#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lo5 s GLU 2 N 0.00 1.95 0.30 1.43 0.41 -1.26 -5.16 118.70 116.37 1lo5 s GLU 2 Ca 0.00 -1.22 -0.29 0.00 -0.41 0.00 0.00 54.97 53.05 1lo5 s GLU 2 Cb 0.00 0.57 -0.10 0.00 -1.78 0.00 0.00 34.13 32.82 1lo5 s GLU 2 CO 0.00 -0.91 1.13 0.15 -0.49 0.00 0.00 175.26 175.14 1lo5 s LYS 3 N -2.56 4.55 -0.03 1.61 1.02 -1.26 -4.94 119.74 118.12 1lo5 s LYS 3 Ca 0.16 1.84 0.05 0.00 0.02 0.00 0.00 55.97 58.04 1lo5 s LYS 3 Cb -0.05 -3.11 0.20 0.00 -0.52 0.00 0.00 37.83 34.35 1lo5 s LYS 3 CO 0.09 0.12 0.99 0.45 -0.92 0.00 0.00 175.35 176.07 1lo5 n SER 4 N 1.01 1.67 -0.05 2.83 2.88 -1.26 -1.10 113.62 119.59 1lo5 n SER 4 Ca -0.00 -2.13 0.01 0.00 -1.33 0.00 0.00 58.87 55.42 1lo5 n SER 4 Cb 0.45 -0.34 -0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1lo5 n SER 4 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1lo5 n GLU 5 N 0.12 2.90 -0.03 -1.46 -0.58 -1.26 -3.92 120.64 116.41 1lo5 n GLU 5 Ca 0.07 -0.32 -0.03 0.00 -0.42 0.00 0.00 57.16 56.46 1lo5 n GLU 5 Cb 0.34 -0.82 -0.04 0.00 -0.57 0.00 0.00 31.44 30.34 1lo5 n GLU 5 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1lo5 n GLU 6 N -0.47 2.17 0.09 3.49 2.13 -1.02 -4.17 120.64 122.85 1lo5 n GLU 6 Ca 0.01 0.01 0.12 0.00 0.66 0.00 0.00 57.16 57.97 1lo5 n GLU 6 Cb 0.05 -1.14 0.27 0.00 0.27 0.00 0.00 31.44 30.89 1lo5 n GLU 6 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1lo5 h ILE 7 N 0.00 0.00 0.00 6.31 1.08 -1.37 -2.28 117.51 121.25 1lo5 h ILE 7 Ca -0.15 -0.53 0.00 0.00 -0.39 0.00 0.00 64.86 63.79 1lo5 h ILE 7 Cb 1.30 1.33 0.00 0.00 -3.07 0.00 0.00 36.82 36.38 1lo5 h ILE 7 CO -0.00 0.00 0.00 -3.20 -0.69 0.00 0.00 178.15 174.26 1lo5 n ASN 8 N -2.26 0.74 -0.08 1.72 5.15 -1.25 -3.93 115.26 115.35 1lo5 n ASN 8 Ca 0.04 0.63 -0.08 0.00 -0.60 0.00 0.00 54.58 54.57 1lo5 n ASN 8 Cb 0.44 -0.81 -0.04 0.00 -0.53 0.00 0.00 39.78 38.85 1lo5 n ASN 8 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1lo5 h GLU 9 N 0.00 0.00 -3.97 1.20 5.08 -1.57 -3.49 114.58 111.83 1lo5 h GLU 9 Ca 0.00 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.96 1lo5 h GLU 9 Cb 0.53 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.89 1lo5 h GLU 9 CO 0.00 0.22 -0.73 1.63 -1.00 0.00 0.00 179.01 179.13 1lo5 n LYS 10 N -4.59 0.00 -2.44 2.33 5.02 -1.23 -4.73 118.16 112.53 1lo5 n LYS 10 Ca -0.12 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.74 1lo5 n LYS 10 Cb 0.34 -0.