#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q20 h ASP 19 N 0.00 0.28 0.74 -3.46 1.82 -2.05 -3.12 116.42 110.63 1q20 h ASP 19 Ca 0.00 -0.83 -0.12 0.00 -0.39 0.00 0.00 57.03 55.69 1q20 h ASP 19 Cb 0.00 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 39.90 1q20 h ASP 19 CO 0.00 1.49 -0.59 -0.29 -1.61 0.00 0.00 179.24 178.24 1q20 h ILE 20 N -0.52 1.30 -0.41 2.25 2.10 -2.05 -2.77 117.51 117.41 1q20 h ILE 20 Ca -0.25 -2.09 -0.14 0.00 1.08 0.00 0.00 64.86 63.47 1q20 h ILE 20 Cb 1.57 2.16 -0.01 0.00 -1.09 0.00 0.00 36.82 39.45 1q20 h ILE 20 CO 0.02 0.57 -0.29 -1.28 -1.08 0.00 0.00 178.15 176.10 1q20 h SER 21 N 0.00 0.93 -0.19 2.19 0.87 -2.00 -1.03 113.55 114.32 1q20 h SER 21 Ca -0.01 -0.38 -0.07 0.00 -1.23 0.00 0.00 61.79 60.11 1q20 h SER 21 Cb 1.11 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1q20 h SER 21 CO 0.08 1.15 -0.15 -0.33 -0.53 0.00 0.00 176.83 177.04 1q20 h GLU 22 N 0.76 0.44 -0.07 2.24 3.07 -1.50 -2.84 114.58 116.67 1q20 h GLU 22 Ca 0.09 -0.22 0.01 0.00 -0.50 0.00 0.00 59.36 58.74 1q20 h GLU 22 Cb 0.85 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 1q20 h GLU 22 CO 0.08 0.77 0.01 0.82 -1.40 0.00 0.00 179.01 179.29 1q20 h ILE 23 N 0.12 0.96 -0.80 3.13 2.04 -1.45 -2.72 117.51 118.80 1q20 h ILE 23 Ca 0.04 -0.01 0.10 0.00 1.00 0.00 0.00 64.86 65.98 1q20 h ILE 23 Cb 0.67 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 1q20 h ILE 23 CO 0.04 0.01 0.52 0.28 0.00 0.00 0.00 178.15 179.00 1q20 h SER 24 N 0.04 0.65 1.06 1.72 0.02 -1.20 -0.89 113.55 114.94 1q20 h SER 24 Ca 0.03 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1q20 h SER 24 Cb 0.03 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1q20 h SER 24 CO -0.05 0.38 0.00 0.00 -1.14 0.00 0.00 176.83 176.02 1q20 n GLN 25 N -4.51 0.17 0.00 3.45 6.02 -1.04 -2.95 117.38 118.52 1q20 n GLN 25 Ca 0.13 0.25 0.12 0.00 -0.01 0.00 0.00 57.00 57.49 1q20 n GLN 25 Cb 0.34 -1.74 0.07 0.00 1.02 0.00 0.00 30.24 29.92 1q20 n GLN 25 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1q20 n LYS 26 N -2.05 1.91 -1.68 -1.09 5.02 -0.36 -4.96 118.16 114.96 1q20 n LYS 26 Ca 0.04 -1.58 -0.42 0.00 -2.02 0.00 0.00 58.31 54.33 1q20 n LYS 26 Cb 0.32 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 1q20 n LYS 26 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1q20 n LEU 27 N 0.84 4.11 0.18 -0.35 4.77 -1.10 -4.89 117.00 120.56 1q20 n LEU 27 Ca 0.12 0.95 0.07 0.00 -0.03 0.00 0.00 56.01 57.12 1q20 n LEU 27 Cb 0.55 -1.54 0.13 0.00 -2.33 0.00 0.00 43.42 40.23 1q20 n LEU 27 CO 0.20 0.19 0.64 -0.65 -1.33 0.00 0.00 177.39 176.44 1q20 h PRO 28 N 9.46 0.00 -2.97 3.23 0.11 -1.83 -3.48 132.00 136.52 1q20 h PRO 28 Ca -0.48 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 1q20 h PRO 28 Cb 1.23 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.39 1q20 h PRO 28 CO 0.95 0.28 -0.25 0.41 -0.21 0.00 0.00 178.00 179.18 1q20 n GLY 29 N 1.07 0.29 3.40 -0.55 0.00 -1.25 -4.95 105.19 103.20 1q20 n GLY 29 Ca 0.03 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 1q20 n GLY 29 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q20 s GLU 30 N -4.88 1.83 0.27 1.61 2.02 -1.25 -3.44 118.70 114.86 1q20 s GLU 30 Ca 0.08 -2.09 0.08 0.00 0.02 0.00 0.00 54.97 53.07 1q20 s GLU 30 Cb -0.04 -0.15 -0.05 0.00 0.10 0.00 0.00 34.13 33.99 1q20 s GLU 30 CO 0.25 -0.56 -0.10 0.71 0.02 0.00 0.00 175.26 175.57 1q20 s TYR 31 N -3.35 2.00 0.12 1.61 2.02 -1.26 -0.57 117.35 117.92 1q20 s TYR 31 Ca 0.32 -0.59 -0.06 0.00 -0.37 0.00 0.00 57.07 56.37 1q20 s TYR 31 Cb 0.02 -1.05 -0.02 0.00 -0.40 0.00 0.00 41.96 40.51 1q20 s TYR 31 CO 0.20 0.40 0.17 -0.59 -1.57 0.00 0.00 175.55 174.17 1q20 s PHE 32 N -2.87 0.45 -0.04 2.71 -0.12 -0.43 -4.80 117.98 112.86 1q20 s PHE 32 Ca 0.28 -0.86 0.05 0.00 -0.05 0.00 0.00 56.93 56.35 1q20 s PHE 32 Cb 0.01 -0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 42.18 1q20 s PHE 32 CO 0.12 -0.58 -0.17 1.03 -0.05 0.00 0.00 175.22 175.56 1q20 s ARG 33 N -3.95 2.39 -0.21 1.99 0.52 -1.26 -0.36 118.95 118.07 1q20 s ARG 33 Ca 0.14 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.59 1q20 s ARG 33 Cb 0.05 -2.29 0.05 0.00 0.52 0.00 0.00 34.95 33.28 1q20 s ARG 33 CO -0.04 0.61 -0.08 -0.47 0.02 0.00 0.00 175.30 175.34 1q20 s TYR 34 N -0.71 2.32 -1.36 -0.53 5.04 -0.35 -4.75 117.35 117.01 1q20 s TYR 34 Ca 0.11 -1.59 -0.00 0.00 -2.44 0.00 0.00 57.07 53.15 1q20 s TYR 34 Cb -0.10 -1.58 0.00 0.00 0.35 0.00 0.00 41.96 40.63 1q20 s TYR 34 CO 0.00 -0.74 0.56 1.63 -1.34 0.00 0.00 175.55 175.66 1q20 n LYS 35 N 4.70 -4.10 -0.30 4.97 5.02 -1.26 -1.61 118.16 125.59 1q20 n LYS 35 Ca -0.13 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1q20 n LYS 35 Cb 0.46 -4.85 0.00 0.00 -0.02 0.00 0.00 35.03 30.61 1q20 n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q20 n GLY 36 N -1.78 1.89 3.80 0.72 0.00 -1.26 -5.02 105.19 103.54 1q20 n GLY 36 Ca -0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 1q20 n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q20 s VAL 37 N -2.89 5.29 0.02 1.61 1.01 -0.63 -5.01 120.40 119.80 1q20 s VAL 37 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 1q20 s VAL 37 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1q20 s VAL 37 CO 0.00 0.57 1.12 -2.84 0.00 0.00 0.00 175.10 173.94 1q20 s PRO 38 N -0.59 4.46 -0.00 2.72 0.02 -1.26 -1.21 135.00 139.14 1q20 s PRO 38 Ca 0.12 1.62 0.05 0.00 0.02 0.00 0.00 61.00 62.82 1q20 s PRO 38 Cb -0.12 -3.42 -0.01 0.00 0.02 0.00 0.00 34.50 30.96 1q20 s PRO 38 CO 0.02 -0.22 -0.16 -0.06 -0.33 0.00 0.00 177.00 176.25 1q20 s PHE 39 N 1.26 1.45 0.19 6.54 0.40 0.51 0.21 117.98 128.52 1q20 s PHE 39 Ca 0.56 -0.29 -0.31 0.00 -0.60 0.00 0.00 56.93 56.29 1q20 s PHE 39 Cb -0.25 -0.92 -0.10 0.00 0.51 0.00 0.00 43.02 42.26 1q20 s PHE 39 CO 0.27 -0.01 1.47 -2.14 0.70 0.00 0.00 175.22 175.52 1q20 s PRO 40 N -0.54 4.26 0.42 0.24 0.02 -1.26 -1.32 135.00 136.82 1q20 s PRO 40 Ca 0.06 2.26 -0.25 0.00 0.02 0.00 0.00 61.00 63.09 1q20 s PRO 40 Cb -0.07 -3.16 -0.08 0.00 0.02 0.00 0.00 34.50 31.21 1q20 s PRO 40 CO -0.00 -0.49 1.21 0.08 -0.33 0.00 0.00 177.00 177.47 1q20 s VAL 41 N 0.68 2.96 0.00 3.83 1.01 0.26 -3.51 120.40 125.64 1q20 s VAL 41 Ca 0.64 0.80 0.00 0.00 0.00 0.00 0.00 61.98 63.42 1q20 s VAL 41 Cb -0.41 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1q20 s VAL 41 CO 0.36 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1q20 n GLY 42 N 0.61 2.78 0.41 4.51 0.00 -1.26 -4.64 105.19 107.60 1q20 n GLY 42 Ca 0.05 -0.68 0.13 0.00 0.00 0.00 0.00 46.02 45.52 1q20 n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q20 n LEU 43 N 0.00 1.48 -3.95 0.99 4.77 -1.25 -4.88 117.00 114.16 1q20 n LEU 43 Ca 0.00 -0.47 -0.09 0.00 -0.03 0.00 0.00 56.01 55.42 1q20 n LEU 43 Cb 0.00 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 40.94 1q20 n LEU 43 CO 0.00 0.26 -0.23 -0.31 -1.33 0.00 0.00 177.39 175.78 1q20 s TYR 44 N -2.34 0.25 0.14 -1.77 2.02 -1.23 -1.88 117.35 112.54 1q20 s TYR 44 Ca 0.27 -0.61 -0.14 0.00 -0.37 0.00 0.00 57.07 56.22 1q20 s TYR 44 Cb 0.20 -0.18 0.02 0.00 -0.40 0.00 0.00 41.96 41.60 1q20 s TYR 44 CO 0.47 -0.38 0.37 -1.54 -1.57 0.00 0.00 175.55 172.89 1q20 s SER 45 N -2.32 -0.14 0.22 2.29 1.04 -1.26 -4.76 113.70 108.77 1q20 s SER 45 Ca -0.02 -0.48 -0.09 0.00 0.48 0.00 0.00 55.95 55.84 1q20 s SER 45 Cb 0.01 0.46 0.34 0.00 0.10 0.00 0.00 66.02 66.93 1q20 s SER 45 CO -0.06 -0.87 1.67 0.25 0.98 0.00 0.00 173.24 175.21 1q20 h LEU 46 N 2.43 -0.17 -0.07 2.42 5.85 -1.97 -0.69 115.31 123.12 1q20 h LEU 46 Ca -0.33 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1q20 h LEU 46 Cb 1.24 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.51 1q20 h LEU 46 CO 0.47 -0.08 0.04 -0.33 -0.34 0.00 0.00 178.44 178.20 1q20 h GLU 47 N 0.17 0.09 -0.67 1.25 3.07 -1.98 -0.17 114.58 116.34 1q20 h GLU 47 Ca 0.35 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.16 1q20 h GLU 47 Cb 0.56 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.43 1q20 h GLU 47 CO -0.51 0.14 0.28 0.66 -1.40 0.00 0.00 179.01 178.18 1q20 h SER 48 N 0.02 0.92 -0.14 1.42 4.64 -1.64 -0.35 113.55 118.41 1q20 h SER 48 Ca 0.02 -0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.14 1q20 h SER 48 Cb 0.08 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1q20 h SER 48 CO -0.00 0.83 -0.04 0.40 -0.87 0.00 0.00 176.83 177.15 1q20 h ILE 49 N 0.95 1.30 -0.81 0.95 2.04 -1.12 -2.74 117.51 118.08 1q20 h ILE 49 Ca 0.23 -1.02 0.06 0.00 1.00 0.00 0.00 64.86 65.12 1q20 h ILE 49 Cb 0.19 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 1q20 h ILE 49 CO -0.02 0.30 0.53 -1.28 0.00 0.00 0.00 178.15 177.68 1q20 h SER 50 N -0.03 0.79 0.12 1.72 0.87 -0.87 -0.65 113.55 115.50 1q20 h SER 50 Ca 0.04 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1q20 h SER 50 Cb 0.48 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1q20 h SER 50 CO 0.02 0.52 -0.06 0.25 -0.53 0.00 0.00 176.83 177.02 1q20 h LEU 51 N 0.90 -0.14 -1.22 2.23 5.85 -0.94 -1.02 115.31 120.98 1q20 h LEU 51 Ca 0.35 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 1q20 h LEU 51 Cb 0.20 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1q20 h LEU 51 CO -0.12 -0.00 0.16 0.00 -0.34 0.00 0.00 178.44 178.13 1q20 h ALA 52 N 0.61 1.38 -0.12 1.25 0.00 -1.14 -0.21 119.26 121.02 1q20 h ALA 52 Ca -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1q20 h ALA 52 Cb 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1q20 h ALA 52 CO 0.03 0.46 -0.01 1.49 0.00 0.00 0.00 179.25 181.21 1q20 h GLU 53 N 0.69 0.22 -0.50 0.00 4.81 -0.92 -3.27 114.58 115.60 1q20 h GLU 53 Ca 0.16 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1q20 h GLU 53 Cb 0.20 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1q20 h GLU 53 CO -0.01 0.49 0.00 0.09 -0.73 0.00 0.00 179.01 178.85 1q20 n ASN 54 N -4.77 3.60 -4.77 1.04 3.02 -0.41 -1.12 115.26 111.86 1q20 n ASN 54 Ca -0.06 -1.99 -0.34 0.00 -0.03 0.00 0.00 54.58 52.16 1q20 n ASN 54 Cb 0.23 -0.33 0.03 0.00 -0.61 0.00 0.00 39.78 39.10 1q20 n ASN 54 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1q20 s THR 55 N -1.30 3.15 -1.68 3.41 -1.32 -0.10 -4.92 115.64 112.88 1q20 s THR 55 