 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.63 2jxm n GLU 79 Cb 0.55 -2.47 0.00 0.00 -0.57 0.00 0.00 31.44 28.95 2jxm n GLU 79 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jxm n GLY 80 N 1.06 3.30 3.78 0.62 0.00 -1.26 -4.88 105.19 107.82 2jxm n GLY 80 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 2jxm n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jxm s PHE 81 N -2.28 3.67 0.22 1.61 0.40 -0.74 -3.89 117.98 116.97 2jxm s PHE 81 Ca 0.00 1.77 -0.10 0.00 -0.60 0.00 0.00 56.93 58.00 2jxm s PHE 81 Cb 0.00 -2.91 -0.01 0.00 0.51 0.00 0.00 43.02 40.60 2jxm s PHE 81 CO 0.00 0.19 0.38 -1.59 0.70 0.00 0.00 175.22 174.91 2jxm s LYS 82 N -2.12 1.42 0.43 0.44 -2.85 -0.92 -3.53 119.74 112.61 2jxm s LYS 82 Ca 0.51 -1.31 -0.24 0.00 -1.00 0.00 0.00 55.97 53.93 2jxm s LYS 82 Cb -0.18 0.42 -0.08 0.00 -2.06 0.00 0.00 37.83 35.93 2jxm s LYS 82 CO 0.23 -0.56 1.20 -1.17 0.10 0.00 0.00 175.35 175.15 2jxm s LEU 83 N -3.04 4.11 0.33 2.77 2.96 -1.26 -0.15 118.68 124.41 2jxm s LEU 83 Ca 0.25 2.40 -0.27 0.00 -0.22 0.00 0.00 54.13 56.29 2jxm s LEU 83 Cb 0.01 -4.10 -0.09 0.00 0.50 0.00 0.00 46.19 42.51 2jxm s LEU 83 CO 0.08 -0.83 1.01 0.00 -1.32 0.00 0.00 176.35 175.28 2jxm s ALA 84 N -1.43 3.22 0.53 5.97 0.00 -0.45 -4.54 121.76 125.07 2jxm s ALA 84 Ca 0.60 0.67 -0.19 0.00 0.00 0.00 0.00 51.96 53.04 2jxm s ALA 84 Cb -0.31 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.50 2jxm s ALA 84 CO 0.39 -0.01 1.05 -1.25 0.00 0.00 0.00 175.76 175.94 2jxm s PRO 85 N -1.97 3.60 0.33 0.00 0.04 -1.26 -4.88 135.00 130.85 2jxm s PRO 85 Ca 0.50 1.32 0.06 0.00 0.04 0.00 0.00 61.00 62.92 2jxm s PRO 85 Cb -0.23 -2.07 0.71 0.00 0.04 0.00 0.00 34.50 32.95 2jxm s PRO 85 CO 0.29 -0.60 1.86 -1.00 0.04 0.00 0.00 177.00 177.60 2jxm h PRO 86 N 1.12 0.80 -0.34 0.56 0.13 -1.96 -0.98 132.00 131.32 2jxm h PRO 86 Ca -0.49 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.54 2jxm h PRO 86 Cb 1.22 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 2jxm h PRO 86 CO 0.58 0.53 -0.02 0.93 -0.23 0.00 0.00 178.00 179.79 2jxm h GLU 87 N 0.82 0.54 0.00 0.86 5.08 -2.03 -2.37 114.58 117.48 2jxm h GLU 87 Ca 0.46 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.62 2jxm h GLU 87 Cb 0.60 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2jxm h GLU 87 CO -0.22 0.59 -0.38 0.00 -1.00 0.00 0.00 179.01 177.99 2jxm h ARG 88 N 0.52 0.00 -6.41 2.33 2.47 -1.55 -3.45 114.38 108.29 2jxm h ARG 88 Ca 0.11 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 58.29 2jxm h ARG 88 Cb 0.37 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.68 2jxm h ARG 88 CO 0.01 0.38 0.68 0.08 0.56 0.00 0.00 179.97 181.68 2jxm s VAL 89 N -3.55 3.97 0.81 2.04 1.01 -0.90 -4.84 120.40 118.94 2jxm s VAL 89 Ca 0.00 1.37 -0.11 0.00 0.00 0.00 0.00 61.98 63.24 2jxm s VAL 89 Cb 0.11 -3.88 0.08 0.00 0.00 0.00 0.00 36.38 32.69 2jxm s VAL 89 CO 0.69 0.05 1.09 1.51 0.00 0.00 0.00 175.10 178.44 2jxm s ASP 90 N 1.37 4.24 0.13 3.32 -4.77 -1.26 -4.79 116.67 114.91 2jxm s ASP 90 Ca 0.59 1.56 -0.17 0.00 -3.30 0.00 0.00 52.55 51.23 2jxm s ASP 90 Cb -0.29 -2.28 -0.03 0.00 -1.09 0.00 0.00 42.92 39.23 2jxm s ASP 90 CO 0.26 -2.16 1.70 -0.33 0.70 0.00 0.00 175.17 175.34 2jxm h GLU 91 N -1.22 0.48 -0.84 2.11 4.39 -1.98 -2.46 114.58 115.07 2jxm h GLU 91 Ca -0.46 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.14 2jxm h GLU 91 Cb 1.26 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.78 2jxm h GLU 91 CO 0.55 0.44 0.42 1.49 -1.16 0.00 0.00 179.01 180.74 2jxm h GLU 92 N 0.41 1.20 -0.03 2.33 4.81 -2.04 -3.05 114.58 118.22 2jxm h GLU 92 Ca 0.12 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 2jxm h GLU 92 Cb 0.11 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2jxm h GLU 92 CO -0.01 0.92 -0.49 -0.07 -0.73 0.00 0.00 179.01 178.62 2jxm h LEU 93 N 1.20 0.07 -0.88 1.64 4.07 -1.85 -3.36 115.31 116.20 2jxm h LEU 93 Ca 0.29 -0.03 0.10 0.00 0.08 0.00 0.00 57.88 58.32 2jxm h LEU 93 Cb 0.10 -0.02 -0.08 0.00 1.08 0.00 0.00 40.66 41.74 2jxm h LEU 93 CO -0.04 0.55 0.52 0.24 -1.08 0.00 0.00 178.44 178.64 2jxm h MET 94 N 0.05 0.84 -0.03 1.13 2.86 -1.33 0.25 114.93 118.70 2jxm h MET 94 Ca -0.00 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 2jxm h MET 94 Cb 0.89 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 2jxm h MET 94 CO 0.07 0.56 -0.48 0.93 1.06 0.00 0.00 176.91 179.04 2jxm h GLU 95 N 0.86 0.07 0.00 1.72 4.39 -1.78 -3.12 114.58 116.72 2jxm h GLU 95 Ca 0.43 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 60.04 2jxm h GLU 95 Cb 0.39 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2jxm h GLU 95 CO -0.25 0.54 -0.24 0.93 -1.16 0.00 0.00 179.01 178.83 2jxm h GLU 96 N 0.06 0.00 -6.16 2.33 5.08 -0.71 -3.45 114.58 111.72 2jxm h GLU 96 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 2jxm h GLU 96 Cb 0.87 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 2jxm h GLU 96 CO 0.07 0.24 -0.45 0.08 -1.00 0.00 0.00 179.01 177.95 2jxm s VAL 97 N -3.85 5.20 0.88 3.13 1.01 -1.00 -4.83 120.40 120.95 2jxm s VAL 97 Ca -0.01 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 2jxm s VAL 97 Cb 0.12 -3.79 0.13 0.00 0.00 0.00 0.00 36.38 32.83 2jxm s VAL 97 CO 0.64 -0.27 1.15 -0.83 0.00 0.00 0.00 175.10 175.78 2jxm s GLY 98 N -3.79 1.75 -0.36 4.51 0.00 -0.46 -4.69 107.32 104.28 2jxm s GLY 98 Ca 0.34 0.59 -0.31 0.00 0.00 0.00 0.00 44.72 45.34 2jxm s GLY 98 CO 0.28 1.00 2.27 1.22 0.00 0.00 0.00 173.10 177.87 2jxm n ASP 99 N -4.04 2.45 -0.02 1.64 8.00 -1.26 -4.73 116.55 118.60 2jxm n ASP 99 Ca 0.12 0.17 -0.09 0.00 0.71 0.00 0.00 54.79 55.69 2jxm n ASP 99 Cb 0.52 -1.40 -0.04 0.00 -0.02 0.00 0.00 41.12 40.18 2jxm n ASP 99 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 2jxm h PHE 100 N 14.52 -0.07 0.27 1.24 -0.00 -1.93 -2.62 116.94 128.35 2jxm h PHE 100 Ca -0.30 0.01 -0.01 0.00 -0.00 0.00 0.00 57.97 57.67 