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.69 1lo5 n LYS 10 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1lo5 n ASP 11 N 1.63 4.80 -4.79 4.39 5.75 -1.26 -4.99 116.55 122.07 1lo5 n ASP 11 Ca 0.06 -2.95 -0.34 0.00 -0.01 0.00 0.00 54.79 51.55 1lo5 n ASP 11 Cb 0.30 -1.63 -0.01 0.00 -1.03 0.00 0.00 41.12 38.74 1lo5 n ASP 11 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1lo5 s LEU 12 N 2.29 3.70 0.98 -2.12 1.43 -1.26 -5.03 118.68 118.67 1lo5 s LEU 12 Ca 0.47 1.94 -0.14 0.00 -1.03 0.00 0.00 54.13 55.37 1lo5 s LEU 12 Cb 0.06 -4.55 0.18 0.00 0.03 0.00 0.00 46.19 41.90 1lo5 s LEU 12 CO 0.01 -1.01 1.14 -0.13 0.23 0.00 0.00 176.35 176.59 1lo5 s ARG 13 N -3.53 0.54 0.49 1.70 1.81 -1.26 -5.07 118.95 113.62 1lo5 s ARG 13 Ca 0.67 0.21 0.05 0.00 -1.72 0.00 0.00 55.73 54.94 1lo5 s ARG 13 Cb -0.18 -1.78 -0.01 0.00 -0.45 0.00 0.00 34.95 32.54 1lo5 s ARG 13 CO 0.27 -2.59 0.25 0.15 -0.68 0.00 0.00 175.30 172.70 1lo5 s LYS 14 N -5.29 2.25 0.29 3.54 3.01 -1.26 -4.77 119.74 117.51 1lo5 s LYS 14 Ca 0.66 -2.01 0.18 0.00 -1.01 0.00 0.00 55.97 53.80 1lo5 s LYS 14 Cb -0.14 -1.97 0.11 0.00 -1.01 0.00 0.00 37.83 34.82 1lo5 s LYS 14 CO 0.55 -0.38 1.37 -0.22 0.51 0.00 0.00 175.35 177.18 1lo5 h LYS 15 N 1.11 0.00 -0.09 1.68 3.64 -1.58 -3.19 116.57 118.14 1lo5 h LYS 15 Ca -0.40 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.02 1lo5 h LYS 15 Cb 1.29 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.05 1lo5 h LYS 15 CO 0.65 0.28 -0.25 1.03 -2.27 0.00 0.00 179.45 178.89 1lo5 h SER 16 N 0.00 -0.77 0.00 4.20 0.87 -1.94 -2.32 113.55 113.59 1lo5 h SER 16 Ca -0.02 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1lo5 h SER 16 Cb 1.26 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 63.55 1lo5 h SER 16 CO 0.04 -0.30 0.00 -0.62 -0.53 0.00 0.00 176.83 175.41 1lo5 n GLU 17 N -5.37 0.03 -3.00 2.24 1.02 -1.20 -4.73 120.64 109.63 1lo5 n GLU 17 Ca -0.03 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.68 1lo5 n GLU 17 Cb 0.29 -1.30 -0.06 0.00 -0.02 0.00 0.00 31.44 30.35 1lo5 n GLU 17 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1lo5 s LEU 18 N -1.60 4.35 0.08 -4.62 1.43 -0.88 -5.00 118.68 112.44 1lo5 s LEU 18 Ca 0.01 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.58 1lo5 s LEU 18 Cb 0.00 -2.87 -0.06 0.00 0.03 0.00 0.00 46.19 43.30 1lo5 s LEU 18 CO 0.01 -0.90 1.11 -1.10 0.23 0.00 0.00 176.35 175.69 1lo5 s GLN 19 N 3.18 4.52 0.91 1.70 -0.21 -1.26 -4.87 119.66 123.63 1lo5 s GLN 19 Ca 0.27 1.65 0.00 0.00 0.02 0.00 0.00 55.36 57.31 1lo5 s GLN 19 Cb -0.13 -3.36 0.00 0.00 1.00 0.00 0.00 33.01 30.52 1lo5 s GLN 19 CO 0.21 -0.09 0.00 0.41 -2.12 0.00 0.00 175.29 173.70 1lo5 n GLY 20 N 2.77 0.12 0.00 3.09 0.00 -1.26 -3.48 105.19 106.42 1lo5 n GLY 20 Ca 0.06 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1lo5 n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1lo5 n THR 21 N -0.41 0.01 0.05 2.61 -2.24 -1.26 -3.49 114.28 109.55 1lo5 n THR 21 Ca 0.00 0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.65 1lo5 n THR 21 Cb 0.00 -1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 67.12 1lo5 