#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q21 s THR 2 N 0.00 4.56 -0.10 3.17 2.01 -1.25 -4.86 115.64 119.16 1q21 s THR 2 Ca 0.00 1.20 0.03 0.00 0.31 0.00 0.00 61.69 63.24 1q21 s THR 2 Cb 0.00 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.79 1q21 s THR 2 CO 0.00 -0.05 -0.22 -1.61 -0.69 0.00 0.00 174.62 172.05 1q21 s GLU 3 N -2.60 2.88 -0.21 4.92 2.02 -1.26 0.53 118.70 124.98 1q21 s GLU 3 Ca 0.51 -0.82 -0.03 0.00 0.02 0.00 0.00 54.97 54.65 1q21 s GLU 3 Cb -0.13 -2.22 -0.01 0.00 0.10 0.00 0.00 34.13 31.87 1q21 s GLU 3 CO 0.18 0.12 -0.07 0.71 0.02 0.00 0.00 175.26 176.23 1q21 s TYR 4 N 0.48 2.93 -0.39 1.61 2.02 -0.66 -4.96 117.35 118.38 1q21 s TYR 4 Ca -0.16 -0.99 -0.21 0.00 -0.37 0.00 0.00 57.07 55.34 1q21 s TYR 4 Cb -0.17 -2.07 0.01 0.00 -0.40 0.00 0.00 41.96 39.33 1q21 s TYR 4 CO 0.06 -0.55 0.68 0.15 -1.57 0.00 0.00 175.55 174.32 1q21 s LYS 5 N 1.38 3.57 0.08 -0.62 -0.14 -1.26 -1.20 119.74 121.55 1q21 s LYS 5 Ca 0.05 -0.01 0.05 0.00 -1.36 0.00 0.00 55.97 54.69 1q21 s LYS 5 Cb -0.14 -3.85 -0.04 0.00 -1.68 0.00 0.00 37.83 32.12 1q21 s LYS 5 CO -0.04 -0.86 -0.04 -0.51 -0.76 0.00 0.00 175.35 173.14 1q21 s LEU 6 N 2.86 3.28 -0.09 3.17 1.43 0.54 0.94 118.68 130.82 1q21 s LEU 6 Ca 0.26 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 1q21 s LEU 6 Cb -0.14 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.08 1q21 s LEU 6 CO 0.17 0.20 -0.17 -0.69 0.23 0.00 0.00 176.35 176.09 1q21 s VAL 7 N -1.23 1.54 -0.29 -1.59 1.01 0.42 -1.62 120.40 118.65 1q21 s VAL 7 Ca 0.23 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 1q21 s VAL 7 Cb -0.11 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1q21 s VAL 7 CO 0.15 0.45 0.19 -0.69 0.00 0.00 0.00 175.10 175.20 1q21 s VAL 8 N 0.74 5.28 0.20 2.92 1.01 -0.18 -0.68 120.40 129.69 1q21 s VAL 8 Ca -0.12 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.05 1q21 s VAL 8 Cb -0.16 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1q21 s VAL 8 CO 0.02 0.21 -0.17 0.54 0.00 0.00 0.00 175.10 175.71 1q21 s VAL 9 N 1.75 1.87 0.00 2.92 0.11 0.47 -3.02 120.40 124.50 1q21 s VAL 9 Ca 0.07 -2.10 0.00 0.00 -2.93 0.00 0.00 61.98 57.01 1q21 s VAL 9 Cb -0.16 -1.99 0.00 0.00 -1.53 0.00 0.00 36.38 32.70 1q21 s VAL 9 CO 0.11 -0.44 0.00 0.61 -3.33 0.00 0.00 175.10 172.04 1q21 n GLY 10 N -0.11 3.73 3.67 6.54 0.00 -1.26 -1.29 105.19 116.47 1q21 n GLY 10 Ca -0.10 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 1q21 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q21 n ALA 11 N -1.66 -0.76 -1.77 4.61 0.00 -1.26 -4.96 120.51 114.70 1q21 n ALA 11 Ca 0.00 -0.54 -0.36 0.00 0.00 0.00 0.00 53.44 52.54 1q21 n ALA 11 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.25 1q21 n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1q21 s GLY 12 N -2.58 2.68 0.00 0.00 0.00 -1.26 -2.95 107.32 103.21 1q21 s GLY 12 Ca 0.68 0.88 0.00 0.00 0.00 0.00 0.00 44.72 46.28 1q21 s GLY 12 CO 0.57 1.27 0.00 0.61 0.00 0.00 0.00 173.10 175.55 1q21 n GLY 13 N 0.28 1.50 0.14 0.20 0.00 -1.26 -4.90 105.19 101.15 1q21 n GLY 13 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 1q21 n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1q21 h VAL 14 N 0.00 1.46 0.00 1.61 -1.51 -1.90 -3.48 116.25 112.43 1q21 h VAL 14 Ca 0.00 -2.37 0.00 0.00 -1.23 0.00 0.00 66.70 63.10 1q21 h VAL 14 Cb 0.00 2.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 1q21 h VAL 14 CO 0.00 0.69 0.00 0.61 -1.23 0.00 0.00 177.57 177.64 1q21 n GLY 15 N 0.62 1.52 0.19 5.19 0.00 -1.26 -4.67 105.19 106.78 1q21 n GLY 15 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 1q21 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q21 h LYS 16 N 0.00 0.59 -0.24 1.61 1.57 -1.91 0.25 116.57 118.44 1q21 h LYS 16 Ca 0.00 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.56 1q21 h LYS 16 Cb 0.00 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 1q21 h LYS 16 CO 0.00 0.43 -0.52 0.77 -0.57 0.00 0.00 179.45 179.56 1q21 h SER 17 N 0.58 0.75 -0.71 0.86 0.02 -1.96 -1.76 113.55 111.33 1q21 h SER 17 Ca 0.16 -0.39 -0.06 0.00 -0.84 0.00 0.00 61.79 60.66 1q21 h SER 17 Cb -0.01 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 1q21 h SER 17 CO -0.03 1.13 0.22 0.00 -1.14 0.00 0.00 176.83 177.01 1q21 h ALA 18 N 0.89 1.04 -0.14 3.77 0.00 -1.78 0.36 119.26 123.41 1q21 h ALA 18 Ca 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1q21 h ALA 18 Cb 1.08 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1q21 h ALA 18 CO 0.11 0.65 -0.02 -0.07 0.00 0.00 0.00 179.25 179.91 1q21 h LEU 19 N 1.07 0.25 -0.04 0.00 3.38 -0.41 -1.39 115.31 118.17 1q21 h LEU 19 Ca 0.23 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1q21 h LEU 19 Cb 0.30 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1q21 h LEU 19 CO -0.01 0.54 -0.17 0.74 0.09 0.00 0.00 178.44 179.64 1q21 h THR 20 N -0.04 0.59 -0.58 0.22 2.02 -1.13 -0.56 112.91 113.43 1q21 h THR 20 Ca 0.04 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.16 1q21 h THR 20 Cb 0.43 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1q21 h THR 20 CO 0.01 0.00 0.14 0.40 0.37 0.00 0.00 175.52 176.44 1q21 h ILE 21 N -0.25 1.23 -0.91 3.11 2.04 -0.96 -0.46 117.51 121.31 1q21 h ILE 21 Ca 0.07 -0.85 0.03 0.00 1.00 0.00 0.00 64.86 65.10 1q21 h ILE 21 Cb 0.34 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 1q21 h ILE 21 CO -0.19 0.32 0.60 1.56 0.00 0.00 0.00 178.15 180.44 1q21 h GLN 22 N 0.86 1.14 -0.02 2.37 1.08 -0.72 0.11 115.11 119.92 1q21 h GLN 22 Ca 0.19 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.22 1q21 h GLN 22 Cb 0.31 -0.26 0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1q21 h GLN 22 CO -0.00 0.75 -0.36 1.25 -0.95 0.00 0.00 178.83 179.53 1q21 h LEU 23 N 1.17 0.36 0.51 1.46 5.85 0.41 -2.30 115.31 122.76 1q21 h LEU 23 Ca 0.35 -0.72 