2jxm h PHE 100 Cb 1.28 0.05 0.00 0.00 -0.00 0.00 0.00 35.95 37.29 2jxm h PHE 100 CO 0.96 -0.06 -0.13 1.88 -0.00 0.00 0.00 178.31 180.96 2jxm h TYR 101 N 0.00 -0.33 -0.35 6.09 -1.99 -1.90 -3.34 116.97 115.14 2jxm h TYR 101 Ca 0.07 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.79 2jxm h TYR 101 Cb 0.10 0.11 -0.02 0.00 2.00 0.00 0.00 36.73 38.93 2jxm h TYR 101 CO -0.18 0.02 0.23 -0.92 -0.00 0.00 0.00 178.16 177.32 2jxm h TYR 102 N -0.92 0.45 -0.15 4.88 3.20 -1.92 -2.54 116.97 119.97 2jxm h TYR 102 Ca -0.04 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.76 2jxm h TYR 102 Cb 0.50 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 2jxm h TYR 102 CO 0.05 0.29 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.51 2jxm h LEU 103 N 0.48 0.27 -9.37 2.82 3.38 -1.65 -3.44 115.31 107.80 2jxm h LEU 103 Ca 0.13 -0.09 -0.62 0.00 0.09 0.00 0.00 57.88 57.40 2jxm h LEU 103 Cb -0.05 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 40.52 2jxm h LEU 103 CO -0.03 0.56 -0.46 -0.69 0.09 0.00 0.00 178.44 177.91 2jxm s VAL 104 N -4.42 5.41 -0.02 1.22 1.01 -0.96 -4.41 120.40 118.24 2jxm s VAL 104 Ca -0.05 0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.23 2jxm s VAL 104 Cb 0.14 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 2jxm s VAL 104 CO 0.76 0.48 -0.16 0.28 0.00 0.00 0.00 175.10 176.46 2jxm s THR 105 N -0.01 1.26 0.51 3.92 -1.32 -0.67 -4.94 115.64 114.39 2jxm s THR 105 Ca 0.11 -0.68 -0.19 0.00 -1.21 0.00 0.00 61.69 59.73 2jxm s THR 105 Cb -0.12 -1.06 -0.07 0.00 -1.51 0.00 0.00 72.50 69.74 2jxm s THR 105 CO 0.01 0.36 1.04 -2.84 -2.21 0.00 0.00 174.62 170.97 2jxm s PRO 106 N -0.31 3.72 0.15 7.08 0.02 -1.26 -0.53 135.00 143.87 2jxm s PRO 106 Ca 0.05 1.29 -0.13 0.00 0.02 0.00 0.00 61.00 62.24 2jxm s PRO 106 Cb -0.07 -2.09 0.02 0.00 0.02 0.00 0.00 34.50 32.39 2jxm s PRO 106 CO -0.00 -0.49 1.62 -0.92 -0.33 0.00 0.00 177.00 176.88 2jxm h TYR 107 N 1.29 0.91 -3.21 6.54 3.20 -1.14 -3.46 116.97 121.09 2jxm h TYR 107 Ca -0.49 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.23 2jxm h TYR 107 Cb 1.22 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 39.20 2jxm h TYR 107 CO 0.58 0.84 0.15 -1.12 -1.64 0.00 0.00 178.16 176.97 2jxm s SER 108 N -6.29 -0.04 0.17 -2.11 0.01 -1.26 -4.96 113.70 99.21 2jxm s SER 108 Ca -0.13 -0.91 -0.13 0.00 1.31 0.00 0.00 55.95 56.09 2jxm s SER 108 Cb 0.12 0.74 0.06 0.00 0.21 0.00 0.00 66.02 67.14 2jxm s SER 108 CO 0.81 -1.42 1.76 -0.33 0.41 0.00 0.00 173.24 174.48 2jxm h GLU 109 N 2.05 0.77 -0.00 12.44 4.39 -2.01 -2.38 114.58 129.85 2jxm h GLU 109 Ca -0.25 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.21 2jxm h GLU 109 Cb 1.25 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 2jxm h GLU 109 CO 0.32 0.62 -0.63 0.00 -1.16 0.00 0.00 179.01 178.15 2jxm h THR 110 N 0.73 1.45 -0.10 1.13 1.03 -2.00 -3.34 112.91 111.81 2jxm h THR 110 Ca 0.19 -2.17 -0.00 0.00 -0.01 0.00 0.00 66.41 64.42 2jxm h THR 110 Cb 0.09 2.16 -0.00 0.00 -1.07 0.00 0.00 68.15 69.33 2jxm h THR 110 CO -0.03 0.62 0.01 0.47 -0.01 0.00 0.00 175.52 176.58 2jxm n ASP 111 N -3.79 1.88 0.17 0.00 8.00 -0.90 -4.72 116.55 117.18 2jxm n ASP 111 Ca -0.01 -2.16 0.19 0.00 0.71 0.00 0.00 54.79 53.51 2jxm n ASP 111 Cb 0.63 -0.53 0.79 0.00 -0.02 0.00 0.00 41.12 41.99 2jxm n ASP 111 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2jxm h GLU 112 N 0.65 0.00 0.00 -1.24 5.08 -1.68 0.28 114.58 117.67 2jxm h GLU 112 Ca 0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jxm h GLU 112 Cb 0.78 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 2jxm h GLU 112 CO 0.09 0.00 -0.01 -2.95 -1.00 0.00 0.00 179.01 175.14 2jxm h ASN 113 N 0.00 0.00 -3.79 1.42 -1.07 -1.84 -3.40 115.58 106.89 2jxm h ASN 113 Ca 0.13 0.00 -0.66 0.00 0.07 0.00 0.00 56.30 55.84 2jxm h ASN 113 Cb 0.83 0.00 -0.19 0.00 -2.07 0.00 0.00 38.32 36.89 2jxm h ASN 113 CO -0.00 0.01 -0.52 -0.63 0.07 0.00 0.00 177.43 176.36 2jxm s ILE 114 N -3.73 5.14 -0.11 6.14 1.09 0.97 -1.44 121.20 129.27 2jxm s ILE 114 Ca 0.00 -0.04 -0.01 0.00 -1.10 0.00 0.00 60.65 59.50 2jxm s ILE 114 Cb 0.09 -3.53 -0.03 0.00 -1.06 0.00 0.00 42.46 37.94 2jxm s ILE 114 CO 0.53 0.16 -0.05 -0.22 -0.10 0.00 0.00 174.94 175.26 2jxm s LEU 115 N 1.72 3.23 0.03 2.97 0.20 -0.36 -0.98 118.68 125.49 2jxm s LEU 115 Ca 0.06 -0.06 0.07 0.00 0.69 0.00 0.00 54.13 54.89 2jxm s LEU 115 Cb -0.16 -1.74 -0.03 0.00 -0.43 0.00 0.00 46.19 43.83 2jxm s LEU 115 CO 0.10 0.28 -0.19 -0.76 -0.29 0.00 0.00 176.35 175.49 2jxm s LEU 116 N -0.29 2.55 0.02 -0.68 1.43 0.32 0.01 118.68 122.04 2jxm s LEU 116 Ca 0.05 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 2jxm s LEU 116 Cb -0.13 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 2jxm s LEU 116 CO 0.02 0.27 -0.02 0.00 0.23 0.00 0.00 176.35 176.86 2jxm s ALA 117 N -0.87 0.08 0.00 4.21 0.00 -0.69 -1.67 121.76 122.82 2jxm s ALA 117 Ca 0.14 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2jxm s ALA 117 Cb -0.10 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.15 2jxm s ALA 117 CO 0.04 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.06 2jxm n GLY 118 N 1.67 0.78 3.77 0.00 0.00 -1.26 -1.39 105.19 108.77 2jxm n GLY 118 Ca -0.23 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.45 2jxm n GLY 118 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jxm s PRO 119 N -1.77 3.99 0.13 1.61 0.05 -1.26 -4.74 135.00 133.00 2jxm s PRO 119 Ca 0.00 1.69 0.05 0.00 0.05 0.00 0.00 61.00 62.80 2jxm s PRO 119 Cb 0.00 -2.54 -0.04 0.00 0.05 0.00 0.00 34.50 31.98 2jxm s PRO 119 CO 0.00 -0.33 -0.12 -0.51 0.05 0.00 0.00 177.00 176.09 2jxm s LEU 120 N -2.73 2.44 0.14 -3.56 1.43 -0.06 -4.91 118.68 111.43 2jxm s LEU 120 Ca 0.59 -0.86 -0.31 0.00 -1.03 0.00 0.00 54.13 52.52 2jxm s LEU 120 Cb -0.27 -0.46 -0.09 0.00 0.03 0.00 0.00 46.19 45.41 2jxm s LEU 120 CO 0.33 -0.21 1.42 -2.16 0.23 0.00 0.00 