Ca 0.41 0.61 0.20 0.00 -1.21 0.00 0.00 61.69 61.70 1q20 s THR 55 Cb 0.23 -3.16 -0.05 0.00 -1.51 0.00 0.00 72.50 68.02 1q20 s THR 55 CO 0.31 -0.26 0.98 0.00 -2.21 0.00 0.00 174.62 173.44 1q20 n GLN 56 N -1.98 1.22 -2.22 7.08 1.13 -1.26 -4.39 117.38 116.96 1q20 n GLN 56 Ca 0.11 -0.76 -0.43 0.00 -1.94 0.00 0.00 57.00 53.98 1q20 n GLN 56 Cb 0.51 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 29.45 1q20 n GLN 56 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1q20 n ASP 57 N -0.32 4.51 -4.09 1.08 2.03 -1.26 -4.88 116.55 113.61 1q20 n ASP 57 Ca 0.08 -2.91 -0.30 0.00 0.52 0.00 0.00 54.79 52.18 1q20 n ASP 57 Cb 0.40 -1.67 -0.17 0.00 -0.72 0.00 0.00 41.12 38.97 1q20 n ASP 57 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1q20 s VAL 58 N 3.25 1.71 0.13 5.18 1.01 -1.26 -5.09 120.40 125.33 1q20 s VAL 58 Ca 0.49 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1q20 s VAL 58 Cb 0.08 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1q20 s VAL 58 CO -0.01 0.48 0.05 -0.13 0.00 0.00 0.00 175.10 175.49 1q20 s ARG 59 N 0.97 2.66 0.41 2.72 0.52 -1.26 -4.98 118.95 119.99 1q20 s ARG 59 Ca -0.06 -0.88 0.16 0.00 -0.52 0.00 0.00 55.73 54.43 1q20 s ARG 59 Cb -0.15 -2.56 1.04 0.00 0.52 0.00 0.00 34.95 33.80 1q20 s ARG 59 CO -0.03 0.51 1.85 -0.44 0.02 0.00 0.00 175.30 177.22 1q20 h ASP 60 N 2.98 0.45 -0.66 0.23 3.32 -1.98 -1.50 116.42 119.27 1q20 h ASP 60 Ca -0.47 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1q20 h ASP 60 Cb 1.18 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1q20 h ASP 60 CO 0.61 0.18 0.00 -0.90 -1.72 0.00 0.00 179.24 177.42 1q20 n ASP 61 N -4.53 3.77 -4.75 6.45 5.75 -1.26 -3.69 116.55 118.28 1q20 n ASP 61 Ca 0.19 -2.00 -0.36 0.00 -0.01 0.00 0.00 54.79 52.61 1q20 n ASP 61 Cb 0.67 -0.44 0.03 0.00 -1.03 0.00 0.00 41.12 40.35 1q20 n ASP 61 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1q20 s ASP 62 N -1.02 5.27 -0.07 -1.12 -0.00 -0.56 -4.35 116.67 114.82 1q20 s ASP 62 Ca 0.44 2.44 0.02 0.00 -0.00 0.00 0.00 52.55 55.45 1q20 s ASP 62 Cb 0.23 -2.60 0.01 0.00 -0.00 0.00 0.00 42.92 40.56 1q20 s ASP 62 CO 0.30 -1.54 -0.14 -0.63 -0.00 0.00 0.00 175.17 173.16 1q20 s ILE 63 N -1.54 1.26 -0.06 0.77 1.01 0.13 -1.75 121.20 121.02 1q20 s ILE 63 Ca 0.76 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.91 1q20 s ILE 63 Cb -0.32 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 1q20 s ILE 63 CO 0.35 0.38 -0.22 -0.36 0.00 0.00 0.00 174.94 175.09 1q20 s PHE 64 N 0.64 2.51 -0.23 3.97 0.08 0.16 -1.05 117.98 124.07 1q20 s PHE 64 Ca -0.15 -0.61 -0.04 0.00 0.12 0.00 0.00 56.93 56.24 1q20 s PHE 64 Cb -0.16 -1.62 -0.01 0.00 -0.57 0.00 0.00 43.02 40.66 1q20 s PHE 64 CO 0.04 -0.15 -0.02 0.42 -0.10 0.00 0.00 175.22 175.42 1q20 s ILE 65 N -0.22 3.54 -0.06 0.64 1.01 -0.04 -0.90 121.20 125.18 1q20 s ILE 65 Ca -0.01 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.23 1q20 s ILE 65 Cb -0.13 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 1q20 s ILE 65 CO 0.03 0.39 -0.24 -0.63 0.00 0.00 0.00 174.94 174.49 1q20 s ILE 66 N 1.50 2.01 0.18 2.92 1.09 -0.24 -0.77 121.20 127.88 1q20 s ILE 66 Ca 0.06 -1.04 -0.18 0.00 -1.10 0.00 0.00 60.65 58.38 1q20 s ILE 66 Cb -0.15 -1.70 0.04 0.00 -1.06 0.00 0.00 42.46 39.59 1q20 s ILE 66 CO -0.02 0.56 0.52 0.42 -0.10 0.00 0.00 174.94 176.32 1q20 s THR 67 N -0.13 0.03 0.04 2.92 -4.23 -0.87 -1.66 115.64 111.75 1q20 s THR 67 Ca -0.04 -0.62 -0.20 0.00 -1.18 0.00 0.00 61.69 59.65 1q20 s THR 67 Cb -0.14 -1.42 -0.06 0.00 1.34 0.00 0.00 72.50 72.22 1q20 s THR 67 CO 0.04 -0.13 0.60 -0.47 -0.54 0.00 0.00 174.62 174.12 1q20 s TYR 68 N -3.84 3.76 0.21 3.99 5.04 -1.26 -4.19 117.35 121.06 1q20 s TYR 68 Ca 0.07 1.27 -0.29 0.00 -2.44 0.00 0.00 57.07 55.68 1q20 s TYR 68 Cb -0.01 -2.58 -0.16 0.00 0.35 0.00 0.00 41.96 39.56 1q20 s TYR 68 CO -0.06 0.47 0.69 -2.30 -1.34 0.00 0.00 175.55 173.01 1q20 n PRO 69 N 2.20 0.37 -1.79 4.97 -0.02 -1.26 -2.72 135.00 136.75 1q20 n PRO 69 Ca -0.08 0.13 -0.09 0.00 -2.02 0.00 0.00 63.50 61.44 1q20 n PRO 69 Cb 0.51 -1.27 -0.02 0.00 -0.02 0.00 0.00 33.50 32.70 1q20 n PRO 69 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1q20 n LYS 70 N 0.99 -0.70 -0.06 -0.52 4.76 -1.26 -4.93 118.16 116.44 1q20 n LYS 70 Ca 0.16 0.61 0.12 0.00 -2.87 0.00 0.00 58.31 56.33 1q20 n LYS 70 Cb 0.26 -4.57 0.19 0.00 -1.84 0.00 0.00 35.03 29.06 1q20 n LYS 70 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1q20 n SER 71 N 0.34 2.92 0.00 4.39 7.64 -1.10 -4.68 113.62 123.13 1q20 n SER 71 Ca -0.10 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.84 1q20 n SER 71 Cb 0.46 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1q20 n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1q20 n GLY 72 N 1.37 1.89 0.13 0.23 0.00 -1.26 -4.54 105.19 103.01 1q20 n GLY 72 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 1q20 n GLY 72 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1q20 h THR 73 N 0.00 0.85 -0.81 2.61 2.02 -1.91 -1.85 112.91 113.82 1q20 h THR 73 Ca 0.00 -0.05 0.14 0.00 0.77 0.00 0.00 66.41 67.27 1q20 h THR 73 Cb 0.00 0.70 -0.09 0.00 -1.74 0.00 0.00 68.15 67.01 1q20 h THR 73 CO 0.00 0.03 0.39 0.74 0.37 0.00 0.00 175.52 177.05 1q20 h THR 74 N 0.14 0.71 0.77 3.16 2.02 -1.99 0.55 112.91 118.28 1q20 h THR 74 Ca 0.13 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1q20 h THR 74 Cb 0.15 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1q20 h THR 74 CO -0.18 0.10 -0.43 -0.25 0.37 0.00 0.00 175.52 175.13 1q20 h TRP 75 N 0.56 -1.13 -0.89 3.16 2.91 -1.75 -1.77 115.95 117.05 1q20 h TRP 75 Ca 0.44 -0.02 0.10 0.00 1.13 0.00 0.00 58.89 60.55 1q20 h TRP 75 Cb 0.63 0.39 -0.08 0.00 -0.51 0.00 0.00 29.16 29.60 1q20 h TRP 75 CO -0.12 -0.66 0.52 1.98 -1.03 0.00 0.00 178.44 179.13 1q20 h MET 76 N -1.12 0.83 -0.35 2.65 4.05 -0.99 -0.79 114.93 119.22 1q20 h MET 76 Ca -0.10 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.28 1q20 h MET 76 Cb 0.88 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.47 1q20 h MET 76 CO 0.13 0.55 0.21 0.82 0.23 0.00 0.00 176.91 178.85 1q20 h ILE 77 N 0.86 1.04 -0.66 1.77 2.04 -0.75 -1.49 117.51 120.32 1q20 h ILE 77 Ca 0.43 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 66.06 1q20 h ILE 77 Cb 0.40 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1q20 h ILE 77 CO -0.25 0.08 0.09 -0.08 0.00 0.00 0.00 178.15 177.98 1q20 h GLU 78 N 0.42 1.11 -0.45 2.37 4.57 -0.59 -1.35 114.58 120.66 1q20 h GLU 78 Ca 0.14 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1q20 h GLU 78 Cb -0.00 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 1q20 h GLU 78 CO -0.06 1.02 0.30 0.82 -1.18 0.00 0.00 179.01 179.91 1q20 h ILE 79 N 1.03 1.12 -0.07 2.32 2.04 -0.79 -1.85 117.51 121.30 1q20 h ILE 79 Ca 0.20 -0.21 -0.17 0.00 1.00 0.00 0.00 64.86 65.68 1q20 h ILE 79 Cb 0.46 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1q20 h ILE 79 CO 0.02 0.11 -0.68 0.40 0.00 0.00 0.00 178.15 177.99 1q20 h ILE 80 N 0.61 1.39 -0.61 -0.67 2.04 -1.11 -0.89 117.51 118.27 1q20 h ILE 80 Ca 0.17 -2.11 -0.02 0.00 1.00 0.00 0.00 64.86 63.89 1q20 h ILE 80 Cb -0.07 2.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 1q20 h ILE 80 CO -0.04 0.63 0.30 0.00 0.00 0.00 0.00 178.15 179.05 1q20 h LEU 82 N 0.85 0.46 -0.45 0.00 3.38 -1.06 -2.95 115.31 115.55 1q20 h LEU 82 Ca 0.21 -0.51 0.04 0.00 0.09 0.00 0.00 57.88 57.71 1q20 h LEU 82 Cb 0.07 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1q20 h LEU 82 CO -0.03 0.88 0.21 0.40 0.09 0.00 0.00 178.44 179.99 1q20 h ILE 83 N 0.05 0.95 -0.71 1.22 2.04 -0.53 0.86 117.51 121.40 1q20 h ILE 83 Ca 0.02 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.79 1q20 h ILE 83 Cb 0.77 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1q20 h ILE 83 CO 0.05 0.08 0.47 -0.07 0.00 0.00 0.00 178.15 178.68 1q20 h LEU 84 N 0.43 0.67 -2.80 1.44 3.38 -0.88 0.24 115.31 117.79 1q20 h LEU 84 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1q20 h LEU 84 Cb 0.11 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1q20 h LEU 84 CO -0.14 0.44 0.00 0.29 0.09 0.00 0.00 178.44 179.12 1q20 n LYS 85 N -4.47 3.53 -3.99 1.13 4.76 -0.93 -4.95 118.16 113.25 1q20 n LYS 85 Ca 0.10 -2.50 -0.30 0.00 -2.87 0.00 0.00 58.31 52.75 1q20 n LYS 85 Cb 0.20 -1.87 0.00 0.00 -1.84 0.00 0.00 35.03 31.52 1q20 n LYS 85 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1q20 n GLU 86 N 0.87 -4.22 0.00 1.97 1.02 0.07 -2.20 120.64 118.15 1q20 n GLU 86 Ca 0.22 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 1q20 n GLU 86 Cb 0.83 -5.10 0.00 0.00 -0.02 0.00 0.00 31.44 27.15 1q20 n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1q20 n GLY 87 N -1.66 1.81 3.64 0.62 0.00 0.19 -4.62 105.19 105.17 1q20 n GLY 87 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1q20 n GLY 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1q20 s ASP 88 N -1.86 6.78 0.00 1.61 -1.08 -0.93 -4.58 116.67 116.61 1q20 s ASP 88 Ca 0.00 1.28 0.19 0.00 -0.52 0.00 0.00 52.55 53.51 1q20 s ASP 88 Cb 0.00 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.85 1q20 s ASP 88 CO 0.00 -0.97 1.61 -2.65 0.52 0.00 0.00 175.17 173.67 1q20 n PRO 89 N 7.07 0.19 -0.23 4.34 -0.02 -1.26 -4.21 135.00 140.89 1q20 n PRO 89 Ca 0.14 0.12 0.04 0.00 -2.02 0.00 0.00 63.50 61.78 1q20 n PRO 89 Cb 0.46 -1.50 0.16 0.00 -0.02 0.00 0.00 33.50 32.60 1q20 n PRO 89 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1q20 h SER 90 N 0.00 0.02 -0.34 2.55 0.87 -1.97 0.01 113.55 114.69 1q20 h SER 90 Ca 0.00 0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.63 1q20 h SER 90 Cb 0.23 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1q20 h SER 90 CO 0.00 -0.01 -0.05 -0.25 -0.53 0.00 0.00 176.83 175.99 1q20 h TRP 91 N 0.28 0.70 0.00 2.24 7.01 -1.96 -2.14 115.95 122.07 1q20 h TRP 91 Ca 0.38 -0.14 0.00 0.00 2.11 0.00 0.00 58.89 61.24 1q20 h TRP 91 Cb 0.62 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.50 1q20 h TRP 91 CO -0.25 0.78 0.00 -0.84 -2.79 0.00 0.00 178.44 175.33 1q20 h ILE 92 N 0.42 0.00 0.04 2.65 3.07 -1.71 -0.87 117.51 121.12 1q20 h ILE 92 Ca 0.09 -0.59 -0.26 0.00 1.55 0.00 0.00 64.86 65.66 1q20 h ILE 92 Cb 0.53 