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 1q21 h LEU 23 Cb -0.04 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 40.88 1q21 h LEU 23 CO -0.10 1.03 -0.25 0.40 -0.34 0.00 0.00 178.44 179.19 1q21 h ILE 24 N -0.29 0.48 -0.25 4.05 1.08 -0.81 -3.36 117.51 118.41 1q21 h ILE 24 Ca -0.04 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1q21 h ILE 24 Cb 1.06 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 1q21 h ILE 24 CO 0.07 0.03 0.00 0.00 -0.69 0.00 0.00 178.15 177.56 1q21 n GLN 25 N -5.34 2.79 -4.07 2.37 6.02 0.36 -5.03 117.38 114.48 1q21 n GLN 25 Ca -0.12 -2.31 -0.44 0.00 -0.01 0.00 0.00 57.00 54.13 1q21 n GLN 25 Cb 0.31 -1.46 0.02 0.00 1.02 0.00 0.00 30.24 30.12 1q21 n GLN 25 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1q21 n ASN 26 N -0.10 -3.77 -3.56 1.08 5.15 -0.87 -4.96 115.26 108.23 1q21 n ASN 26 Ca 0.14 -1.21 -0.15 0.00 -0.60 0.00 0.00 54.58 52.76 1q21 n ASN 26 Cb 0.59 -1.45 -0.06 0.00 -0.53 0.00 0.00 39.78 38.32 1q21 n ASN 26 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1q21 s HIS 27 N -3.64 -0.57 0.17 1.20 -3.43 -1.26 -5.05 115.29 102.71 1q21 s HIS 27 Ca 0.45 1.09 -0.18 0.00 -0.80 0.00 0.00 55.06 55.63 1q21 s HIS 27 Cb -0.25 0.40 -0.07 0.00 -1.43 0.00 0.00 32.58 31.22 1q21 s HIS 27 CO 0.90 -0.47 0.64 0.12 -2.00 0.00 0.00 174.74 173.93 1q21 s PHE 28 N -0.84 3.67 -0.17 0.38 5.36 -1.26 -3.98 117.98 121.14 1q21 s PHE 28 Ca -0.06 1.26 0.00 0.00 -0.96 0.00 0.00 56.93 57.18 1q21 s PHE 28 Cb -0.01 -2.51 0.03 0.00 -0.34 0.00 0.00 43.02 40.19 1q21 s PHE 28 CO 0.05 0.41 -0.11 0.08 -1.46 0.00 0.00 175.22 174.20 1q21 s VAL 29 N -1.43 1.49 0.28 3.12 1.01 -1.26 -5.10 120.40 118.52 1q21 s VAL 29 Ca 0.39 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1q21 s VAL 29 Cb -0.17 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1q21 s VAL 29 CO 0.20 0.28 0.47 1.51 0.00 0.00 0.00 175.10 177.57 1q21 s ASP 30 N 1.49 6.34 -1.14 3.32 1.47 -1.26 -4.59 116.67 122.30 1q21 s ASP 30 Ca 0.02 0.40 -0.03 0.00 1.18 0.00 0.00 52.55 54.12 1q21 s ASP 30 Cb -0.15 -2.01 -0.03 0.00 -0.34 0.00 0.00 42.92 40.40 1q21 s ASP 30 CO -0.09 -0.17 0.94 1.21 0.68 0.00 0.00 175.17 177.73 1q21 n GLU 31 N -1.30 -4.45 -3.58 2.11 2.13 -1.26 -4.99 120.64 109.30 1q21 n GLU 31 Ca -0.05 0.83 -0.38 0.00 0.66 0.00 0.00 57.16 58.22 1q21 n GLU 31 Cb 0.55 -5.74 -0.06 0.00 0.27 0.00 0.00 31.44 26.47 1q21 n GLU 31 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1q21 s TYR 32 N -3.40 3.70 -0.42 4.31 5.04 -1.26 -4.95 117.35 120.37 1q21 s TYR 32 Ca 0.21 0.90 -0.38 0.00 -2.44 0.00 0.00 57.07 55.37 1q21 s TYR 32 Cb -0.03 -2.22 -0.14 0.00 0.35 0.00 0.00 41.96 39.92 1q21 s TYR 32 CO 0.75 0.66 2.20 -3.47 -1.34 0.00 0.00 175.55 174.35 1q21 n ASP 33 N 1.85 1.62 0.16 4.32 -0.08 -1.26 -4.78 116.55 118.38 1q21 n ASP 33 Ca -0.15 0.47 0.08 0.00 -1.51 0.00 0.00 54.79 53.67 1q21 n ASP 33 Cb 0.53 -1.14 0.42 0.00 2.34 0.00 0.00 41.12 43.27 1q21 n ASP 33 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1q21 n PRO 34 N 8.01 0.10 -0.06 -0.67 -0.04 -1.26 -1.88 135.00 139.21 1q21 n PRO 34 Ca 0.47 0.58 -0.10 0.00 -0.04 0.00 0.00 63.50 64.41 1q21 n PRO 34 Cb 0.14 -2.03 -0.15 0.00 -0.04 0.00 0.00 33.50 31.42 1q21 n PRO 34 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1q21 n THR 35 N -2.09 1.52 -1.94 0.52 -1.04 -1.26 -4.58 114.28 105.41 1q21 n THR 35 Ca -0.01 -0.81 -0.42 0.00 -2.04 0.00 0.00 64.05 60.77 1q21 n THR 35 Cb 0.22 -0.84 -0.03 0.00 -1.82 0.00 0.00 70.33 67.86 1q21 n THR 35 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1q21 s ILE 36 N -2.55 3.09 -0.19 12.58 -1.09 -0.79 -4.50 121.20 127.74 1q21 s ILE 36 Ca -0.08 0.51 0.01 0.00 -2.23 0.00 0.00 60.65 58.86 1q21 s ILE 36 Cb 0.07 -3.33 0.03 0.00 -1.58 0.00 0.00 42.46 37.65 1q21 s ILE 36 CO 0.82 -0.00 -0.15 -0.70 -1.23 0.00 0.00 174.94 173.67 1q21 s GLU 37 N 2.70 2.50 0.27 2.79 2.12 -1.26 -4.55 118.70 123.28 1q21 s GLU 37 Ca 0.74 -0.89 -0.14 0.00 0.36 0.00 0.00 54.97 55.04 1q21 s GLU 37 Cb -0.39 -2.52 0.00 0.00 0.26 0.00 0.00 34.13 31.48 1q21 s GLU 37 CO 0.32 -0.34 0.54 0.34 -0.54 0.00 0.00 175.26 175.59 1q21 s ASP 38 N 1.31 -0.04 0.22 -1.70 2.15 -1.10 -4.95 116.67 112.56 1q21 s ASP 38 Ca 0.01 -0.93 0.04 0.00 0.43 0.00 0.00 52.55 52.10 1q21 s ASP 38 Cb -0.15 0.64 -0.03 0.00 -0.30 0.00 0.00 42.92 43.08 1q21 s ASP 38 CO -0.10 -1.23 0.35 -0.44 -0.17 0.00 0.00 175.17 173.58 1q21 s SER 39 N -3.02 6.33 -0.01 -0.34 0.01 -1.26 -1.91 113.70 113.50 1q21 s SER 39 Ca 0.20 0.12 -0.03 0.00 1.31 0.00 0.00 55.95 57.55 1q21 s SER 39 Cb -0.02 -1.89 -0.00 0.00 0.21 0.00 0.00 66.02 64.33 1q21 s SER 39 CO 0.10 -0.05 0.07 -0.31 0.41 0.00 0.00 173.24 173.46 1q21 s TYR 40 N -1.94 0.03 0.19 2.43 1.51 0.12 -4.95 117.35 114.74 1q21 s TYR 40 Ca 0.35 -0.05 0.08 0.00 -1.01 0.00 0.00 57.07 56.44 1q21 s TYR 40 Cb -0.10 -0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.67 1q21 s TYR 40 CO 0.29 -0.14 -0.15 1.03 -1.11 0.00 0.00 175.55 175.47 1q21 s ARG 41 N -0.69 1.29 -0.21 -0.62 0.52 -1.26 0.05 118.95 118.03 1q21 s ARG 41 Ca -0.08 -1.53 -0.27 0.00 -0.52 0.00 0.00 55.73 53.34 1q21 s ARG 41 Cb -0.05 -1.15 0.10 0.00 0.52 0.00 0.00 34.95 34.37 1q21 s ARG 41 CO 0.00 0.20 0.86 0.21 0.02 0.00 0.00 175.30 176.59 1q21 s LYS 42 N -3.40 0.73 -0.14 3.54 2.20 -1.11 -4.98 119.74 116.59 1q21 s LYS 42 Ca 0.20 0.58 -0.12 0.00 -0.36 0.00 0.00 55.97 56.27 1q21 s LYS 42 Cb -0.02 0.35 -0.05 0.00 -1.51 0.00 0.00 37.83 36.60 1q21 s LYS 42 CO 0.06 -0.15 0.25 -0.65 -0.36 0.00 0.00 175.35 174.51 1q21 s GLN 43 N -0.22 4.07 0.12 4.03 -0.21 -1.26 -0.37 119.66 125.82 1q21 s GLN 43 Ca -0.01 0.04 -0.04 0.00 0.02 0.00 0.00 55.36 55.36 1q21 s GLN 43 Cb -0.03 -3.36 -0.03 0.00 1.00 0.00 0.00 33.01 30.59 1q21 s GLN 43 CO 0.01 0.40 0.12 0.14 -2.12 0.00 0.00 175.29 173.84 1q21 s VAL 44 N 0.01 0.12 -0.21 1.09 -7.23 -0.72 -4.99 120.40 