176.35 175.96 2jxm s PRO 121 N -2.96 4.30 0.27 1.29 0.05 -1.26 -0.41 135.00 136.28 2jxm s PRO 121 Ca 0.10 2.15 -0.02 0.00 0.05 0.00 0.00 61.00 63.28 2jxm s PRO 121 Cb -0.03 -3.21 0.35 0.00 0.05 0.00 0.00 34.50 31.66 2jxm s PRO 121 CO 0.02 -0.45 1.78 0.78 0.05 0.00 0.00 177.00 179.17 2jxm h GLY 122 N 6.56 0.86 1.36 0.56 0.00 -1.58 -2.54 103.07 108.30 2jxm h GLY 122 Ca -0.43 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.29 2jxm h GLY 122 CO 0.86 0.51 0.03 1.05 0.00 0.00 0.00 176.54 178.99 2jxm h GLU 123 N 0.75 0.78 -0.24 4.80 4.11 -1.90 -3.07 114.58 119.80 2jxm h GLU 123 Ca 0.15 -0.20 -0.18 0.00 0.07 0.00 0.00 59.36 59.20 2jxm h GLU 123 Cb 0.41 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2jxm h GLU 123 CO 0.01 0.77 -0.55 0.22 0.07 0.00 0.00 179.01 179.53 2jxm h ASP 124 N 0.74 0.91 -4.01 3.06 1.82 -1.86 -3.41 116.42 113.68 2jxm h ASP 124 Ca 0.15 -0.56 -0.71 0.00 -0.39 0.00 0.00 57.03 55.53 2jxm h ASP 124 Cb 0.41 -0.26 -0.34 0.00 0.68 0.00 0.00 39.33 39.81 2jxm h ASP 124 CO 0.01 1.30 -0.35 -0.31 -1.61 0.00 0.00 179.24 178.29 2jxm s TYR 125 N -4.04 3.46 0.18 0.28 1.51 -1.01 -4.82 117.35 112.92 2jxm s TYR 125 Ca -0.11 -2.59 -0.03 0.00 -1.01 0.00 0.00 57.07 53.33 2jxm s TYR 125 Cb 0.09 -3.27 0.09 0.00 -0.11 0.00 0.00 41.96 38.76 2jxm s TYR 125 CO 0.88 -0.87 1.47 1.96 -1.11 0.00 0.00 175.55 177.88 2jxm h GLN 126 N 7.25 0.50 -4.70 -0.62 1.08 -1.80 -3.44 115.11 113.39 2jxm h GLN 126 Ca -0.03 -0.35 -0.40 0.00 -1.45 0.00 0.00 58.65 56.42 2jxm h GLN 126 Cb 0.97 0.06 -0.29 0.00 -0.05 0.00 0.00 27.48 28.17 2jxm h GLN 126 CO 0.72 0.97 -0.78 -2.00 -0.95 0.00 0.00 178.83 176.79 2jxm s GLU 127 N -3.84 0.78 -0.20 1.46 2.12 -1.26 -4.39 118.70 113.37 2jxm s GLU 127 Ca -0.07 -0.32 -0.01 0.00 0.36 0.00 0.00 54.97 54.93 2jxm s GLU 127 Cb 0.11 -0.75 0.01 0.00 0.26 0.00 0.00 34.13 33.76 2jxm s GLU 127 CO 0.84 0.18 -0.12 -1.64 -0.54 0.00 0.00 175.26 173.98 2jxm s MET 128 N -0.12 3.15 -0.25 4.30 -1.94 0.16 -4.95 119.30 119.66 2jxm s MET 128 Ca 0.02 -0.75 -0.05 0.00 -1.71 0.00 0.00 55.69 53.20 2jxm s MET 128 Cb -0.05 -2.80 -0.01 0.00 2.01 0.00 0.00 34.83 33.99 2jxm s MET 128 CO -0.00 -0.22 0.01 -1.50 -0.01 0.00 0.00 175.02 173.29 2jxm s ILE 129 N 1.38 3.64 -0.22 2.53 2.07 -1.26 -0.98 121.20 128.36 2jxm s ILE 129 Ca 0.05 -0.52 -0.12 0.00 -1.41 0.00 0.00 60.65 58.64 2jxm s ILE 129 Cb -0.14 -2.74 -0.05 0.00 0.13 0.00 0.00 42.46 39.67 2jxm s ILE 129 CO -0.08 0.31 0.23 -0.36 -1.91 0.00 0.00 174.94 173.13 2jxm s PHE 130 N 1.50 3.36 -0.10 3.50 0.08 0.07 -1.36 117.98 125.04 2jxm s PHE 130 Ca 0.05 0.38 -0.30 0.00 0.12 0.00 0.00 56.93 57.18 2jxm s PHE 130 Cb -0.15 -2.33 -0.02 0.00 -0.57 0.00 0.00 43.02 39.95 2jxm s PHE 130 CO -0.01 0.09 1.14 -1.25 -0.10 0.00 0.00 175.22 175.09 2jxm s PRO 131 N 0.97 4.35 -0.02 0.24 0.04 -1.26 -1.22 135.00 138.10 2jxm s PRO 131 Ca 0.12 1.56 0.05 0.00 0.04 0.00 0.00 61.00 62.77 2jxm s PRO 131 Cb -0.13 -3.58 -0.01 0.00 0.04 0.00 0.00 34.50 30.81 2jxm s PRO 131 CO 0.04 -0.45 -0.18 0.42 0.04 0.00 0.00 177.00 176.87 2jxm s ILE 132 N 2.37 1.45 -0.21 0.56 1.01 0.13 -1.34 121.20 125.18 2jxm s ILE 132 Ca 0.53 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 2jxm s ILE 132 Cb -0.22 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 2jxm s ILE 132 CO 0.19 0.41 0.01 -0.22 0.00 0.00 0.00 174.94 175.33 2jxm s LEU 133 N -0.34 3.28 0.57 2.97 2.96 0.79 -0.48 118.68 128.43 2jxm s LEU 133 Ca 0.05 -0.20 -0.15 0.00 -0.22 0.00 0.00 54.13 53.60 2jxm s LEU 133 Cb -0.08 -1.84 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 2jxm s LEU 133 CO -0.00 0.05 1.02 -0.44 -1.32 0.00 0.00 176.35 175.66 2jxm s SER 134 N 1.08 6.21 0.89 3.68 0.01 0.25 -2.16 113.70 123.67 2jxm s SER 134 Ca 0.02 1.63 -0.14 0.00 1.31 0.00 0.00 55.95 58.78 2jxm s SER 134 Cb -0.14 -2.51 0.14 0.00 0.21 0.00 0.00 66.02 63.72 2jxm s SER 134 CO 0.02 -0.87 1.24 -2.16 0.41 0.00 0.00 173.24 171.88 2jxm s PRO 135 N -4.29 1.25 -0.24 12.44 0.04 -1.25 -3.98 135.00 138.98 2jxm s PRO 135 Ca 0.60 -0.12 0.01 0.00 0.04 0.00 0.00 61.00 61.53 2jxm s PRO 135 Cb -0.12 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.59 2jxm s PRO 135 CO 0.38 -2.04 -0.06 1.21 0.04 0.00 0.00 177.00 176.52 2jxm s ASN 136 N -4.68 3.94 0.50 6.66 2.47 -1.26 -3.56 114.94 119.01 2jxm s ASN 136 Ca 0.68 -1.21 0.24 0.00 0.42 0.00 0.00 52.86 52.99 2jxm s ASN 136 Cb -0.08 -1.24 1.33 0.00 -1.45 0.00 0.00 41.25 39.81 2jxm s ASN 136 CO 0.51 -0.23 2.04 -0.65 -3.72 0.00 0.00 177.10 175.06 2jxm h PRO 137 N 7.92 0.00 -0.38 0.43 0.11 -1.78 0.27 132.00 138.57 2jxm h PRO 137 Ca -0.18 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.91 2jxm h PRO 137 Cb 1.07 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2jxm h PRO 137 CO 0.42 0.14 0.17 0.00 -0.21 0.00 0.00 178.00 178.53 2jxm h ALA 138 N 1.86 0.49 0.02 -0.75 0.00 -1.95 -2.85 119.26 116.07 2jxm h ALA 138 Ca -0.00 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.55 2jxm h ALA 138 Cb 0.36 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2jxm h ALA 138 CO 0.02 0.06 -1.00 1.79 0.00 0.00 0.00 179.25 180.12 2jxm h THR 139 N 0.47 1.37 -3.57 0.00 1.35 -1.85 -3.44 112.91 107.24 2jxm h THR 139 Ca 0.13 -2.44 -0.67 0.00 -0.55 0.00 0.00 66.41 62.88 2jxm h THR 139 Cb 0.14 2.46 -0.27 0.00 -1.73 0.00 0.00 68.15 68.75 2jxm h THR 139 CO -0.01 0.73 -0.65 -0.62 -0.25 0.00 0.00 175.52 174.72 2jxm s ASP 140 N -7.15 4.91 0.27 5.36 -1.08 0.92 -4.96 116.67 114.94 2jxm s ASP 140 Ca -0.07 -0.61 0.00 0.00 -0.52 0.00 0.00 52.55 51.35 2jxm s ASP 140 Cb 0.08 -1.84 0.39 0.00 -1.46 0.00 0.00 42.92 40.09 2jxm s ASP 140 CO 0.88 -0.14 1.75 0.00 0.52 0.00 0.00 175.17 178.19 2jxm h ALA 141 N 8.19 1.12 -0.14 3.66 0.00 -1.86 -3.06 119.26 127.17 2jxm h ALA 141 Ca -0.34 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 2jxm h ALA 141 Cb 1.