1.54 -0.02 0.00 -0.27 0.00 0.00 36.82 38.59 1q20 h ILE 92 CO 0.03 0.00 -1.30 0.03 -1.05 0.00 0.00 178.15 175.85 1q20 h ARG 93 N 0.00 0.09 0.00 0.16 3.08 -0.84 -3.40 114.38 113.47 1q20 h ARG 93 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1q20 h ARG 93 Cb 0.64 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1q20 h ARG 93 CO 0.00 0.95 -1.43 -1.13 -1.07 0.00 0.00 179.97 177.29 1q20 n SER 94 N -3.33 1.24 -4.38 7.04 3.41 -0.82 -4.68 113.62 112.10 1q20 n SER 94 Ca -0.08 -0.24 -0.33 0.00 -0.26 0.00 0.00 58.87 57.96 1q20 n SER 94 Cb 1.00 1.51 -0.14 0.00 -0.26 0.00 0.00 64.21 66.31 1q20 n SER 94 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1q20 s VAL 95 N -2.90 2.90 0.38 -3.33 1.01 -0.34 -5.08 120.40 113.04 1q20 s VAL 95 Ca -0.02 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 60.94 1q20 s VAL 95 Cb 0.10 -2.18 -0.10 0.00 0.00 0.00 0.00 36.38 34.20 1q20 s VAL 95 CO 0.64 0.55 1.42 -2.16 0.00 0.00 0.00 175.10 175.55 1q20 s PRO 96 N 0.04 4.10 0.29 2.72 0.04 -1.26 -4.69 135.00 136.24 1q20 s PRO 96 Ca -0.06 2.44 0.04 0.00 0.04 0.00 0.00 61.00 63.47 1q20 s PRO 96 Cb -0.15 -2.93 0.70 0.00 0.04 0.00 0.00 34.50 32.16 1q20 s PRO 96 CO 0.05 -0.49 1.76 0.97 0.04 0.00 0.00 177.00 179.33 1q20 h ILE 97 N 2.86 0.68 0.00 0.56 2.10 -1.56 -0.24 117.51 121.90 1q20 h ILE 97 Ca -0.50 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 65.20 1q20 h ILE 97 Cb 1.24 -0.07 0.00 0.00 -1.09 0.00 0.00 36.82 36.90 1q20 h ILE 97 CO 0.64 0.13 0.00 -2.67 -1.08 0.00 0.00 178.15 175.17 1q20 n TRP 98 N -4.82 0.00 -0.06 2.19 2.14 -1.26 -1.99 117.44 113.63 1q20 n TRP 98 Ca 0.22 0.00 -0.03 0.00 2.07 0.00 0.00 57.50 59.76 1q20 n TRP 98 Cb 0.56 -0.44 -0.16 0.00 -0.81 0.00 0.00 31.31 30.47 1q20 n TRP 98 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1q20 n GLU 99 N -1.44 0.68 0.15 -2.67 1.02 -0.14 -3.35 120.64 114.88 1q20 n GLU 99 Ca 0.05 -0.04 0.02 0.00 -0.02 0.00 0.00 57.16 57.17 1q20 n GLU 99 Cb 0.16 -1.54 0.12 0.00 -0.02 0.00 0.00 31.44 30.15 1q20 n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q20 h ARG 100 N 0.00 0.00 -1.31 3.49 3.08 -0.97 -3.38 114.38 115.28 1q20 h ARG 100 Ca -0.36 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.25 1q20 h ARG 100 Cb 1.85 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 31.59 1q20 h ARG 100 CO 0.02 0.52 -0.89 0.00 -1.07 0.00 0.00 179.97 178.55 1q20 n ALA 101 N -2.27 1.09 -1.40 0.04 0.00 -0.99 -4.65 120.51 112.34 1q20 n ALA 101 Ca 0.01 -2.70 -0.37 0.00 0.00 0.00 0.00 53.44 50.38 1q20 n ALA 101 Cb 0.68 -0.99 0.06 0.00 0.00 0.00 0.00 19.45 19.19 1q20 n ALA 101 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1q20 n PRO 102 N 1.52 0.49 -3.11 0.00 -0.02 -1.21 -3.83 135.00 128.84 1q20 n PRO 102 Ca 0.17 0.21 -0.39 0.00 -2.02 0.00 0.00 63.50 61.47 1q20 n PRO 102 Cb 0.56 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 32.06 1q20 n PRO 102 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1q20 s TRP 103 N -1.77 3.82 0.06 6.00 0.52 -1.26 -0.36 118.94 125.93 1q20 s TRP 103 Ca 0.70 1.43 -0.20 0.00 0.02 0.00 0.00 56.10 58.05 1q20 s TRP 103 Cb -0.38 -2.67 -0.12 0.00 -1.15 0.00 0.00 33.47 29.14 1q20 s TRP 103 CO 0.54 0.47 1.40 0.00 0.02 0.00 0.00 176.95 179.38 1q20 n GLU 105 N -4.57 0.21 -1.34 0.00 0.00 -1.26 -4.47 120.64 109.21 1q20 n GLU 105 Ca -0.05 0.09 -0.32 0.00 0.00 0.00 0.00 57.16 56.89 1q20 n GLU 105 Cb 0.33 -1.66 0.09 0.00 0.00 0.00 0.00 31.44 30.19 1q20 n GLU 105 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1q20 s THR 106 N -3.11 3.18 0.28 3.84 -4.23 -1.26 -3.51 115.64 110.84 1q20 s THR 106 Ca 0.09 0.43 0.02 0.00 -1.18 0.00 0.00 61.69 61.04 1q20 s THR 106 Cb 0.14 -2.89 0.29 0.00 1.34 0.00 0.00 72.50 71.39 1q20 s THR 106 CO 0.67 -0.46 1.67 0.40 -0.54 0.00 0.00 174.62 176.36 1q20 h ILE 107 N -0.88 0.40 -3.17 2.99 1.08 -1.71 -2.04 117.51 114.17 1q20 h ILE 107 Ca -0.44 -0.10 -0.71 0.00 -0.39 0.00 0.00 64.86 63.22 1q20 h ILE 107 Cb 1.24 0.09 -0.35 0.00 -3.07 0.00 0.00 36.82 34.74 1q20 h ILE 107 CO 0.51 0.05 0.01 0.52 -0.69 0.00 0.00 178.15 178.55 1q20 n VAL 108 N -5.16 3.36 -2.30 1.67 0.31 -1.26 -4.91 118.33 110.04 1q20 n VAL 108 Ca 0.20 -5.25 -0.27 0.00 -0.01 0.00 0.00 64.34 59.02 1q20 n VAL 108 Cb 0.64 -2.33 0.16 0.00 -0.91 0.00 0.00 33.84 31.39 1q20 n VAL 108 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1q20 s GLY 109 N -0.48 1.78 0.39 2.92 0.00 -0.77 -4.75 107.32 106.40 1q20 s GLY 109 Ca 0.30 -1.58 0.28 0.00 0.00 0.00 0.00 44.72 43.72 1q20 s GLY 109 CO -0.08 -0.87 1.81 0.00 0.00 0.00 0.00 173.10 173.95 1q20 h ALA 110 N -1.11 1.00 -0.01 3.20 0.00 -1.54 -2.65 119.26 118.14 1q20 h ALA 110 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1q20 h ALA 110 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1q20 h ALA 110 CO 0.36 0.00 -0.27 1.19 0.00 0.00 0.00 179.25 180.53 1q20 n PHE 111 N -2.67 0.00 -2.17 0.00 0.99 -1.26 -3.85 117.46 108.49 1q20 n PHE 111 Ca 0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.25 1q20 n PHE 111 Cb 0.33 -0.16 0.02 0.00 -1.00 0.00 0.00 39.48 38.67 1q20 n PHE 111 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1q20 n SER 112 N -0.85 4.58 -3.79 4.37 3.41 -1.00 -5.01 113.62 115.33 1q20 n SER 112 Ca 0.11 -3.59 -0.13 0.00 -0.26 0.00 0.00 58.87 55.00 1q20 n SER 112 Cb 0.34 -0.37 -0.10 0.00 -0.26 0.00 0.00 64.21 63.82 1q20 n SER 112 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1q20 s LEU 113 N -3.60 1.00 0.54 1.04 1.43 -1.25 -4.74 118.68 113.10 1q20 s LEU 113 Ca 0.48 0.21 -0.21 0.00 -1.03 0.00 0.00 54.13 53.58 1q20 s LEU 113 Cb 0.40 1.06 -0.05 0.00 0.03 0.00 0.00 46.19 47.63 1q20 s LEU 113 CO -0.00 -0.31 1.25 -2.84 0.23 0.00 0.00 176.35 174.68 1q20 s PRO 114 N -0.81 3.27 -0.40 1.29 0.02 -1.26 -4.89 135.00 132.22 1q20 s PRO 114 Ca -0.09 1.96 -0.28 0.00 0.02 0.00 0.00 61.00 62.61 1q20 s PRO 114 Cb -0.05 -2.19 -0.08 0.00 0.02 0.00 0.00 34.50 32.21 1q20 s PRO 114 CO 0.02 -1.00 2.33 -0.25 -0.33 0.00 0.00 177.00 177.78 1q20 n ASP 115 N -1.05 2.54 -0.18 2.53 8.00 -1.26 -4.79 116.55 122.35 1q20 n ASP 115 Ca 0.11 -0.10 0.03 0.00 0.71 0.00 0.00 54.79 55.54 1q20 n ASP 115 Cb 0.47 -1.50 0.01 0.00 -0.02 0.00 0.00 41.12 40.08 1q20 n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q20 n GLN 116 N 8.79 1.63 -3.86 -1.24 3.00 -1.26 -5.00 117.38 119.44 1q20 n GLN 116 Ca 0.36 -0.60 -0.12 0.00 -0.01 0.00 0.00 57.00 56.63 1q20 n GLN 116 Cb 0.44 -1.01 -0.14 0.00 0.00 0.00 0.00 30.24 29.53 1q20 n GLN 116 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 1q20 s TYR 117 N -0.88 0.01 0.00 1.08 -0.00 -1.26 -5.10 117.35 111.19 1q20 s TYR 117 Ca 0.06 0.01 0.00 0.00 -0.00 0.00 0.00 57.07 57.14 1q20 s TYR 117 Cb 0.05 -0.03 0.00 0.00 -0.00 0.00 0.00 41.96 41.98 1q20 s TYR 117 CO 0.13 -0.01 0.11 -1.13 -0.00 0.00 0.00 175.55 174.66 1q20 n SER 118 N 3.22 0.00 -4.66 -0.18 3.41 -1.26 -4.11 113.62 110.04 1q20 n SER 118 Ca -0.14 0.11 -0.43 0.00 -0.26 0.00 0.00 58.87 58.16 1q20 n SER 118 Cb 0.59 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 1q20 n SER 118 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1q20 s PRO 119 N -0.23 4.20 0.12 4.33 0.02 -1.26 -4.94 135.00 137.24 1q20 s PRO 119 Ca 0.00 1.81 -0.30 0.00 0.02 0.00 0.00 61.00 62.53 1q20 s PRO 119 Cb 0.00 -3.84 -0.06 0.00 0.02 0.00 0.00 34.50 30.61 1q20 s PRO 119 CO 0.00 -0.78 1.10 1.03 -0.33 0.00 0.00 177.00 178.02 1q20 s ARG 120 N 3.71 4.56 -0.17 5.54 0.52 -1.26 -4.94 118.95 126.91 1q20 s ARG 120 Ca 0.61 1.67 -0.00 0.00 -0.52 0.00 0.00 55.73 57.49 1q20 s ARG 120 Cb -0.25 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 31.90 1q20 s ARG 120 CO 0.20 -0.01 -0.15 -1.17 0.02 0.00 0.00 175.30 174.19 1q20 s LEU 121 N 0.19 2.46 0.16 2.53 2.96 -1.26 -0.69 118.68 125.03 1q20 s LEU 121 Ca 0.52 -0.50 0.04 0.00 -0.22 0.00 0.00 54.13 53.96 1q20 s LEU 121 Cb -0.28 -1.57 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 1q20 s LEU 121 CO 0.32 0.04 -0.07 -0.04 -1.32 0.00 0.00 176.35 175.29 1q20 s MET 122 N 1.05 1.10 0.12 1.98 -1.94 -0.22 -3.76 119.30 117.64 1q20 s MET 122 Ca -0.01 -1.49 0.07 0.00 -1.71 0.00 0.00 55.69 52.55 1q20 s MET 122 Cb -0.15 -0.55 -0.04 0.00 2.01 0.00 0.00 34.83 36.11 1q20 s MET 122 CO -0.04 0.01 -0.17 -1.12 -0.01 0.00 0.00 175.02 173.70 1q20 s SER 123 N -3.18 2.26 -0.07 3.03 0.01 0.51 -0.86 113.70 115.39 1q20 s SER 123 Ca 0.19 -0.78 -0.29 0.00 1.31 0.00 0.00 55.95 56.38 1q20 s SER 123 Cb 0.04 -0.10 0.07 0.00 0.21 0.00 0.00 66.02 66.23 1q20 s SER 123 CO 0.02 -0.07 0.65 -0.55 0.41 0.00 0.00 173.24 173.70 1q20 s SER 124 N -2.33 -0.62 0.00 2.44 0.15 0.05 -1.02 113.70 112.36 1q20 s SER 124 Ca 0.09 0.74 0.08 0.00 0.70 0.00 0.00 55.95 57.57 1q20 s SER 124 Cb -0.07 0.63 0.16 0.00 -1.71 0.00 0.00 66.02 65.03 1q20 s SER 124 CO 0.04 -0.55 1.02 1.41 1.20 0.00 0.00 173.24 176.37 1q20 n HIS 125 N 1.17 0.21 -2.05 3.44 8.25 -1.26 -2.04 115.22 122.93 1q20 n HIS 125 Ca -0.19 -0.31 -0.41 0.00 -0.26 0.00 0.00 57.72 56.55 1q20 n HIS 125 Cb 0.57 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.63 1q20 n HIS 125 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1q20 s LEU 126 N -0.88 4.40 0.59 2.41 1.43 -1.26 -4.79 118.68 120.58 1q20 s LEU 126 Ca 0.14 2.66 -0.16 0.00 -1.03 0.00 0.00 54.13 55.75 1q20 s LEU 126 Cb 0.08 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 1q20 s LEU 126 CO 0.11 -0.64 1.06 -2.16 0.23 0.00 0.00 176.35 174.95 1q20 s PRO 127 N -0.84 3.31 0.52 1.29 0.04 -1.26 -4.65 135.00 133.41 1q20 s PRO 127 Ca 0.56 1.22 0.33 0.00 0.04 0.00 0.00 61.00 63.14 1q20 s PRO 127 Cb -0.41 -2.03 1.47 0.00 0.04 0.00 0.00 34.50 33.58 1q20 s PRO 127 CO 0.46 -0.82 1.82 0.97 0.04 0.00 0.00 177.00 179.47 1q20 h ILE 128 N 0.45 0.45 0.00 0.56 2.10 -1.91 -0.27 117.51 118.89 1q20 h ILE 128 Ca -0.47 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.45 1q20 h ILE 128 Cb 1.22 0.39 0.00 0.00 -1.09 0.00 0.00 36.82 37.34 1q20 h ILE 128 CO 0.57 0.01 0.00 0.00 -1.08 0.00 0.00 178.15 177.65 1q20 n GLN 129 N -4.26 0.38 -0.00 2.19 0.00 -1.26 -3.60 117.38 110.83 1q20 n GLN 129 Ca 0.24 0.04 0.00 0.00 0.00 0.00 0.00 57.00 57.28 1q20 n GLN 129 Cb 1.14 -1.50 -0.00 0.00 0.00 0.00 0.00 30.24 29.88 1q20 n