#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q23 s GLY 7 N 0.00 2.11 0.03 3.38 0.00 -1.26 -5.07 107.32 106.52 1q23 s GLY 7 Ca 0.00 -0.83 -0.19 0.00 0.00 0.00 0.00 44.72 43.70 1q23 s GLY 7 CO 0.00 -0.74 0.43 -2.52 0.00 0.00 0.00 173.10 170.27 1q23 s TYR 8 N -1.31 -0.29 -0.11 1.90 -0.85 -1.26 -1.79 117.35 113.64 1q23 s TYR 8 Ca 0.27 0.30 -0.03 0.00 -0.52 0.00 0.00 57.07 57.09 1q23 s TYR 8 Cb -0.12 0.23 -0.03 0.00 0.38 0.00 0.00 41.96 42.41 1q23 s TYR 8 CO 0.19 -0.56 -0.00 0.95 -1.52 0.00 0.00 175.55 174.60 1q23 s THR 9 N -2.30 4.24 -0.18 -3.49 -4.23 -0.17 -4.92 115.64 104.59 1q23 s THR 9 Ca -0.06 -0.26 -0.29 0.00 -1.18 0.00 0.00 61.69 59.90 1q23 s THR 9 Cb -0.01 -2.81 -0.00 0.00 1.34 0.00 0.00 72.50 71.02 1q23 s THR 9 CO -0.01 0.57 1.01 -0.89 -0.54 0.00 0.00 174.62 174.76 1q23 s THR 10 N -0.51 4.73 0.13 3.99 2.01 -1.26 -0.85 115.64 123.88 1q23 s THR 10 Ca 0.09 2.01 -0.30 0.00 0.31 0.00 0.00 61.69 63.80 1q23 s THR 10 Cb -0.12 -4.30 -0.06 0.00 0.01 0.00 0.00 72.50 68.03 1q23 s THR 10 CO 0.02 -0.10 1.06 -0.69 -0.69 0.00 0.00 174.62 174.22 1q23 s VAL 11 N 2.67 4.17 -0.45 3.82 1.01 -0.24 -4.98 120.40 126.40 1q23 s VAL 11 Ca 0.45 1.78 -0.22 0.00 0.00 0.00 0.00 61.98 63.99 1q23 s VAL 11 Cb -0.16 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.10 1q23 s VAL 11 CO 0.11 0.26 0.73 -0.62 0.00 0.00 0.00 175.10 175.59 1q23 s ASP 12 N 0.14 6.38 0.41 3.32 3.68 -1.26 -4.80 116.67 124.53 1q23 s ASP 12 Ca 0.50 -0.20 0.28 0.00 2.13 0.00 0.00 52.55 55.26 1q23 s ASP 12 Cb -0.27 -2.36 1.07 0.00 -1.45 0.00 0.00 42.92 39.91 1q23 s ASP 12 CO 0.32 -0.86 1.83 0.40 0.13 0.00 0.00 175.17 176.99 1q23 h ILE 13 N 5.94 0.00 -0.14 4.11 1.08 -1.96 -3.41 117.51 123.13 1q23 h ILE 13 Ca -0.25 -0.47 -0.07 0.00 -0.39 0.00 0.00 64.86 63.68 1q23 h ILE 13 Cb 1.09 1.38 -0.01 0.00 -3.07 0.00 0.00 36.82 36.21 1q23 h ILE 13 CO 0.93 0.00 -0.24 0.77 -0.69 0.00 0.00 178.15 178.92 1q23 h SER 14 N 0.00 0.24 -0.28 1.72 4.64 -2.02 0.14 113.55 117.99 1q23 h SER 14 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1q23 h SER 14 Cb 0.54 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1q23 h SER 14 CO 0.00 0.50 0.00 0.00 -0.87 0.00 0.00 176.83 176.46 1q23 n GLN 15 N -4.17 2.84 -1.68 4.77 1.13 -1.26 -5.00 117.38 114.01 1q23 n GLN 15 Ca -0.01 -1.94 -0.43 0.00 -1.94 0.00 0.00 57.00 52.69 1q23 n GLN 15 Cb 0.36 -1.22 -0.03 0.00 0.11 0.00 0.00 30.24 29.45 1q23 n GLN 15 CO 0.00 0.00 0.00 1.87 -1.44 0.00 0.00 177.06 177.49 1q23 n TRP 16 N 0.34 2.55 0.29 1.08 -0.00 0.48 -4.88 117.44 117.31 1q23 n TRP 16 Ca 0.09 -0.25 0.17 0.00 -0.00 0.00 0.00 57.50 57.51 1q23 n TRP 16 Cb 0.39 -2.76 0.95 0.00 -0.00 0.00 0.00 31.31 29.89 1q23 n TRP 16 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1q23 h HIS 17 N 9.56 0.00 -0.47 5.87 3.86 -1.95 0.25 115.15 132.28 1q23 h HIS 17 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 1q23 h HIS 17 Cb 1.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.70 1q23 h HIS 17 CO 0.87 0.00 0.00 0.54 0.86 0.00 0.00 177.93 180.20 1q23 n ARG 18 N -3.71 3.71 -0.12 2.45 1.74 -1.26 -4.61 116.66 114.86 1q23 n ARG 18 Ca -0.02 -2.36 -0.05 0.00 -0.77 0.00 0.00 57.85 54.64 1q23 n ARG 18 Cb 0.11 -1.98 0.01 0.00 -1.02 0.00 0.00 32.46 29.59 1q23 n ARG 18 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1q23 h LYS 19 N 3.13 -0.11 -0.24 5.56 3.64 -0.75 0.22 116.57 128.02 1q23 h LYS 19 Ca 0.00 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1q23 h LYS 19 Cb 1.49 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.32 1q23 h LYS 19 CO 0.31 -0.07 0.01 1.49 -2.27 0.00 0.00 179.45 178.92 1q23 h GLU 20 N -0.11 0.42 -0.27 1.90 4.81 -1.81 -0.82 114.58 118.69 1q23 h GLU 20 Ca 0.20 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1q23 h GLU 20 Cb 0.41 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1q23 h GLU 20 CO -0.48 0.59 0.17 0.45 -0.73 0.00 0.00 179.01 179.01 1q23 h HIS 21 N 0.19 0.36 -0.37 0.92 -0.00 -1.75 -0.01 115.15 114.50 1q23 h HIS 21 Ca 0.07 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.49 1q23 h HIS 21 Cb 0.40 -0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 27.65 1q23 h HIS 21 CO 0.03 0.27 0.10 0.35 -0.00 0.00 0.00 177.93 178.68 1q23 h PHE 22 N 0.35 0.18 -0.68 2.45 3.04 -0.36 0.20 116.94 122.11 1q23 h PHE 22 Ca 0.10 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.04 1q23 h PHE 22 Cb 0.01 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.46 1q23 h PHE 22 CO -0.05 0.06 0.31 0.93 -2.02 0.00 0.00 178.31 177.54 1q23 h GLU 23 N 0.24 0.98 -0.61 1.11 5.08 -0.91 -0.16 114.58 120.32 1q23 h GLU 23 Ca 0.17 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1q23 h GLU 23 Cb 0.17 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1q23 h GLU 23 CO -0.20 0.78 -0.01 0.00 -1.00 0.00 0.00 179.01 178.58 1q23 h ALA 24 N 1.36 0.83 0.00 3.43 0.00 0.02 -3.15 119.26 121.75 1q23 h ALA 24 Ca 0.23 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1q23 h ALA 24 Cb 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1q23 h ALA 24 CO -0.03 0.67 -0.09 1.19 0.00 0.00 0.00 179.25 180.99 1q23 n PHE 25 N -4.17 0.43 1.57 0.00 0.99 0.60 -0.10 117.46 116.77 1q23 n PHE 25 Ca 0.03 0.13 0.13 0.00 -0.00 0.00 0.00 57.45 57.74 1q23 n PHE 25 Cb 0.36 -0.67 0.58 0.00 -1.00 0.00 0.00 39.48 38.74 1q23 n PHE 25 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1q23 n GLN 26 N -1.86 1.52 0.00 -1.08 1.13 -0.15 -3.92 117.38 113.02 1q23 n GLN 26 Ca 0.06 -0.76 0.00 0.00 -1.94 0.00 0.00 57.00 54.36 1q23 n GLN 26 Cb 0.39 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.28 1q23 n GLN 26 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1q23 n SER 27 N -0.07 0.00 0.16 1.08 3.41 -0.16 -4.91 113.62 113.14 1q23 n SER 27 Ca 0.19 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.83 1q23 n SER 27 Cb 0.29 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.43 1q23 n SER 27 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1q23 h VAL 28 N 0.00 1.06 -0.27 -3.33 2.07 -1.68 -2.09 116.25 112.00 1q23 h VAL 28 Ca 0.00 -1.97 -0.05 0.00 0.82 0.00 0.00 66.70 65.50 1q23 h VAL 28 Cb 0.00 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1q23 h VAL 28 CO 0.00 0.50 -0.01 0.00 0.02 0.00 0.00 177.57 178.08 1q23 n ALA 29 N -2.31 3.29 -1.78 1.67 0.00 0.85 -5.03 120.51 117.21 1q23 n ALA 29 Ca 0.00 -2.54 -0.41 0.00 0.00 0.00 0.00 53.44 50.49 1q23 n ALA 29 Cb 0.62 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 19.35 1q23 n ALA 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1q23 s GLN 30 N -2.94 4.17 -0.01 0.00 0.74 -0.79 -4.66 119.66 116.17 1q23 s GLN 30 Ca 0.42 2.48 -0.28 0.00 0.05 0.00 0.00 55.36 58.03 1q23 s GLN 30 Cb 0.36 -3.01 0.10 0.00 1.10 0.00 0.00 33.01 31.55 1q23 s GLN 30 CO 0.06 -0.48 0.84 0.00 -0.55 0.00 0.00 175.29 175.16 1q23 s THR 32 N -2.58 2.94 0.03 0.00 2.01 -1.26 -1.69 115.64 115.09 1q23 s THR 32 Ca 0.01 -1.97 -0.11 0.00 0.31 0.00 0.00 61.69 59.93 1q23 s THR 32 Cb -0.01 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 70.02 1q23 s THR 32 CO -0.05 -0.25 0.24 -0.72 -0.69 0.00 0.00 174.62 173.15 1q23 s TYR 33 N -2.04 -0.03 0.03 4.92 -0.85 -0.63 -4.92 117.35 113.82 1q23 s TYR 33 Ca 0.27 -0.10 0.06 0.00 -0.52 0.00 0.00 57.07 56.78 1q23 s TYR 33 Cb -0.07 0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.27 