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2jxm h ALA 141 CO 0.60 0.55 0.04 0.78 0.00 0.00 0.00 179.25 181.21 2jxm h GLY 142 N 0.96 0.21 -4.20 0.00 0.00 -1.93 -3.42 103.07 94.69 2jxm h GLY 142 Ca 0.11 -0.09 -0.67 0.00 0.00 0.00 0.00 47.33 46.68 2jxm h GLY 142 CO 0.03 0.09 -0.77 -1.34 0.00 0.00 0.00 176.54 174.54 2jxm s VAL 143 N -5.09 3.07 0.27 4.60 -7.23 -1.16 -5.05 120.40 109.81 2jxm s VAL 143 Ca -0.06 -1.38 0.04 0.00 -1.81 0.00 0.00 61.98 58.78 2jxm s VAL 143 Cb 0.17 -2.42 -0.06 0.00 0.56 0.00 0.00 36.38 34.63 2jxm s VAL 143 CO 0.70 0.12 0.00 -0.31 -0.31 0.00 0.00 175.10 175.31 2jxm s TYR 144 N -1.16 1.76 0.46 2.82 1.51 -1.26 -4.48 117.35 116.99 2jxm s TYR 144 Ca 0.19 -0.89 -0.21 0.00 -1.01 0.00 0.00 57.07 55.15 2jxm s TYR 144 Cb -0.11 -1.05 -0.09 0.00 -0.11 0.00 0.00 41.96 40.60 2jxm s TYR 144 CO 0.11 0.03 1.03 -0.06 -1.11 0.00 0.00 175.55 175.56 2jxm s PHE 145 N -3.31 3.10 -5.00 2.71 0.08 -1.26 -4.96 117.98 109.35 2jxm s PHE 145 Ca 0.31 1.60 0.00 0.00 0.12 0.00 0.00 56.93 58.96 2jxm s PHE 145 Cb 0.06 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.45 2jxm s PHE 145 CO 0.11 -0.70 0.00 0.41 -0.10 0.00 0.00 175.22 174.94 2jxm n GLY 146 N -0.13 -1.90 3.82 4.36 0.00 -0.98 -4.98 105.19 105.38 2jxm n GLY 146 Ca 0.08 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 2jxm n GLY 146 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jxm s LYS 147 N -1.98 3.90 0.15 1.61 2.20 -1.26 -0.08 119.74 124.29 2jxm s LYS 147 Ca 0.00 0.24 0.03 0.00 -0.36 0.00 0.00 55.97 55.88 2jxm s LYS 147 Cb 0.00 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 2jxm s LYS 147 CO 0.00 0.60 -0.07 0.71 -0.36 0.00 0.00 175.35 176.23 2jxm s TYR 148 N -0.68 1.20 0.05 4.03 2.02 0.91 -4.96 117.35 119.92 2jxm s TYR 148 Ca 0.21 -0.85 0.03 0.00 -0.37 0.00 0.00 57.07 56.08 2jxm s TYR 148 Cb -0.15 -0.65 -0.04 0.00 -0.40 0.00 0.00 41.96 40.73 2jxm s TYR 148 CO 0.09 -0.03 0.04 -1.12 -1.57 0.00 0.00 175.55 172.96 2jxm s SER 149 N -3.15 5.30 -0.05 2.29 0.01 -1.26 -0.50 113.70 116.34 2jxm s SER 149 Ca 0.18 -0.03 0.06 0.00 1.31 0.00 0.00 55.95 57.47 2jxm s SER 149 Cb 0.04 -1.39 -0.01 0.00 0.21 0.00 0.00 66.02 64.87 2jxm s SER 149 CO 0.01 0.22 -0.23 -0.63 0.41 0.00 0.00 173.24 173.01 2jxm s ILE 150 N -1.26 1.87 -0.10 1.44 1.01 0.66 -4.32 121.20 120.49 2jxm s ILE 150 Ca 0.25 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.95 2jxm s ILE 150 Cb -0.12 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 2jxm s ILE 150 CO 0.17 0.52 -0.18 -1.00 0.00 0.00 0.00 174.94 174.45 2jxm s HIS 151 N -0.20 2.66 -0.05 3.97 3.76 -0.46 -1.72 115.29 123.26 2jxm s HIS 151 Ca -0.01 -0.71 0.05 0.00 -0.15 0.00 0.00 55.06 54.25 2jxm s HIS 151 Cb -0.12 -1.74 -0.02 0.00 1.11 0.00 0.00 32.58 31.81 2jxm s HIS 151 CO 0.02 -0.22 -0.20 -1.17 -0.85 0.00 0.00 174.74 172.33 2jxm s LEU 152 N 0.11 2.40 -0.12 0.89 2.96 0.10 -0.02 118.68 125.00 2jxm s LEU 152 Ca -0.09 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 2jxm s LEU 152 Cb -0.15 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.10 2jxm s LEU 152 CO 0.06 0.31 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.46 2jxm s GLY 153 N -0.51 0.92 -0.02 7.98 0.00 -0.48 -1.64 107.32 113.57 2jxm s GLY 153 Ca 0.07 -0.64 0.02 0.00 0.00 0.00 0.00 44.72 44.17 2jxm s GLY 153 CO 0.01 0.60 -0.07 -0.32 0.00 0.00 0.00 173.10 173.31 2jxm s GLY 154 N 1.45 0.41 0.10 0.20 0.00 -0.04 -0.55 107.32 108.90 2jxm s GLY 154 Ca 0.01 -0.27 0.05 0.00 0.00 0.00 0.00 44.72 44.51 2jxm s GLY 154 CO -0.07 -0.11 -0.12 0.21 0.00 0.00 0.00 173.10 173.01 2jxm s ASN 155 N 0.08 1.66 0.00 1.64 3.84 -0.06 -1.10 114.94 120.99 2jxm s ASN 155 Ca -0.01 -0.78 0.00 0.00 0.21 0.00 0.00 52.86 52.29 2jxm s ASN 155 Cb -0.06 -0.03 -0.00 0.00 -0.55 0.00 0.00 41.25 40.61 2jxm s ASN 155 CO -0.00 -0.19 -0.00 0.00 -2.79 0.00 0.00 177.10 174.11 2jxm s ARG 156 N -2.56 0.04 0.00 0.43 3.03 -0.73 -1.58 118.95 117.57 2jxm s ARG 156 Ca 0.05 -0.04 0.00 0.00 2.03 0.00 0.00 55.73 57.78 2jxm s ARG 156 Cb -0.05 -0.02 0.00 0.00 -1.03 0.00 0.00 34.95 33.85 2jxm s ARG 156 CO 0.01 0.00 0.00 0.41 -1.13 0.00 0.00 175.30 174.60 2jxm n GLY 157 N 3.01 -0.00 3.77 3.88 0.00 -0.55 -1.41 105.19 113.89 2jxm n GLY 157 Ca -0.13 -1.67 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 2jxm n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jxm s ARG 158 N -3.13 3.98 0.71 1.61 0.52 -1.26 -4.81 118.95 116.56 2jxm s ARG 158 Ca 0.00 1.69 -0.11 0.00 -0.52 0.00 0.00 55.73 56.79 2jxm s ARG 158 Cb 0.00 -2.52 0.02 0.00 0.52 0.00 0.00 34.95 32.97 2jxm s ARG 158 CO 0.00 -0.35 1.10 0.20 0.02 0.00 0.00 175.30 176.28 2jxm s GLY 159 N -1.38 1.63 0.07 -3.53 0.00 -1.26 -4.90 107.32 97.95 2jxm s GLY 159 Ca 0.60 -0.37 -0.02 0.00 0.00 0.00 0.00 44.72 44.93 2jxm s GLY 159 CO 0.33 0.01 1.12 1.46 0.00 0.00 0.00 173.10 176.02 2jxm h GLN 160 N -0.68 0.22 -5.43 2.90 7.50 -1.55 -3.42 115.11 114.65 2jxm h GLN 160 Ca -0.45 -0.38 -0.42 0.00 0.50 0.00 0.00 58.65 57.91 2jxm h GLN 160 Cb 1.26 0.14 -0.16 0.00 0.05 0.00 0.00 27.48 28.77 2jxm h GLN 160 CO 0.64 1.16 -0.74 0.54 -1.50 0.00 0.00 178.83 178.92 2jxm s VAL 161 N -2.66 1.48 0.29 -0.54 0.11 -1.21 -0.06 120.40 117.81 2jxm s VAL 161 Ca -0.04 -1.99 0.08 0.00 -2.93 0.00 0.00 61.98 57.10 2jxm s VAL 161 Cb 0.07 -1.81 -0.04 0.00 -1.53 0.00 0.00 36.38 33.08 2jxm s VAL 161 CO 0.87 -0.55 0.17 -0.31 -3.33 0.00 0.00 175.10 171.95 2jxm s TYR 162 N -2.70 2.91 -0.18 1.54 2.02 -0.33 -4.85 117.35 115.75 2jxm s TYR 162 Ca 0.16 -0.23 0.25 0.00 -0.37 0.00 0.00 57.07 56.88 2jxm s TYR 162 Cb -0.02 -1.49 1.25 0.00 -0.40 0.00 0.00 41.96 41.30 2jxm s TYR 162 CO 0.04 0.43 1.76 -1.00 -1.57 0.00 0.00 175.55 175.21 2jxm h PRO 163 N 1.53 0.00 -0.34 -1.71 0.13 -1.98 0.67 132.00 130.30 2jxm h PRO 163 Ca -0.46 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 2jxm h PRO 163 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2jxm h PRO 163 CO 0.60 