n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lo5 h ALA 22 N 0.28 -0.89 -0.40 6.98 0.00 -1.67 -1.69 119.26 121.86 1lo5 h ALA 22 Ca 0.00 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.91 1lo5 h ALA 22 Cb 0.04 0.92 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 1lo5 h ALA 22 CO 0.00 -1.08 -0.33 1.25 0.00 0.00 0.00 179.25 179.09 1lo5 h LEU 23 N -0.65 -1.10 -2.23 0.00 5.85 -1.84 0.63 115.31 115.96 1lo5 h LEU 23 Ca 0.02 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1lo5 h LEU 23 Cb 0.71 0.52 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1lo5 h LEU 23 CO -0.36 -0.32 0.05 1.23 -0.34 0.00 0.00 178.44 178.70 1lo5 h GLY 24 N -0.25 0.00 0.98 3.75 0.00 -1.69 0.24 103.07 106.09 1lo5 h GLY 24 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1lo5 h GLY 24 CO -0.54 0.00 -0.75 0.70 0.00 0.00 0.00 176.54 175.94 1lo5 n ASN 25 N -2.72 0.67 0.06 0.19 3.02 0.21 -1.03 115.26 115.66 1lo5 n ASN 25 Ca -0.02 0.01 -0.13 0.00 -0.03 0.00 0.00 54.58 54.41 1lo5 n ASN 25 Cb 0.11 0.36 -0.14 0.00 -0.61 0.00 0.00 39.78 39.50 1lo5 n ASN 25 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1lo5 h LEU 26 N 0.00 0.26 0.00 3.41 3.38 -0.19 0.45 115.31 122.62 1lo5 h LEU 26 Ca 0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1lo5 h LEU 26 Cb 0.74 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1lo5 h LEU 26 CO 0.00 1.28 -0.01 0.50 0.09 0.00 0.00 178.44 180.30 1lo5 h LYS 27 N 0.05 0.00 0.00 1.13 3.64 -1.44 -0.75 116.57 119.20 1lo5 h LYS 27 Ca -0.18 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1lo5 h LYS 27 Cb 1.96 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.77 1lo5 h LYS 27 CO 0.15 0.00 -0.04 0.37 -2.27 0.00 0.00 179.45 177.66 1lo5 h GLN 28 N 0.00 0.00 -0.16 1.90 5.75 -0.89 -2.63 115.11 119.09 1lo5 h GLN 28 Ca 0.00 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.55 1lo5 h GLN 28 Cb 0.89 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.39 1lo5 h GLN 28 CO 0.00 0.13 -0.16 0.82 -2.65 0.00 0.00 178.83 176.98 1lo5 h ILE 29 N -1.00 0.57 0.13 2.39 2.04 -0.13 0.23 117.51 121.75 1lo5 h ILE 29 Ca -0.00 0.00 -0.28 0.00 1.00 0.00 0.00 64.86 65.58 1lo5 h ILE 29 Cb 0.17 0.57 0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1lo5 h ILE 29 CO -0.00 0.00 -1.24 1.88 0.00 0.00 0.00 178.15 178.79 1lo5 h TYR 30 N -0.18 0.63 0.00 1.37 0.05 -1.31 -3.39 116.97 114.14 1lo5 h TYR 30 Ca 0.11 -0.44 0.00 0.00 0.05 0.00 0.00 58.73 58.45 1lo5 h TYR 30 Cb 0.34 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.04 1lo5 h TYR 30 CO -0.29 1.32 -0.51 0.98 -1.05 0.00 0.00 178.16 178.61 1lo5 n TYR 31 N -3.61 0.00 -0.04 4.88 9.36 -1.01 -4.47 117.16 122.26 1lo5 n TYR 31 Ca -0.10 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 60.98 1lo5 n TYR 31 Cb 1.01 -0.25 -0.12 0.00 -0.63 0.00 0.00 39.34 39.34 1lo5 n TYR 31 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1lo5 h TYR 32 N -0.51 0.05 -3.02 2.98 0.05 -1.48 -3.48 116.97 111.56 1lo5 h TYR 32 Ca 0.00 -0.03 -0.55 0.00 0.05 0.00 0.00 58.73 58.21 1lo5 h TYR 32 Cb 0.51 -0.01 0.21 0.00 1.01 0.00 0.00 36.73 38.46 1lo5 h TYR 32 CO -0.22 0.83 -0.81 0.09 -1.05 0.00 0.00 178.16 177.00 1lo5 n ASN 33 N -4.67 -2.73 -4.97 3.88 4.13 0.81 -5.03 115.26 106.69 1lo5 n ASN 33 Ca -0.09 0.38 -0.22 0.00 1.68 0.00 0.00 54.58 56.33 1lo5 n ASN 33 Cb 0.41 -1.10 0.03 0.00 -1.54 0.00 0.00 39.78 37.58 1lo5 n ASN 33 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1lo5 s GLU 34 N -2.98 2.61 -0.09 3.52 2.02 -1.26 -4.93 118.70 117.60 1lo5 s GLU 34 Ca 0.56 -0.69 -0.20 0.00 0.02 0.00 0.00 54.97 54.65 1lo5 s GLU 34 Cb -0.25 -2.48 0.05 0.00 0.10 0.00 0.00 34.13 31.55 1lo5 s GLU 34 CO 0.68 -0.67 0.48 -1.59 0.02 0.00 0.00 175.26 174.18 1lo5 s LYS 35 N -4.76 0.74 0.58 1.61 0.00 -1.26 -4.29 119.74 112.36 1lo5 s LYS 35 Ca 0.56 0.27 -0.18 0.00 0.00 0.00 0.00 55.97 56.62 1lo5 s LYS 35 Cb -0.10 0.34 -0.04 0.00 0.00 0.00 0.00 37.83 38.03 1lo5 s LYS 35 CO 0.39 -0.18 1.14 0.00 0.00 0.00 0.00 175.35 176.70 1lo5 s ALA 36 N -0.67 2.61 -0.36 0.59 0.00 0.30 -4.87 121.76 119.35 1lo5 s ALA 36 Ca -0.08 0.79 -0.06 0.00 0.00 0.00 0.00 51.96 52.62 1lo5 s ALA 36 Cb -0.03 -3.37 0.21 0.00 0.00 0.00 0.00 23.12 19.93 1lo5 s ALA 36 CO 0.04 -0.96 1.05 0.21 0.00 0.00 0.00 175.76 176.10 1lo5 s LYS 37 N -3.48 0.30 -0.27 0.00 2.36 -1.25 -2.16 119.74 115.24 1lo5 s LYS 37 Ca 0.72 -0.27 -0.03 0.00 -2.55 0.00 0.00 55.97 53.85 1lo5 s LYS 37 Cb -0.24 -0.01 0.11 0.00 -1.05 0.00 0.00 37.83 36.64 1lo5 s LYS 37 CO 0.31 -0.38 0.21 0.99 1.55 0.00 0.00 175.35 178.04 1lo5 s THR 38 N 1.14 -0.26 0.73 3.43 2.01 -1.16 -4.97 115.64 116.56 1lo5 s THR 38 Ca 0.23 -0.50 -0.16 0.00 0.31 0.00 0.00 61.69 61.57 1lo5 s THR 38 Cb 0.10 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.69 1lo5 s THR 38 CO -0.11 -0.50 0.72 -1.84 -0.69 0.00 0.00 174.62 172.20 1lo5 n GLU 39 N 5.29 0.35 -2.45 4.92 0.00 -1.26 -3.97 120.64 123.51 1lo5 n GLU 39 Ca -0.04 0.17 -0.21 0.00 0.00 0.00 0.00 57.16 57.08 1lo5 n GLU 39 Cb 0.46 -2.00 -0.00 0.00 0.00 0.00 0.00 31.44 29.89 1lo5 n GLU 39 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1lo5 n ASN 40 N -0.99 -5.85 -4.92 -1.84 5.15 -1.07 -4.98 115.26 100.76 1lo5 n ASN 40 Ca 0.11 -0.05 -0.25 0.00 -0.60 0.00 0.00 54.58 53.79 1lo5 n ASN 40 Cb 0.50 -4.84 0.07 0.00 -0.53 0.00 0.00 39.78 34.98 1lo5 n ASN 40 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1lo5 s LYS 41 N -5.09 2.21 0.17 1.20 -0.14 0.74 -4.71 119.74 114.12 1lo5 s LYS 41 Ca 0.03 -0.34 0.03 0.00 -1.36 0.00 0.00 55.97 54.33 1lo5 s LYS 41 Cb -0.01 -2.21 -0.01 0.00 -1.68 0.00 0.00 37.83 