1q23 s TYR 33 CO 0.15 -0.43 -0.18 -0.80 -1.52 0.00 0.00 175.55 172.77 1q23 s ASN 34 N -1.89 2.18 -0.03 -0.18 -0.87 -1.26 -0.96 114.94 111.93 1q23 s ASN 34 Ca -0.07 -0.46 -0.07 0.00 -1.57 0.00 0.00 52.86 50.69 1q23 s ASN 34 Cb -0.02 -0.18 0.01 0.00 -0.02 0.00 0.00 41.25 41.03 1q23 s ASN 34 CO -0.02 0.14 0.16 -1.58 -2.57 0.00 0.00 177.10 173.23 1q23 s GLN 35 N -1.01 0.32 -0.03 -0.60 0.74 -0.97 -4.98 119.66 113.13 1q23 s GLN 35 Ca 0.06 -0.04 0.06 0.00 0.05 0.00 0.00 55.36 55.49 1q23 s GLN 35 Cb -0.08 0.14 -0.01 0.00 1.10 0.00 0.00 33.01 34.16 1q23 s GLN 35 CO 0.01 -0.06 -0.22 0.99 -0.55 0.00 0.00 175.29 175.46 1q23 s THR 36 N -0.56 1.75 0.18 -0.34 2.01 -1.26 -1.60 115.64 115.82 1q23 s THR 36 Ca -0.06 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.09 1q23 s THR 36 Cb -0.04 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 1q23 s THR 36 CO 0.01 0.50 -0.17 0.54 -0.69 0.00 0.00 174.62 174.80 1q23 s VAL 37 N -0.33 1.81 -0.53 3.82 0.11 -0.42 -4.98 120.40 119.88 1q23 s VAL 37 Ca 0.03 -2.00 -0.17 0.00 -2.93 0.00 0.00 61.98 56.92 1q23 s VAL 37 Cb -0.10 -1.90 0.10 0.00 -1.53 0.00 0.00 36.38 32.95 1q23 s VAL 37 CO 0.01 -0.39 0.54 -1.10 -3.33 0.00 0.00 175.10 170.83 1q23 s GLN 38 N -3.02 3.02 0.17 1.54 -1.52 -1.26 -1.62 119.66 116.98 1q23 s GLN 38 Ca 0.18 -1.44 -0.28 0.00 -1.95 0.00 0.00 55.36 51.87 1q23 s GLN 38 Cb -0.05 -4.23 -0.08 0.00 -0.22 0.00 0.00 33.01 28.44 1q23 s GLN 38 CO 0.07 -1.29 0.86 -1.17 -0.25 0.00 0.00 175.29 173.51 1q23 s LEU 39 N 1.98 4.59 -0.49 2.90 0.20 -0.93 -4.82 118.68 122.11 1q23 s LEU 39 Ca 0.07 1.76 -0.19 0.00 0.69 0.00 0.00 54.13 56.45 1q23 s LEU 39 Cb -0.26 -3.45 0.05 0.00 -0.43 0.00 0.00 46.19 42.10 1q23 s LEU 39 CO 0.06 0.13 0.63 -0.62 -0.29 0.00 0.00 176.35 176.25 1q23 s ASP 40 N -0.88 6.25 -0.17 3.68 3.68 -1.26 -1.42 116.67 126.54 1q23 s ASP 40 Ca 0.40 -0.75 0.16 0.00 2.13 0.00 0.00 52.55 54.48 1q23 s ASP 40 Cb -0.24 -2.30 0.57 0.00 -1.45 0.00 0.00 42.92 39.50 1q23 s ASP 40 CO 0.29 -0.86 1.47 2.30 0.13 0.00 0.00 175.17 178.50 1q23 n ILE 41 N 5.67 2.23 -0.22 4.11 -5.35 0.04 -4.74 119.36 121.11 1q23 n ILE 41 Ca -0.05 -1.68 -0.12 0.00 -0.27 0.00 0.00 62.75 60.63 1q23 n ILE 41 Cb 0.46 -0.17 -0.08 0.00 -1.74 0.00 0.00 39.64 38.11 1q23 n ILE 41 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1q23 h THR 42 N 2.32 0.02 0.47 7.28 2.02 -1.83 0.74 112.91 123.93 1q23 h THR 42 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1q23 h THR 42 Cb 1.47 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1q23 h THR 42 CO 0.25 0.00 -0.22 0.00 0.37 0.00 0.00 175.52 175.92 1q23 h ALA 43 N 0.25 -0.63 -0.26 6.16 0.00 -1.89 -1.84 119.26 121.05 1q23 h ALA 43 Ca 0.12 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1q23 h ALA 43 Cb 0.55 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 1q23 h ALA 43 CO -0.70 -0.72 -0.26 0.35 0.00 0.00 0.00 179.25 177.92 1q23 h PHE 44 N -0.89 -0.70 -0.76 0.00 3.57 -1.53 0.42 116.94 117.06 1q23 h PHE 44 Ca -0.06 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.56 1q23 h PHE 44 Cb 0.58 0.35 -0.07 0.00 2.79 0.00 0.00 35.95 39.60 1q23 h PHE 44 CO 0.01 -0.34 0.42 1.25 -2.23 0.00 0.00 178.31 177.42 1q23 h LEU 45 N -0.26 0.60 -0.10 0.59 6.46 0.45 -2.14 115.31 120.91 1q23 h LEU 45 Ca 0.14 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.99 1q23 h LEU 45 Cb 0.48 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.28 1q23 h LEU 45 CO -0.41 0.36 -0.27 0.11 -0.62 0.00 0.00 178.44 177.61 1q23 h LYS 46 N 0.73 -0.34 -0.57 1.25 1.57 -0.59 0.25 116.57 118.86 1q23 h LYS 46 Ca 0.36 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1q23 h LYS 46 Cb 0.31 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1q23 h LYS 46 CO -0.23 -0.23 0.36 1.15 -0.57 0.00 0.00 179.45 179.94 1q23 h THR 47 N -0.35 1.16 -0.08 -0.16 2.02 -0.71 -1.63 112.91 113.16 1q23 h THR 47 Ca 0.09 -0.32 0.02 0.00 0.77 0.00 0.00 66.41 66.97 1q23 h THR 47 Cb 0.49 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1q23 h THR 47 CO -0.31 0.16 -0.02 0.58 0.37 0.00 0.00 175.52 176.31 1q23 h VAL 48 N 0.78 0.93 -0.38 3.16 2.07 -1.19 -0.70 116.25 120.91 1q23 h VAL 48 Ca 0.21 -0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.64 1q23 h VAL 48 Cb -0.06 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1q23 h VAL 48 CO -0.04 0.00 -0.12 0.11 0.02 0.00 0.00 177.57 177.54 1q23 h LYS 49 N 0.01 0.67 0.00 1.57 1.57 -0.67 -1.08 116.57 118.64 1q23 h LYS 49 Ca 0.04 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1q23 h LYS 49 Cb 0.06 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1q23 h LYS 49 CO -0.08 0.77 -0.31 -0.22 -0.57 0.00 0.00 179.45 179.04 1q23 h LYS 50 N 0.61 0.00 -0.01 3.15 3.64 -1.22 -2.92 116.57 119.83 1q23 h LYS 50 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1q23 h LYS 50 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1q23 h LYS 50 CO 0.03 0.00 -0.47 0.09 -2.27 0.00 0.00 179.45 176.84 1q23 n ASN 51 N -2.49 1.48 -3.91 4.20 4.13 -0.28 -4.93 115.26 113.47 1q23 n ASN 51 Ca 0.04 -1.17 -0.25 0.00 1.68 0.00 0.00 54.58 54.88 1q23 n ASN 51 Cb 0.47 0.41 -0.01 0.00 -1.54 0.00 0.00 39.78 39.11 1q23 n ASN 51 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1q23 n LYS 52 N -0.49 -3.60 -2.53 3.52 4.76 -0.53 -5.01 118.16 114.29 1q23 n LYS 52 Ca 0.09 0.44 -0.27 0.00 -2.87 0.00 0.00 58.31 55.70 1q23 n LYS 52 Cb 0.40 -4.65 0.01 0.00 -1.84 0.00 0.00 35.03 28.95 1q23 n LYS 52 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1q23 s HIS 53 N -3.91 3.49 -0.02 2.13 3.76 -0.52 -5.04 115.29 115.19 1q23 s HIS 53 Ca 0.00 0.80 -0.22 0.00 -0.15 0.00 0.00 55.06 55.50 1q23 s HIS 53 Cb -0.00 -2.44 -0.05 0.00 1.11 0.00 0.00 32.58 31.20 1q23 s HIS 53 CO 0.87 -0.44 0.63 0.15 -0.85 0.00 0.00 174.74 175.11 1q23 s LYS 54 N -4.83 4.37 0.07 1.40 3.01 -1.26 -4.79 119.74 117.71 1q23 s LYS 54 Ca 0.49 0.80 -0.21 0.00 -1.01 0.00 0.00 55.97 56.04 1q23 s LYS 54 Cb -0.10 -3.37 -0.12 0.00 -1.01 0.00 0.00 37.83 33.23 1q23 s LYS 54 CO 0.46 0.28 1.55 0.35 0.51 0.00 0.00 175.35 178.50 1q23 h PHE 55 N 5.93 0.25 0.78 3.18 3.57 -1.97 -2.87 116.94 125.81 1q23 h PHE 55 Ca -0.44 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 60.99 1q23 h PHE 55 Cb 1.20 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.88 1q23 h PHE 55 CO 0.65 0.39 -0.37 -0.92 -2.23 0.00 0.00 178.31 175.83 1q23 h TYR 56 N 0.04 -0.97 -1.00 0.41 3.20 -1.99 -0.88 116.97 115.79 1q23 h TYR 56 Ca 0.05 -0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.07 1q23 h TYR 56 Cb 0.27 0.32 -0.10 0.00 1.54 0.00 0.00 36.73 38.76 1q23 h TYR 56 CO 0.01 -0.60 0.62 -1.00 -1.64 0.00 0.00 178.16 175.55 1q23 h PRO 57 N -1.14 0.76 -0.63 1.82 0.13 -1.99 0.46 132.00 131.41 1q23 h PRO 57 Ca -0.11 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 65.01 1q23 h PRO 57 Cb 0.80 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 31.72 1q23 h PRO 57 CO 0.17 0.50 0.38 0.00 -0.23 0.00 0.00 178.00 178.83 1q23 h ALA 58 N 1.62 0.82 0.08 -0.56 0.00 -1.25 -1.17 119.26 118.80 1q23 h ALA 58 Ca 0.55 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 55.19 1q23 h ALA 58 Cb 0.84 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1q23 h ALA 58 CO -0.34 0.12 -1.24 0.35 0.00 0.00 0.00 179.25 178.14 1q23 h PHE 59 N 