108.46 1q21 s VAL 44 Ca 0.16 -1.65 -0.02 0.00 -1.81 0.00 0.00 61.98 58.65 1q21 s VAL 44 Cb -0.13 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.00 1q21 s VAL 44 CO 0.04 -0.53 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.51 1q21 s VAL 45 N -3.98 2.89 -0.20 1.32 1.01 -1.26 -0.75 120.40 119.43 1q21 s VAL 45 Ca 0.17 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1q21 s VAL 45 Cb 0.06 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 34.19 1q21 s VAL 45 CO -0.02 0.46 -0.14 -0.63 0.00 0.00 0.00 175.10 174.77 1q21 s ILE 46 N 1.41 1.86 -1.35 2.22 1.01 0.08 -4.79 121.20 121.63 1q21 s ILE 46 Ca 0.05 -1.07 -0.03 0.00 0.00 0.00 0.00 60.65 59.61 1q21 s ILE 46 Cb -0.14 -1.84 0.02 0.00 0.01 0.00 0.00 42.46 40.51 1q21 s ILE 46 CO -0.07 0.27 0.79 0.47 0.00 0.00 0.00 174.94 176.40 1q21 n ASP 47 N 4.63 -2.12 0.00 3.58 8.00 -1.26 -0.62 116.55 128.75 1q21 n ASP 47 Ca -0.17 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.54 1q21 n ASP 47 Cb 0.47 -4.11 0.00 0.00 -0.02 0.00 0.00 41.12 37.46 1q21 n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q21 n GLY 48 N -1.59 2.56 3.75 0.44 0.00 -1.26 -4.97 105.19 104.11 1q21 n GLY 48 Ca -0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 1q21 n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1q21 s GLU 49 N 0.00 4.30 -0.07 1.61 2.12 0.20 -5.04 118.70 121.83 1q21 s GLU 49 Ca 0.00 0.60 -0.22 0.00 0.36 0.00 0.00 54.97 55.71 1q21 s GLU 49 Cb 0.00 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 1q21 s GLU 49 CO 0.00 0.28 0.63 0.99 -0.54 0.00 0.00 175.26 176.63 1q21 s THR 50 N 0.15 5.06 0.23 -1.70 2.01 -1.26 -0.75 115.64 119.39 1q21 s THR 50 Ca 0.29 1.30 -0.09 0.00 0.31 0.00 0.00 61.69 63.50 1q21 s THR 50 Cb -0.17 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.35 1q21 s THR 50 CO 0.14 0.29 0.36 0.00 -0.69 0.00 0.00 174.62 174.73 1q21 s LEU 52 N -3.06 3.18 -0.18 0.00 2.96 0.19 -1.75 118.68 120.01 1q21 s LEU 52 Ca 0.28 -0.24 -0.10 0.00 -0.22 0.00 0.00 54.13 53.85 1q21 s LEU 52 Cb 0.02 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 1q21 s LEU 52 CO 0.10 0.06 0.17 -0.76 -1.32 0.00 0.00 176.35 174.59 1q21 s LEU 53 N 1.04 4.24 -0.40 -0.68 1.02 0.51 -1.66 118.68 122.76 1q21 s LEU 53 Ca 0.02 0.33 -0.03 0.00 0.02 0.00 0.00 54.13 54.47 1q21 s LEU 53 Cb -0.14 -2.15 0.11 0.00 0.02 0.00 0.00 46.19 44.02 1q21 s LEU 53 CO 0.01 0.19 0.18 -0.62 0.02 0.00 0.00 176.35 176.14 1q21 s ASP 54 N 0.20 5.22 -0.18 2.29 -1.08 -0.34 -2.73 116.67 120.04 1q21 s ASP 54 Ca 0.11 -1.99 -0.06 0.00 -0.52 0.00 0.00 52.55 50.09 1q21 s ASP 54 Cb -0.12 -1.81 -0.03 0.00 -1.46 0.00 0.00 42.92 39.50 1q21 s ASP 54 CO 0.00 -0.52 0.03 -0.63 0.52 0.00 0.00 175.17 174.57 1q21 s ILE 55 N 1.14 4.41 -0.34 4.11 1.01 0.11 -0.34 121.20 131.30 1q21 s ILE 55 Ca 0.08 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.45 1q21 s ILE 55 Cb -0.22 -2.98 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1q21 s ILE 55 CO -0.04 0.46 0.20 -0.22 0.00 0.00 0.00 174.94 175.34 1q21 s LEU 56 N 0.46 4.44 -0.82 2.97 2.96 -0.64 0.16 118.68 128.22 1q21 s LEU 56 Ca 0.01 -0.64 -0.17 0.00 -0.22 0.00 0.00 54.13 53.10 1q21 s LEU 56 Cb -0.13 -2.06 0.15 0.00 0.50 0.00 0.00 46.19 44.65 1q21 s LEU 56 CO 0.01 -0.27 0.92 -0.62 -1.32 0.00 0.00 176.35 175.08 1q21 s ASP 57 N 1.63 6.57 0.17 3.68 2.15 -0.80 -1.01 116.67 129.06 1q21 s ASP 57 Ca 0.04 -2.09 -0.31 0.00 0.43 0.00 0.00 52.55 50.62 1q21 s ASP 57 Cb -0.18 -2.32 -0.09 0.00 -0.30 0.00 0.00 42.92 40.03 1q21 s ASP 57 CO 0.08 -0.93 1.48 -0.89 -0.17 0.00 0.00 175.17 174.74 1q21 s THR 58 N 1.93 2.84 -0.09 1.71 2.01 -1.17 -2.72 115.64 120.14 1q21 s THR 58 Ca 0.23 0.62 -0.12 0.00 0.31 0.00 0.00 61.69 62.74 1q21 s THR 58 Cb -0.11 -3.40 0.03 0.00 0.01 0.00 0.00 72.50 69.03 1q21 s THR 58 CO -0.06 0.06 0.31 0.00 -0.69 0.00 0.00 174.62 174.24 1q21 s ALA 59 N 0.84 -0.77 0.00 7.40 0.00 -1.26 -4.95 121.76 123.03 1q21 s ALA 59 Ca 0.66 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1q21 s ALA 59 Cb -0.41 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1q21 s ALA 59 CO 0.34 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.33 1q21 n GLY 60 N 2.51 4.26 3.60 0.00 0.00 -1.26 -4.62 105.19 109.68 1q21 n GLY 60 Ca -0.15 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 1q21 n GLY 60 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1q21 s GLN 61 N -3.02 3.69 -0.30 1.61 -0.44 -1.26 -4.77 119.66 115.17 1q21 s GLN 61 Ca 0.00 0.64 0.05 0.00 -2.50 0.00 0.00 55.36 53.55 1q21 s GLN 61 Cb 0.00 -3.93 0.18 0.00 -1.64 0.00 0.00 33.01 27.62 1q21 s GLN 61 CO 0.00 -1.42 0.53 -2.00 0.50 0.00 0.00 175.29 172.89 1q21 s GLU 62 N 4.56 0.53 -0.64 1.67 -6.30 -1.26 -5.08 118.70 112.19 1q21 s GLU 62 Ca 0.51 0.32 -0.27 0.00 -2.50 0.00 0.00 54.97 53.03 1q21 s GLU 62 Cb -0.08 0.03 -0.11 0.00 0.00 0.00 0.00 34.13 33.96 1q21 s GLU 62 CO 0.32 -1.06 2.48 0.39 0.02 0.00 0.00 175.26 177.41 1q21 n GLU 63 N 5.31 0.75 -3.45 4.30 -0.58 -1.26 -3.69 120.64 122.02 1q21 n GLU 63 Ca 0.04 -0.06 -0.12 0.00 -0.42 0.00 0.00 57.16 56.60 1q21 n GLU 63 Cb 0.52 -2.97 -0.01 0.00 -0.57 0.00 0.00 31.44 28.41 1q21 n GLU 63 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1q21 n TYR 64 N 14.68 -0.39 0.00 -0.32 4.01 -1.26 -4.75 117.16 129.13 1q21 n TYR 64 Ca 0.45 0.09 0.00 0.00 -0.16 0.00 0.00 57.90 58.28 1q21 n TYR 64 Cb 0.41 -0.82 0.00 0.00 -0.31 0.00 0.00 39.34 38.62 1q21 n TYR 64 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1q21 n SER 65 N -0.30 0.00 -3.33 7.72 7.64 -1.24 -4.25 113.62 119.85 1q21 n SER 65 Ca -0.06 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.55 1q21 n SER 65 Cb 0.19 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.31 1q21 n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q21 n ALA 66 N -3.00 3.81 -1.66 -0.43 0.00 -1.26 -4.75 120.51 113.21 1q21 