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.33 2jxm h THR 164 N 0.00 1.21 0.00 1.56 1.03 -2.03 -3.46 112.91 111.22 2jxm h THR 164 Ca 0.00 -0.90 0.00 0.00 -0.01 0.00 0.00 66.41 65.50 2jxm h THR 164 Cb 0.13 1.01 0.00 0.00 -1.07 0.00 0.00 68.15 68.22 2jxm h THR 164 CO 0.00 0.30 0.00 0.61 -0.01 0.00 0.00 175.52 176.42 2jxm n GLY 165 N -0.76 0.44 3.87 2.99 0.00 0.23 -5.08 105.19 106.89 2jxm n GLY 165 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2jxm n GLY 165 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jxm s GLU 166 N -0.73 3.81 0.43 1.61 2.02 -1.26 -4.73 118.70 119.84 2jxm s GLU 166 Ca 0.00 0.43 -0.22 0.00 0.02 0.00 0.00 54.97 55.20 2jxm s GLU 166 Cb 0.00 -2.46 -0.10 0.00 0.10 0.00 0.00 34.13 31.67 2jxm s GLU 166 CO 0.00 0.07 0.99 -0.51 0.02 0.00 0.00 175.26 175.83 2jxm s LEU 167 N -3.54 4.01 0.79 1.80 2.01 -1.26 -1.19 118.68 121.29 2jxm s LEU 167 Ca 0.50 1.84 -0.05 0.00 0.01 0.00 0.00 54.13 56.43 2jxm s LEU 167 Cb -0.10 -4.41 0.14 0.00 0.01 0.00 0.00 46.19 41.83 2jxm s LEU 167 CO 0.27 -0.46 1.08 -0.94 1.01 0.00 0.00 176.35 177.31 2jxm s SER 168 N -1.93 4.04 0.19 2.29 1.04 0.92 -4.88 113.70 115.37 2jxm s SER 168 Ca 0.61 -0.14 0.24 0.00 0.48 0.00 0.00 55.95 57.15 2jxm s SER 168 Cb -0.15 -0.17 0.91 0.00 0.10 0.00 0.00 66.02 66.71 2jxm s SER 168 CO 0.19 -2.08 1.74 -0.46 0.98 0.00 0.00 173.24 173.60 2jxm n ASN 169 N -3.09 0.60 -3.60 7.02 0.23 -1.26 -3.86 115.26 111.31 2jxm n ASN 169 Ca 0.15 0.60 -0.41 0.00 -0.53 0.00 0.00 54.58 54.39 2jxm n ASN 169 Cb 0.60 -0.75 0.01 0.00 -2.08 0.00 0.00 39.78 37.57 2jxm n ASN 169 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2jxm n ASN 170 N -2.11 7.55 -3.75 0.53 4.05 -1.26 -4.06 115.26 116.21 2jxm n ASN 170 Ca 0.04 -3.50 -0.09 0.00 0.45 0.00 0.00 54.58 51.48 2jxm n ASN 170 Cb 0.32 -1.24 -0.03 0.00 1.23 0.00 0.00 39.78 40.06 2jxm n ASN 170 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 2jxm s ASN 171 N -0.76 -0.30 0.29 1.20 2.47 -1.25 -4.47 114.94 112.12 2jxm s ASN 171 Ca 0.44 -0.48 -0.24 0.00 0.42 0.00 0.00 52.86 53.00 2jxm s ASN 171 Cb 0.18 0.63 -0.09 0.00 -1.45 0.00 0.00 41.25 40.53 2jxm s ASN 171 CO -0.11 -1.15 0.86 0.00 -3.72 0.00 0.00 177.10 172.98 2jxm s ALA 172 N -3.88 3.28 -0.04 1.71 0.00 -1.26 -4.68 121.76 116.89 2jxm s ALA 172 Ca 0.10 0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.49 2jxm s ALA 172 Cb -0.03 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 2jxm s ALA 172 CO -0.00 0.23 -0.18 -0.06 0.00 0.00 0.00 175.76 175.75 2jxm s PHE 173 N -1.59 2.59 0.21 0.00 0.40 -1.26 -5.03 117.98 113.30 2jxm s PHE 173 Ca 0.48 -0.27 0.11 0.00 -0.60 0.00 0.00 56.93 56.64 2jxm s PHE 173 Cb -0.18 -1.60 -0.05 0.00 0.51 0.00 0.00 43.02 41.71 2jxm s PHE 173 CO 0.23 0.10 -0.22 -1.54 0.70 0.00 0.00 175.22 174.48 2jxm s SER 174 N -0.64 3.37 0.11 1.36 1.04 -1.26 -1.05 113.70 116.63 2jxm s SER 174 Ca 0.10 -0.92 -0.31 0.00 0.48 0.00 0.00 55.95 55.30 2jxm s SER 174 Cb -0.11 -0.25 -0.09 0.00 0.10 0.00 0.00 66.02 65.67 2jxm s SER 174 CO 0.00 0.07 1.61 0.00 0.98 0.00 0.00 173.24 175.91 2jxm s ALA 175 N -1.98 3.72 0.26 5.32 0.00 0.77 -4.83 121.76 125.02 2jxm s ALA 175 Ca 0.23 1.27 0.17 0.00 0.00 0.00 0.00 51.96 53.63 2jxm s ALA 175 Cb -0.07 -3.66 0.73 0.00 0.00 0.00 0.00 23.12 20.12 2jxm s ALA 175 CO 0.11 -0.96 1.77 0.77 0.00 0.00 0.00 175.76 177.45 2jxm h SER 176 N 7.67 0.00 -5.10 0.00 0.02 -1.91 0.48 113.55 114.70 2jxm h SER 176 Ca -0.43 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.47 2jxm h SER 176 Cb 1.20 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.61 2jxm h SER 176 CO 0.92 0.38 -0.14 -0.51 -1.14 0.00 0.00 176.83 176.35 2jxm s ILE 177 N -3.80 0.08 0.39 3.27 2.07 -1.26 -4.72 121.20 117.24 2jxm s ILE 177 Ca -0.01 -0.74 -0.21 0.00 -1.41 0.00 0.00 60.65 58.28 2jxm s ILE 177 Cb 0.12 -1.26 -0.10 0.00 0.13 0.00 0.00 42.46 41.35 2jxm s ILE 177 CO 0.69 -0.37 0.90 0.00 -1.91 0.00 0.00 174.94 174.26 2jxm s ALA 178 N -3.83 3.12 0.00 1.50 0.00 -1.26 -4.38 121.76 116.91 2jxm s ALA 178 Ca 0.04 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2jxm s ALA 178 Cb 0.02 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2jxm s ALA 178 CO -0.11 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.24 2jxm n GLY 179 N -0.40 -0.62 3.51 0.00 0.00 -0.47 -4.27 105.19 102.95 2jxm n GLY 179 Ca 0.05 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 2jxm n GLY 179 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jxm s THR 180 N -3.00 3.06 -0.54 2.61 -4.23 -0.61 -0.65 115.64 112.29 2jxm s THR 180 Ca 0.00 -1.21 -0.22 0.00 -1.18 0.00 0.00 61.69 59.08 2jxm s THR 180 Cb 0.00 -2.35 0.05 0.00 1.34 0.00 0.00 72.50 71.53 2jxm s THR 180 CO 0.00 0.25 0.83 -0.63 -0.54 0.00 0.00 174.62 174.53 2jxm s ILE 181 N -1.05 4.55 0.11 2.99 1.01 0.24 0.04 121.20 129.10 2jxm s ILE 181 Ca 0.17 0.01 -0.14 0.00 0.00 0.00 0.00 60.65 60.69 2jxm s ILE 181 Cb -0.11 -4.46 -0.08 0.00 0.01 0.00 0.00 42.46 37.83 2jxm s ILE 181 CO 0.09 -1.01 1.43 0.00 0.00 0.00 0.00 174.94 175.44 2jxm h ALA 182 N 9.21 0.45 -2.37 9.38 0.00 -1.64 0.78 119.26 135.06 2jxm h ALA 182 Ca -0.27 -0.41 0.13 0.00 0.00 0.00 0.00 54.91 54.37 2jxm h ALA 182 Cb 1.08 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.66 2jxm h ALA 182 CO 1.05 0.48 0.47 0.00 0.00 0.00 0.00 179.25 181.24 2jxm s ALA 183 N -4.37 -1.72 -0.01 0.00 0.00 -1.24 -4.67 121.76 109.75 2jxm s ALA 183 Ca -0.12 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 52.37 2jxm s ALA 183 Cb 0.09 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.77 2jxm s ALA 183 CO 0.84 -0.86 0.04 0.96 0.00 0.00 0.00 175.76 176.73 2jxm s ILE 184 N -3.25 -0.00 0.22 0.00 -4.36 -1.26 -1.09 121.20 111.45 2jxm s ILE 184 Ca 0.08 0.01 0.09 0.00 -0.26 0.00 0.00 60.65 60.58 2jxm s ILE 184 Cb -0.01 -0.06 -0.04 0.00 1.25 0.00 0.00 42.46 43.59 2jxm s ILE 184 CO -0.04 0.00 -0.07 -1.61 0.24 0.00 0.00 174.94 