0.75 0.29 -0.87 0.00 3.57 0.32 -2.33 116.94 118.67 1q23 h PHE 59 Ca 0.26 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1q23 h PHE 59 Cb 0.04 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 1q23 h PHE 59 CO -0.05 1.19 0.55 0.82 -2.23 0.00 0.00 178.31 178.58 1q23 h ILE 60 N 0.04 1.23 -0.66 1.41 2.04 -0.12 -2.11 117.51 119.34 1q23 h ILE 60 Ca -0.12 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 1q23 h ILE 60 Cb 1.91 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1q23 h ILE 60 CO 0.16 0.23 0.24 -0.74 0.00 0.00 0.00 178.15 178.05 1q23 h HIS 61 N 1.19 1.01 -0.29 1.37 2.76 -0.68 0.25 115.15 120.75 1q23 h HIS 61 Ca 0.32 -0.07 -0.13 0.00 -2.20 0.00 0.00 60.37 58.28 1q23 h HIS 61 Cb -0.09 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.55 1q23 h HIS 61 CO 0.00 0.79 -0.35 0.82 -1.30 0.00 0.00 177.93 177.89 1q23 h ILE 62 N 0.97 1.29 -0.32 6.26 2.04 -1.11 -0.24 117.51 126.38 1q23 h ILE 62 Ca 0.22 -1.49 -0.06 0.00 1.00 0.00 0.00 64.86 64.53 1q23 h ILE 62 Cb 0.22 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1q23 h ILE 62 CO -0.01 0.48 -0.03 -0.07 0.00 0.00 0.00 178.15 178.52 1q23 h LEU 63 N 0.55 0.58 -1.40 1.44 3.38 -0.70 -2.54 115.31 116.62 1q23 h LEU 63 Ca 0.06 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1q23 h LEU 63 Cb 0.86 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1q23 h LEU 63 CO 0.07 0.77 0.30 0.00 0.09 0.00 0.00 178.44 179.68 1q23 h ALA 64 N 0.83 1.55 -0.68 1.53 0.00 -0.26 -0.70 119.26 121.52 1q23 h ALA 64 Ca 0.09 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1q23 h ALA 64 Cb 0.49 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1q23 h ALA 64 CO 0.02 0.39 0.23 0.00 0.00 0.00 0.00 179.25 179.89 1q23 h ARG 65 N 0.72 1.03 0.03 0.00 3.08 -0.79 -1.87 114.38 116.57 1q23 h ARG 65 Ca 0.19 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1q23 h ARG 65 Cb -0.01 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1q23 h ARG 65 CO -0.03 0.87 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.65 1q23 h LEU 66 N 1.00 -0.03 -1.01 3.04 3.38 -1.00 -2.70 115.31 117.99 1q23 h LEU 66 Ca 0.22 -0.38 0.09 0.00 0.09 0.00 0.00 57.88 57.90 1q23 h LEU 66 Cb 0.26 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 1q23 h LEU 66 CO -0.01 0.37 0.64 0.24 0.09 0.00 0.00 178.44 179.77 1q23 h MET 67 N -0.44 1.07 -0.00 1.13 2.86 -1.08 -2.29 114.93 116.18 1q23 h MET 67 Ca -0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1q23 h MET 67 Cb 0.41 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1q23 h MET 67 CO 0.01 0.71 -0.03 0.09 1.06 0.00 0.00 176.91 178.75 1q23 n ASN 68 N -4.55 0.35 -0.00 1.22 3.02 -0.71 -3.03 115.26 111.56 1q23 n ASN 68 Ca 0.17 -0.86 0.09 0.00 -0.03 0.00 0.00 54.58 53.95 1q23 n ASN 68 Cb 0.26 -0.06 -0.11 0.00 -0.61 0.00 0.00 39.78 39.26 1q23 n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q23 n ALA 69 N -0.84 4.44 -3.79 5.41 0.00 -0.89 -4.89 120.51 119.95 1q23 n ALA 69 Ca 0.20 -0.54 -0.30 0.00 0.00 0.00 0.00 53.44 52.80 1q23 n ALA 69 Cb 0.21 -0.70 -0.15 0.00 0.00 0.00 0.00 19.45 18.81 1q23 n ALA 69 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1q23 s HIS 70 N -2.83 2.10 0.53 0.00 3.76 -1.03 -4.99 115.29 112.82 1q23 s HIS 70 Ca 0.07 -1.96 0.25 0.00 -0.15 0.00 0.00 55.06 53.27 1q23 s HIS 70 Cb 0.14 -1.92 1.39 0.00 1.11 0.00 0.00 32.58 33.30 1q23 s HIS 70 CO 0.79 -0.88 2.00 -1.00 -0.85 0.00 0.00 174.74 174.79 1q23 h PRO 71 N 8.00 0.01 0.00 8.40 0.13 -1.90 -1.95 132.00 144.68 1q23 h PRO 71 Ca -0.12 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1q23 h PRO 71 Cb 1.02 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1q23 h PRO 71 CO 0.48 0.00 0.01 -0.85 -0.23 0.00 0.00 178.00 177.41 1q23 n GLU 72 N -4.38 0.06 0.00 0.86 0.00 -1.26 0.15 120.64 116.07 1q23 n GLU 72 Ca 0.10 0.55 0.12 0.00 0.00 0.00 0.00 57.16 57.93 1q23 n GLU 72 Cb 0.60 -1.71 0.23 0.00 0.00 0.00 0.00 31.44 30.56 1q23 n GLU 72 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1q23 n PHE 73 N -1.82 0.00 -1.72 -1.84 3.01 -0.73 -4.32 117.46 110.04 1q23 n PHE 73 Ca -0.01 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.51 1q23 n PHE 73 Cb 0.03 -0.04 0.18 0.00 -0.01 0.00 0.00 39.48 39.64 1q23 n PHE 73 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1q23 n ARG 74 N 0.07 1.32 -3.39 -1.08 1.74 0.12 -4.58 116.66 110.86 1q23 n ARG 74 Ca 0.13 -3.06 -0.30 0.00 -0.77 0.00 0.00 57.85 53.85 1q23 n ARG 74 Cb 0.43 -1.36 -0.04 0.00 -1.02 0.00 0.00 32.46 30.47 1q23 n ARG 74 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1q23 s MET 75 N -2.71 3.68 0.05 5.56 -1.94 -1.24 -0.20 119.30 122.50 1q23 s MET 75 Ca 0.37 0.07 -0.21 0.00 -1.71 0.00 0.00 55.69 54.21 1q23 s MET 75 Cb 0.37 -2.67 0.05 0.00 2.01 0.00 0.00 34.83 34.59 1q23 s MET 75 CO -0.08 0.27 0.48 0.00 -0.01 0.00 0.00 175.02 175.68 1q23 s ALA 76 N -1.97 -1.21 -0.12 3.03 0.00 -0.29 -4.57 121.76 116.64 1q23 s ALA 76 Ca 0.45 0.46 -0.22 0.00 0.00 0.00 0.00 51.96 52.65 1q23 s ALA 76 Cb -0.11 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 1q23 s ALA 76 CO 0.27 -0.51 0.63 -1.64 0.00 0.00 0.00 175.76 174.52 1q23 s MET 77 N -2.58 4.34 -0.08 0.00 -1.94 -1.26 -1.09 119.30 116.69 1q23 s MET 77 Ca -0.05 0.71 -0.01 0.00 -1.71 0.00 0.00 55.69 54.64 1q23 s MET 77 Cb -0.01 -3.49 0.03 0.00 2.01 0.00 0.00 34.83 33.37 1q23 s MET 77 CO -0.03 -0.02 -0.02 0.21 -0.01 0.00 0.00 175.02 175.15 1q23 s LYS 78 N 1.14 0.81 -1.32 2.03 2.20 0.11 -4.82 119.74 119.88 1q23 s LYS 78 Ca 0.32 0.01 -0.16 0.00 -0.36 0.00 0.00 55.97 55.79 1q23 s LYS 78 Cb -0.16 -1.07 0.02 0.00 -1.51 0.00 0.00 37.83 35.11 1q23 s LYS 78 CO 0.14 -0.27 0.29 -0.25 -0.36 0.00 0.00 175.35 174.91 1q23 n ASP 79 N 4.97 -1.28 0.00 1.43 10.43 -1.26 -0.53 116.55 130.30 1q23 n ASP 79 Ca -0.10 -1.23 0.00 0.00 2.57 0.00 0.00 54.79 56.03 1q23 n ASP 79 Cb 0.50 -1.50 0.00 0.00 1.84 0.00 0.00 41.12 41.96 1q23 n ASP 79 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1q23 n GLY 80 N -2.30 0.29 3.42 0.44 0.00 -1.26 -5.03 105.19 100.75 1q23 n GLY 80 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1q23 n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q23 s GLU 81 N -0.94 1.81 0.06 1.61 0.41 0.31 -5.11 118.70 116.84 1q23 s GLU 81 Ca 0.00 -1.13 -0.31 0.00 -0.41 0.00 0.00 54.97 53.12 1q23 s GLU 81 Cb 0.00 -2.06 -0.07 0.00 -1.78 0.00 0.00 34.13 30.23 1q23 s GLU 81 CO 0.00 0.50 1.38 -1.17 -0.49 0.00 0.00 175.26 175.48 1q23 s LEU 82 N -1.64 4.35 0.04 1.80 2.96 -1.26 0.09 118.68 125.02 1q23 s LEU 82 Ca 0.14 2.20 0.02 0.00 -0.22 0.00 0.00 54.13 56.28 1q23 s LEU 82 Cb -0.10 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 1q23 s LEU 82 CO 0.05 -0.67 -0.08 0.54 -1.32 0.00 0.00 176.35 174.87 1q23 s VAL 83 N 1.72 0.58 -0.14 1.68 0.11 -0.25 -1.08 120.40 123.02 1q23 s VAL 83 Ca 0.64 -1.11 0.01 0.00 -2.93 0.00 0.00 61.98 58.59 1q23 s VAL 83 Cb -0.34 -0.66 -0.01 0.00 -1.53 0.00 0.00 36.38 33.85 1q23 s VAL 83 CO 0.28 -0.38 -0.16 -0.63 -3.33 0.00 0.00 175.10 170.89 1q23 s ILE 84 N -1.40 2.73 0.60 7.04 1.01 -0.03 -1.14 121.20 130.01 1q23 s ILE 84 Ca -0.09 -0.76 -0.17 0.00 0.00 0.00 0.00 60.65 59.63 1q23 s ILE 84 Cb -0.10 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 1q23 s ILE 84 CO 0.00 0.52 1.10 0.26 0.00 0.00 0.00 174.94 176.83 1q23 s TRP 85 N 0.59 