n ALA 66 Ca 0.00 -4.51 -0.46 0.00 0.00 0.00 0.00 53.44 48.47 1q21 n ALA 66 Cb 0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 1q21 n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q21 n MET 67 N 0.83 2.00 -3.34 0.00 0.00 -1.26 -3.41 117.12 111.93 1q21 n MET 67 Ca 0.28 0.72 -0.18 0.00 0.00 0.00 0.00 57.70 58.52 1q21 n MET 67 Cb 0.43 -2.41 0.01 0.00 0.00 0.00 0.00 33.22 31.26 1q21 n MET 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1q21 n ARG 68 N 2.57 -1.76 -0.21 3.17 0.63 -1.26 -4.54 116.66 115.26 1q21 n ARG 68 Ca 0.14 1.40 -0.13 0.00 -0.92 0.00 0.00 57.85 58.34 1q21 n ARG 68 Cb 0.29 -3.84 -0.10 0.00 0.45 0.00 0.00 32.46 29.27 1q21 n ARG 68 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1q21 h ASP 69 N 0.96 -1.91 0.00 6.15 1.82 -1.98 0.17 116.42 121.62 1q21 h ASP 69 Ca -0.32 0.26 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 1q21 h ASP 69 Cb 1.22 0.80 0.00 0.00 0.68 0.00 0.00 39.33 42.03 1q21 h ASP 69 CO 0.28 -0.35 0.00 0.00 -1.61 0.00 0.00 179.24 177.56 1q21 n GLN 70 N -5.28 0.15 0.00 0.28 1.13 -1.26 0.04 117.38 112.43 1q21 n GLN 70 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 1q21 n GLN 70 Cb 0.31 -1.04 0.00 0.00 0.11 0.00 0.00 30.24 29.62 1q21 n GLN 70 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1q21 n TYR 71 N 0.01 0.00 -0.02 1.08 4.01 -0.32 -4.70 117.16 117.22 1q21 n TYR 71 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 1q21 n TYR 71 Cb 0.02 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 38.98 1q21 n TYR 71 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 1q21 h MET 72 N 0.00 0.14 0.00 -0.72 2.86 0.25 2.87 114.93 120.32 1q21 h MET 72 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1q21 h MET 72 Cb 0.34 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1q21 h MET 72 CO 0.00 0.32 0.00 0.07 1.06 0.00 0.00 176.91 178.36 1q21 h ARG 73 N -0.06 0.00 0.00 1.72 0.11 -1.55 -2.87 114.38 111.73 1q21 h ARG 73 Ca 0.03 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.06 1q21 h ARG 73 Cb 0.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.31 1q21 h ARG 73 CO -0.00 0.00 -1.47 0.25 0.10 0.00 0.00 179.97 178.85 1q21 n THR 74 N -2.95 0.53 -1.69 0.08 -2.24 -0.95 -4.95 114.28 102.11 1q21 n THR 74 Ca 0.01 -0.57 -0.42 0.00 -2.27 0.00 0.00 64.05 60.80 1q21 n THR 74 Cb 0.32 -0.29 -0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1q21 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q21 n GLY 75 N 1.27 0.53 0.00 3.38 0.00 0.95 -4.86 105.19 106.47 1q21 n GLY 75 Ca -0.04 0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.35 1q21 n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q21 n GLU 76 N 0.40 0.10 -3.57 1.61 1.02 0.27 -4.97 120.64 115.50 1q21 n GLU 76 Ca 0.05 -0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 57.03 1q21 n GLU 76 Cb 0.37 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 30.22 1q21 n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1q21 s GLY 77 N -3.24 -0.44 0.02 0.62 0.00 -1.08 -4.16 107.32 99.04 1q21 s GLY 77 Ca 0.06 1.78 0.08 0.00 0.00 0.00 0.00 44.72 46.64 1q21 s GLY 77 CO 0.84 1.19 -0.23 -1.36 0.00 0.00 0.00 173.10 173.54 1q21 s PHE 78 N -0.77 2.07 -0.31 1.90 0.40 -0.02 -0.43 117.98 120.81 1q21 s PHE 78 Ca -0.05 -0.39 -0.07 0.00 -0.60 0.00 0.00 56.93 55.82 1q21 s PHE 78 Cb -0.01 -1.28 0.02 0.00 0.51 0.00 0.00 43.02 42.25 1q21 s PHE 78 CO 0.05 0.04 0.10 -1.17 0.70 0.00 0.00 175.22 174.93 1q21 s LEU 79 N -0.90 4.06 -0.54 -0.37 2.96 0.15 -1.45 118.68 122.59 1q21 s LEU 79 Ca 0.09 -0.86 -0.19 0.00 -0.22 0.00 0.00 54.13 52.95 1q21 s LEU 79 Cb -0.09 -1.89 0.07 0.00 0.50 0.00 0.00 46.19 44.78 1q21 s LEU 79 CO 0.01 -0.25 0.68 0.00 -1.32 0.00 0.00 176.35 175.47 1q21 s VAL 81 N 2.78 3.54 0.21 0.00 0.11 -0.41 0.02 120.40 126.65 1q21 s VAL 81 Ca 0.15 -0.66 0.02 0.00 -2.93 0.00 0.00 61.98 58.57 1q21 s VAL 81 Cb -0.20 -2.47 -0.05 0.00 -1.53 0.00 0.00 36.38 32.13 1q21 s VAL 81 CO 0.10 0.51 0.03 0.72 -3.33 0.00 0.00 175.10 173.13 1q21 s PHE 82 N -0.87 1.38 -0.12 1.54 -0.12 -0.29 -4.15 117.98 115.35 1q21 s PHE 82 Ca 0.14 -1.04 -0.05 0.00 -0.05 0.00 0.00 56.93 55.92 1q21 s PHE 82 Cb -0.11 -0.80 -0.04 0.00 -0.63 0.00 0.00 43.02 41.45 1q21 s PHE 82 CO 0.04 -0.21 0.08 0.00 -0.05 0.00 0.00 175.22 175.08 1q21 s ALA 83 N -3.63 3.62 -0.98 1.99 0.00 -1.26 -0.47 121.76 121.03 1q21 s ALA 83 Ca 0.29 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1q21 s ALA 83 Cb 0.06 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1q21 s ALA 83 CO 0.08 0.55 0.98 1.51 0.00 0.00 0.00 175.76 178.88 1q21 n ILE 84 N 2.25 1.93 -0.42 0.00 0.13 0.21 -1.96 119.36 121.50 1q21 n ILE 84 Ca -0.19 0.50 0.03 0.00 -1.10 0.00 0.00 62.75 61.99 1q21 n ILE 84 Cb 0.54 -1.50 0.05 0.00 -0.84 0.00 0.00 39.64 37.89 1q21 n ILE 84 CO 0.00 0.00 0.00 -0.46 2.80 0.00 0.00 176.55 178.89 1q21 n ASN 85 N -1.48 2.02 -3.64 9.51 6.94 -1.26 -1.23 115.26 126.12 1q21 n ASN 85 Ca 0.00 -2.33 -0.29 0.00 -0.02 0.00 0.00 54.58 51.94 1q21 n ASN 85 Cb 0.01 -0.15 -0.15 0.00 -2.36 0.00 0.00 39.78 37.14 1q21 n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1q21 s ASN 86 N -1.59 3.72 0.38 0.53 3.84 -0.83 -4.65 114.94 116.34 1q21 s ASN 86 Ca 0.11 -1.66 0.06 0.00 0.21 0.00 0.00 52.86 51.58 1q21 s ASN 86 Cb 0.09 -0.65 0.76 0.00 -0.55 0.00 0.00 41.25 40.90 1q21 s ASN 86 CO 0.01 -0.40 1.98 0.74 -2.79 0.00 0.00 177.10 176.64 1q21 h THR 87 N 6.20 1.14 -0.51 -5.21 2.02 -1.86 -2.48 112.91 112.21 1q21 h THR 87 Ca -0.13 -0.45 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 1q21 h THR 87 Cb 1.00 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1q21 h THR 87 CO 0.44 0.17 0.14 0.50 0.37 0.00 0.00 175.52 177.14 1q21 h LYS 88 N 0.51 0.77 -0.22 6.66 1.63 -1.94 0.39 116.57 124.36 1q21 h LYS 88 Ca 0.13 -0.14 -0.08 0.00 -0.85 0.00 0.00 60.65 59.70 1q21 h LYS 88 Cb 0.12 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1q21 h LYS 88 CO -0.01 0.69 -0.23 0.66 -3.45 0.00 0.00 179.45 177.11 1q21 h SER 89 N 0.75 0.40 -0.27 4.20 4.64 -1.81 0.20 113.55 121.67 1q21 h SER 89 Ca 0.17 -0.12 -0.15 0.00 -0.47 0.00 0.00 61.79 61.21 1q21 h SER 89 Cb 0.26 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1q21 h SER 89 CO -0.00 0.64 -0.43 0.15 -0.87 0.00 0.00 176.83 176.32 1q21 h PHE 90 N 0.37 0.95 0.00 4.77 3.57 -1.01 -2.81 116.94 122.78 1q21 h PHE 90 Ca 0.06 -0.32 -0.10 0.00 3.53 0.00 0.00 57.97 61.14 1q21 h PHE 90 Cb 0.60 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1q21 h PHE 90 CO 0.02 1.11 -0.47 0.93 -2.23 0.00 0.00 178.31 177.67 1q21 h GLU 91 N 0.51 0.00 0.00 1.11 4.39 0.29 -2.90 114.58 117.99 1q21 h GLU 91 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1q21 h GLU 91 Cb 1.