173.46 2jxm s GLU 185 N 0.08 2.10 -0.21 0.37 2.02 -1.00 -5.01 118.70 117.05 2jxm s GLU 185 Ca -0.01 -1.38 -0.05 0.00 0.02 0.00 0.00 54.97 53.56 2jxm s GLU 185 Cb -0.01 -2.11 0.11 0.00 0.10 0.00 0.00 34.13 32.22 2jxm s GLU 185 CO -0.00 0.40 0.38 -0.51 0.02 0.00 0.00 175.26 175.55 2jxm s ASP 186 N -3.22 0.06 -0.37 -0.19 1.01 -1.25 -3.16 116.67 109.54 2jxm s ASP 186 Ca 0.28 0.57 0.05 0.00 0.71 0.00 0.00 52.55 54.16 2jxm s ASP 186 Cb -0.07 1.17 0.46 0.00 1.01 0.00 0.00 42.92 45.48 2jxm s ASP 186 CO 0.17 -0.27 1.36 0.59 0.21 0.00 0.00 175.17 177.23 2jxm n ASN 187 N 5.37 5.48 0.00 0.27 4.13 -1.26 -4.79 115.26 124.46 2jxm n ASN 187 Ca -0.06 -3.76 0.00 0.00 1.68 0.00 0.00 54.58 52.44 2jxm n ASN 187 Cb 0.50 -0.47 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 2jxm n ASN 187 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jxm n GLY 188 N -0.75 2.28 3.76 7.41 0.00 -1.26 -4.88 105.19 111.75 2jxm n GLY 188 Ca 0.48 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2jxm n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jxm s PHE 189 N -0.29 3.71 -0.51 1.61 0.40 -1.26 -3.97 117.98 117.67 2jxm s PHE 189 Ca 0.00 1.79 -0.16 0.00 -0.60 0.00 0.00 56.93 57.96 2jxm s PHE 189 Cb 0.00 -3.09 0.10 0.00 0.51 0.00 0.00 43.02 40.54 2jxm s PHE 189 CO 0.00 -0.06 0.47 0.20 0.70 0.00 0.00 175.22 176.53 2jxm s GLY 190 N -1.22 2.03 0.34 4.36 0.00 -0.30 -3.92 107.32 108.62 2jxm s GLY 190 Ca 0.46 -2.27 0.06 0.00 0.00 0.00 0.00 44.72 42.96 2jxm s GLY 190 CO 0.33 1.17 1.91 0.74 0.00 0.00 0.00 173.10 177.24 2jxm h PHE 191 N 8.85 0.86 -2.04 1.90 0.04 -1.73 -0.12 116.94 124.70 2jxm h PHE 191 Ca -0.29 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.45 2jxm h PHE 191 Cb 1.10 -0.28 -0.20 0.00 2.20 0.00 0.00 35.95 38.77 2jxm h PHE 191 CO 0.69 0.40 0.14 -0.51 -0.60 0.00 0.00 178.31 178.43 2jxm s ASP 192 N -5.98 -0.69 -0.25 2.17 1.11 -1.26 -4.02 116.67 107.75 2jxm s ASP 192 Ca -0.10 1.11 -0.07 0.00 0.18 0.00 0.00 52.55 53.67 2jxm s ASP 192 Cb 0.21 1.05 -0.03 0.00 1.07 0.00 0.00 42.92 45.22 2jxm s ASP 192 CO 0.79 -0.40 0.06 -0.69 1.18 0.00 0.00 175.17 176.11 2jxm s VAL 193 N -0.30 4.24 -0.18 -1.27 1.01 0.03 -2.37 120.40 121.58 2jxm s VAL 193 Ca -0.05 -0.19 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 2jxm s VAL 193 Cb -0.03 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 2jxm s VAL 193 CO 0.05 0.35 0.25 0.28 0.00 0.00 0.00 175.10 176.02 2jxm s THR 194 N 1.58 5.33 -0.05 3.92 -1.32 -0.25 -1.18 115.64 123.67 2jxm s THR 194 Ca 0.06 0.44 0.07 0.00 -1.21 0.00 0.00 61.69 61.05 2jxm s THR 194 Cb -0.15 -3.58 -0.01 0.00 -1.51 0.00 0.00 72.50 67.24 2jxm s THR 194 CO 0.03 0.39 -0.25 -0.63 -2.21 0.00 0.00 174.62 171.95 2jxm s ILE 195 N 0.51 2.05 -0.39 5.08 1.01 0.35 -1.63 121.20 128.18 2jxm s ILE 195 Ca 0.14 -1.08 -0.14 0.00 0.00 0.00 0.00 60.65 59.58 2jxm s ILE 195 Cb -0.12 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.64 2jxm s ILE 195 CO 0.02 0.57 0.26 -1.10 0.00 0.00 0.00 174.94 174.70 2jxm s GLN 196 N -0.29 3.04 1.06 2.79 -0.21 0.11 -0.44 119.66 125.72 2jxm s GLN 196 Ca 0.00 -0.96 -0.15 0.00 0.02 0.00 0.00 55.36 54.28 2jxm s GLN 196 Cb -0.13 -3.88 0.22 0.00 1.00 0.00 0.00 33.01 30.22 2jxm s GLN 196 CO 0.02 -0.67 1.11 -2.14 -2.12 0.00 0.00 175.29 171.49 2jxm s PRO 197 N 1.66 -0.06 0.53 2.91 0.02 -0.22 -1.57 135.00 138.27 2jxm s PRO 197 Ca 0.05 0.26 0.22 0.00 0.02 0.00 0.00 61.00 61.55 2jxm s PRO 197 Cb -0.19 -1.70 1.37 0.00 0.02 0.00 0.00 34.50 34.00 2jxm s PRO 197 CO 0.09 -3.00 2.06 0.93 -0.33 0.00 0.00 177.00 176.74 2jxm h GLU 198 N -2.08 0.00 -1.36 5.54 3.07 -1.87 -2.98 114.58 114.90 2jxm h GLU 198 Ca -0.51 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 57.82 2jxm h GLU 198 Cb 1.32 0.00 -0.42 0.00 -0.84 0.00 0.00 28.75 28.81 2jxm h GLU 198 CO 0.50 0.00 -0.84 -0.40 -1.40 0.00 0.00 179.01 176.87 2jxm n ASP 199 N -4.39 3.97 0.00 1.42 5.68 -1.26 -4.96 116.55 117.01 2jxm n ASP 199 Ca 0.05 -3.48 0.00 0.00 -0.50 0.00 0.00 54.79 50.86 2jxm n ASP 199 Cb 0.41 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 2jxm n ASP 199 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jxm n GLY 200 N -0.40 2.96 3.77 6.12 0.00 -1.13 -5.03 105.19 111.48 2jxm n GLY 200 Ca 0.32 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 2jxm n GLY 200 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jxm s ASP 201 N 0.64 4.62 -0.04 1.61 1.01 -1.26 -4.81 116.67 118.44 2jxm s ASP 201 Ca 0.00 1.84 0.02 0.00 0.71 0.00 0.00 52.55 55.12 2jxm s ASP 201 Cb 0.00 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.42 2jxm s ASP 201 CO 0.00 -1.96 -0.07 0.00 0.21 0.00 0.00 175.17 173.35 2jxm s ALA 202 N -2.82 0.84 0.24 5.23 0.00 -1.26 -1.05 121.76 122.93 2jxm s ALA 202 Ca 0.62 -0.19 0.10 0.00 0.00 0.00 0.00 51.96 52.49 2jxm s ALA 202 Cb -0.18 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 2jxm s ALA 202 CO 0.54 0.06 -0.19 0.54 0.00 0.00 0.00 175.76 176.71 2jxm s VAL 203 N 0.67 2.20 -0.06 0.00 0.11 0.42 -4.94 120.40 118.80 2jxm s VAL 203 Ca -0.11 -2.26 0.02 0.00 -2.93 0.00 0.00 61.98 56.71 2jxm s VAL 203 Cb -0.13 -2.16 0.01 0.00 -1.53 0.00 0.00 36.38 32.56 2jxm s VAL 203 CO 0.01 -0.41 -0.13 0.54 -3.33 0.00 0.00 175.10 171.78 2jxm s VAL 204 N -2.48 1.17 -0.16 2.04 0.11 -1.26 -0.49 120.40 119.33 2jxm s VAL 204 Ca 0.25 -0.51 -0.01 0.00 -2.93 0.00 0.00 61.98 58.78 2jxm s VAL 204 Cb -0.04 -1.06 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 2jxm s VAL 204 CO 0.11 0.36 -0.11 0.28 -3.33 0.00 0.00 175.10 172.41 2jxm s THR 205 N 0.59 3.10 -0.16 5.04 -1.32 -0.32 -4.91 115.64 117.65 2jxm s THR 205 Ca -0.14 -0.63 -0.09 0.00 -1.21 0.00 0.00 61.69 59.63 2jxm s THR 205 Cb -0.15 -2.33 -0.05 0.00 -1.51 0.00 0.00 72.50 68.46 2jxm s THR 205 CO 0.04 0.50 0.16 -0.94 -2.21 0.00 0.00 174.62 172.16 2jxm s SER 206 N 0.67 6.32 -0.00 8.08 1.04 -1.26 -0.79 113.70 127.76 2jxm s SER 