2.72 0.20 3.97 0.52 0.71 -1.00 118.94 126.66 1q23 s TRP 85 Ca -0.09 1.54 -0.04 0.00 0.02 0.00 0.00 56.10 57.53 1q23 s TRP 85 Cb -0.16 -3.17 0.15 0.00 -1.15 0.00 0.00 33.47 29.15 1q23 s TRP 85 CO 0.03 -1.50 1.57 -0.44 0.02 0.00 0.00 176.95 176.63 1q23 h ASP 86 N 0.52 0.71 -5.19 2.95 3.45 -1.70 -3.45 116.42 113.71 1q23 h ASP 86 Ca -0.48 -0.31 -0.03 0.00 0.43 0.00 0.00 57.03 56.64 1q23 h ASP 86 Cb 1.24 -0.20 -0.08 0.00 -0.56 0.00 0.00 39.33 39.73 1q23 h ASP 86 CO 0.56 1.01 -0.05 -0.94 -1.57 0.00 0.00 179.24 178.25 1q23 s SER 87 N -6.84 -0.13 0.09 6.45 1.04 -1.26 -5.07 113.70 107.98 1q23 s SER 87 Ca -0.08 -0.84 0.07 0.00 0.48 0.00 0.00 55.95 55.58 1q23 s SER 87 Cb 0.12 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.82 1q23 s SER 87 CO 0.84 -1.17 -0.19 0.68 0.98 0.00 0.00 173.24 174.38 1q23 s VAL 88 N -3.99 1.56 -0.04 5.02 -7.23 -1.26 -4.87 120.40 109.58 1q23 s VAL 88 Ca 0.19 -1.46 0.05 0.00 -1.81 0.00 0.00 61.98 58.96 1q23 s VAL 88 Cb -0.02 -1.43 -0.02 0.00 0.56 0.00 0.00 36.38 35.47 1q23 s VAL 88 CO 0.08 -0.08 -0.18 -1.00 -0.31 0.00 0.00 175.10 173.60 1q23 s HIS 89 N -1.16 2.58 0.26 2.82 3.76 0.15 -4.66 115.29 119.04 1q23 s HIS 89 Ca 0.04 -0.29 -0.30 0.00 -0.15 0.00 0.00 55.06 54.37 1q23 s HIS 89 Cb -0.10 -1.60 -0.10 0.00 1.11 0.00 0.00 32.58 31.90 1q23 s HIS 89 CO 0.04 0.08 1.37 -1.25 -0.85 0.00 0.00 174.74 174.13 1q23 s PRO 90 N -0.63 4.32 -0.28 8.40 0.04 -1.25 -0.73 135.00 144.88 1q23 s PRO 90 Ca 0.09 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.37 1q23 s PRO 90 Cb -0.11 -3.12 0.06 0.00 0.04 0.00 0.00 34.50 31.37 1q23 s PRO 90 CO 0.00 -0.31 -0.07 0.00 0.04 0.00 0.00 177.00 176.66 1q23 s TYR 92 N 1.13 2.45 0.25 0.00 -0.85 0.18 -1.71 117.35 118.79 1q23 s TYR 92 Ca -0.07 -0.45 -0.21 0.00 -0.52 0.00 0.00 57.07 55.82 1q23 s TYR 92 Cb -0.20 -1.37 -0.09 0.00 0.38 0.00 0.00 41.96 40.69 1q23 s TYR 92 CO -0.04 0.57 0.78 0.95 -1.52 0.00 0.00 175.55 176.28 1q23 s THR 93 N -2.56 4.49 -0.06 -3.49 -4.23 -1.13 -1.03 115.64 107.62 1q23 s THR 93 Ca 0.33 1.40 0.04 0.00 -1.18 0.00 0.00 61.69 62.28 1q23 s THR 93 Cb 0.01 -3.88 -0.00 0.00 1.34 0.00 0.00 72.50 69.96 1q23 s THR 93 CO 0.17 0.17 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.54 1q23 s VAL 94 N -1.57 1.66 -0.14 2.29 1.01 -0.20 -4.81 120.40 118.64 1q23 s VAL 94 Ca 0.45 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1q23 s VAL 94 Cb -0.17 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1q23 s VAL 94 CO 0.21 0.47 0.16 0.12 0.00 0.00 0.00 175.10 176.06 1q23 s PHE 95 N 0.18 3.53 -0.35 5.22 5.36 -1.26 -1.18 117.98 129.48 1q23 s PHE 95 Ca -0.09 0.49 -0.04 0.00 -0.96 0.00 0.00 56.93 56.32 1q23 s PHE 95 Cb -0.14 -2.06 0.06 0.00 -0.34 0.00 0.00 43.02 40.54 1q23 s PHE 95 CO 0.04 0.54 0.10 -1.01 -1.46 0.00 0.00 175.22 173.44 1q23 s HIS 96 N -0.45 3.35 0.17 10.12 3.76 0.14 -4.98 115.29 127.41 1q23 s HIS 96 Ca 0.13 -1.86 -0.14 0.00 -0.15 0.00 0.00 55.06 53.04 1q23 s HIS 96 Cb -0.12 -2.52 0.08 0.00 1.11 0.00 0.00 32.58 31.13 1q23 s HIS 96 CO 0.02 -0.83 1.82 1.49 -0.85 0.00 0.00 174.74 176.40 1q23 h GLU 97 N 8.11 0.63 0.00 1.40 4.57 -1.96 1.49 114.58 128.81 1q23 h GLU 97 Ca -0.20 -0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 57.83 1q23 h GLU 97 Cb 1.07 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.50 1q23 h GLU 97 CO 0.61 0.42 -0.56 0.37 -1.18 0.00 0.00 179.01 178.68 1q23 h GLN 98 N 0.65 0.00 0.00 1.92 4.15 -1.95 -2.99 115.11 116.90 1q23 h GLN 98 Ca 0.20 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.62 1q23 h GLN 98 Cb -0.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.66 1q23 h GLN 98 CO -0.07 0.56 -1.27 0.25 -1.93 0.00 0.00 178.83 176.37 1q23 n THR 99 N -3.59 0.00 -3.66 2.39 -2.24 -1.14 -5.00 114.28 101.04 1q23 n THR 99 Ca -0.00 -0.21 -0.25 0.00 -2.27 0.00 0.00 64.05 61.32 1q23 n THR 99 Cb 0.62 0.62 0.07 0.00 -2.10 0.00 0.00 70.33 69.55 1q23 n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1q23 n GLU 100 N -1.73 -7.19 -4.65 -0.78 1.02 0.51 -5.00 120.64 102.83 1q23 n GLU 100 Ca 0.01 0.77 -0.30 0.00 -0.02 0.00 0.00 57.16 57.62 1q23 n GLU 100 Cb 0.37 -5.77 -0.08 0.00 -0.02 0.00 0.00 31.44 25.94 1q23 n GLU 100 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1q23 s THR 101 N -3.33 0.93 0.20 2.62 -4.23 -1.02 -4.97 115.64 105.84 1q23 s THR 101 Ca 0.52 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.07 1q23 s THR 101 Cb -0.24 -2.27 -0.05 0.00 1.34 0.00 0.00 72.50 71.28 1q23 s THR 101 CO 0.76 0.00 -0.02 0.72 -0.54 0.00 0.00 174.62 175.53 1q23 s PHE 102 N -3.02 1.42 0.16 3.99 -0.12 -1.26 0.24 117.98 119.38 1q23 s PHE 102 Ca 0.15 -0.91 0.06 0.00 -0.05 0.00 0.00 56.93 56.18 1q23 s PHE 102 Cb 0.02 -0.80 -0.04 0.00 -0.63 0.00 0.00 43.02 41.57 1q23 s PHE 102 CO 0.09 -0.05 -0.13 -1.12 -0.05 0.00 0.00 175.22 173.95 1q23 s SER 103 N -3.25 2.16 -0.26 1.98 0.01 -0.32 -4.69 113.70 109.33 1q23 s SER 103 Ca 0.25 -0.93 -0.02 0.00 1.31 0.00 0.00 55.95 56.57 1q23 s SER 103 Cb 0.05 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.23 1q23 s SER 103 CO 0.06 -0.19 -0.05 -0.44 0.41 0.00 0.00 173.24 173.03 1q23 s SER 104 N -2.90 4.44 -0.02 2.44 0.01 0.29 -1.03 113.70 116.92 1q23 s SER 104 Ca 0.15 -0.93 0.06 0.00 1.31 0.00 0.00 55.95 56.54 1q23 s SER 104 Cb -0.02 -1.68 -0.03 0.00 0.21 0.00 0.00 66.02 64.51 1q23 s SER 104 CO 0.04 -0.15 -0.19 -0.22 0.41 0.00 0.00 173.24 173.13 1q23 s LEU 105 N 1.32 2.50 0.21 2.44 2.96 -0.20 -4.22 118.68 123.70 1q23 s LEU 105 Ca -0.01 -0.32 0.09 0.00 -0.22 0.00 0.00 54.13 53.67 1q23 s LEU 105 Cb -0.17 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 1q23 s LEU 105 CO -0.04 0.32 -0.04 -1.66 -1.32 0.00 0.00 176.35 173.61 1q23 s TRP 106 N -0.73 2.70 -0.00 5.38 1.48 -1.26 0.51 118.94 127.02 1q23 s TRP 106 Ca 0.12 -0.20 -0.01 0.00 -1.06 0.00 0.00 56.10 54.94 1q23 s TRP 106 Cb -0.10 -1.27 -0.00 0.00 -1.16 0.00 0.00 33.47 30.94 1q23 s TRP 106 CO 0.01 0.56 0.01 -1.12 -4.06 0.00 0.00 176.95 172.35 1q23 s SER 107 N -3.19 0.04 0.12 -2.66 0.01 -0.56 -4.99 113.70 102.48 1q23 s SER 107 Ca 0.28 -0.09 -0.31 0.00 1.31 0.00 0.00 55.95 57.14 1q23 s SER 107 Cb -0.08 0.06 -0.08 0.00 0.21 0.00 0.00 66.02 66.13 1q23 s SER 107 CO 0.18 -0.09 1.37 -0.70 0.41 0.00 0.00 173.24 174.41 1q23 s GLU 108 N -0.38 4.34 0.31 12.44 2.12 -1.26 -3.88 118.70 132.39 1q23 s GLU 108 Ca -0.04 2.06 -0.29 0.00 0.36 0.00 0.00 54.97 57.05 1q23 s GLU 108 Cb -0.03 -3.24 -0.10 0.00 0.26 0.00 0.00 34.13 31.02 1q23 s GLU 108 CO -0.00 -0.40 1.33 -0.47 -0.54 0.00 0.00 175.26 175.18 1q23 s TYR 109 N 0.95 3.05 0.01 5.30 5.04 -1.26 -4.87 117.35 125.56 1q23 s TYR 109 Ca 0.63 1.35 0.02 0.00 -2.44 0.00 0.00 57.07 56.63 1q23 s TYR 109 Cb -0.36 -3.70 -0.01 0.00 0.35 0.00 0.00 41.96 38.23 1q23 s TYR 109 CO 0.31 -1.99 -0.07 -1.58 -1.34 0.00 0.00 175.55 170.88 1q23 s HIS 110 N -0.91 0.63 0.45 4.97 5.65 -1.26 -5.03 115.29 119.79 1q23 s HIS 110 Ca 0.51 -0.22 0.25 0.00 0.25 0.00 0.00 55.06 55.85 1q23 s HIS 110 Cb -0.40 -0.39 1.27 0.00 -1.18 0.00 0.00 32.58 31.87 1q23 s HIS 110 CO 0.51 -0.02 1.78 0.22 -0.65 0.00 0.00 174.74 176.57 1q23 h ASP 111 N 5.56 0.29 -3.41 9.88 3.58 -1.99 -3.41 116.42 126.91 1q23 h ASP 111 Ca -0.31 0.06 -0.66 0.00 0.42 0.00 0.00 57.03 56.54 1q23 h ASP 111 Cb 1.19 0.01 -0.27 0.00 1.72 0.00 0.00 39.33 41.99 