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1q21 h GLU 91 CO 0.10 0.47 0.00 -0.25 -1.16 0.00 0.00 179.01 178.16 1q21 n ASP 92 N -3.85 0.00 -0.32 1.42 8.00 0.66 -3.36 116.55 119.11 1q21 n ASP 92 Ca -0.01 0.49 0.06 0.00 0.71 0.00 0.00 54.79 56.04 1q21 n ASP 92 Cb 0.51 -0.49 0.25 0.00 -0.02 0.00 0.00 41.12 41.37 1q21 n ASP 92 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1q21 h ILE 93 N 0.00 1.00 -0.92 0.53 1.08 -1.45 -2.27 117.51 115.47 1q21 h ILE 93 Ca 0.00 -0.34 0.01 0.00 -0.39 0.00 0.00 64.86 64.14 1q21 h ILE 93 Cb 0.19 -0.08 -0.05 0.00 -3.07 0.00 0.00 36.82 33.82 1q21 h ILE 93 CO 0.00 0.18 0.61 -0.74 -0.69 0.00 0.00 178.15 177.51 1q21 h HIS 94 N 0.99 1.15 -0.50 1.37 2.76 -1.80 -0.86 115.15 118.25 1q21 h HIS 94 Ca 0.43 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.57 1q21 h HIS 94 Cb 0.35 -0.39 -0.02 0.00 1.55 0.00 0.00 27.41 28.90 1q21 h HIS 94 CO -0.00 0.71 0.08 1.96 -1.30 0.00 0.00 177.93 179.38 1q21 h GLN 95 N 1.23 0.83 -0.73 5.26 7.50 -1.65 -1.13 115.11 126.42 1q21 h GLN 95 Ca 0.34 -0.22 -0.05 0.00 0.50 0.00 0.00 58.65 59.21 1q21 h GLN 95 Cb -0.12 -0.10 -0.03 0.00 0.05 0.00 0.00 27.48 27.28 1q21 h GLN 95 CO -0.08 0.83 0.26 1.88 -1.50 0.00 0.00 178.83 180.21 1q21 h TYR 96 N 0.71 1.15 -0.64 2.96 0.05 -1.37 0.04 116.97 119.87 1q21 h TYR 96 Ca 0.15 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1q21 h TYR 96 Cb 0.40 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 1q21 h TYR 96 CO 0.03 0.90 0.37 -0.09 -1.05 0.00 0.00 178.16 178.32 1q21 h ARG 97 N 1.07 0.87 -0.11 4.88 2.43 -0.86 -0.34 114.38 122.32 1q21 h ARG 97 Ca 0.24 -0.08 -0.20 0.00 -0.81 0.00 0.00 59.98 59.13 1q21 h ARG 97 Cb 0.27 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1q21 h ARG 97 CO -0.01 0.63 -0.74 0.93 -1.51 0.00 0.00 179.97 179.26 1q21 h GLU 98 N 0.89 0.55 -0.16 0.20 4.39 -0.54 0.12 114.58 120.04 1q21 h GLU 98 Ca 0.23 -0.45 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 1q21 h GLU 98 Cb -0.01 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1q21 h GLU 98 CO -0.04 1.08 0.02 0.37 -1.16 0.00 0.00 179.01 179.27 1q21 h GLN 99 N 0.38 0.27 -0.58 2.33 5.75 -0.72 0.27 115.11 122.80 1q21 h GLN 99 Ca -0.04 -0.08 0.07 0.00 -0.15 0.00 0.00 58.65 58.45 1q21 h GLN 99 Cb 1.34 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.80 1q21 h GLN 99 CO 0.14 0.46 0.28 0.82 -2.65 0.00 0.00 178.83 177.87 1q21 h ILE 100 N 0.04 0.89 -0.63 2.39 2.04 -1.03 0.36 117.51 121.57 1q21 h ILE 100 Ca 0.05 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 1q21 h ILE 100 Cb 0.33 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1q21 h ILE 100 CO 0.00 0.09 0.03 0.11 0.00 0.00 0.00 178.15 178.39 1q21 h LYS 101 N 0.51 1.09 0.76 2.37 1.57 -0.68 -2.51 116.57 119.69 1q21 h LYS 101 Ca 0.27 -0.33 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1q21 h LYS 101 Cb 0.23 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.44 1q21 h LYS 101 CO -0.21 1.05 -0.37 -0.09 -0.57 0.00 0.00 179.45 179.25 1q21 h ARG 102 N 1.00 -0.99 -0.40 3.15 2.43 0.13 0.26 114.38 119.96 1q21 h ARG 102 Ca 0.18 0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.36 1q21 h ARG 102 Cb 0.53 0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1q21 h ARG 102 CO 0.03 -0.66 -0.02 -0.39 -1.51 0.00 0.00 179.97 177.42 1q21 h VAL 103 N -1.02 1.22 -0.00 0.20 -1.51 -0.43 -2.81 116.25 111.90 1q21 h VAL 103 Ca -0.10 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.44 1q21 h VAL 103 Cb 0.79 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 1q21 h VAL 103 CO 0.17 0.32 -0.03 1.17 -1.23 0.00 0.00 177.57 177.97 1q21 n LYS 104 N -4.24 1.03 -3.99 5.19 3.00 -0.95 -4.91 118.16 113.29 1q21 n LYS 104 Ca 0.02 -0.27 -0.30 0.00 -0.00 0.00 0.00 58.31 57.76 1q21 n LYS 104 Cb 0.28 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 33.82 1q21 n LYS 104 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1q21 n ASP 105 N -0.75 -3.10 -3.58 3.14 8.00 0.03 -4.97 116.55 115.32 1q21 n ASP 105 Ca 0.20 -0.89 -0.06 0.00 0.71 0.00 0.00 54.79 54.74 1q21 n ASP 105 Cb 0.22 -3.42 -0.03 0.00 -0.02 0.00 0.00 41.12 37.86 1q21 n ASP 105 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1q21 s SER 106 N -3.63 -0.22 -0.43 -2.24 1.04 -0.90 -5.01 113.70 102.31 1q21 s SER 106 Ca 0.49 0.11 0.04 0.00 0.48 0.00 0.00 55.95 57.08 1q21 s SER 106 Cb -0.25 0.20 0.63 0.00 0.10 0.00 0.00 66.02 66.70 1q21 s SER 106 CO 0.87 -0.29 1.84 -0.67 0.98 0.00 0.00 173.24 175.97 1q21 n ASP 107 N 0.22 3.75 -3.18 7.02 -0.08 -1.26 -4.48 116.55 118.53 1q21 n ASP 107 Ca -0.04 -3.66 -0.20 0.00 -1.51 0.00 0.00 54.79 49.38 1q21 n ASP 107 Cb 0.59 -0.81 -0.05 0.00 2.34 0.00 0.00 41.12 43.19 1q21 n ASP 107 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1q21 n ASP 108 N -1.13 0.49 -4.28 1.67 -0.08 -1.26 -5.08 116.55 106.88 1q21 n ASP 108 Ca 0.55 -2.88 -0.31 0.00 -1.51 0.00 0.00 54.79 50.65 1q21 n ASP 108 Cb 1.51 -0.59 -0.16 0.00 2.34 0.00 0.00 41.12 44.22 1q21 n ASP 