GLN 129 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1q20 n ILE 130 N -1.28 0.01 -1.40 -0.39 5.41 -0.19 -5.05 119.36 116.46 1q20 n ILE 130 Ca 0.13 -0.01 -0.36 0.00 1.00 0.00 0.00 62.75 63.51 1q20 n ILE 130 Cb 0.21 0.03 0.08 0.00 -0.71 0.00 0.00 39.64 39.25 1q20 n ILE 130 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1q20 n PHE 131 N -1.67 0.56 -1.13 1.39 7.35 -0.74 -4.34 117.46 118.88 1q20 n PHE 131 Ca -0.00 0.40 -0.35 0.00 -0.76 0.00 0.00 57.45 56.74 1q20 n PHE 131 Cb 0.16 -2.08 -0.11 0.00 0.35 0.00 0.00 39.48 37.80 1q20 n PHE 131 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1q20 n THR 132 N -2.35 0.00 -0.14 -2.13 -1.04 -1.23 -4.81 114.28 102.58 1q20 n THR 132 Ca 0.13 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.27 1q20 n THR 132 Cb 0.49 -0.39 0.48 0.00 -1.82 0.00 0.00 70.33 69.09 1q20 n THR 132 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1q20 h LYS 133 N 8.93 0.45 0.00 -2.82 1.57 -1.37 -0.50 116.57 122.83 1q20 h LYS 133 Ca -0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1q20 h LYS 133 Cb 1.04 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1q20 h LYS 133 CO 1.04 0.30 0.00 0.00 -0.57 0.00 0.00 179.45 180.22 1q20 n ALA 134 N -2.51 1.38 -0.04 3.86 0.00 -1.26 -2.51 120.51 119.43 1q20 n ALA 134 Ca 0.12 -0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.44 1q20 n ALA 134 Cb 0.43 -1.09 0.06 0.00 0.00 0.00 0.00 19.45 18.84 1q20 n ALA 134 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1q20 h PHE 135 N 0.00 0.82 -0.20 0.00 3.57 -1.44 -3.27 116.94 116.43 1q20 h PHE 135 Ca 0.00 -0.25 0.06 0.00 3.53 0.00 0.00 57.97 61.31 1q20 h PHE 135 Cb 0.07 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1q20 h PHE 135 CO 0.00 0.98 0.18 0.74 -2.23 0.00 0.00 178.31 177.99 1q20 h PHE 136 N 0.56 0.00 -0.34 0.41 -1.00 -1.70 -0.73 116.94 114.14 1q20 h PHE 136 Ca 0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1q20 h PHE 136 Cb 0.95 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.51 1q20 h PHE 136 CO 0.05 0.00 0.00 -1.13 -1.61 0.00 0.00 178.31 175.62 1q20 n SER 137 N -4.03 4.09 -4.95 2.17 3.41 -1.23 -5.01 113.62 108.07 1q20 n SER 137 Ca 0.02 -2.85 -0.23 0.00 -0.26 0.00 0.00 58.87 55.55 1q20 n SER 137 Cb 0.31 -0.53 0.01 0.00 -0.26 0.00 0.00 64.21 63.75 1q20 n SER 137 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1q20 s SER 138 N -1.60 4.87 0.00 4.04 1.04 -0.28 -5.03 113.70 116.75 1q20 s SER 138 Ca 0.42 -1.02 0.14 0.00 0.48 0.00 0.00 55.95 55.97 1q20 s SER 138 Cb 0.32 0.21 0.15 0.00 0.10 0.00 0.00 66.02 66.80 1q20 s SER 138 CO 0.12 -1.11 0.99 0.29 0.98 0.00 0.00 173.24 174.51 1q20 n LYS 139 N -1.90 1.19 -1.53 4.02 5.02 -1.26 -5.02 118.16 118.69 1q20 n LYS 139 Ca 0.05 -1.45 -0.38 0.00 -2.02 0.00 0.00 58.31 54.52 1q20 n LYS 139 Cb 0.63 -1.28 0.05 0.00 -0.02 0.00 0.00 35.03 34.41 1q20 n LYS 139 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q20 n ALA 140 N 0.78 -0.52 -2.87 7.82 0.00 -1.24 -4.81 120.51 119.67 1q20 n ALA 140 Ca 0.09 -0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.15 1q20 n ALA 140 Cb 0.37 -1.97 -0.06 0.00 0.00 0.00 0.00 19.45 17.79 1q20 n ALA 140 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1q20 s LYS 141 N -2.47 3.38 -0.06 0.00 1.02 -0.72 -4.86 119.74 116.04 1q20 s LYS 141 Ca 0.73 -0.24 0.03 0.00 0.02 0.00 0.00 55.97 56.50 1q20 s LYS 141 Cb -0.42 -3.11 0.01 0.00 -0.52 0.00 0.00 37.83 33.79 1q20 s LYS 141 CO 0.50 0.73 -0.14 0.08 -0.92 0.00 0.00 175.35 175.60 1q20 s VAL 142 N -1.14 1.22 -0.24 3.17 1.01 -0.72 -0.66 120.40 123.03 1q20 s VAL 142 Ca 0.20 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1q20 s VAL 142 Cb -0.12 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.19 1q20 s VAL 142 CO 0.10 0.37 -0.06 -0.63 0.00 0.00 0.00 175.10 174.88 1q20 s ILE 143 N 0.47 2.98 -0.18 2.22 1.09 -0.08 -0.86 121.20 126.84 1q20 s ILE 143 Ca -0.12 -0.93 -0.08 0.00 -1.10 0.00 0.00 60.65 58.42 1q20 s ILE 143 Cb -0.14 -2.48 -0.04 0.00 -1.06 0.00 0.00 42.46 38.73 1q20 s ILE 143 CO 0.03 0.24 0.10 -0.47 -0.10 0.00 0.00 174.94 174.74 1q20 s TYR 144 N 1.36 3.36 -0.07 3.97 5.04 0.14 -1.08 117.35 130.07 1q20 s TYR 144 Ca 0.01 0.25 0.05 0.00 -2.44 0.00 0.00 57.07 54.94 1q20 s TYR 144 Cb -0.16 -2.09 -0.01 0.00 0.35 0.00 0.00 41.96 40.05 1q20 s TYR 144 CO -0.04 0.30 -0.24 1.41 -1.34 0.00 0.00 175.55 175.63 1q20 s MET 145 N 0.16 2.62 0.28 4.97 -2.45 -0.66 -1.13 119.30 123.08 1q20 s MET 145 Ca 0.07 -0.87 0.12 0.00 -1.25 0.00 0.00 55.69 53.76 1q20 s MET 145 Cb -0.12 -2.14 -0.05 0.00 1.25 0.00 0.00 34.83 33.77 1q20 s MET 145 CO -0.00 0.30 -0.19 0.20 1.05 0.00 0.00 175.02 176.38 1q20 s GLY 146 N 0.02 1.87 0.05 2.11 0.00 -0.44 -4.37 107.32 106.56 1q20 s GLY 146 Ca -0.08 -1.87 -0.04 0.00 0.00 0.00 0.00 44.72 42.72 1q20 s GLY 146 CO 0.05 -1.96 0.06 -1.60 0.00 0.00 0.00 173.10 169.65 1q20 s ARG 147 N -3.52 0.62 -0.22 2.90 3.52 -1.26 -0.52 118.95 120.46 1q20 s ARG 147 Ca 0.30 -0.93 -0.37 0.00 -0.13 0.00 0.00 55.73 54.59 1q20 s ARG 147 Cb -0.05 0.23 -0.14 0.00 -1.56 0.00 0.00 34.95 33.44 1q20 s ARG 147 CO 0.15 -0.15 1.85 -1.71 -0.81 0.00 0.00 175.30 174.63 1q20 n ASN 148 N 0.47 2.74 0.27 -2.12 2.85 -1.26 -4.79 115.26 113.42 1q20 n ASN 148 Ca -0.17 0.96 0.18 0.00 -0.11 0.00 0.00 54.58 55.44 1q20 n ASN 148 Cb 0.60 -1.23 0.93 0.00 1.24 0.00 0.00 39.78 41.31 1q20 n ASN 148 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1q20 h PRO 149 N 8.58 0.00 -0.28 1.20 0.13 -1.98 -1.20 132.00 138.45 1q20 h PRO 149 Ca -0.45 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 1q20 h PRO 149 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 1q20 h PRO 149 CO 0.97 0.00 -0.26 0.00 -0.23 0.00 0.00 178.00 178.47 1q20 h ARG 150 N 0.00 0.67 0.00 0.86 3.08 -2.00 -1.20 114.38 115.79 1q20 h ARG 150 Ca 0.04 -0.35 -0.07 0.00 0.07 0.00 0.00 59.98 59.67 1q20 h ARG 150 Cb 0.33 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1q20 h ARG 150 CO -0.00 0.96 -0.35 -0.44 -1.07 0.00 0.00 179.97 179.06 1q20 h ASP 151 N 0.41 0.00 -0.36 7.04 3.32 -1.64 -2.78 116.42 122.41 1q20 h ASP 151 Ca 0.05 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.95 1q20 h ASP 151 Cb 0.83 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1q20 h ASP 151 CO 0.07 0.35 -0.32 0.58 -1.72 0.00 0.00 179.24 178.20 1q20 h VAL 152 N 0.00 1.27 -0.21 -1.35 2.07 -0.97 -1.71 116.25 115.35 1q20 h VAL 152 Ca -0.00 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 1q20 h VAL 152 Cb 0.87 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1q20 h VAL 152 CO 0.05 0.50 0.11 0.58 0.02 0.00 0.00 177.57 178.82 1q20 h VAL 153 N 0.75 1.13 0.00 2.57 2.07 -0.97 -0.81 116.25 121.00 1q20 h VAL 153 Ca 0.08 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1q20 h VAL 153 Cb 0.89 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1q20 h VAL 153 CO 0.08 0.12 -0.00 0.58 0.02 0.00 0.00 177.57 178.37 1q20 h VAL 154 N 0.22 1.12 -0.92 2.57 2.07 -1.44 0.08 116.25 119.96 1q20 h VAL 154 Ca 0.07 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.28 1q20 h VAL 154 Cb 0.10 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 1q20 h VAL 154 CO -0.01 0.10 0.58 -1.28 0.02 0.00 0.00 177.57 176.98 1q20 h SER 155 N -0.17 0.93 0.51 0.57 0.87 -1.23 -1.46 113.55 113.58 1q20 h SER 155 Ca -0.00 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.45 1q20 h SER 155 Cb 0.16 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1q20 h SER 155 CO 0.00 0.60 -0.56 0.25 -0.53 0.00 0.00 176.83 176.59 1q20 h LEU 156 N 1.07 0.06 0.12 2.23 5.85 -0.93 -1.95 115.31 121.76 1q20 h LEU 156 Ca 0.39 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 1q20 h LEU 156 Cb 0.14 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1q20 h LEU 156 CO -0.16 0.61 -0.06 0.22 -0.34 0.00 0.00 178.44 178.71 1q20 h TYR 157 N 0.04 -0.15 -0.16 1.25 5.03 0.08 -2.00 116.97 121.06 1q20 h TYR 157 Ca -0.00 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 1q20 h TYR 157 Cb 1.01 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 39.33 1q20 h TYR 157 CO 0.00 0.12 -0.04 0.45 -1.32 0.00 0.00 178.16 177.38 1q20 h HIS 158 N -0.40 0.35 -0.93 -3.82 3.86 -1.46 -3.10 115.15 109.66 1q20 h HIS 158 Ca -0.02 -0.07 0.13 0.00 -1.16 0.00 0.00 60.37 59.25 1q20 h HIS 158 Cb 0.33 -0.09 -0.07 0.00 1.06 0.00 0.00 27.41 28.64 1q20 h HIS 158 CO 0.01 0.58 0.59 -0.92 0.86 0.00 0.00 177.93 179.05 1q20 h TYR 159 N 0.02 0.94 -0.37 2.45 3.20 -1.38 -1.50 116.97 120.34 1q20 h TYR 159 Ca 0.04 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1q20 h TYR 159 Cb 0.47 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1q20 h TYR 159 CO 0.05 0.37 0.19 0.77 -1.64 0.00 0.00 178.16 177.90 1q20 h SER 160 N 0.81 0.45 0.07 -2.11 0.02 -1.28 0.13 113.55 111.65 1q20 h SER 160 Ca 0.46 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.32 1q20 h SER 160 Cb 0.60 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1q20 h SER 160 CO -0.22 0.38 -0.20 0.11 -1.14 0.00 0.00 176.83 175.76 1q20 h LYS 161 N 0.51 0.24 -0.01 3.45 1.57 -1.30 -3.14 116.57 117.89 1q20 h LYS 161 Ca 0.13 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1q20 h LYS 161 Cb 0.04 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1q20 h LYS 161 CO -0.02 0.44 -0.56 0.44 -0.57 0.00 0.00 179.45 179.17 1q20 n ILE 162 N -4.21 0.00 -2.96 1.86 -5.35 -0.87 -4.93 119.36 102.91 1q20 n ILE 162 Ca -0.01 -0.22 -0.42 0.00 -0.27 0.00 0.00 62.75 61.84 1q20 n ILE 162 Cb 0.32 1.09 -0.05 0.00 -1.74 0.00 0.00 39.64 39.26 1q20 n ILE 162 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1q20 s ALA 163 N -2.24 3.57 0.31 -1.28 0.00 0.41 -1.15 121.76 121.38 1q20 s ALA 163 Ca 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1q20 s ALA 163 Cb 0.12 -3.26 0.52 0.00 0.00 0.00 0.00 23.12 20.51 1q20 s ALA 163 CO 0.54 -1.07 1.96 0.78 0.00 0.00 0.00 175.76 177.97 1q20 h GLY 164 N 9.31 1.14 2.00 0.00 0.00 -0.23 -2.68 103.07 112.60 1q20 h GLY 164 Ca -0.24 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.65 1q20 h GLY 164 CO 0.86 0.36 -0.15 0.06 0.00 0.00 0.00 176.54 177.67 1q20 h GLN 165 N 1.02 0.00 -5.98 4.80 -0.00 -1.86 -3.32 115.11 109.77 1q20 h GLN 165 Ca 0.32 