1q23 h ASP 111 CO 0.47 0.04 -0.71 -0.62 -2.88 0.00 0.00 179.24 175.54 1q23 s ASP 112 N -5.20 4.40 0.33 2.28 -1.08 -1.26 -4.98 116.67 111.15 1q23 s ASP 112 Ca -0.07 -0.35 0.02 0.00 -0.52 0.00 0.00 52.55 51.62 1q23 s ASP 112 Cb 0.25 -1.75 0.60 0.00 -1.46 0.00 0.00 42.92 40.55 1q23 s ASP 112 CO 0.80 -0.00 1.95 0.15 0.52 0.00 0.00 175.17 178.59 1q23 h PHE 113 N 7.96 0.93 -0.54 -5.34 3.57 -1.90 0.89 116.94 122.51 1q23 h PHE 113 Ca -0.40 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.12 1q23 h PHE 113 Cb 1.17 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 1q23 h PHE 113 CO 0.59 0.51 0.33 -0.09 -2.23 0.00 0.00 178.31 177.41 1q23 h ARG 114 N 0.93 0.73 -0.40 1.11 2.43 -1.94 0.12 114.38 117.36 1q23 h ARG 114 Ca 0.34 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1q23 h ARG 114 Cb 0.14 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1q23 h ARG 114 CO -0.11 0.52 0.09 1.96 -1.51 0.00 0.00 179.97 180.92 1q23 h GLN 115 N 0.72 0.64 -0.96 0.20 1.08 -1.67 -2.93 115.11 112.20 1q23 h GLN 115 Ca 0.19 -0.16 0.11 0.00 -1.45 0.00 0.00 58.65 57.34 1q23 h GLN 115 Cb -0.02 -0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 27.25 1q23 h GLN 115 CO -0.04 0.67 0.59 0.35 -0.95 0.00 0.00 178.83 179.46 1q23 h PHE 116 N 0.51 1.07 -0.37 2.96 3.57 -0.63 -2.80 116.94 121.25 1q23 h PHE 116 Ca 0.12 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 1q23 h PHE 116 Cb 0.32 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1q23 h PHE 116 CO 0.02 0.44 -0.07 1.25 -2.23 0.00 0.00 178.31 177.72 1q23 h LEU 117 N 0.96 0.60 -0.41 0.59 6.46 -0.72 0.10 115.31 122.89 1q23 h LEU 117 Ca 0.47 -0.15 -0.17 0.00 -0.12 0.00 0.00 57.88 57.91 1q23 h LEU 117 Cb 0.43 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1q23 h LEU 117 CO -0.25 0.71 -0.47 -0.74 -0.62 0.00 0.00 178.44 177.07 1q23 h HIS 118 N 0.58 1.01 0.13 1.25 2.76 -1.31 0.28 115.15 119.86 1q23 h HIS 118 Ca 0.11 -0.33 -0.01 0.00 -2.20 0.00 0.00 60.37 57.94 1q23 h HIS 118 Cb 0.47 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.23 1q23 h HIS 118 CO 0.02 1.13 -0.06 0.82 -1.30 0.00 0.00 177.93 178.54 1q23 h ILE 119 N 0.65 1.00 -1.00 6.26 2.04 -1.22 -2.46 117.51 122.77 1q23 h ILE 119 Ca 0.03 -1.14 0.15 0.00 1.00 0.00 0.00 64.86 64.90 1q23 h ILE 119 Cb 1.05 1.64 -0.16 0.00 -0.74 0.00 0.00 36.82 38.62 1q23 h ILE 119 CO 0.10 0.25 -0.39 0.00 0.00 0.00 0.00 178.15 178.11 1q23 n TYR 120 N -4.91 0.02 -0.03 1.37 9.36 0.30 -0.24 117.16 123.03 1q23 n TYR 120 Ca -0.08 1.23 -0.05 0.00 3.32 0.00 0.00 57.90 62.32 1q23 n TYR 120 Cb 0.27 -0.87 0.17 0.00 -0.63 0.00 0.00 39.34 38.28 1q23 n TYR 120 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 1q23 h SER 121 N 0.00 0.61 0.05 2.98 0.02 -0.78 -0.90 113.55 115.53 1q23 h SER 121 Ca 0.34 -0.20 -0.17 0.00 -0.84 0.00 0.00 61.79 60.93 1q23 h SER 121 Cb 0.59 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1q23 h SER 121 CO -0.99 0.81 -0.58 1.56 -1.14 0.00 0.00 176.83 176.49 1q23 h GLN 122 N 0.55 0.55 -0.28 3.45 1.08 -0.97 -0.97 115.11 118.52 1q23 h GLN 122 Ca 0.09 -0.36 0.03 0.00 -1.45 0.00 0.00 58.65 56.95 1q23 h GLN 122 Cb 0.64 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.09 1q23 h GLN 122 CO 0.05 0.98 0.09 -0.44 -0.95 0.00 0.00 178.83 178.55 1q23 h ASP 123 N 0.41 0.09 0.03 1.46 3.32 0.01 0.44 116.42 122.18 1q23 h ASP 123 Ca 0.00 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 1q23 h ASP 123 Cb 1.14 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 1q23 h ASP 123 CO 0.11 0.08 -0.39 0.58 -1.72 0.00 0.00 179.24 177.90 1q23 h VAL 124 N 0.21 1.30 -0.15 -1.35 2.07 -1.08 -1.55 116.25 115.70 1q23 h VAL 124 Ca 0.12 -1.53 -0.11 0.00 0.82 0.00 0.00 66.70 66.00 1q23 h VAL 124 Cb 0.10 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1q23 h VAL 124 CO -0.13 0.48 -0.34 0.00 0.02 0.00 0.00 177.57 177.59 1q23 h ALA 125 N 1.19 0.25 -0.23 1.67 0.00 -1.00 0.10 119.26 121.23 1q23 h ALA 125 Ca 0.04 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1q23 h ALA 125 Cb 0.86 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1q23 h ALA 125 CO 0.07 0.30 -0.03 0.00 0.00 0.00 0.00 179.25 179.59 1q23 n TYR 127 N -4.61 0.00 0.70 0.00 4.01 -0.59 -4.71 117.16 111.96 1q23 n TYR 127 Ca -0.04 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.78 1q23 n TYR 127 Cb 0.27 -0.07 0.40 0.00 -0.31 0.00 0.00 39.34 39.63 1q23 n TYR 127 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1q23 n GLY 128 N 1.43 -0.95 0.94 2.72 0.00 0.35 -1.08 105.19 108.60 1q23 n GLY 128 Ca 0.02 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.07 1q23 n GLY 128 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q23 n GLU 129 N -1.38 2.26 -2.96 1.61 -0.58 -1.26 -4.92 120.64 113.40 1q23 n GLU 129 Ca 0.06 -2.07 -0.41 0.00 -0.42 0.00 0.00 57.16 54.32 1q23 n GLU 129 Cb 0.16 -1.41 -0.05 0.00 -0.57 0.00 0.00 31.44 29.57 1q23 n GLU 129 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1q23 s ASN 130 N -1.26 6.72 -0.18 1.62 3.84 -0.24 -4.94 114.94 120.51 1q23 s ASN 130 Ca 0.32 0.85 0.09 0.00 0.21 0.00 0.00 52.86 54.33 1q23 s ASN 130 Cb 0.18 -2.40 0.57 0.00 -0.55 0.00 0.00 41.25 39.06 1q23 s ASN 130 CO 0.25 -0.50 1.41 0.18 -2.79 0.00 0.00 177.10 175.65 1q23 n LEU 131 N 5.98 4.48 -4.79 3.21 4.77 -1.26 -4.88 117.00 124.50 1q23 n LEU 131 Ca 0.03 -2.28 -0.32 0.00 -0.03 0.00 0.00 56.01 53.41 1q23 n LEU 131 Cb 0.48 -0.64 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1q23 n LEU 131 CO 0.47 0.55 0.72 0.00 -1.33 0.00 0.00 177.39 177.80 1q23 s ALA 132 N -2.26 2.60 0.18 -1.18 0.00 -1.26 -4.94 121.76 114.90 1q23 s ALA 132 Ca 0.39 0.36 -0.13 0.00 0.00 0.00 0.00 51.96 52.58 1q23 s ALA 132 Cb 0.30 -3.25 0.14 0.00 0.00 0.00 0.00 23.12 20.31 1q23 s ALA 132 CO 0.11 -1.12 1.76 -0.92 0.00 0.00 0.00 175.76 175.60 1q23 h TYR 133 N -0.06 0.37 -2.55 0.00 3.20 -1.91 -3.35 116.97 112.66 1q23 h TYR 133 Ca -0.46 0.02 -0.60 0.00 3.14 0.00 0.00 58.73 60.83 1q23 h TYR 133 Cb 1.23 -0.09 -0.40 0.00 1.54 0.00 0.00 36.73 39.00 1q23 h TYR 133 CO 0.58 0.15 -0.79 1.19 -1.64 0.00 0.00 178.16 177.65 1q23 n PHE 134 N -4.96 1.33 0.12 -3.82 3.01 -1.26 -0.55 117.46 111.33 1q23 n PHE 134 Ca 0.04 -3.83 0.16 0.00 1.01 0.00 0.00 57.45 54.83 1q23 n PHE 134 Cb 0.16 -0.26 0.69 0.00 -0.01 0.00 0.00 39.48 40.07 1q23 n PHE 134 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1q23 h PRO 135 N 5.11 0.00 -0.41 -1.08 0.11 -1.73 0.83 132.00 134.82 1q23 h PRO 135 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1q23 h PRO 135 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1q23 h PRO 135 CO 0.58 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.00 1q23 n LYS 136 N -4.34 2.50 -0.21 1.05 5.02 -1.26 -5.05 118.16 115.87 1q23 n LYS 136 Ca 0.04 -2.14 0.03 0.00 -2.02 0.00 0.00 58.31 54.22 1q23 n LYS 136 Cb 0.40 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 34.02 1q23 n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q23 n GLY 137 N 0.99 -2.10 3.55 0.72 0.00 0.29 -4.93 105.19 103.70 1q23 n GLY 137 Ca 0.16 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 1q23 n GLY 137 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1q23 s PHE 138 N -0.88 2.68 0.42 1.61 -0.12 -1.26 -4.83 117.98 115.60 1q23 s PHE 138 Ca 0.00 -0.19 0.07 0.00 -0.05 0.00 0.00 56.93 56.76 1q23 