108 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1q21 s VAL 109 N -1.84 2.00 0.22 5.18 0.11 -1.26 -5.09 120.40 119.71 1q21 s VAL 109 Ca 0.38 -1.06 -0.31 0.00 -2.93 0.00 0.00 61.98 58.06 1q21 s VAL 109 Cb 0.27 -1.67 -0.11 0.00 -1.53 0.00 0.00 36.38 33.34 1q21 s VAL 109 CO -0.09 0.56 1.58 -2.84 -3.33 0.00 0.00 175.10 170.97 1q21 s PRO 110 N -0.37 4.19 0.06 1.54 0.02 -1.26 -4.94 135.00 134.24 1q21 s PRO 110 Ca 0.03 2.45 -0.16 0.00 0.02 0.00 0.00 61.00 63.34 1q21 s PRO 110 Cb -0.12 -3.10 0.03 0.00 0.02 0.00 0.00 34.50 31.33 1q21 s PRO 110 CO 0.01 -0.60 0.37 0.00 -0.33 0.00 0.00 177.00 176.45 1q21 s MET 111 N 0.47 0.91 -0.00 5.54 0.23 -1.26 -0.84 119.30 124.34 1q21 s MET 111 Ca 0.67 -0.49 0.03 0.00 -1.03 0.00 0.00 55.69 54.87 1q21 s MET 111 Cb -0.45 0.40 -0.01 0.00 -1.53 0.00 0.00 34.83 33.24 1q21 s MET 111 CO 0.38 -0.32 -0.11 0.08 -2.03 0.00 0.00 175.02 173.02 1q21 s VAL 112 N -2.80 0.88 -0.17 5.16 1.01 -0.53 -4.23 120.40 119.71 1q21 s VAL 112 Ca -0.03 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 1q21 s VAL 112 Cb -0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1q21 s VAL 112 CO -0.05 0.22 0.27 -0.22 0.00 0.00 0.00 175.10 175.32 1q21 s LEU 113 N -0.34 4.23 -0.12 3.92 2.96 0.16 -1.20 118.68 128.29 1q21 s LEU 113 Ca 0.04 0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 1q21 s LEU 113 Cb -0.05 -2.33 0.01 0.00 0.50 0.00 0.00 46.19 44.33 1q21 s LEU 113 CO -0.00 0.11 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.27 1q21 s VAL 114 N 0.48 1.68 -0.56 1.68 1.01 0.10 -0.99 120.40 123.80 1q21 s VAL 114 Ca 0.15 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.22 1q21 s VAL 114 Cb -0.13 -1.52 0.13 0.00 0.00 0.00 0.00 36.38 34.86 1q21 s VAL 114 CO 0.03 0.48 0.55 -0.83 0.00 0.00 0.00 175.10 175.33 1q21 s GLY 115 N 0.96 2.05 0.45 4.51 0.00 -0.43 -1.14 107.32 113.73 1q21 s GLY 115 Ca -0.06 -2.50 0.03 0.00 0.00 0.00 0.00 44.72 42.19 1q21 s GLY 115 CO -0.02 1.28 0.64 0.21 0.00 0.00 0.00 173.10 175.21 1q21 s ASN 116 N 3.56 5.65 -0.71 1.64 2.47 0.38 -1.37 114.94 126.56 1q21 s ASN 116 Ca 0.05 -0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.30 1q21 s ASN 116 Cb -0.28 -1.10 0.00 0.00 -1.45 0.00 0.00 41.25 38.42 1q21 s ASN 116 CO 0.03 -0.80 0.00 0.29 -3.72 0.00 0.00 177.10 172.90 1q21 n LYS 117 N -2.03 -0.53 0.00 0.43 5.02 -0.93 -0.62 118.16 119.50 1q21 n LYS 117 Ca 0.04 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1q21 n LYS 117 Cb 0.59 -4.45 0.00 0.00 -0.02 0.00 0.00 35.03 31.15 1q21 n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q21 h ASP 119 N 0.00 0.00 -3.43 0.00 2.03 -1.92 -3.44 116.42 109.66 1q21 h ASP 119 Ca 0.00 -0.05 -0.53 0.00 -0.73 0.00 0.00 57.03 55.72 1q21 h ASP 119 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 1q21 h ASP 119 CO 0.00 0.02 0.38 -0.76 -1.03 0.00 0.00 179.24 177.86 1q21 s LEU 120 N -5.21 4.40 -0.50 0.15 1.43 0.16 -4.93 118.68 114.18 1q21 s LEU 120 Ca 0.06 1.73 -0.14 0.00 -1.03 0.00 0.00 54.13 54.74 1q21 s LEU 120 Cb 0.09 -3.58 0.10 0.00 0.03 0.00 0.00 46.19 42.84 1q21 s LEU 120 CO 0.69 -0.23 0.42 0.00 0.23 0.00 0.00 176.35 177.46 1q21 s ALA 121 N 0.76 3.56 0.00 4.21 0.00 -1.26 -4.60 121.76 124.43 1q21 s ALA 121 Ca 0.51 -2.35 0.00 0.00 0.00 0.00 0.00 51.96 50.12 1q21 s ALA 121 Cb -0.22 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1q21 s ALA 121 CO 0.29 -1.87 0.00 0.00 0.00 0.00 0.00 175.76 174.18 1q21 n ALA 122 N 5.16 0.00 0.00 0.00 0.00 -1.26 -5.18 120.51 119.24 1q21 n ALA 122 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1q21 n ALA 122 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1q21 n ALA 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1q21 n ARG 123 N 0.00 0.00 0.00 0.00 1.74 -1.26 -4.99 116.66 112.15 1q21 n ARG 123 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1q21 n ARG 123 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1q21 n ARG 123 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1q21 n THR 124 N 1.63 0.00 -3.91 0.55 -2.24 -0.36 -4.96 114.28 104.99 1q21 n THR 124 Ca 0.00 -0.28 -0.28 0.00 -2.27 0.00 0.00 64.05 61.21 1q21 n THR 124 Cb 0.00 1.19 -0.16 0.00 -2.10 0.00 0.00 70.33 69.26 1q21 n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1q21 s VAL 125 N -0.31 1.19 0.21 2.28 1.01 -0.61 -4.77 120.40 119.38 1q21 s VAL 125 Ca 0.00 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.10 1q21 s VAL 125 Cb 0.00 -1.34 -0.08 0.00 0.00 0.00 0.00 36.38 34.96 1q21 s VAL 125 CO 0.00 0.14 0.73 -0.70 0.00 0.00 0.00 175.10 175.28 1q21 s GLU 126 N 1.60 4.32 0.30 2.72 -6.30 -1.26 -4.87 118.70 115.21 1q21 s GLU 126 Ca 0.01 0.93 0.05 0.00 -2.50 0.00 0.00 54.97 53.45 1q21 s GLU 126 Cb -0.15 -2.96 0.78 0.00 0.00 0.00 0.00 34.13 31.80 1q21 s GLU 126 CO -0.08 0.43 1.66 1.03 0.02 0.00 0.00 175.26 178.33 1q21 h SER 127 N 3.62 0.18 -0.05 -1.70 0.87 -1.99 0.72 113.55 115.21 1q21 h SER 127 Ca -0.48 0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.21 1q21 h SER 127 Cb 1.20 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.35 1q21 h SER 127 CO 0.65 -0.11 -0.10 0.03 -0.53 0.00 0.00 176.83 176.77 1q21 h ARG 128 N 0.28 0.32 -0.06 2.24 -0.00 -1.99 -1.34 114.38 113.84 1q21 h ARG 128 Ca 0.59 -0.07 -0.16 0.00 -0.50 0.00 0.00 59.98 59.83 1q21 h ARG 128 Cb 1.19 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 31.11 1q21 h ARG 128 CO -0.61 0.44 -0.66 -0.56 0.00 0.00 0.00 179.97 178.58 1q21 h GLN 129 N 0.31 0.24 -0.12 0.04 3.07 -1.24 -2.33 115.11 115.08 1q21 h GLN 129 Ca 0.06 -0.18 -0.03 0.00 0.09 0.00 0.00 58.65 58.59 1q21 h GLN 129 Cb 0.37 0.03 -0.00 0.00 0.08 0.00 0.00 27.48 27.96 1q21 h GLN 129 CO 0.02 0.81 -0.02 0.00 0.09 0.00 0.00 178.83 179.73 1q21 h ALA 130 N 1.14 0.17 -0.04 0.06 0.00 -1.47 -0.56 119.26 118.55 1q21 h ALA 130 Ca -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1q21 