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 58.35 1q20 h GLN 165 Cb -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.42 1q20 h GLN 165 CO -0.09 0.15 -0.26 -0.51 -0.00 0.00 0.00 178.83 178.13 1q20 s LEU 166 N -6.50 4.43 0.68 0.06 1.43 -1.01 -3.82 118.68 113.94 1q20 s LEU 166 Ca 0.02 0.84 -0.12 0.00 -1.03 0.00 0.00 54.13 53.84 1q20 s LEU 166 Cb 0.09 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1q20 s LEU 166 CO 0.62 0.30 1.06 -0.75 0.23 0.00 0.00 176.35 177.81 1q20 s LYS 167 N -1.30 2.99 0.42 1.70 2.20 -1.22 -4.74 119.74 119.79 1q20 s LYS 167 Ca 0.25 1.01 -0.27 0.00 -0.36 0.00 0.00 55.97 56.60 1q20 s LYS 167 Cb -0.15 -2.00 -0.10 0.00 -1.51 0.00 0.00 37.83 34.08 1q20 s LYS 167 CO 0.13 -1.06 1.46 0.34 -0.36 0.00 0.00 175.35 175.87 1q20 s ASP 168 N -3.59 6.08 0.25 1.43 2.15 -1.26 -4.78 116.67 116.94 1q20 s ASP 168 Ca 0.59 3.00 -0.04 0.00 0.43 0.00 0.00 52.55 56.53 1q20 s ASP 168 Cb -0.14 -2.66 0.30 0.00 -0.30 0.00 0.00 42.92 40.11 1q20 s ASP 168 CO 0.52 -1.05 1.78 -0.65 -0.17 0.00 0.00 175.17 175.60 1q20 h PRO 169 N 2.63 0.93 0.00 4.34 0.11 -1.86 -3.50 132.00 134.65 1q20 h PRO 169 Ca -0.51 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 65.39 1q20 h PRO 169 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1q20 h PRO 169 CO 0.62 0.84 0.00 0.41 -0.21 0.00 0.00 178.00 179.67 1q20 n GLY 170 N -0.76 -0.05 3.83 -0.55 0.00 -1.26 -3.98 105.19 102.42 1q20 n GLY 170 Ca 0.04 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.18 1q20 n GLY 170 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q20 s THR 171 N 0.00 4.34 0.29 2.61 -4.23 -1.26 -4.84 115.64 112.55 1q20 s THR 171 Ca 0.00 1.28 0.04 0.00 -1.18 0.00 0.00 61.69 61.83 1q20 s THR 171 Cb 0.00 -3.62 0.28 0.00 1.34 0.00 0.00 72.50 70.50 1q20 s THR 171 CO 0.00 -0.48 1.74 -0.65 -0.54 0.00 0.00 174.62 174.69 1q20 h PRO 172 N 1.33 0.58 -0.43 3.99 0.11 -1.98 0.68 132.00 136.28 1q20 h PRO 172 Ca -0.48 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.46 1q20 h PRO 172 Cb 1.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1q20 h PRO 172 CO 0.61 0.39 -0.26 0.22 -0.21 0.00 0.00 178.00 178.74 1q20 h ASP 173 N 0.60 0.94 0.21 -2.05 1.82 -1.96 -1.82 116.42 114.16 1q20 h ASP 173 Ca 0.55 -0.37 -0.20 0.00 -0.39 0.00 0.00 57.03 56.62 1q20 h ASP 173 Cb 0.92 -0.26 -0.00 0.00 0.68 0.00 0.00 39.33 40.67 1q20 h ASP 173 CO -0.43 1.14 -0.79 -0.61 -1.61 0.00 0.00 179.24 176.94 1q20 h GLN 174 N 0.77 0.47 -0.37 0.28 5.75 -1.57 -2.96 115.11 117.48 1q20 h GLN 174 Ca 0.09 -0.41 -0.07 0.00 -0.15 0.00 0.00 58.65 58.11 1q20 h GLN 174 Cb 0.83 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.45 1q20 h GLN 174 CO 0.07 1.05 -0.07 0.35 -2.65 0.00 0.00 178.83 177.58 1q20 h PHE 175 N 0.31 0.66 -0.39 3.99 3.04 -0.86 -2.39 116.94 121.29 1q20 h PHE 175 Ca -0.05 -0.10 -0.07 0.00 3.98 0.00 0.00 57.97 61.74 1q20 h PHE 175 Cb 1.39 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 39.70 1q20 h PHE 175 CO 0.05 0.67 -0.04 1.25 -2.02 0.00 0.00 178.31 178.23 1q20 h LEU 176 N 0.58 0.62 -0.44 0.59 5.85 -1.24 -1.00 115.31 120.27 1q20 h LEU 176 Ca 0.11 -0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 1q20 h LEU 176 Cb 0.47 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1q20 h LEU 176 CO 0.02 0.72 -0.28 0.03 -0.34 0.00 0.00 178.44 178.59 1q20 h ARG 177 N 0.61 0.97 -0.59 1.25 3.08 -1.31 -1.72 114.38 116.66 1q20 h ARG 177 Ca 0.12 -0.45 -0.05 0.00 0.07 0.00 0.00 59.98 59.67 1q20 h ARG 177 Cb 0.44 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1q20 h ARG 177 CO 0.02 1.12 0.18 -0.44 -1.07 0.00 0.00 179.97 179.78 1q20 h ASP 178 N 0.81 0.86 0.04 7.04 3.32 -1.11 -2.33 116.42 125.05 1q20 h ASP 178 Ca 0.09 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1q20 h ASP 178 Cb 0.86 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 1q20 h ASP 178 CO 0.08 0.84 -0.03 0.15 -1.72 0.00 0.00 179.24 178.56 1q20 h PHE 179 N 0.84 -0.07 0.00 4.55 3.57 -1.03 0.42 116.94 125.22 1q20 h PHE 179 Ca 0.19 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1q20 h PHE 179 Cb 0.29 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1q20 h PHE 179 CO 0.02 -0.04 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.97 1q20 h LEU 180 N -0.07 0.00 -1.70 0.59 3.38 -1.17 -0.65 115.31 115.68 1q20 h LEU 180 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1q20 h LEU 180 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1q20 h LEU 180 CO 0.00 0.02 0.00 0.29 0.09 0.00 0.00 178.44 178.84 1q20 n LYS 181 N -4.01 2.14 -1.35 1.13 5.02 -0.89 -4.92 118.16 115.27 1q20 n LYS 181 Ca -0.03 -1.69 -0.08 0.00 -2.02 0.00 0.00 58.31 54.49 1q20 n LYS 181 Cb 0.10 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 1q20 n LYS 181 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q20 n GLY 182 N 1.32 0.85 2.33 0.72 0.00 -0.25 -4.84 105.19 105.32 1q20 n GLY 182 Ca 0.17 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 1q20 n GLY 182 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q20 n GLU 183 N -2.64 2.25 -4.19 1.61 -0.58 0.14 -4.06 120.64 113.17 1q20 n GLU 183 Ca -0.08 -1.94 -0.13 0.00 -0.42 0.00 0.00 57.16 54.59 1q20 n GLU 183 Cb 0.30 -2.07 -0.09 0.00 -0.57 0.00 0.00 31.44 29.01 1q20 n GLU 183 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1q20 s VAL 184 N -1.41 0.00 0.26 2.62 -7.23 -1.26 -4.73 120.40 108.65 1q20 s VAL 184 Ca 0.59 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.52 1q20 s VAL 184 Cb 0.36 -2.48 -0.13 0.00 0.56 0.00 0.00 36.38 34.68 1q20 s VAL 184 CO -0.15 0.00 1.38 0.00 -0.31 0.00 0.00 175.10 176.01 1q20 n GLN 185 N -0.36 2.05 -1.11 4.82 10.64 -1.26 -1.59 117.38 130.56 1q20 n GLN 185 Ca 0.03 0.73 -0.04 0.00 -1.83 0.00 0.00 57.00 55.88 1q20 n GLN 185 Cb 0.65 -2.36 -0.02 0.00 -0.86 0.00 0.00 30.24 27.65 1q20 n GLN 185 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1q20 n PHE 186 N 1.57 0.00 -4.51 2.61 3.72 0.13 -4.88 117.46 116.10 1q20 n PHE 186 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1q20 n PHE 186 Cb 0.32 -1.36 0.00 0.00 -0.94 0.00 0.00 39.48 37.50 1q20 n PHE 186 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1q20 n GLY 187 N -1.27 -0.15 3.73 1.37 0.00 -0.62 -4.82 105.19 103.43 1q20 n GLY 187 Ca -0.04 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1q20 n GLY 187 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1q20 s SER 188 N -4.00 6.66 0.16 1.61 0.15 -1.26 -4.64 113.70 112.38 1q20 s SER 188 Ca 0.00 2.62 -0.11 0.00 0.70 0.00 0.00 55.95 59.16 1q20 s SER 188 Cb 0.00 -2.61 0.03 0.00 -1.71 0.00 0.00 66.02 61.73 1q20 s SER 188 CO 0.00 -0.73 1.61 -0.25 1.20 0.00 0.00 173.24 175.07 1q20 h TRP 189 N 5.67 1.04 0.16 3.44 7.01 -1.89 -1.42 115.95 129.95 1q20 h TRP 189 Ca -0.45 -0.18 0.00 0.00 2.11 0.00 0.00 58.89 60.37 1q20 h TRP 189 Cb 1.21 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 28.00 1q20 h TRP 189 CO 0.62 0.95 -0.13 0.74 -2.79 0.00 0.00 178.44 177.83 1q20 h PHE 190 N 0.82 -0.34 -0.75 2.65 -1.00 -1.95 -1.40 116.94 114.98 1q20 h PHE 190 Ca 0.15 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.90 1q20 h PHE 190 Cb 0.55 0.13 -0.03 0.00 3.61 0.00 0.00 35.95 40.20 1q20 h PHE 190 CO 0.04 -0.20 0.37 -0.44 -1.61 0.00 0.00 178.31 176.46 1q20 h ASP 191 N -0.30 0.98 0.37 2.17 3.45 -1.95 -1.08 116.42 120.05 1q20 h ASP 191 Ca -0.00 -0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.32 1q20 h ASP 191 Cb 0.27 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.77 1q20 h ASP 191 CO -0.02 0.83 -0.46 -0.74 -1.57 0.00 0.00 179.24 177.29 1q20 h HIS 192 N 1.05 -1.28 -0.20 4.55 2.76 -0.93 0.01 115.15 121.12 1q20 h HIS 192 Ca 0.26 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.33 1q20 h HIS 192 Cb 0.11 0.51 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 1q20 h HIS 192 CO 0.01 -0.59 -0.38 0.97 -1.30 0.00 0.00 177.93 176.64 1q20 h ILE 193 N -0.85 1.30 -0.54 6.26 2.10 -1.25 -2.48 117.51 122.05 1q20 h ILE 193 Ca -0.05 -1.50 -0.05 0.00 1.08 0.00 0.00 64.86 64.34 1q20 h ILE 193 Cb 0.76 1.56 -0.02 0.00 -1.09 0.00 0.00 36.82 38.02 1q20 h ILE 193 CO -0.10 0.47 0.13 0.11 -1.08 0.00 0.00 178.15 177.68 1q20 h LYS 194 N 0.38 0.86 0.04 2.19 1.57 -1.08 -1.81 116.57 118.71 1q20 h LYS 194 Ca 0.04 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1q20 h LYS 194 Cb 0.83 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1q20 h LYS 194 CO 0.07 0.81 -0.02 0.78 -0.57 0.00 0.00 179.45 180.52 1q20 h GLY 195 N 0.76 -0.06 1.94 3.86 0.00 -0.87 -3.14 103.07 105.56 1q20 h GLY 195 Ca 0.17 0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 1q20 h GLY 195 CO 0.00 -0.02 -0.20 1.49 0.00 0.00 0.00 176.54 177.81 1q20 h TRP 196 N -0.21 0.08 0.00 5.60 4.06 -1.42 -1.59 115.95 122.47 1q20 h TRP 196 Ca -0.01 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1q20 h TRP 196 Cb 0.19 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 1q20 h TRP 196 CO -0.02 0.28 0.00 1.28 -3.56 0.00 0.00 178.44 176.41 1q20 n LEU 197 N -4.27 0.00 0.00 -4.49 4.77 -0.69 -1.85 117.00 110.48 1q20 n LEU 197 Ca -0.02 0.41 0.06 0.00 -0.03 0.00 0.00 56.01 56.43 1q20 n LEU 197 Cb 0.28 -0.41 0.31 0.00 -2.33 0.00 0.00 43.42 41.28 1q20 n LEU 197 CO 0.37 -0.21 0.67 0.54 -1.33 0.00 0.00 177.39 177.43 1q20 n ARG 198 N -1.41 0.14 0.00 3.23 1.74 -0.60 -1.38 116.66 118.38 1q20 n ARG 198 Ca 0.05 0.20 0.12 0.00 -0.77 0.00 0.00 57.85 57.44 1q20 n ARG 198 Cb 0.14 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.28 1q20 n ARG 198 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1q20 n MET 199 N -1.34 0.34 -1.65 5.56 2.81 -0.77 -4.93 117.12 117.14 1q20 n MET 199 Ca 0.05 -0.23 -0.47 0.00 -1.81 0.00 0.00 57.70 55.25 1q20 n MET 199 Cb 0.12 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.09 1q20 n MET 199 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1q20 n LYS 200 N -1.13 1.86 0.00 0.03 4.81 -0.48 -2.01 118.16 121.24 1q20 n LYS 200 Ca 0.07 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 1q20 n LYS 200 Cb 0.35 -2.35 0.00 0.00 0.02 0.00 0.00 35.03 33.05 1q20 n LYS 200 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1q20 n GLY 201 N 2.66 2.63 3.77 3.14 0.00 -1.26 -5.08 105.19 