206 Ca -0.06 0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.80 2jxm s SER 206 Cb -0.15 -2.09 -0.02 0.00 0.10 0.00 0.00 66.02 63.86 2jxm s SER 206 CO 0.02 0.27 -0.18 -0.63 0.98 0.00 0.00 173.24 173.70 2jxm s ILE 207 N -0.24 1.43 0.68 -1.02 1.01 -0.06 -5.02 121.20 117.98 2jxm s ILE 207 Ca 0.12 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 2jxm s ILE 207 Cb -0.12 -1.21 0.01 0.00 0.01 0.00 0.00 42.46 41.15 2jxm s ILE 207 CO 0.01 0.35 1.06 -0.76 0.00 0.00 0.00 174.94 175.60 2jxm s LEU 208 N -0.57 2.99 0.58 2.97 1.02 -1.26 -1.15 118.68 123.26 2jxm s LEU 208 Ca 0.07 1.09 -0.20 0.00 0.02 0.00 0.00 54.13 55.11 2jxm s LEU 208 Cb -0.07 -3.92 -0.04 0.00 0.02 0.00 0.00 46.19 42.18 2jxm s LEU 208 CO -0.00 -1.24 1.31 -2.16 0.02 0.00 0.00 176.35 174.27 2jxm s PRO 209 N -5.28 2.98 0.00 1.29 0.04 -1.25 -4.05 135.00 128.73 2jxm s PRO 209 Ca 0.57 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2jxm s PRO 209 Cb -0.11 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2jxm s PRO 209 CO 0.51 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.69 2jxm n GLY 210 N 0.73 2.98 3.78 0.56 0.00 -1.26 -4.57 105.19 107.41 2jxm n GLY 210 Ca 0.12 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 2jxm n GLY 210 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jxm s PRO 211 N 0.00 3.19 -0.16 1.61 0.02 -1.26 -4.93 135.00 133.47 2jxm s PRO 211 Ca 0.00 1.43 -0.06 0.00 0.02 0.00 0.00 61.00 62.39 2jxm s PRO 211 Cb 0.00 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 2jxm s PRO 211 CO 0.00 -0.95 0.02 -1.83 -0.33 0.00 0.00 177.00 173.91 2jxm s GLU 212 N -3.73 3.76 0.05 5.54 -1.05 -1.26 -4.94 118.70 117.07 2jxm s GLU 212 Ca 0.68 -0.41 -0.31 0.00 -0.15 0.00 0.00 54.97 54.79 2jxm s GLU 212 Cb -0.20 -3.07 -0.07 0.00 -0.44 0.00 0.00 34.13 30.35 2jxm s GLU 212 CO 0.33 0.32 1.46 -0.51 0.95 0.00 0.00 175.26 177.81 2jxm s LEU 213 N 0.20 4.34 0.12 1.83 1.43 -1.26 -0.77 118.68 124.58 2jxm s LEU 213 Ca 0.02 2.27 0.05 0.00 -1.03 0.00 0.00 54.13 55.44 2jxm s LEU 213 Cb -0.13 -3.57 -0.19 0.00 0.03 0.00 0.00 46.19 42.34 2jxm s LEU 213 CO 0.01 -0.74 1.28 0.40 0.23 0.00 0.00 176.35 177.54 2jxm h ILE 214 N 4.68 1.67 -1.95 -0.59 1.08 -1.38 -3.46 117.51 117.56 2jxm h ILE 214 Ca -0.40 -3.29 -0.48 0.00 -0.39 0.00 0.00 64.86 60.30 2jxm h ILE 214 Cb 1.19 2.82 -0.03 0.00 -3.07 0.00 0.00 36.82 37.73 2jxm h ILE 214 CO 0.90 0.94 -0.44 0.68 -0.69 0.00 0.00 178.15 179.55 2jxm s VAL 215 N -2.76 4.08 0.19 1.67 -7.23 -1.24 -5.04 120.40 110.07 2jxm s VAL 215 Ca 0.00 -1.24 0.07 0.00 -1.81 0.00 0.00 61.98 59.00 2jxm s VAL 215 Cb 0.10 -3.37 -0.05 0.00 0.56 0.00 0.00 36.38 33.62 2jxm s VAL 215 CO 0.83 -0.23 -0.13 0.00 -0.31 0.00 0.00 175.10 175.26 2jxm s ALA 216 N -2.19 1.86 0.45 1.32 0.00 -1.26 -5.09 121.76 116.84 2jxm s ALA 216 Ca 0.39 -1.62 -0.24 0.00 0.00 0.00 0.00 51.96 50.49 2jxm s ALA 216 Cb -0.08 -0.04 -0.08 0.00 0.00 0.00 0.00 23.12 22.92 2jxm s ALA 216 CO 0.28 0.02 1.29 0.08 0.00 0.00 0.00 175.76 177.43 2jxm s VAL 217 N -3.07 2.57 0.00 0.00 1.01 -1.26 -1.99 120.40 117.66 2jxm s VAL 217 Ca 0.21 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.67 2jxm s VAL 217 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2jxm s VAL 217 CO 0.05 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.80 2jxm n GLY 218 N 0.63 0.75 3.88 4.51 0.00 0.27 -4.99 105.19 110.24 2jxm n GLY 218 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2jxm n GLY 218 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jxm s ASP 219 N -2.47 6.44 0.19 1.61 2.15 -0.84 -4.77 116.67 118.98 2jxm s ASP 219 Ca 0.00 0.49 -0.13 0.00 0.43 0.00 0.00 52.55 53.34 2jxm s ASP 219 Cb 0.00 -2.07 -0.07 0.00 -0.30 0.00 0.00 42.92 40.48 2jxm s ASP 219 CO 0.00 0.33 0.57 -0.89 -0.17 0.00 0.00 175.17 175.01 2jxm s THR 220 N -1.18 4.85 0.01 1.71 2.01 -1.26 -0.59 115.64 121.19 2jxm s THR 220 Ca 0.22 0.76 -0.01 0.00 0.31 0.00 0.00 61.69 62.96 2jxm s THR 220 Cb -0.13 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 2jxm s THR 220 CO 0.11 0.11 0.01 0.54 -0.69 0.00 0.00 174.62 174.70 2jxm s VAL 221 N -1.62 0.06 0.50 3.82 0.11 0.18 -4.97 120.40 118.49 2jxm s VAL 221 Ca 0.42 -0.53 -0.05 0.00 -2.93 0.00 0.00 61.98 58.90 2jxm s VAL 221 Cb -0.14 -0.19 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 2jxm s VAL 221 CO 0.20 -0.29 0.80 -0.70 -3.33 0.00 0.00 175.10 171.77 2jxm s GLU 222 N -0.87 3.39 0.29 1.54 2.12 -1.26 -1.36 118.70 122.55 2jxm s GLU 222 Ca -0.10 0.11 -0.29 0.00 0.36 0.00 0.00 54.97 55.05 2jxm s GLU 222 Cb -0.06 -2.37 -0.10 0.00 0.26 0.00 0.00 34.13 31.86 2jxm s GLU 222 CO -0.00 -0.30 1.35 0.00 -0.54 0.00 0.00 175.26 175.77 2jxm s ALA 223 N -2.77 3.54 0.00 6.30 0.00 -1.26 -1.71 121.76 125.85 2jxm s ALA 223 Ca 0.49 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.71 2jxm s ALA 223 Cb -0.10 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2jxm s ALA 223 CO 0.44 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2jxm n GLY 224 N 1.42 1.49 3.80 0.00 0.00 0.17 -4.92 105.19 107.15 2jxm n GLY 224 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2jxm n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jxm s GLN 225 N -0.20 3.12 -0.07 1.61 -0.21 -0.69 -4.45 119.66 118.76 2jxm s GLN 225 Ca 0.00 1.17 -0.30 0.00 0.02 0.00 0.00 55.36 56.26 2jxm s GLN 225 Cb 0.00 -2.01 -0.02 0.00 1.00 0.00 0.00 33.01 31.98 2jxm s GLN 225 CO 0.00 -0.97 1.12 -0.51 -2.12 0.00 0.00 175.29 172.81 2jxm s LEU 226 N -4.84 4.27 0.17 2.90 1.02 -1.26 -0.16 118.68 120.78 2jxm s LEU 226 Ca 0.63 1.71 0.10 0.00 0.02 0.00 0.00 54.13 56.58 2jxm s LEU 226 Cb -0.16 -3.56 -0.11 0.00 0.02 0.00 0.00 46.19 42.38 2jxm s LEU 226 CO 0.42 -0.53 1.34 -0.07 0.02 0.00 0.00 176.35 177.53 2jxm h LEU 227 N 8.10 0.00 -8.79 1.79 3.38 -1.42 -3.45 115.31 114.91 2jxm h LEU 227 Ca -0.33 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.32 2jxm h LEU 