s PHE 138 Cb 0.00 -1.42 -0.06 0.00 -0.63 0.00 0.00 43.02 40.91 1q23 s PHE 138 CO 0.00 0.40 0.12 0.96 -0.05 0.00 0.00 175.22 176.65 1q23 s ILE 139 N -1.17 2.14 -0.21 -4.49 -4.36 -1.26 -5.04 121.20 106.81 1q23 s ILE 139 Ca 0.20 -1.81 0.17 0.00 -0.26 0.00 0.00 60.65 58.95 1q23 s ILE 139 Cb -0.11 -2.95 0.10 0.00 1.25 0.00 0.00 42.46 40.74 1q23 s ILE 139 CO 0.12 0.00 1.41 -0.33 0.24 0.00 0.00 174.94 176.38 1q23 h GLU 140 N 1.53 0.00 -2.35 0.37 5.08 -2.01 -3.37 114.58 113.82 1q23 h GLU 140 Ca -0.43 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.26 1q23 h GLU 140 Cb 1.25 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.13 1q23 h GLU 140 CO 0.74 0.37 -0.06 0.27 -1.00 0.00 0.00 179.01 179.34 1q23 n ASN 141 N -3.15 5.19 -4.58 1.42 6.94 -1.26 -5.03 115.26 114.79 1q23 n ASN 141 Ca 0.01 -3.58 -0.27 0.00 -0.02 0.00 0.00 54.58 50.72 1q23 n ASN 141 Cb 0.70 -0.83 -0.09 0.00 -2.36 0.00 0.00 39.78 37.20 1q23 n ASN 141 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1q23 s MET 142 N -3.27 2.11 0.34 -3.83 -1.94 -1.26 0.30 119.30 111.75 1q23 s MET 142 Ca 0.42 -1.23 0.07 0.00 -1.71 0.00 0.00 55.69 53.24 1q23 s MET 142 Cb 0.19 -2.20 -0.07 0.00 2.01 0.00 0.00 34.83 34.77 1q23 s MET 142 CO -0.06 0.44 -0.04 -0.59 -0.01 0.00 0.00 175.02 174.76 1q23 s PHE 143 N -1.68 2.24 -0.05 -0.03 -0.12 0.09 -4.77 117.98 113.66 1q23 s PHE 143 Ca 0.25 -0.66 0.04 0.00 -0.05 0.00 0.00 56.93 56.50 1q23 s PHE 143 Cb -0.09 -1.39 -0.02 0.00 -0.63 0.00 0.00 43.02 40.88 1q23 s PHE 143 CO 0.16 0.38 -0.15 -0.06 -0.05 0.00 0.00 175.22 175.49 1q23 s PHE 144 N -2.85 2.67 -0.04 3.49 0.40 -1.10 -0.24 117.98 120.32 1q23 s PHE 144 Ca 0.33 -0.21 0.03 0.00 -0.60 0.00 0.00 56.93 56.48 1q23 s PHE 144 Cb 0.06 -1.63 0.00 0.00 0.51 0.00 0.00 43.02 41.96 1q23 s PHE 144 CO 0.15 0.15 -0.12 0.08 0.70 0.00 0.00 175.22 176.18 1q23 s VAL 145 N -0.67 1.06 0.10 -0.44 1.01 -0.70 -0.37 120.40 120.39 1q23 s VAL 145 Ca 0.10 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.66 1q23 s VAL 145 Cb -0.11 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1q23 s VAL 145 CO 0.01 0.32 -0.21 -0.94 0.00 0.00 0.00 175.10 174.27 1q23 s SER 146 N 0.19 2.60 -0.27 3.32 1.04 -0.19 -2.86 113.70 117.53 1q23 s SER 146 Ca -0.04 -0.68 -0.13 0.00 0.48 0.00 0.00 55.95 55.57 1q23 s SER 146 Cb -0.10 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.82 1q23 s SER 146 CO 0.01 0.07 0.28 0.00 0.98 0.00 0.00 173.24 174.59 1q23 s ALA 147 N -1.14 3.55 -0.80 5.32 0.00 -1.26 -0.09 121.76 127.35 1q23 s ALA 147 Ca 0.07 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.11 1q23 s ALA 147 Cb -0.10 -2.59 0.20 0.00 0.00 0.00 0.00 23.12 20.64 1q23 s ALA 147 CO 0.04 -0.58 0.68 -1.71 0.00 0.00 0.00 175.76 174.20 1q23 n ASN 148 N 5.14 3.74 0.00 0.00 4.05 0.11 -4.93 115.26 123.36 1q23 n ASN 148 Ca -0.11 -3.21 0.12 0.00 0.45 0.00 0.00 54.58 51.82 1q23 n ASN 148 Cb 0.51 -0.89 0.71 0.00 1.23 0.00 0.00 39.78 41.34 1q23 n ASN 148 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1q23 n PRO 149 N 1.95 0.77 0.09 1.20 -0.04 -1.26 -2.96 135.00 134.75 1q23 n PRO 149 Ca 0.22 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.80 1q23 n PRO 149 Cb 0.36 -1.49 0.15 0.00 -0.04 0.00 0.00 33.50 32.49 1q23 n PRO 149 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1q23 h TRP 150 N 0.00 0.00 -3.23 0.54 6.55 -1.94 -3.41 115.95 114.46 1q23 h TRP 150 Ca 0.00 0.00 -0.29 0.00 0.95 0.00 0.00 58.89 59.55 1q23 h TRP 150 Cb 0.00 0.00 -0.35 0.00 -0.86 0.00 0.00 29.16 27.95 1q23 h TRP 150 CO 0.00 0.00 -0.65 0.08 -1.05 0.00 0.00 178.44 176.82 1q23 s VAL 151 N -3.22 -0.14 -1.26 1.49 1.01 -1.24 -4.90 120.40 112.14 1q23 s VAL 151 Ca 0.05 0.29 -0.13 0.00 0.00 0.00 0.00 61.98 62.19 1q23 s VAL 151 Cb 0.11 -0.23 0.15 0.00 0.00 0.00 0.00 36.38 36.41 1q23 s VAL 151 CO 0.72 0.12 1.67 -1.20 0.00 0.00 0.00 175.10 176.42 1q23 n SER 152 N 4.80 5.04 -4.80 3.32 7.64 -1.26 -1.88 113.62 126.49 1q23 n SER 152 Ca -0.15 -3.00 -0.35 0.00 1.01 0.00 0.00 58.87 56.38 1q23 n SER 152 Cb 0.50 -1.57 -0.07 0.00 -1.01 0.00 0.00 64.21 62.06 1q23 n SER 152 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1q23 s PHE 153 N 1.69 3.50 -0.72 1.43 -0.12 -1.26 -4.93 117.98 117.57 1q23 s PHE 153 Ca 0.44 1.70 0.23 0.00 -0.05 0.00 0.00 56.93 59.25 1q23 s PHE 153 Cb 0.03 -2.89 0.16 0.00 -0.63 0.00 0.00 43.02 39.69 1q23 s PHE 153 CO 0.01 0.04 1.13 -2.37 -0.05 0.00 0.00 175.22 173.98 1q23 n THR 154 N -0.02 0.15 -3.78 -4.49 5.66 -1.26 -4.70 114.28 105.84 1q23 n THR 154 Ca 0.04 -0.18 -0.13 0.00 -3.05 0.00 0.00 64.05 60.73 1q23 n THR 154 Cb 0.52 0.23 -0.13 0.00 -1.55 0.00 0.00 70.33 69.40 1q23 n THR 154 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1q23 s SER 155 N -3.72 -0.17 -0.05 1.09 0.15 -1.26 -4.84 113.70 104.90 1q23 s SER 155 Ca 0.06 0.36 -0.01 0.00 0.70 0.00 0.00 55.95 57.05 1q23 s SER 155 Cb 0.15 0.30 0.03 0.00 -1.71 0.00 0.00 66.02 64.79 1q23 s SER 155 CO 0.78 -0.11 0.02 0.12 1.20 0.00 0.00 173.24 175.25 1q23 s PHE 156 N 0.64 0.40 -0.07 3.44 5.36 -1.26 -5.11 117.98 121.38 1q23 s PHE 156 Ca -0.05 -0.00 0.03 0.00 -0.96 0.00 0.00 56.93 55.95 1q23 s PHE 156 Cb -0.06 -0.59 0.01 0.00 -0.34 0.00 0.00 43.02 42.03 1q23 s PHE 156 CO -0.03 -0.23 -0.15 0.34 -1.46 0.00 0.00 175.22 173.69 1q23 s ASP 157 N 1.72 2.10 -0.22 6.13 -1.08 -1.26 -4.73 116.67 119.34 1q23 s ASP 157 Ca 0.00 -0.36 -0.11 0.00 -0.52 0.00 0.00 52.55 51.56 1q23 s ASP 157 Cb -0.13 -0.97 -0.05 0.00 -1.46 0.00 0.00 42.92 40.32 1q23 s ASP 157 CO -0.03 0.06 0.19 -0.22 0.52 0.00 0.00 175.17 175.69 1q23 s LEU 158 N 0.61 4.16 -0.67 -1.34 2.96 -1.26 -5.06 118.68 118.07 1q23 s LEU 158 Ca -0.15 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 1q23 s LEU 158 Cb -0.16 -2.17 0.17 0.00 0.50 0.00 0.00 46.19 44.53 1q23 s LEU 158 CO 0.05 0.09 0.47 0.21 -1.32 0.00 0.00 176.35 175.84 1q23 s ASN 159 N 0.81 4.96 0.32 3.68 2.47 -1.26 -4.95 114.94 120.97 1q23 s ASN 159 Ca 0.10 -3.43 -0.28 0.00 0.42 0.00 0.00 52.86 49.67 1q23 s ASN 159 Cb -0.13 -1.72 -0.09 0.00 -1.45 0.00 0.00 41.25 37.85 1q23 s ASN 159 CO 0.03 -0.19 1.12 0.68 -3.72 0.00 0.00 177.10 175.02 1q23 s VAL 160 N -0.88 3.38 0.38 -5.21 -7.23 -1.26 -4.95 120.40 104.63 1q23 s VAL 160 Ca 0.22 1.30 0.13 0.00 -1.81 0.00 0.00 61.98 61.82 1q23 s VAL 160 Cb -0.14 -3.79 0.10 0.00 0.56 0.00 0.00 36.38 33.11 1q23 s VAL 160 CO -0.09 0.24 1.84 0.00 -0.31 0.00 0.00 175.10 176.78 1q23 h ALA 161 N 3.37 1.41 -3.16 1.32 0.00 -2.07 -3.39 119.26 116.75 1q23 h ALA 161 Ca -0.48 -0.33 -0.57 0.00 0.00 0.00 0.00 54.91 53.54 1q23 h ALA 161 Cb 1.22 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.55 1q23 h ALA 161 CO 0.65 0.45 -0.76 1.21 0.00 0.00 0.00 179.25 180.80 1q23 s ASN 162 N -6.94 3.78 0.00 0.00 3.84 -1.26 -4.98 114.94 109.38 1q23 s ASN 162 Ca -0.03 -1.44 0.26 0.00 0.21 0.00 0.00 52.86 51.86 1q23 s ASN 162 Cb 0.14 -0.78 1.10 0.00 -0.55 0.00 0.00 41.25 41.17 1q23 s ASN 162 CO 0.72 -0.39 1.76 1.15 -2.79 0.00 0.00 177.10 177.55 1q23 n MET 163 N 4.92 1.55 -1.66 0.43 0.00 -1.26 -4.87 117.12 116.23 1q23 n MET 163 Ca -0.04 -0.80 -0.62 0.00 0.00 0.00 0.00 57.70 56.23 1q23 n MET 163 Cb 0.43 -1.45 -0.09 0.00 0.00 0.00 0.00 33.22 32.11 1q23 n MET 163 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1q23 n ASP 164 N -0.01 1.09 -1.08 3.17 8.00 -1.26 -1.35 116.55 125.10 1q23 n ASP 164 Ca 0.19 1.16 -0.08 0.00 0.71 0.00 0.00 54.79 56.76 1q23 n ASP 164 Cb 0.30 -0.96 -0.04 0.00 -0.02 0.00 0.00 41.12 40.40 1q23 n ASP 164 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1q23 n ASN 165 N 3.35 -2.61 -4.51 -2.24 3.02 -1.26 -4.84 115.26 106.16 1q23 n ASN 165 Ca 0.26 0.20 -0.43 0.00 -0.03 0.00 0.00 54.58 54.58 1q23 n ASN 165 Cb 0.03 -2.44 -0.01 0.00 -0.61 0.00 0.00 39.78 36.76 1q23 n ASN 165 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1q23 s PHE 166 N -1.61 3.08 -1.86 3.10 5.36 -0.46 -4.66 117.98 120.92 1q23 s PHE 166 Ca 0.00 -1.68 0.22 0.00 -0.96 0.00 0.00 56.93 54.51 1q23 s PHE 166 Cb 0.00 -4.51 -0.04 0.00 -0.34 0.00 0.00 43.02 38.13 1q23 s PHE 166 CO 0.00 -1.62 1.06 1.19 -1.46 0.00 0.00 175.22 174.39 1q23 n PHE 167 N 7.13 0.00 -2.62 10.12 3.72 -1.26 -4.40 117.46 130.15 1q23 n PHE 167 Ca 0.38 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.36 1q23 n PHE 167 Cb 0.46 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.97 1q23 n PHE 167 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1q23 s ALA 168 N -2.57 3.50 0.63 4.37 0.00 -1.26 -4.70 121.76 121.73 1q23 s ALA 168 Ca 0.17 0.39 -0.18 0.00 0.00 0.00 0.00 51.96 52.34 1q23 s ALA 168 Cb 0.18 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1q23 s ALA 168 CO 0.62 -0.77 1.21 -2.30 0.00 0.00 0.00 175.76 174.53 1q23 n PRO 169 N 5.43 1.09 -3.99 0.00 -0.02 -1.26 -4.88 135.00 131.38 1q23 n PRO 169 Ca 0.10 0.43 -0.30 0.00 -2.02 0.00 0.00 63.50 61.71 1q23 n PRO 169 Cb 0.47 -2.44 -0.16 0.00 -0.02 0.00 0.00 33.50 31.35 1q23 n PRO 169 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1q23 s VAL 170 N -1.41 1.60 -0.16 -1.45 1.01 -0.76 -2.70 120.40 116.53 1q23 s VAL 170 Ca 0.80 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 1q23 s VAL 170 Cb -0.39 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1q23 s VAL 170 CO 0.42 0.16 0.13 -0.36 0.00 0.00 0.00 175.10 175.45 1q23 s PHE 171 N 1.41 3.50 -0.10 5.22 0.40 0.50 -0.40 117.98 128.51 1q23 s PHE 171 Ca -0.01 0.43 0.04 0.00 -0.60 0.00 0.00 56.93 56.78 1q23 s PHE 171 Cb -0.16 -2.05 0.00 0.00 0.51 0.00 0.00 43.02 41.32 1q23 s PHE 171 CO -0.08 0.51 -0.22 0.99 0.70 0.00 0.00 175.22 177.12 1q23 s THR 172 N -0.34 1.94 -0.14 0.64 2.01 0.67 -1.02 115.64 119.39 1q23 s THR 172 Ca 0.11 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 61.11 1q23 s THR 172 Cb -0.12 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 1q23 s THR 172 CO 0.01 0.53 0.09 -0.04 -0.69 0.00 0.00 174.62 174.52 1q23 s MET 173 N 0.43 3.62 0.55 4.92 -1.94 0.87 -1.14 119.30 126.62 1q23 s MET 173 Ca -0.17 -0.26 0.04 0.00 -1.71 0.00 0.00 55.69 53.58 1q23 s MET 173 Cb -0.17 -3.15 0.03 0.00 2.01 0.00 0.00 34.83 33.55 1q23 s MET 173 CO 0.07 0.54 0.29 0.20 -0.01 0.00 0.00 175.02 176.11 1q23 s GLY 174 N -0.37 2.60 -0.20 -0.03 0.00 -0.73 0.04 107.32 108.64 1q23 s GLY 174 Ca 0.10 -0.85 -0.29 0.00 0.00 0.00 0.00 44.72 43.68 1q23 s GLY 174 CO 0.02 -2.04 1.47 1.25 0.00 0.00 0.00 173.10 173.80 1q23 s LYS 175 N -4.19 3.99 0.71 2.90 2.20 -0.79 -4.15 119.74 120.42 1q23 s LYS 175 Ca 0.23 1.66 -0.14 0.00 -0.36 0.00 0.00 55.97 57.36 1q23 s LYS 175 Cb -0.02 -3.93 0.03 0.00 -1.51 0.00 0.00 37.83 32.41 1q23 s LYS 175 CO 0.15 -1.04 1.16 1.52 -0.36 0.00 0.00 175.35 176.77 1q23 s TYR 176 N 4.41 2.29 0.14 4.03 -0.85 -1.26 -4.25 117.35 121.86 1q23 s TYR 176 Ca 0.64 1.59 -0.10 0.00 -0.52 0.00 0.00 57.07 58.68 1q23 s TYR 176 Cb -0.24 -3.31 -0.00 0.00 0.38 0.00 0.00 41.96 38.79 1q23 s TYR 176 CO 0.24 -2.19 0.29 1.52 -1.52 0.00 0.00 175.55 173.89 1q23 s TYR 177 N -2.22 0.24 0.11 -3.49 -0.85 0.24 -4.95 117.35 106.43 1q23 s TYR 177 Ca 0.70 -0.62 -0.24 0.00 -0.52 0.00 0.00 57.07 56.39 1q23 s TYR 177 Cb -0.24 0.00 -0.07 0.00 0.38 0.00 0.00 41.96 42.03 1q23 s TYR 177 CO 0.45 -0.69 0.73 0.99 -1.52 0.00 0.00 175.55 175.52 1q23 s THR 178 N -3.92 4.56 -0.24 -3.49 2.01 -1.26 0.04 115.64 113.34 1q23 s THR 178 Ca 0.12 1.59 -0.03 0.00 0.31 0.00 0.00 61.69 63.68 1q23 s THR 178 Cb 0.03 -4.09 0.12 0.00 0.01 0.00 0.00 72.50 68.57 1q23 s THR 178 CO -0.04 0.47 0.29 -1.58 -0.69 0.00 0.00 174.62 173.07 1q23 s GLN 179 N -0.76 0.28 4.85 4.92 0.74 0.89 -4.93 119.66 125.64 1q23 s GLN 179 Ca 0.35 0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.99 1q23 s GLN 179 Cb -0.22 -0.83 0.00 0.00 1.10 0.00 0.00 33.01 33.06 1q23 s GLN 179 CO 0.24 -0.75 0.00 0.41 -0.55 0.00 0.00 175.29 174.64 1q23 n GLY 180 N 5.33 3.25 1.14 2.59 0.00 -1.26 -1.46 105.19 114.78 1q23 n GLY 180 Ca -0.04 0.26 0.11 0.00 0.00 0.00 0.00 46.02 46.35 1q23 n GLY 180 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q23 n ASP 181 N 6.81 3.35 -4.90 1.61 10.43 -1.26 -4.93 116.55 127.65 1q23 n ASP 181 Ca 0.00 -1.98 -0.33 0.00 2.57 0.00 0.00 54.79 55.05 1q23 n ASP 181 Cb 0.00 -0.35 -0.05 0.00 1.84 0.00 0.00 41.12 42.56 1q23 n ASP 181 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1q23 s LYS 182 N -1.30 3.49 -0.21 -1.24 1.02 -0.54 -5.00 119.74 115.96 1q23 s LYS 182 Ca 0.41 -0.25 -0.05 0.00 0.02 0.00 0.00 55.97 56.10 1q23 s LYS 182 Cb 0.22 -3.07 -0.02 0.00 -0.52 0.00 0.00 37.83 34.45 1q23 s LYS 182 CO 0.30 0.64 -0.00 0.08 -0.92 0.00 0.00 175.35 175.45 1q23 s VAL 183 N -1.37 3.82 -0.00 3.17 1.01 -1.26 -0.08 120.40 125.70 1q23 s VAL 183 Ca 0.29 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.99 1q23 s VAL 183 Cb -0.13 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1q23 s VAL 183 CO 0.20 0.42 -0.22 -0.76 0.00 0.00 0.00 175.10 174.73 1q23 s LEU 184 N 1.21 2.33 -0.11 3.92 1.43 0.11 -0.78 118.68 126.78 1q23 s LEU 184 Ca 0.03 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1q23 s LEU 184 Cb -0.15 -1.41 0.01 0.00 0.03 0.00 0.00 46.19 44.68 1q23 s LEU 184 CO 0.01 0.30 -0.18 -0.32 0.23 0.00 0.00 176.35 176.38 1q23 s MET 185 N -0.93 2.54 0.29 1.70 -2.45 -0.51 0.79 119.30 120.73 1q23 s MET 185 Ca 0.12 -0.68 -0.30 0.00 -1.25 0.00 0.00 55.69 53.58 1q23 s MET 185 Cb -0.10 -2.06 -0.13 0.00 1.25 0.00 0.00 34.83 33.79 1q23 s MET 185 CO 0.01 0.01 1.32 -2.30 1.05 0.00 0.00 175.02 175.11 1q23 n PRO 186 N 3.99 2.01 -3.65 4.11 -0.02 -1.26 -2.18 135.00 137.99 1q23 n PRO 186 Ca -0.20 0.71 -0.23 0.00 -2.02 0.00 0.00 63.50 61.77 1q23 n PRO 186 Cb 0.52 -2.31 -0.18 0.00 -0.02 0.00 0.00 33.50 31.51 1q23 n PRO 186 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1q23 s LEU 187 N -0.35 0.27 0.11 2.45 2.96 -0.64 -1.77 118.68 121.72 1q23 s LEU 187 Ca 0.62 -0.22 0.07 0.00 -0.22 0.00 0.00 54.13 54.38 1q23 s LEU 187 Cb -0.62 -0.