h ALA 130 Cb 1.19 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1q21 h ALA 130 CO 0.10 -0.10 -0.07 1.96 0.00 0.00 0.00 179.25 181.14 1q21 h GLN 131 N -0.07 0.06 -0.01 0.00 4.20 -1.22 0.39 115.11 118.46 1q21 h GLN 131 Ca 0.03 -0.01 -0.25 0.00 0.06 0.00 0.00 58.65 58.48 1q21 h GLN 131 Cb 0.43 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.21 1q21 h GLN 131 CO 0.01 0.14 -0.99 -0.44 -0.67 0.00 0.00 178.83 176.88 1q21 h ASP 132 N 0.06 0.77 -0.30 1.46 3.32 -1.05 -1.63 116.42 119.05 1q21 h ASP 132 Ca 0.01 -0.61 0.01 0.00 0.02 0.00 0.00 57.03 56.47 1q21 h ASP 132 Cb 0.17 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1q21 h ASP 132 CO 0.01 1.41 0.17 0.25 -1.72 0.00 0.00 179.24 179.36 1q21 h LEU 133 N 0.34 0.27 -0.93 1.55 5.85 -0.39 0.85 115.31 122.85 1q21 h LEU 133 Ca -0.11 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1q21 h LEU 133 Cb 1.64 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.57 1q21 h LEU 133 CO 0.19 0.20 0.61 0.00 -0.34 0.00 0.00 178.44 179.09 1q21 h ALA 134 N 1.13 1.18 -0.58 1.25 0.00 -0.21 -0.98 119.26 121.05 1q21 h ALA 134 Ca 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1q21 h ALA 134 Cb 0.01 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 1q21 h ALA 134 CO -0.06 0.59 0.36 0.00 0.00 0.00 0.00 179.25 180.14 1q21 h ARG 135 N 1.27 0.78 0.00 0.00 3.08 -0.74 0.36 114.38 119.13 1q21 h ARG 135 Ca 0.34 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.27 1q21 h ARG 135 Cb -0.13 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.75 1q21 h ARG 135 CO -0.07 0.55 -0.25 0.66 -1.07 0.00 0.00 179.97 179.79 1q21 h SER 136 N 0.78 0.00 1.61 7.04 4.64 -0.01 -2.32 113.55 125.29 1q21 h SER 136 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1q21 h SER 136 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1q21 h SER 136 CO -0.04 0.25 -0.17 1.88 -0.87 0.00 0.00 176.83 177.88 1q21 h TYR 137 N 0.00 0.00 0.00 4.77 0.05 0.08 -3.48 116.97 118.39 1q21 h TYR 137 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1q21 h TYR 137 Cb 0.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.26 1q21 h TYR 137 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 1q21 n GLY 138 N 1.20 0.58 3.40 3.88 0.00 0.11 -5.06 105.19 109.30 1q21 n GLY 138 Ca 0.04 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 1q21 n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1q21 s ILE 139 N -2.00 1.47 0.58 -0.61 -4.36 -0.18 -5.02 121.20 111.07 1q21 s ILE 139 Ca 0.00 -2.10 -0.13 0.00 -0.26 0.00 0.00 60.65 58.16 1q21 s ILE 139 Cb 0.00 -2.42 -0.05 0.00 1.25 0.00 0.00 42.46 41.23 1q21 s ILE 139 CO 0.00 -0.31 1.01 -2.84 0.24 0.00 0.00 174.94 173.05 1q21 s PRO 140 N -3.77 3.72 -0.11 0.37 0.02 -1.26 -4.28 135.00 129.69 1q21 s PRO 140 Ca 0.29 0.84 0.01 0.00 0.02 0.00 0.00 61.00 62.17 1q21 s PRO 140 Cb 0.04 -2.10 0.02 0.00 0.02 0.00 0.00 34.50 32.48 1q21 s PRO 140 CO 0.11 -0.47 -0.15 -0.47 -0.33 0.00 0.00 177.00 175.69 1q21 s TYR 141 N -2.95 1.94 0.00 6.54 5.04 -1.26 -0.67 117.35 126.00 1q21 s TYR 141 Ca 0.57 -0.93 0.05 0.00 -2.44 0.00 0.00 57.07 54.31 1q21 s TYR 141 Cb -0.11 -1.42 -0.01 0.00 0.35 0.00 0.00 41.96 40.77 1q21 s TYR 141 CO 0.45 -0.49 -0.14 -1.50 -1.34 0.00 0.00 175.55 172.53 1q21 s ILE 142 N 1.07 1.12 -0.15 3.14 2.07 -0.17 -4.97 121.20 123.31 1q21 s ILE 142 Ca -0.05 -0.72 -0.08 0.00 -1.41 0.00 0.00 60.65 58.39 1q21 s ILE 142 Cb -0.15 -0.96 -0.04 0.00 0.13 0.00 0.00 42.46 41.44 1q21 s ILE 142 CO -0.03 0.23 0.13 -1.61 -1.91 0.00 0.00 174.94 171.75 1q21 s GLU 143 N -0.56 3.76 0.30 3.50 2.02 -1.26 -1.31 118.70 125.15 1q21 s GLU 143 Ca 0.04 -0.18 0.03 0.00 0.02 0.00 0.00 54.97 54.88 1q21 s GLU 143 Cb -0.06 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 1q21 s GLU 143 CO -0.00 0.56 0.12 0.95 0.02 0.00 0.00 175.26 176.91 1q21 s THR 144 N -0.39 0.56 -0.16 3.63 -4.23 -0.47 -4.47 115.64 110.11 1q21 s THR 144 Ca 0.12 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.59 1q21 s THR 144 Cb -0.12 -2.58 0.07 0.00 1.34 0.00 0.00 72.50 71.21 1q21 s THR 144 CO 0.01 0.00 0.18 -0.55 -0.54 0.00 0.00 174.62 173.72 1q21 s SER 145 N -3.39 1.30 0.30 3.99 0.15 -0.11 -1.86 113.70 114.08 1q21 s SER 145 Ca 0.35 -0.07 0.07 0.00 0.70 0.00 0.00 55.95 57.00 1q21 s SER 145 Cb 0.06 0.25 0.49 0.00 -1.71 0.00 0.00 66.02 65.11 1q21 s SER 145 CO 0.15 -0.30 1.72 0.00 1.20 0.00 0.00 173.24 176.02 1q21 h ALA 146 N 8.35 1.15 -0.03 5.45 0.00 -1.90 0.86 119.26 133.14 1q21 h ALA 146 Ca -0.15 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.38 1q21 h ALA 146 Cb 1.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1q21 h ALA 146 CO 0.23 0.56 -0.05 -0.22 0.00 0.00 0.00 179.25 179.77 1q21 h LYS 147 N 0.21 -0.08 -0.01 0.00 3.11 -1.94 -3.27 116.57 114.58 1q21 h LYS 147 Ca 0.02 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 1q21 h LYS 147 Cb 0.77 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.02 1q21 h LYS 147 CO 0.06 -0.05 -0.37 0.25 -2.81 0.00 0.00 179.45 176.52 1q21 n THR 148 N -5.17 0.00 -0.33 1.00 -2.24 -1.17 -4.84 114.28 101.53 1q21 n THR 148 Ca -0.06 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1q21 n THR 148 Cb 0.10 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 1q21 n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1q21 n ARG 149 N -0.03 0.00 -1.81 -0.78 0.63 0.29 -4.99 116.66 109.97 1q21 n ARG 149 Ca 0.08 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.59 1q21 n ARG 149 Cb 0.39 -1.89 -0.03 0.00 0.45 0.00 0.00 32.46 31.38 1q21 n ARG 149 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1q21 s GLN 150 N -0.01 4.16 0.00 -0.14 -1.52 -1.18 -2.48 119.66 118.49 1q21 s GLN 150 Ca 0.00 2.50 0.00 0.00 -1.95 0.00 0.00 55.36 55.91 1q21 s GLN 150 Cb 0.00 -3.33 0.00 0.00 -0.22 0.00 0.00 33.01 29.46 1q21 s GLN 150 CO 0.00 -0.74 0.00 0.41 -0.25 0.00 