227 Cb 1.16 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.76 2jxm h LEU 227 CO 0.87 0.83 -0.61 0.28 0.09 0.00 0.00 178.44 179.90 2jxm s THR 228 N -2.80 0.35 0.42 0.22 -1.32 -1.21 -1.03 115.64 110.27 2jxm s THR 228 Ca 0.02 -2.00 -0.07 0.00 -1.21 0.00 0.00 61.69 58.43 2jxm s THR 228 Cb 0.09 -2.58 0.10 0.00 -1.51 0.00 0.00 72.50 68.59 2jxm s THR 228 CO 0.79 0.00 0.57 1.07 -2.21 0.00 0.00 174.62 174.85 2jxm n THR 229 N -0.41 0.00 -3.60 5.08 5.66 0.05 -4.68 114.28 116.38 2jxm n THR 229 Ca 0.01 -0.44 -0.40 0.00 -3.05 0.00 0.00 64.05 60.16 2jxm n THR 229 Cb 0.66 -1.75 -0.11 0.00 -1.55 0.00 0.00 70.33 67.58 2jxm n THR 229 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2jxm s ASN 230 N -3.11 5.69 0.10 1.09 3.84 -1.26 -4.40 114.94 116.89 2jxm s ASN 230 Ca 0.33 -1.16 0.22 0.00 0.21 0.00 0.00 52.86 52.45 2jxm s ASN 230 Cb -0.01 -2.01 0.87 0.00 -0.55 0.00 0.00 41.25 39.56 2jxm s ASN 230 CO 0.23 -0.43 1.67 -0.81 -2.79 0.00 0.00 177.10 174.97 2jxm n PRO 231 N 4.97 0.09 -1.66 0.43 -0.04 -1.26 -4.85 135.00 132.67 2jxm n PRO 231 Ca -0.11 0.24 -0.43 0.00 -0.04 0.00 0.00 63.50 63.16 2jxm n PRO 231 Cb 0.45 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.24 2jxm n PRO 231 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2jxm n ASN 232 N -1.80 4.07 0.02 3.54 5.15 -1.26 -4.68 115.26 120.29 2jxm n ASN 232 Ca 0.04 0.88 0.05 0.00 -0.60 0.00 0.00 54.58 54.94 2jxm n ASN 232 Cb 0.26 -1.51 -0.10 0.00 -0.53 0.00 0.00 39.78 37.90 2jxm n ASN 232 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 2jxm n VAL 233 N 5.62 0.74 -1.92 3.44 0.24 -1.26 -5.04 118.33 120.14 2jxm n VAL 233 Ca 0.21 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 2jxm n VAL 233 Cb 0.40 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2jxm n VAL 233 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jxm n GLY 234 N 1.35 2.94 0.00 7.63 0.00 -1.26 -4.98 105.19 110.87 2jxm n GLY 234 Ca -0.09 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2jxm n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jxm n GLY 235 N 5.00 1.06 3.21 -0.02 0.00 -0.50 -4.74 105.19 109.21 2jxm n GLY 235 Ca 0.00 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 2jxm n GLY 235 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jxm s PHE 236 N -2.00 1.88 0.12 1.61 5.36 0.86 -1.78 117.98 124.03 2jxm s PHE 236 Ca 0.00 -0.39 -0.02 0.00 -0.96 0.00 0.00 56.93 55.56 2jxm s PHE 236 Cb 0.00 -1.22 -0.04 0.00 -0.34 0.00 0.00 43.02 41.42 2jxm s PHE 236 CO 0.00 -0.06 0.07 0.20 -1.46 0.00 0.00 175.22 173.97 2jxm s GLY 237 N -0.41 0.79 0.07 13.12 0.00 -0.26 -2.39 107.32 118.24 2jxm s GLY 237 Ca 0.06 -1.32 0.04 0.00 0.00 0.00 0.00 44.72 43.50 2jxm s GLY 237 CO -0.00 -1.28 -0.11 1.20 0.00 0.00 0.00 173.10 172.91 2jxm s GLN 238 N -4.01 0.72 -0.10 2.90 -0.21 -1.26 -0.86 119.66 116.85 2jxm s GLN 238 Ca 0.19 -0.92 -0.17 0.00 0.02 0.00 0.00 55.36 54.48 2jxm s GLN 238 Cb 0.07 -0.60 0.04 0.00 1.00 0.00 0.00 33.01 33.52 2jxm s GLN 238 CO -0.01 0.12 0.42 1.41 -2.12 0.00 0.00 175.29 175.11 2jxm s MET 239 N -1.86 0.64 0.13 2.91 1.75 -0.65 -4.67 119.30 117.55 2jxm s MET 239 Ca -0.04 0.29 0.08 0.00 -1.25 0.00 0.00 55.69 54.78 2jxm s MET 239 Cb -0.09 0.30 -0.04 0.00 2.84 0.00 0.00 34.83 37.84 2jxm s MET 239 CO 0.01 -0.14 -0.14 -0.51 -0.65 0.00 0.00 175.02 173.60 2jxm s ASP 240 N -0.49 4.13 0.19 1.11 1.01 -1.26 -0.72 116.67 120.64 2jxm s ASP 240 Ca -0.06 -0.52 -0.06 0.00 0.71 0.00 0.00 52.55 52.63 2jxm s ASP 240 Cb -0.03 -0.67 -0.02 0.00 1.01 0.00 0.00 42.92 43.20 2jxm s ASP 240 CO 0.03 0.16 0.24 -0.94 0.21 0.00 0.00 175.17 174.87 2jxm s SER 241 N -2.34 0.09 0.13 0.27 1.04 -0.70 -4.98 113.70 107.21 2jxm s SER 241 Ca 0.21 -1.13 0.07 0.00 0.48 0.00 0.00 55.95 55.58 2jxm s SER 241 Cb -0.10 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 2jxm s SER 241 CO 0.12 -0.91 -0.17 -1.61 0.98 0.00 0.00 173.24 171.65 2jxm s GLU 242 N -4.07 1.14 0.01 4.02 2.02 -1.26 -0.25 118.70 120.31 2jxm s GLU 242 Ca 0.28 -1.27 -0.01 0.00 0.02 0.00 0.00 54.97 53.99 2jxm s GLU 242 Cb 0.04 -1.19 -0.01 0.00 0.10 0.00 0.00 34.13 33.07 2jxm s GLU 242 CO 0.07 0.25 0.01 -1.50 0.02 0.00 0.00 175.26 174.11 2jxm s ILE 243 N -1.80 0.08 -0.22 -1.63 2.07 0.34 -4.86 121.20 115.19 2jxm s ILE 243 Ca 0.10 -0.70 -0.07 0.00 -1.41 0.00 0.00 60.65 58.57 2jxm s ILE 243 Cb -0.07 -0.25 -0.03 0.00 0.13 0.00 0.00 42.46 42.24 2jxm s ILE 243 CO 0.05 -0.38 0.06 -0.69 -1.91 0.00 0.00 174.94 172.07 2jxm s VAL 244 N -1.16 4.50 -0.47 4.00 1.01 -0.18 -0.06 120.40 128.04 2jxm s VAL 244 Ca -0.13 -0.12 -0.24 0.00 0.00 0.00 0.00 61.98 61.50 2jxm s VAL 244 Cb -0.08 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.26 2jxm s VAL 244 CO -0.00 0.39 0.84 -0.22 0.00 0.00 0.00 175.10 176.11 2jxm s LEU 245 N 1.05 4.18 0.21 3.92 2.96 0.89 -0.90 118.68 130.99 2jxm s LEU 245 Ca 0.04 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 2jxm s LEU 245 Cb -0.14 -3.00 -0.03 0.00 0.50 0.00 0.00 46.19 43.51 2jxm s LEU 245 CO 0.03 -0.99 0.34 -1.58 -1.32 0.00 0.00 176.35 172.83 2jxm s GLN 246 N 3.48 3.44 -0.04 1.98 0.74 0.06 -2.32 119.66 127.00 2jxm s GLN 246 Ca 0.32 -0.69 -0.13 0.00 0.05 0.00 0.00 55.36 54.91 2jxm s GLN 246 Cb -0.12 -2.91 -0.05 0.00 1.10 0.00 0.00 33.01 31.03 2jxm s GLN 246 CO 0.23 0.45 0.34 -1.12 -0.55 0.00 0.00 175.29 174.65 2jxm s SER 247 N -3.72 6.69 0.77 6.67 0.01 -1.26 -3.78 113.70 119.08 2jxm s SER 247 Ca 0.34 0.82 -0.13 0.00 1.31 0.00 0.00 55.95 58.30 2jxm s SER 247 Cb -0.10 -2.21 0.06 0.00 0.21 0.00 0.00 66.02 63.99 2jxm s SER 247 CO 0.29 0.32 1.14 -0.94 0.41 0.00 0.00 173.24 174.46 2jxm s SER 248 N -0.91 4.15 0.00 2.44 1.04 -1.26 -5.03 113.70 114.13 2jxm s SER 248 Ca 0.21 2.10 0.00 0.00 0.48 0.00 0.00 55.95 58.74 2jxm s SER 248 Cb -0.15 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.41 2jxm s SER 248 CO 0.11 -2.28 0.00 -1.20 0.98 0.00 0.00 173.24 170.85