111.04 1q20 n GLY 201 Ca 0.15 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 1q20 n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q20 s LYS 202 N 0.00 3.99 0.03 1.61 1.02 -0.85 -4.91 119.74 120.63 1q20 s LYS 202 Ca 0.00 2.07 0.27 0.00 0.02 0.00 0.00 55.97 58.33 1q20 s LYS 202 Cb 0.00 -2.74 1.11 0.00 -0.52 0.00 0.00 37.83 35.68 1q20 s LYS 202 CO 0.00 -0.44 1.85 -0.40 -0.92 0.00 0.00 175.35 175.44 1q20 n ASP 203 N 0.12 0.09 -1.92 2.83 5.68 -1.26 -3.08 116.55 119.02 1q20 n ASP 203 Ca 0.04 0.51 -0.19 0.00 -0.50 0.00 0.00 54.79 54.65 1q20 n ASP 203 Cb 0.44 -0.54 0.17 0.00 -1.14 0.00 0.00 41.12 40.06 1q20 n ASP 203 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1q20 n ASN 204 N -1.59 3.82 -3.78 -1.12 6.94 -1.26 -4.89 115.26 113.38 1q20 n ASN 204 Ca 0.06 -3.69 -0.13 0.00 -0.02 0.00 0.00 54.58 50.80 1q20 n ASN 204 Cb 0.33 -0.78 -0.14 0.00 -2.36 0.00 0.00 39.78 36.83 1q20 n ASN 204 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1q20 s PHE 205 N -3.36 -0.12 -0.06 -2.53 5.36 -1.18 -1.76 117.98 114.33 1q20 s PHE 205 Ca 0.54 0.37 0.01 0.00 -0.96 0.00 0.00 56.93 56.89 1q20 s PHE 205 Cb 0.46 -0.06 0.02 0.00 -0.34 0.00 0.00 43.02 43.10 1q20 s PHE 205 CO 0.06 -0.12 -0.07 -1.17 -1.46 0.00 0.00 175.22 172.46 1q20 s LEU 206 N 0.75 1.39 -0.23 6.12 2.96 -0.04 -4.80 118.68 124.82 1q20 s LEU 206 Ca -0.06 -0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 53.58 1q20 s LEU 206 Cb -0.08 -0.63 -0.02 0.00 0.50 0.00 0.00 46.19 45.96 1q20 s LEU 206 CO -0.03 -0.04 0.03 0.12 -1.32 0.00 0.00 176.35 175.11 1q20 s PHE 207 N 0.97 3.05 0.05 5.38 5.36 -1.26 0.28 117.98 131.81 1q20 s PHE 207 Ca -0.10 -0.52 -0.01 0.00 -0.96 0.00 0.00 56.93 55.34 1q20 s PHE 207 Cb -0.15 -2.16 -0.03 0.00 -0.34 0.00 0.00 43.02 40.34 1q20 s PHE 207 CO 0.00 -0.35 -0.02 -1.50 -1.46 0.00 0.00 175.22 171.90 1q20 s ILE 208 N 1.37 0.19 0.16 3.12 2.07 -0.29 -4.98 121.20 122.84 1q20 s ILE 208 Ca 0.05 -1.59 0.11 0.00 -1.41 0.00 0.00 60.65 57.80 1q20 s ILE 208 Cb -0.15 -1.26 -0.04 0.00 0.13 0.00 0.00 42.46 41.14 1q20 s ILE 208 CO 0.02 -0.88 -0.24 0.42 -1.91 0.00 0.00 174.94 172.35 1q20 s THR 209 N -3.42 2.41 0.33 4.00 -4.23 -1.26 -1.33 115.64 112.15 1q20 s THR 209 Ca 0.02 -1.84 0.07 0.00 -1.18 0.00 0.00 61.69 58.76 1q20 s THR 209 Cb 0.04 -2.12 0.32 0.00 1.34 0.00 0.00 72.50 72.08 1q20 s THR 209 CO -0.08 -0.01 1.83 0.22 -0.54 0.00 0.00 174.62 176.04 1q20 h TYR 210 N 3.52 0.93 -0.59 3.99 3.20 -1.04 0.12 116.97 127.10 1q20 h TYR 210 Ca -0.49 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.36 1q20 h TYR 210 Cb 1.19 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 1q20 h TYR 210 CO 0.64 0.30 0.18 0.93 -1.64 0.00 0.00 178.16 178.56 1q20 h GLU 211 N 0.75 0.89 -0.38 1.82 3.07 -1.95 -2.12 114.58 116.65 1q20 h GLU 211 Ca 0.50 -0.17 -0.16 0.00 -0.50 0.00 0.00 59.36 59.03 1q20 h GLU 211 Cb 0.78 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 1q20 h GLU 211 CO -0.27 0.77 -0.38 0.93 -1.40 0.00 0.00 179.01 178.66 1q20 h GLU 212 N 0.86 0.94 -0.08 2.33 5.08 -1.37 -1.12 114.58 121.22 1q20 h GLU 212 Ca 0.19 -0.49 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 1q20 h GLU 212 Cb 0.26 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1q20 h GLU 212 CO -0.01 1.15 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.88 1q20 h LEU 213 N 0.76 0.12 -0.34 1.33 4.07 -1.24 -0.93 115.31 119.07 1q20 h LEU 213 Ca 0.06 -0.03 -0.19 0.00 0.08 0.00 0.00 57.88 57.80 1q20 h LEU 213 Cb 0.98 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.68 1q20 h LEU 213 CO 0.09 0.34 -0.80 1.56 -1.08 0.00 0.00 178.44 178.55 1q20 h GLN 214 N 0.12 0.35 0.00 1.13 1.08 -1.15 -2.73 115.11 113.91 1q20 h GLN 214 Ca 0.02 -0.32 -0.27 0.00 -1.45 0.00 0.00 58.65 56.63 1q20 h GLN 214 Cb 0.43 0.08 0.02 0.00 -0.05 0.00 0.00 27.48 27.96 1q20 h GLN 214 CO 0.03 0.98 -1.05 0.37 -0.95 0.00 0.00 178.83 178.22 1q20 h GLN 215 N 0.22 0.70 -1.46 1.46 4.15 -0.70 -3.42 115.11 116.06 1q20 h GLN 215 Ca -0.04 -0.76 -0.21 0.00 0.77 0.00 0.00 58.65 58.41 1q20 h GLN 215 Cb 1.40 0.22 -0.25 0.00 0.21 0.00 0.00 27.48 29.05 1q20 h GLN 215 CO 0.13 1.33 -0.57 0.34 -1.93 0.00 0.00 178.83 178.13 1q20 s ASP 216 N -7.29 -0.24 0.14 -0.69 2.15 -0.40 -5.04 116.67 105.30 1q20 s ASP 216 Ca -0.10 -1.23 -0.14 0.00 0.43 0.00 0.00 52.55 51.52 1q20 s ASP 216 Cb 0.07 1.28 0.01 0.00 -0.30 0.00 0.00 42.92 43.97 1q20 s ASP 216 CO 0.92 -0.21 1.61 0.25 -0.17 0.00 0.00 175.17 177.58 1q20 h LEU 217 N 6.93 0.74 -0.23 -1.34 5.85 -1.68 -0.72 115.31 124.87 1q20 h LEU 217 Ca 0.06 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1q20 h LEU 217 Cb 1.12 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1q20 h LEU 217 CO 0.15 0.83 0.11 -0.61 -0.34 0.00 0.00 178.44 178.57 1q20 h GLN 218 N 0.63 0.34 -0.65 1.25 4.15 -1.95 -0.30 115.11 118.58 1q20 h GLN 218 Ca 0.14 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.57 1q20 h GLN 218 Cb 0.41 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.99 1q20 h GLN 218 CO 0.01 0.36 0.34 0.78 -1.93 0.00 0.00 178.83 178.39 1q20 h GLY 219 N 0.24 0.94 1.06 2.39 0.00 -1.93 -0.65 103.07 105.12 1q20 h GLY 219 Ca 0.08 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 1q20 h GLY 219 CO -0.01 0.13 0.25 1.76 0.00 0.00 0.00 176.54 178.67 1q20 h SER 220 N 0.63 1.09 -0.86 0.19 0.02 -0.83 -2.23 113.55 111.57 1q20 h SER 220 Ca 0.29 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1q20 h SER 220 Cb 0.21 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1q20 h SER 220 CO -0.19 1.00 0.45 0.58 -1.14 0.00 0.00 176.83 177.52 1q20 h VAL 221 N 1.12 1.26 -0.60 2.27 2.07 -0.11 -1.08 116.25 121.17 1q20 h VAL 221 Ca 0.25 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 1q20 h VAL 221 Cb 0.29 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1q20 h VAL 221 CO -0.01 0.30 0.07 -0.33 0.02 0.00 0.00 177.57 177.62 1q20 h GLU 222 N 1.21 1.00 -0.68 1.57 5.08 -0.84 -0.85 114.58 121.07 1q20 h GLU 222 Ca 0.30 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 1q20 h GLU 222 Cb 0.06 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1q20 h GLU 222 CO -0.04 0.94 0.12 0.00 -1.00 0.00 0.00 179.01 179.03 1q20 h ARG 223 N 0.93 1.12 0.00 2.33 3.08 -0.82 -0.67 114.38 120.36 1q20 h ARG 223 Ca 0.18 -0.30 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 1q20 h ARG 223 Cb 0.45 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1q20 h ARG 223 CO 0.02 1.02 -0.42 0.82 -1.07 0.00 0.00 179.97 180.34 1q20 h ILE 224 N 1.05 1.08 -0.14 2.04 2.04 -0.88 -0.74 117.51 121.96 1q20 h ILE 224 Ca 0.21 -1.55 -0.12 0.00 1.00 0.00 0.00 64.86 64.40 1q20 h ILE 224 Cb 0.43 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1q20 h ILE 224 CO 0.01 0.41 -0.38 0.00 0.00 0.00 0.00 178.15 178.18 1q20 h GLY 226 N 0.13 -0.08 0.44 0.00 0.00 -0.94 0.21 103.07 102.83 1q20 h GLY 226 Ca -0.01 0.03 0.12 0.00 0.00 0.00 0.00 47.33 47.47 1q20 h GLY 226 CO 0.08 -0.03 0.57 -2.75 0.00 0.00 0.00 176.54 174.41 1q20 h PHE 227 N -0.13 1.02 0.00 5.60 3.57 -1.14 -1.00 116.94 124.86 1q20 h PHE 227 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1q20 h PHE 227 Cb 0.11 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.53 1q20 h PHE 227 CO -0.06 0.39 -0.25 1.28 -2.23 0.00 0.00 178.31 177.44 1q20 n LEU 228 N -4.69 0.56 -1.35 0.59 4.77 -0.71 -4.94 117.00 111.23 1q20 n LEU 228 Ca 0.17 0.38 -0.07 0.00 -0.03 0.00 0.00 56.01 56.46 1q20 n LEU 228 Cb 0.35 -0.31 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1q20 n LEU 228 CO 0.26 -0.06 0.06 0.61 -1.33 0.00 0.00 177.39 176.94 1q20 n GLY 229 N 1.39 0.52 2.47 -0.72 0.00 0.46 -5.02 105.19 104.29 1q20 n GLY 229 Ca 0.05 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 1q20 n GLY 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q20 n ARG 230 N -1.77 0.76 -1.52 1.61 1.74 0.37 -5.03 116.66 112.82 1q20 n ARG 230 Ca -0.00 -3.56 -0.35 0.00 -0.77 0.00 0.00 57.85 53.17 1q20 n ARG 230 Cb 0.52 -1.77 0.09 0.00 -1.02 0.00 0.00 32.46 30.27 1q20 n ARG 230 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1q20 s PRO 231 N -0.61 2.24 0.01 5.56 0.02 -1.26 -4.69 135.00 136.26 1q20 s PRO 231 Ca 0.32 1.90 0.01 0.00 0.02 0.00 0.00 61.00 63.24 1q20 s PRO 231 Cb 0.05 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.73 1q20 s PRO 231 CO -0.17 -1.80 -0.03 -0.51 -0.33 0.00 0.00 177.00 174.17 1q20 s LEU 232 N -4.89 2.12 0.85 -5.54 1.43 -1.26 -5.10 118.68 106.29 1q20 s LEU 232 Ca 0.78 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.50 1q20 s LEU 232 Cb -0.33 -0.03 0.10 0.00 0.03 0.00 0.00 46.19 45.97 1q20 s LEU 232 CO 0.43 -0.12 1.10 -0.83 0.23 0.00 0.00 176.35 177.16 1q20 s GLY 233 N -0.73 1.61 0.50 -3.19 0.00 -1.26 -4.72 107.32 99.53 1q20 s GLY 233 Ca -0.07 -0.18 0.25 0.00 0.00 0.00 0.00 44.72 44.73 1q20 s GLY 233 CO -0.00 0.29 1.91 0.50 0.00 0.00 0.00 173.10 175.79 1q20 h LYS 234 N -1.34 0.13 0.43 2.90 1.79 -2.01 -0.59 116.57 117.89 1q20 h LYS 234 Ca -0.49 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 57.96 1q20 h LYS 234 Cb 1.28 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1q20 h LYS 234 CO 0.58 0.09 -0.21 0.93 -1.08 0.00 0.00 179.45 179.76 1q20 h GLU 235 N 0.14 -0.56 -0.85 3.15 4.39 -1.99 -2.01 114.58 116.85 1q20 h GLU 235 Ca 0.39 0.04 0.06 0.00 0.34 0.00 0.00 59.36 60.19 1q20 h GLU 235 Cb 1.33 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 30.05 1q20 h GLU 235 CO -0.06 -0.37 0.56 0.00 -1.16 0.00 0.00 179.01 177.97 1q20 h ALA 236 N -1.34 1.55 0.79 3.43 0.00 -1.74 -1.56 119.26 120.37 1q20 h ALA 236 Ca -0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1q20 h ALA 236 Cb 0.45 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1q20 h ALA 236 CO 0.10 0.33 -0.39 1.25 0.00 0.00 0.00 179.25 180.54 1q20 h LEU 237 N 0.97 -0.93 -1.80 0.00 6.46 -1.19 -0.25 115.31 118.57 1q20 h LEU 237 Ca 0.36 0.04 0.17 0.00 -0.12 0.00 0.00 57.88 58.32 1q20 h LEU 237 Cb 0.18 0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 40.32 1q20 h LEU 237 CO -0.13 -0.65 0.47 1.23 -0.62 0.00 0.00 178.44 178.74 1q20 h GLY 238 N -1.07 0.34 0.57 3.75 0.00 -0.96 -1.27 103.07 104.43 1q20 h GLY 238 Ca -0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1q20 h GLY 238 CO 0.17 0.02 -0.04 0.23 0.00 0.00 0.00 176.54 176.92 1q20 h SER 239 N 0.19 0.11 -0.72 0.19 0.87 -0.74 -0.41 113.55 113.05 1q20 h SER 239 Ca 0.33 -0.50 0.11 0.00 -1.23 0.00 0.00 61.79 60.51 1q20 h SER 239 Cb 1.03 -0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.88 1q20 h SER 239 CO -0.06 0.58 0.33 0.58 -0.53 0.00 0.00 176.83 177.73 1q20 h VAL 240 N -0.36 0.78 0.02 2.23 2.07 0.01 -0.95 116.25 120.05 1q20 h VAL 240 Ca 0.01 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1q20 h VAL 240 Cb 0.55 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1q20 h VAL 240 CO 0.01 0.10 -0.01 0.58 0.02 0.00 0.00 177.57 178.27 1q20 h VAL 241 N 0.54 1.10 -0.27 2.57 2.07 -1.22 -1.81 116.25 119.24 1q20 h VAL 241 Ca 0.37 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.57 1q20 h VAL 241 Cb 0.46 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1q20 h VAL 241 CO -0.32 0.09 0.05 0.00 0.02 0.00 0.00 177.57 177.41 1q20 h ALA 242 N 0.79 0.27 0.00 1.67 0.00 -0.38 -2.49 119.26 119.13 1q20 h ALA 242 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1q20 h ALA 242 Cb 0.