0.00 175.29 174.71 1q21 n GLY 151 N 4.00 3.00 0.33 3.09 0.00 -1.26 -0.93 105.19 113.42 1q21 n GLY 151 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 1q21 n GLY 151 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1q21 h VAL 152 N 0.00 1.23 -0.40 1.61 -1.51 -1.77 0.16 116.25 115.57 1q21 h VAL 152 Ca 0.00 -0.43 -0.08 0.00 -1.23 0.00 0.00 66.70 64.96 1q21 h VAL 152 Cb 0.00 -0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 29.12 1q21 h VAL 152 CO 0.00 0.22 -0.06 -0.33 -1.23 0.00 0.00 177.57 176.18 1q21 h GLU 153 N 1.17 0.75 -0.67 5.19 5.08 -1.91 -2.45 114.58 121.73 1q21 h GLU 153 Ca 0.31 -0.27 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1q21 h GLU 153 Cb -0.11 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 1q21 h GLU 153 CO -0.07 0.86 0.42 -0.44 -1.00 0.00 0.00 179.01 178.79 1q21 h ASP 154 N 0.57 0.69 0.66 1.42 3.32 -1.85 0.37 116.42 121.60 1q21 h ASP 154 Ca 0.11 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1q21 h ASP 154 Cb 0.56 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1q21 h ASP 154 CO 0.03 0.48 -0.50 0.00 -1.72 0.00 0.00 179.24 177.54 1q21 h ALA 155 N 1.28 -1.21 -0.71 3.45 0.00 -0.56 0.35 119.26 121.87 1q21 h ALA 155 Ca 0.27 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1q21 h ALA 155 Cb 0.00 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1q21 h ALA 155 CO -0.10 -1.21 0.35 0.74 0.00 0.00 0.00 179.25 179.04 1q21 h PHE 156 N -1.12 1.01 0.00 0.00 -1.00 -1.29 -1.44 116.94 113.11 1q21 h PHE 156 Ca -0.09 -0.04 -0.06 0.00 2.81 0.00 0.00 57.97 60.59 1q21 h PHE 156 Cb 0.93 -0.32 -0.01 0.00 3.61 0.00 0.00 35.95 40.16 1q21 h PHE 156 CO -0.18 0.74 -0.27 1.88 -1.61 0.00 0.00 178.31 178.87 1q21 h TYR 157 N 0.99 0.00 -0.42 -0.55 0.05 -0.21 -0.58 116.97 116.24 1q21 h TYR 157 Ca 0.25 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.88 1q21 h TYR 157 Cb 0.10 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 1q21 h TYR 157 CO 0.00 0.27 -0.30 1.15 -1.05 0.00 0.00 178.16 178.23 1q21 h THR 158 N 0.00 1.27 -0.65 -2.88 2.02 -0.54 -0.82 112.91 111.31 1q21 h THR 158 Ca -0.00 -1.47 -0.03 0.00 0.77 0.00 0.00 66.41 65.68 1q21 h THR 158 Cb 0.61 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1q21 h THR 158 CO 0.03 0.50 0.30 0.25 0.37 0.00 0.00 175.52 176.97 1q21 h LEU 159 N 0.78 0.86 -0.64 2.58 5.85 -0.46 -0.87 115.31 123.41 1q21 h LEU 159 Ca 0.08 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1q21 h LEU 159 Cb 0.88 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1q21 h LEU 159 CO 0.08 0.76 0.40 0.58 -0.34 0.00 0.00 178.44 179.92 1q21 h VAL 160 N 0.90 1.08 -0.73 1.05 2.07 -0.90 -0.85 116.25 118.87 1q21 h VAL 160 Ca 0.22 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1q21 h VAL 160 Cb 0.14 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 1q21 h VAL 160 CO -0.03 0.14 0.49 0.03 0.02 0.00 0.00 177.57 178.22 1q21 h ARG 161 N 0.78 0.94 -0.57 1.57 3.08 -0.48 0.64 114.38 120.34 1q21 h ARG 161 Ca 0.26 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 1q21 h ARG 161 Cb 0.01 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 1q21 h ARG 161 CO -0.10 0.62 0.16 0.93 -1.07 0.00 0.00 179.97 180.51 1q21 h GLU 162 N 0.97 0.91 -0.61 0.04 4.39 -0.59 -0.53 114.58 119.15 1q21 h GLU 162 Ca 0.28 -0.21 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 1q21 h GLU 162 Cb -0.07 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 1q21 h GLU 162 CO -0.07 0.83 0.13 0.82 -1.16 0.00 0.00 179.01 179.57 1q21 h ILE 163 N 0.82 1.26 -0.15 3.13 2.04 -0.03 -1.19 117.51 123.38 1q21 h ILE 163 Ca 0.18 -0.95 0.02 0.00 1.00 0.00 0.00 64.86 65.11 1q21 h ILE 163 Cb 0.32 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1q21 h ILE 163 CO -0.00 0.36 0.00 -0.09 0.00 0.00 0.00 178.15 178.41 1q21 h ARG 164 N 0.91 0.05 -0.55 2.37 2.43 -0.62 0.24 114.38 119.21 1q21 h ARG 164 Ca 0.19 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1q21 h ARG 164 Cb 0.38 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1q21 h ARG 164 CO 0.01 0.03 0.26 1.96 -1.51 0.00 0.00 179.97 180.72 1q21 h GLN 165 N 0.05 0.80 -0.78 0.20 1.08 -1.05 0.27 115.11 115.68 1q21 h GLN 165 Ca 0.07 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1q21 h GLN 165 Cb 0.08 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.33 1q21 h GLN 165 CO -0.12 0.66 0.48 1.25 -0.95 0.00 0.00 178.83 180.16 1q21 h HIS 166 N 0.75 1.02 -0.18 2.96 2.76 -0.43 -0.88 115.15 121.14 1q21 h HIS 166 Ca 0.19 0.01 -0.19 0.00 -2.20 0.00 0.00 60.37 58.18 1q21 h HIS 166 Cb 0.13 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 28.75 1q21 h HIS 166 CO -0.00 0.67 -0.65 0.87 -1.30 0.00 0.00 177.93 177.52 1q21 h LYS 167 N 1.07 0.65 0.00 5.26 1.57 0.05 -2.92 116.57 122.26 1q21 h LYS 167 Ca 0.28 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1q21 h LYS 167 Cb -0.07 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1q21 h LYS 167 CO -0.06 1.09 0.00 -0.07 -0.57 0.00 0.00 179.45 179.84 1q21 h LEU 168 N 0.48 0.00 -1.32 2.94 3.38 0.37 -2.97 115.31 118.19 1q21 h LEU 168 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1q21 h LEU 168 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1q21 h LEU 168 CO 0.13 0.00 -0.02 0.03 0.09 0.00 0.00 178.44 178.67 1q21 h ARG 169 N 0.00 0.00 -0.00 1.13 3.08 -0.98 -2.49 114.38 115.12 1q21 h ARG 169 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1q21 h ARG 169 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1q21 h ARG 169 CO 0.00 0.02 -0.01 1.17 -1.07 0.00 0.00 179.97 180.08 1q21 n LYS 170 N -3.12 0.50 0.00 0.04 3.00 -1.12 -5.14 118.16 112.32 1q21 n LYS 170 Ca 0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1q21 n LYS 170 Cb 0.33 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.86 1q21 n LYS 170 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68