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.82 1q23 s LEU 187 CO 0.56 -0.29 -0.08 0.00 -1.32 0.00 0.00 176.35 175.23 1q23 s ALA 188 N 2.14 3.03 -0.06 5.97 0.00 -0.29 -1.30 121.76 131.25 1q23 s ALA 188 Ca 0.04 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.73 1q23 s ALA 188 Cb -0.14 -0.94 0.03 0.00 0.00 0.00 0.00 23.12 22.07 1q23 s ALA 188 CO -0.06 0.62 0.00 -1.50 0.00 0.00 0.00 175.76 174.83 1q23 s ILE 189 N -1.32 0.32 -0.16 0.00 1.10 -0.63 -0.23 121.20 120.29 1q23 s ILE 189 Ca 0.23 0.13 -0.16 0.00 -0.51 0.00 0.00 60.65 60.34 1q23 s ILE 189 Cb -0.11 -0.47 -0.04 0.00 0.15 0.00 0.00 42.46 41.99 1q23 s ILE 189 CO 0.15 0.24 0.38 -1.58 -2.11 0.00 0.00 174.94 172.02 1q23 s GLN 190 N 1.81 4.26 0.21 3.50 -0.44 0.46 -2.30 119.66 127.17 1q23 s GLN 190 Ca 0.02 0.24 0.04 0.00 -2.50 0.00 0.00 55.36 53.16 1q23 s GLN 190 Cb -0.13 -3.47 -0.05 0.00 -1.64 0.00 0.00 33.01 27.73 1q23 s GLN 190 CO -0.04 0.12 -0.02 0.14 0.50 0.00 0.00 175.29 175.99 1q23 s VAL 191 N 0.80 1.05 -0.11 1.34 -7.23 -0.13 -1.83 120.40 114.29 1q23 s VAL 191 Ca 0.20 -2.04 -0.21 0.00 -1.81 0.00 0.00 61.98 58.12 1q23 s VAL 191 Cb -0.14 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 1q23 s VAL 191 CO 0.07 -0.41 0.62 -2.28 -0.31 0.00 0.00 175.10 172.79 1q23 s HIS 192 N -3.41 3.51 0.66 2.82 2.46 -1.26 -1.61 115.29 118.46 1q23 s HIS 192 Ca 0.26 1.07 0.42 0.00 0.47 0.00 0.00 55.06 57.28 1q23 s HIS 192 Cb 0.05 -2.73 2.32 0.00 -0.13 0.00 0.00 32.58 32.09 1q23 s HIS 192 CO 0.07 0.05 2.35 1.25 -2.47 0.00 0.00 174.74 175.99 1q23 h HIS 193 N 6.90 0.00 -0.36 3.88 2.76 -1.47 -2.27 115.15 124.59 1q23 h HIS 193 Ca -0.39 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 57.73 1q23 h HIS 193 Cb 1.18 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.12 1q23 h HIS 193 CO 0.65 0.00 0.01 0.00 -1.30 0.00 0.00 177.93 177.29 1q23 h ALA 194 N 1.98 1.33 0.00 5.26 0.00 -1.81 -3.27 119.26 122.76 1q23 h ALA 194 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1q23 h ALA 194 Cb 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1q23 h ALA 194 CO -0.00 0.46 -1.59 1.33 0.00 0.00 0.00 179.25 179.45 1q23 n VAL 195 N -4.27 0.00 -3.85 0.00 0.24 -0.90 -4.52 118.33 105.03 1q23 n VAL 195 Ca 0.02 -0.34 -0.16 0.00 -2.04 0.00 0.00 64.34 61.82 1q23 n VAL 195 Cb 0.25 0.28 -0.16 0.00 -1.47 0.00 0.00 33.84 32.73 1q23 n VAL 195 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q23 s ASP 197 N 1.06 5.04 0.47 0.00 -0.00 -1.26 -4.08 116.67 117.89 1q23 s ASP 197 Ca -0.09 -0.90 0.20 0.00 -0.00 0.00 0.00 52.55 51.76 1q23 s ASP 197 Cb -0.13 0.25 1.17 0.00 -0.00 0.00 0.00 42.92 44.21 1q23 s ASP 197 CO -0.02 -1.25 2.00 1.23 -0.00 0.00 0.00 175.17 177.13 1q23 h GLY 198 N 0.34 0.00 0.99 0.21 0.00 -1.99 -2.71 103.07 99.90 1q23 h GLY 198 Ca -0.32 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1q23 h GLY 198 CO 0.45 0.00 -0.04 -2.75 0.00 0.00 0.00 176.54 174.19 1q23 h PHE 199 N 0.00 -0.11 -0.49 5.60 3.04 -1.98 0.43 116.94 123.43 1q23 h PHE 199 Ca -0.00 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.02 1q23 h PHE 199 Cb 0.39 0.04 -0.06 0.00 2.56 0.00 0.00 35.95 38.87 1q23 h PHE 199 CO 0.00 -0.06 0.15 0.45 -2.02 0.00 0.00 178.31 176.84 1q23 h HIS 200 N -0.13 0.26 -0.06 0.41 -0.00 -1.87 0.14 115.15 113.90 1q23 h HIS 200 Ca -0.01 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.37 1q23 h HIS 200 Cb 0.10 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 27.47 1q23 h HIS 200 CO -0.07 0.07 -0.03 0.28 -0.00 0.00 0.00 177.93 178.18 1q23 h VAL 201 N 0.31 1.32 -0.64 2.45 2.07 -1.39 -0.68 116.25 119.69 1q23 h VAL 201 Ca 0.24 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1q23 h VAL 201 Cb 0.28 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1q23 h VAL 201 CO -0.27 0.28 0.32 1.23 0.02 0.00 0.00 177.57 179.15 1q23 h GLY 202 N -0.24 0.99 1.00 2.17 0.00 -0.07 -0.70 103.07 106.23 1q23 h GLY 202 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1q23 h GLY 202 CO 0.01 0.46 0.34 -0.09 0.00 0.00 0.00 176.54 177.25 1q23 h ARG 203 N 0.89 0.69 -0.60 4.80 2.43 -0.70 -0.87 114.38 121.02 1q23 h ARG 203 Ca 0.22 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1q23 h ARG 203 Cb 0.10 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1q23 h ARG 203 CO -0.03 0.47 0.14 1.98 -1.51 0.00 0.00 179.97 181.02 1q23 h MET 204 N 0.70 0.96 -0.45 0.20 4.05 -0.58 -0.95 114.93 118.86 1q23 h MET 204 Ca 0.19 -0.23 -0.09 0.00 -0.28 0.00 0.00 59.70 59.28 1q23 h MET 204 Cb -0.07 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.59 1q23 h MET 204 CO -0.04 0.88 -0.10 -0.07 0.23 0.00 0.00 176.91 177.81 1q23 h LEU 205 N 0.87 0.80 -0.06 3.39 3.38 -0.96 0.59 115.31 123.32 1q23 h LEU 205 Ca 0.19 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1q23 h LEU 205 Cb 0.36 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1q23 h LEU 205 CO 0.00 0.93 0.03 0.78 0.09 0.00 0.00 178.44 180.27 1q23 h ASN 206 N 0.73 0.07 -0.36 -0.43 2.35 -1.08 -1.93 115.58 114.94 1q23 h ASN 206 Ca 0.12 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.72 1q23 h ASN 206 Cb 0.59 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1q23 h ASN 206 CO 0.04 0.14 0.03 -0.33 -1.65 0.00 0.00 177.43 175.66 1q23 h GLU 207 N -0.00 0.71 -0.44 0.81 5.08 -0.87 -2.32 114.58 117.54 1q23 h GLU 207 Ca 0.02 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1q23 h GLU 207 Cb 0.09 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1q23 h GLU 207 CO -0.00 0.71 0.28 1.25 -1.00 0.00 0.00 179.01 180.25 1q23 h LEU 208 N 0.68 0.48 -0.10 1.33 5.85 0.30 -0.71 115.31 123.14 1q23 h LEU 208 Ca 0.14 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1q23 h LEU 208 Cb 0.38 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1q23 h LEU 208 CO 0.01 0.35 -0.13 -0.61 -0.34 0.00 0.00 178.44 177.72 1q23 h GLN 209 N 0.58 -0.17 -0.06 1.25 5.75 -1.16 -1.15 115.11 120.15 1q23 h GLN 209 Ca 0.17 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.70 1q23 h GLN 209 Cb -0.04 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 1q23 h GLN 209 CO -0.05 -0.11 -0.10 1.96 -2.65 0.00 0.00 178.83 177.88 1q23 h GLN 210 N -0.17 -0.13 -1.00 1.69 4.20 -1.30 -1.65 115.11 116.74 1q23 h GLN 210 Ca 0.08 0.01 0.22 0.00 0.06 0.00 0.00 58.65 59.02 1q23 h GLN 210 Cb 0.28 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 27.99 1q23 h GLN 210 CO -0.20 -0.09 0.62 1.88 -0.67 0.00 0.00 178.83 180.38 1q23 h TYR 211 N -0.14 0.87 -0.18 2.96 0.99 -0.99 0.98 116.97 121.47 1q23 h TYR 211 Ca 0.06 0.03 -0.13 0.00 2.00 0.00 0.00 58.73 60.69 1q23 h TYR 211 Cb 0.22 -0.26 0.00 0.00 1.00 0.00 0.00 36.73 37.69 1q23 h TYR 211 CO -0.19 0.14 -0.39 0.00 -0.00 0.00 0.00 178.16 177.73 1q23 h ASP 213 N 0.24 0.00 0.00 0.00 3.32 -0.19 -2.89 116.42 116.90 1q23 h ASP 213 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1q23 h ASP 213 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1q23 h ASP 213 CO 0.09 0.13 -1.69 1.21 -1.72 0.00 0.00 179.24 177.26 1q23 n GLU 214 N -3.49 0.62 -1.67 3.56 2.13 0.20 -4.75 120.64 117.24 1q23 n GLU 214 Ca -0.01 -0.14 -0.45 0.00 0.66 0.00 0.00 57.16 57.22 1q23 n GLU 214 Cb 0.29 -1.40 -0.03 0.00 0.27 0.00 0.00 31.44 30.57 1q23 n GLU 214 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 1q23 n TRP 215 N -2.03 2.12 0.05 4.31 -0.00 -0.45 -5.00 117.44 116.45 1q23 n TRP 215 Ca -0.03 0.45 0.00 0.00 -0.00 0.00 0.00 57.50 57.92 1q23 n TRP 215 Cb 0.43 -2.45 0.00 0.00 -0.00 0.00 0.00 31.31 29.29 1q23 n TRP 215 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 1q23 n GLN 216 N 1.95 0.00 0.00 5.87 3.00 -1.26 -4.96 117.38 121.99 1q23 n GLN 216 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1q23 n GLN 216 Cb 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 30.24 30.41 1q23 n GLN 216 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1q23 n GLY 217 N 2.58 2.89 0.00 1.08 0.00 -1.26 -5.01 105.19 105.47 1q23 n GLY 217 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1q23 n GLY 217 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93