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1q20 h ALA 242 CO 0.00 -0.37 0.00 0.72 0.00 0.00 0.00 179.25 179.61 1q20 n HIS 243 N -5.09 0.62 0.84 0.00 8.25 -0.42 -3.21 115.22 116.20 1q20 n HIS 243 Ca -0.01 0.20 0.12 0.00 -0.26 0.00 0.00 57.72 57.77 1q20 n HIS 243 Cb 0.12 -0.83 0.20 0.00 1.12 0.00 0.00 29.99 30.60 1q20 n HIS 243 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1q20 n SER 244 N -2.03 0.56 -4.75 0.41 7.64 -0.68 -4.19 113.62 110.59 1q20 n SER 244 Ca 0.05 -0.15 -0.37 0.00 1.01 0.00 0.00 58.87 59.41 1q20 n SER 244 Cb 0.33 0.29 0.04 0.00 -1.01 0.00 0.00 64.21 63.86 1q20 n SER 244 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1q20 s THR 245 N -3.07 2.32 0.15 0.44 2.01 -1.10 -4.79 115.64 111.62 1q20 s THR 245 Ca 0.09 0.22 -0.20 0.00 0.31 0.00 0.00 61.69 62.10 1q20 s THR 245 Cb 0.16 -3.10 0.05 0.00 0.01 0.00 0.00 72.50 69.62 1q20 s THR 245 CO 0.72 -0.03 1.65 0.15 -0.69 0.00 0.00 174.62 176.41 1q20 h PHE 246 N 1.07 -0.46 -0.75 4.92 3.57 -1.92 -0.91 116.94 122.46 1q20 h PHE 246 Ca -0.51 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.08 1q20 h PHE 246 Cb 1.31 0.25 -0.05 0.00 2.79 0.00 0.00 35.95 40.24 1q20 h PHE 246 CO 0.45 -0.26 0.45 0.66 -2.23 0.00 0.00 178.31 177.38 1q20 h SER 247 N -0.15 0.71 -0.48 0.41 4.64 -1.95 0.13 113.55 116.85 1q20 h SER 247 Ca 0.15 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.44 1q20 h SER 247 Cb 0.39 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1q20 h SER 247 CO -0.39 0.47 0.09 0.00 -0.87 0.00 0.00 176.83 176.13 1q20 h ALA 248 N 1.35 0.64 -0.10 5.18 0.00 -1.71 -2.76 119.26 121.85 1q20 h ALA 248 Ca 0.32 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1q20 h ALA 248 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1q20 h ALA 248 CO -0.16 0.35 -0.58 0.52 0.00 0.00 0.00 179.25 179.39 1q20 h MET 249 N 0.66 0.33 0.00 0.00 2.07 -0.84 -2.84 114.93 114.31 1q20 h MET 249 Ca 0.15 -0.22 -0.05 0.00 -2.07 0.00 0.00 59.70 57.50 1q20 h MET 249 Cb 0.37 0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.12 1q20 h MET 249 CO 0.01 0.82 -0.26 -0.22 1.07 0.00 0.00 176.91 178.33 1q20 h LYS 250 N 0.25 0.00 -0.01 1.72 1.63 -0.63 -2.48 116.57 117.04 1q20 h LYS 250 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1q20 h LYS 250 Cb 1.09 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 1q20 h LYS 250 CO 0.10 0.26 -0.10 0.00 -3.45 0.00 0.00 179.45 176.26 1q20 n ALA 251 N -2.44 2.77 -3.00 5.00 0.00 -1.05 -4.79 120.51 117.00 1q20 n ALA 251 Ca -0.02 -0.41 -0.44 0.00 0.00 0.00 0.00 53.44 52.56 1q20 n ALA 251 Cb 0.32 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 1q20 n ALA 251 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1q20 s ASN 252 N -2.21 6.19 0.55 0.00 2.47 -0.93 -4.93 114.94 116.08 1q20 s ASN 252 Ca 0.33 -1.28 0.36 0.00 0.42 0.00 0.00 52.86 52.69 1q20 s ASN 252 Cb 0.20 -2.29 1.53 0.00 -1.45 0.00 0.00 41.25 39.25 1q20 s ASN 252 CO 0.41 -1.02 1.81 0.74 -3.72 0.00 0.00 177.10 175.32 1q20 h THR 253 N 5.90 0.41 0.00 -5.21 2.02 -1.86 0.25 112.91 114.42 1q20 h THR 253 Ca -0.29 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.84 1q20 h THR 253 Cb 1.09 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1q20 h THR 253 CO 1.05 0.00 -0.28 0.24 0.37 0.00 0.00 175.52 176.90 1q20 h MET 254 N 0.00 0.00 0.00 6.66 2.86 -1.83 -3.36 114.93 119.26 1q20 h MET 254 Ca 0.53 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.17 1q20 h MET 254 Cb 2.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.83 1q20 h MET 254 CO -0.01 0.24 -1.59 0.43 1.06 0.00 0.00 176.91 177.05 1q20 n SER 255 N -3.15 1.40 -0.70 1.22 7.64 0.68 -1.35 113.62 119.36 1q20 n SER 255 Ca 0.03 -0.10 0.09 0.00 1.01 0.00 0.00 58.87 59.90 1q20 n SER 255 Cb 0.63 1.62 0.28 0.00 -1.01 0.00 0.00 64.21 65.74 1q20 n SER 255 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1q20 n ASN 256 N -1.96 2.09 0.00 6.43 0.23 -0.04 -4.93 115.26 117.09 1q20 n ASN 256 Ca -0.02 -1.85 0.00 0.00 -0.53 0.00 0.00 54.58 52.18 1q20 n ASN 256 Cb 0.38 -0.19 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 1q20 n ASN 256 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1q20 n TYR 257 N 0.61 0.00 1.13 -2.53 4.01 -1.26 -4.52 117.16 114.60 1q20 n TYR 257 Ca 0.16 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.99 1q20 n TYR 257 Cb 0.37 -1.16 0.55 0.00 -0.31 0.00 0.00 39.34 38.79 1q20 n TYR 257 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1q20 n THR 258 N -2.41 0.14 0.84 -0.72 -2.24 -1.26 -2.75 114.28 105.87 1q20 n THR 258 Ca 0.00 0.04 0.11 0.00 -2.27 0.00 0.00 64.05 61.93 1q20 n THR 258 Cb 0.29 -0.72 0.12 0.00 -2.10 0.00 0.00 70.33 67.92 1q20 n THR 258 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1q20 n LEU 259 N -1.09 0.63 -4.77 3.22 4.77 -1.26 -4.94 117.00 113.55 1q20 n LEU 259 Ca 0.13 -0.06 -0.34 0.00 -0.03 0.00 0.00 56.01 55.71 1q20 n LEU 259 Cb 0.10 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1q20 n LEU 259 CO 0.12 0.11 0.76 -0.76 -1.33 0.00 0.00 177.39 176.29 1q20 s LEU 260 N -3.37 3.60 0.36 2.23 1.43 -1.11 -4.97 118.68 116.86 1q20 s LEU 260 Ca 0.08 2.09 -0.27 0.00 -1.03 0.00 0.00 54.13 54.99 1q20 s LEU 260 Cb 0.16 -4.57 -0.12 0.00 0.03 0.00 0.00 46.19 41.70 1q20 s LEU 260 CO 0.76 -1.36 1.32 -2.65 0.23 0.00 0.00 176.35 174.65 1q20 n PRO 261 N -1.75 2.19 -0.14 1.29 -0.02 -1.26 -4.76 135.00 130.55 1q20 n PRO 261 Ca 0.11 0.77 0.17 0.00 -2.02 0.00 0.00 63.50 62.53 1q20 n PRO 261 Cb 0.51 -2.40 0.55 0.00 -0.02 0.00 0.00 33.50 32.14 1q20 n PRO 261 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1q20 h PRO 262 N 2.53 0.31 0.00 0.52 0.11 -1.94 0.14 132.00 133.67 1q20 h PRO 262 Ca -0.47 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1q20 h PRO 262 Cb 1.28 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1q20 h PRO 262 CO 0.62 0.20 -0.30 0.66 -0.21 0.00 0.00 178.00 178.97 1q20 h SER 263 N 0.32 0.00 0.19 -2.05 4.64 -1.89 -2.74 113.55 112.01 1q20 h SER 263 Ca 0.36 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.38 1q20 h SER 263 Cb 0.95 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.06 1q20 h SER 263 CO -0.10 0.30 -1.42 0.25 -0.87 0.00 0.00 176.83 175.00 1q20 h LEU 264 N 0.00 0.62 -7.05 5.97 5.85 -1.22 -3.32 115.31 116.16 1q20 h LEU 264 Ca -0.00 -0.92 -0.36 0.00 0.84 0.00 0.00 57.88 57.43 1q20 h LEU 264 Cb 0.67 -0.20 -0.38 0.00 0.37 0.00 0.00 40.66 41.12 1q20 h LEU 264 CO 0.04 1.66 -0.68 -0.22 -0.34 0.00 0.00 178.44 178.89 1q20 s LEU 265 N -7.56 0.07 -1.15 2.25 2.96 -0.66 0.33 118.68 114.92 1q20 s LEU 265 Ca -0.14 -0.17 -0.21 0.00 -0.22 0.00 0.00 54.13 53.39 1q20 s LEU 265 Cb 0.04 0.09 0.00 0.00 0.50 0.00 0.00 46.19 46.82 1q20 s LEU 265 CO 0.86 -0.30 1.76 -0.62 -1.32 0.00 0.00 176.35 176.73 1q20 s ASP 266 N 2.24 6.01 0.48 3.68 2.15 -0.30 -4.17 116.67 126.75 1q20 s ASP 266 Ca 0.04 -1.75 0.16 0.00 0.43 0.00 0.00 52.55 51.43 1q20 s ASP 266 Cb -0.14 -2.58 1.16 0.00 -0.30 0.00 0.00 42.92 41.06 1q20 s ASP 266 CO -0.08 -2.01 2.05 0.45 -0.17 0.00 0.00 175.17 175.40 1q20 h HIS 267 N 9.20 0.21 -0.43 -5.34 3.86 -1.81 -0.80 115.15 120.04 1q20 h HIS 267 Ca 0.28 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 1q20 h HIS 267 Cb 0.94 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.32 1q20 h HIS 267 CO 1.31 0.11 0.25 -0.09 0.86 0.00 0.00 177.93 180.37 1q20 h ARG 268 N 0.21 0.58 0.00 2.45 9.65 -1.95 -3.21 114.38 122.12 1q20 h ARG 268 Ca 0.17 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 58.93 1q20 h ARG 268 Cb 0.39 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 1q20 h ARG 268 CO -0.03 0.42 -2.04 0.54 2.80 0.00 0.00 179.97 181.66 1q20 n ARG 269 N -4.43 0.66 -3.94 0.20 3.00 -0.38 -5.07 116.66 106.70 1q20 n ARG 269 Ca 0.03 -0.15 0.02 0.00 -0.01 0.00 0.00 57.85 57.74 1q20 n ARG 269 Cb 0.09 -1.53 0.01 0.00 0.00 0.00 0.00 32.46 31.03 1q20 n ARG 269 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1q20 s GLY 270 N -4.69 -0.13 0.13 -0.13 0.00 -0.74 -5.05 107.32 96.72 1q20 s GLY 270 Ca -0.08 0.06 0.10 0.00 0.00 0.00 0.00 44.72 44.80 1q20 s GLY 270 CO 0.89 4.65 -0.24 0.00 0.00 0.00 0.00 173.10 178.40 1q20 s ALA 271 N -2.08 2.21 0.09 3.20 0.00 -1.26 -4.10 121.76 119.82 1q20 s ALA 271 Ca 0.27 -1.43 -0.19 0.00 0.00 0.00 0.00 51.96 50.61 1q20 s ALA 271 Cb -0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 23.12 22.72 1q20 s ALA 271 CO -0.00 0.45 1.59 0.35 0.00 0.00 0.00 175.76 178.15 1q20 h PHE 272 N 3.79 0.40 -2.19 0.00 3.57 -1.96 -3.23 116.94 117.31 1q20 h PHE 272 Ca -0.48 -0.04 -0.72 0.00 3.53 0.00 0.00 57.97 60.25 1q20 h PHE 272 Cb 1.18 -0.11 -0.17 0.00 2.79 0.00 0.00 35.95 39.64 1q20 h PHE 272 CO 0.62 0.46 1.23 -0.51 -2.23 0.00 0.00 178.31 177.88 1q20 s LEU 273 N -9.70 5.00 0.00 0.59 1.43 -1.26 -4.86 118.68 109.88 1q20 s LEU 273 Ca -0.14 -2.68 -0.00 0.00 -1.03 0.00 0.00 54.13 50.28 1q20 s LEU 273 Cb 0.08 -2.41 -0.00 0.00 0.03 0.00 0.00 46.19 43.89 1q20 s LEU 273 CO 0.73 -0.86 0.68 -0.09 0.23 0.00 0.00 176.35 177.03 1q20 h ARG 274 N 7.70 -0.01 0.00 1.70 2.43 -2.00 -3.46 114.38 120.73 1q20 h ARG 274 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1q20 h ARG 274 Cb 0.92 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1q20 h ARG 274 CO 1.21 -0.01 -0.76 1.63 -1.51 0.00 0.00 179.97 180.53 1q20 n LYS 275 N -2.05 0.00 -2.65 0.20 5.02 -1.26 -5.02 118.16 112.40 1q20 n LYS 275 Ca -0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1q20 n LYS 275 Cb 0.01 -0.76 0.02 0.00 -0.02 0.00 0.00 35.03 34.28 1q20 n LYS 275 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q20 n GLY 276 N 2.93 0.17 3.58 0.72 0.00 -1.26 -5.05 105.19 106.28 1q20 n GLY 276 Ca 0.00 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 1q20 n GLY 276 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1q20 s VAL 277 N -2.86 0.74 -0.06 1.61 -7.23 -1.26 -5.00 120.40 106.34 1q20 s VAL 277 Ca 0.15 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.31 1q20 s VAL 277 Cb -0.07 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 1q20 s VAL 277 CO 0.19 0.00 0.02 0.00 -0.31 0.00 0.00 175.10 175.00 1q20 n GLY 279 N 1.83 0.64 0.09 0.00 0.00 -1.26 -4.92 105.19 101.57 1q20 n GLY 279 Ca -0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.91 1q20 n GLY 279 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q20 n ASP 280 N 0.00 0.32 -0.05 1.61 4.64 -1.26 -1.68 116.55 120.12 1q20 n ASP 280 Ca 0.00 0.64 -0.01 0.00 -1.38 0.00 0.00 54.79 54.04 1q20 n ASP 280 Cb 0.00 -0.68 0.26 0.00 -1.04 0.00 0.00 41.12 39.66 1q20 n ASP 280 CO 0.00 0.00 0.00 4.11 -0.82 0.00 0.00 177.20 180.49 1q20 h TRP 281 N 0.00 0.66 0.00 -0.67 5.08 -1.91 -2.12 115.95 116.98 1q20 h TRP 281 Ca 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 58.89 59.91 1q20 h TRP 281 Cb 0.04 -0.19 0.00 0.00 -3.00 0.00 0.00 29.16 26.00 1q20 h TRP 281 CO 0.00 0.60 0.00 0.87 -1.28 0.00 0.00 178.44 178.63 1q20 h LYS 282 N 0.62 0.00 -0.02 0.12 1.57 -1.66 0.30 116.57 117.49 1q20 h LYS 282 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1q20 h LYS 282 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1q20 h LYS 282 CO 0.01 0.00 -0.10 0.09 -0.57 0.00 0.00 179.45 178.88 1q20 n ASN 283 N -2.58 2.14 -0.01 0.86 3.02 -0.80 -4.47 115.26 113.42 1q20 n ASN 283 Ca -0.02 -1.64 -0.02 0.00 -0.03 0.00 0.00 54.58 52.88 1q20 n ASN 283 Cb 0.08 0.08 -0.01 0.00 -0.61 0.00 0.00 39.78 39.32 1q20 n ASN 283 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1q20 n HIS 284 N 0.54 0.00 -2.66 3.10 8.25 0.81 -5.02 115.22 120.24 1q20 n HIS 284 Ca 0.15 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.20 1q20 n HIS 284 Cb 0.47 -0.09 -0.04 0.00 1.12 0.00 0.00 29.99 31.45 1q20 n HIS 284 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1q20 s PHE 285 N -2.05 3.74 0.76 4.41 0.40 0.23 -5.05 117.98 120.42 1q20 s PHE 285 Ca -0.03 1.73 -0.10 0.00 -0.60 0.00 0.00 56.93 57.93 1q20 s PHE 285 Cb 0.01 -3.13 0.07 0.00 0.51 0.00 0.00 43.02 40.47 1q20 s PHE 285 CO 0.06 -0.07 1.11 0.95 0.70 0.00 0.00 175.22 177.97 1q20 s THR 286 N -0.02 2.28 0.24 0.64 -4.23 -1.26 -4.84 115.64 108.44 1q20 s THR 286 Ca 0.48 -0.03 -0.05 0.00 -1.18 0.00 0.00 61.69 60.91 1q20 s THR 286 Cb -0.25 -3.06 0.17 0.00 1.34 0.00 0.00 72.50 70.70 1q20 s THR 286 CO 0.31 -0.08 1.82 0.58 -0.54 0.00 0.00 174.62 176.71 1q20 h VAL 287 N -0.86 1.25 -0.64 2.29 2.07 -1.98 -0.90 116.25 117.48 1q20 h VAL 287 Ca -0.45 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.26 1q20 h VAL 287 Cb 1.32 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1q20 h VAL 287 CO 0.64 0.31 0.25 0.00 0.02 0.00 0.00 177.57 178.80 1q20 h ALA 288 N 1.25 0.83 -0.34 1.67 0.00 -1.99 -0.27 119.26 120.41 1q20 h ALA 288 Ca 0.25 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1q20 h ALA 288 Cb 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1q20 h ALA 288 CO -0.02 0.44 -0.15 1.96 0.00 0.00 0.00 179.25 181.48 1q20 h GLN 289 N 0.89 0.62 -0.63 0.00 4.20 -1.84 -1.51 115.11 116.83 1q20 h GLN 289 Ca 0.21 -0.21 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 1q20 h GLN 289 Cb 0.21 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1q20 h GLN 289 CO -0.02 0.75 0.05 1.03 -0.67 0.00 0.00 178.83 179.97 1q20 h SER 290 N 0.56 1.05 -0.18 1.46 0.87 -0.60 -1.00 113.55 115.71 1q20 h SER 290 Ca 0.09 -0.29 -0.15 0.00 -1.23 0.00 0.00 61.79 60.22 1q20 h SER 290 Cb 0.59 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1q20 h SER 290 CO 0.04 1.08 -0.42 -0.33 -0.53 0.00 0.00 176.83 176.66 1q20 h GLU 291 N 0.99 0.73 -0.23 2.24 5.08 -0.78 -1.80 114.58 120.80 1q20 h GLU 291 Ca 0.19 -0.39 -0.11 0.00 -1.00 0.00 0.00 59.36 58.04 1q20 h GLU 291 Cb 0.51 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1q20 h GLU 291 CO 0.02 1.01 -0.33 0.00 -1.00 0.00 0.00 179.01 178.71 1q20 h ALA 292 N 0.93 1.00 -0.41 3.43 0.00 -1.17 -2.51 119.26 120.53 1q20 h ALA 292 Ca 0.04 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1q20 h ALA 292 Cb 0.97 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1q20 h ALA 292 CO 0.09 0.60 -0.08 0.35 0.00 0.00 0.00 179.25 180.22 1q20 h PHE 293 N 0.42 0.86 -0.30 0.00 3.04 -0.95 -2.61 116.94 117.39 1q20 h PHE 293 Ca 0.05 -0.18 -0.03 0.00 3.98 0.00 0.00 57.97 61.79 1q20 h PHE 293 Cb 0.78 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 39.06 1q20 h PHE 293 CO 0.03 0.88 0.05 -0.44 -2.02 0.00 0.00 178.31 176.81 1q20 h ASP 294 N 0.59 0.40 -0.31 0.41 3.32 -1.15 0.72 116.42 120.39 1q20 h ASP 294 Ca 0.11 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1q20 h ASP 294 Cb 0.59 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1q20 h ASP 294 CO 0.04 0.43 0.01 0.03 -1.72 0.00 0.00 179.24 178.02 1q20 h ARG 295 N 0.43 0.55 -0.35 3.56 3.08 -1.27 0.33 114.38 120.71 1q20 h ARG 295 Ca 0.10 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1q20 h ARG 295 Cb 0.21 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1q20 h ARG 295 CO -0.00 0.68 0.14 0.00 -1.07 0.00 0.00 179.97 179.72 1q20 h ALA 296 N 0.85 0.46 0.14 0.04 0.00 -1.05 -2.27 119.26 117.41 1q20 h ALA 296 Ca 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1q20 h ALA 296 Cb 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1q20 h ALA 296 CO 0.01 0.07 -0.07 -0.92 0.00 0.00 0.00 179.25 178.34 1q20 h TYR 297 N 0.42 -0.17 -0.84 0.00 5.03 -0.77 -1.15 116.97 119.50 1q20 h TYR 297 Ca 0.12 -0.00 0.11 0.00 2.58 0.00 0.00 58.73 61.53 1q20 h TYR 297 Cb 0.19 0.06 -0.08 0.00 1.55 0.00 0.00 36.73 38.45 1q20 h TYR 297 CO -0.00 -0.06 0.47 -0.09 -1.32 0.00 0.00 178.16 177.16 1q20 h ARG 298 N -0.24 0.73 -0.23 1.82 2.43 -0.85 0.71 114.38 118.74 1q20 h ARG 298 Ca -0.02 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 58.98 1q20 h ARG 298 Cb 0.19 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1q20 h ARG 298 CO 0.03 0.48 -0.33 0.87 -1.51 0.00 0.00 179.97 179.51 1q20 h LYS 299 N 0.75 0.63 0.02 0.20 1.57 -1.28 -3.00 116.57 115.47 1q20 h LYS 299 Ca 0.42 -0.37 -0.23 0.00 -1.87 0.00 0.00 60.65 58.59 1q20 h LYS 299 Cb 0.44 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1q20 h LYS 299 CO -0.28 0.99 -0.98 1.96 -0.57 0.00 0.00 179.45 180.57 1q20 h GLN 300 N 0.34 0.38 -0.88 3.15 1.08 -0.64 -3.28 115.11 115.25 1q20 h GLN 300 Ca 0.02 -0.43 -0.41 0.00 -1.45 0.00 0.00 58.65 56.38 1q20 h GLN 300 Cb 0.92 0.13 -0.24 0.00 -0.05 0.00 0.00 27.48 28.23 1q20 h GLN 300 CO 0.08 1.11 0.50 -1.33 -0.95 0.00 0.00 178.83 178.24 1q20 n MET 301 N -3.71 2.65 -0.40 1.46 2.81 0.24 -4.78 117.12 115.38 1q20 n MET 301 Ca -0.07 -3.05 -0.10 0.00 -1.81 0.00 0.00 57.70 52.68 1q20 n MET 301 Cb 0.86 -2.17 -0.08 0.00 -0.71 0.00 0.00 33.22 31.12 1q20 n MET 301 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1q20 h ARG 302 N 1.48 -0.02 -0.25 0.03 3.08 -1.59 -2.25 114.38 114.86 1q20 h ARG 302 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.56 1q20 h ARG 302 Cb 2.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.70 1q20 h ARG 302 CO 0.96 -0.01 0.00 0.41 -1.07 0.00 0.00 179.97 180.26 1q20 n GLY 303 N -1.29 1.05 3.71 0.04 0.00 -1.26 -5.00 105.19 102.45 1q20 n GLY 303 Ca 0.03 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 1q20 n GLY 303 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1q20 s MET 304 N -1.68 1.84 0.95 1.61 -1.94 -0.85 -5.03 119.30 114.19 1q20 s MET 304 Ca 0.35 1.62 -0.14 0.00 -1.71 0.00 0.00 55.69 55.80 1q20 s MET 304 Cb 0.20 -1.81 0.17 0.00 2.01 0.00 0.00 34.83 35.40 1q20 s MET 304 CO 0.30 -2.04 1.21 -1.25 -0.01 0.00 0.00 175.02 173.23 1q20 s PRO 305 N -4.25 0.80 0.17 2.03 0.04 -1.26 -5.01 135.00 127.52 1q20 s PRO 305 Ca 0.70 -0.04 -0.30 0.00 0.04 0.00 0.00 61.00 61.40 1q20 s PRO 305 Cb -0.26 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 1q20 s PRO 305 CO 0.50 -2.37 0.96 0.99 0.04 0.00 0.00 177.00 177.12 1q20 s THR 306 N -3.51 4.27 0.24 1.26 2.01 -1.26 -5.07 115.64 113.58 1q20 s THR 306 Ca 0.68 2.05 0.09 0.00 0.31 0.00 0.00 61.69 64.82 1q20 s THR 306 Cb -0.09 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 1q20 s THR 306 CO 0.53 0.39 0.01 -0.36 -0.69 0.00 0.00 174.62 174.50 1q20 s PHE 307 N -0.53 2.77 0.39 4.92 0.08 -1.26 -5.02 117.98 119.32 1q20 s PHE 307 Ca 0.44 -0.19 0.13 0.00 0.12 0.00 0.00 56.93 57.44 1q20 s PHE 307 Cb -0.25 -1.26 0.96 0.00 -0.57 0.00 0.00 43.02 41.90 1q20 s PHE 307 CO 0.31 0.58 1.86 -1.35 -0.10 0.00 0.00 175.22 176.53 1q20 h PRO 308 N 2.07 0.52 0.00 0.24 0.11 -2.01 -0.80 132.00 132.12 1q20 h PRO 308 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1q20 h PRO 308 Cb 1.24 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1q20 h PRO 308 CO 0.59 0.34 0.00 -2.67 -0.21 0.00 0.00 178.00 176.06 1q20 n TRP 309 N -4.54 0.00 -3.06 0.65 2.14 -1.26 -4.67 117.44 106.70 1q20 n TRP 309 Ca 0.18 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.32 1q20 n TRP 309 Cb 0.58 0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 31.02 1q20 n TRP 309 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1q20 s ASP 310 N -1.78 6.29 0.00 -0.67 1.01 -0.31 -5.05 116.67 116.15 1q20 s ASP 310 Ca 0.32 -0.58 0.24 0.00 0.71 0.00 0.00 52.55 53.23 1q20 s ASP 310 Cb 0.14 -2.34 0.19 0.00 1.01 0.00 0.00 42.92 41.93 1q20 s ASP 310 CO 0.24 -0.94 1.26 -1.84 0.21 0.00 0.00 175.17 174.11