33.92 1lo5 s LYS 41 CO 0.04 -1.19 0.16 -1.91 -0.76 0.00 0.00 175.35 171.69 1lo5 n GLU 42 N -2.86 0.24 0.00 1.68 2.13 -1.26 -0.05 120.64 120.52 1lo5 n GLU 42 Ca 0.08 -1.63 0.00 0.00 0.66 0.00 0.00 57.16 56.27 1lo5 n GLU 42 Cb 0.60 1.38 0.00 0.00 0.27 0.00 0.00 31.44 33.69 1lo5 n GLU 42 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1lo5 n SER 43 N -2.25 0.00 -2.58 4.31 2.88 -1.26 -4.95 113.62 109.76 1lo5 n SER 43 Ca 0.03 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.47 1lo5 n SER 43 Cb 0.30 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.80 1lo5 n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lo5 n HIS 44 N -1.45 1.81 -4.35 0.66 1.44 -1.26 0.18 115.22 112.24 1lo5 n HIS 44 Ca 0.00 -2.45 -0.34 0.00 -2.01 0.00 0.00 57.72 52.92 1lo5 n HIS 44 Cb 0.00 -0.27 -0.12 0.00 0.12 0.00 0.00 29.99 29.72 1lo5 n HIS 44 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1lo5 s ASP 45 N -3.55 4.94 0.27 4.39 1.01 -1.26 -4.90 116.67 117.56 1lo5 s ASP 45 Ca 0.35 -0.08 0.05 0.00 0.71 0.00 0.00 52.55 53.58 1lo5 s ASP 45 Cb 0.38 -1.77 -0.02 0.00 1.01 0.00 0.00 42.92 42.53 1lo5 s ASP 45 CO -0.02 0.19 0.18 0.00 0.21 0.00 0.00 175.17 175.73 1lo5 n GLN 46 N 3.39 0.41 0.00 8.23 6.02 -1.26 0.58 117.38 134.75 1lo5 n GLN 46 Ca -0.17 -2.58 0.00 0.00 -0.01 0.00 0.00 57.00 54.24 1lo5 n GLN 46 Cb 0.53 1.89 0.00 0.00 1.02 0.00 0.00 30.24 33.68 1lo5 n GLN 46 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1lo5 n PHE 47 N -0.55 0.00 -2.53 1.08 7.35 -1.26 -4.76 117.46 116.79 1lo5 n PHE 47 Ca 0.03 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.65 1lo5 n PHE 47 Cb 0.46 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.33 1lo5 n PHE 47 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1lo5 n LEU 48 N -0.63 0.00 0.06 -2.13 4.77 -1.26 -5.01 117.00 112.80 1lo5 n LEU 48 Ca 0.00 -0.69 0.13 0.00 -0.03 0.00 0.00 56.01 55.41 1lo5 n LEU 48 Cb 0.00 -0.19 0.37 0.00 -2.33 0.00 0.00 43.42 41.27 1lo5 n LEU 48 CO 0.00 -0.63 0.72 0.00 -1.33 0.00 0.00 177.39 176.15 1lo5 n GLN 49 N -1.53 0.20 -0.01 3.23 10.64 -1.26 -3.52 117.38 125.13 1lo5 n GLN 49 Ca 0.05 0.12 0.14 0.00 -1.83 0.00 0.00 57.00 55.49 1lo5 n GLN 49 Cb 0.19 -1.69 0.69 0.00 -0.86 0.00 0.00 30.24 28.57 1lo5 n GLN 49 CO 0.00 0.00 0.00 -2.39 -1.83 0.00 0.00 177.06 172.84 1lo5 n HIS 50 N -2.01 0.01 -4.48 2.61 1.44 -1.26 -4.31 115.22 107.23 1lo5 n HIS 50 Ca 0.05 -0.01 -0.29 0.00 -2.01 0.00 0.00 57.72 55.46 1lo5 n HIS 50 Cb 0.41 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.44 1lo5 n HIS 50 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1lo5 s THR 51 N -1.99 1.67 -0.13 0.61 -4.23 -1.23 -1.12 115.64 109.23 1lo5 s THR 51 Ca 0.41 -1.87 -0.06 0.00 -1.18 0.00 0.00 61.69 58.99 1lo5 s THR 51 Cb 0.21 -2.54 0.05 0.00 1.34 0.00 0.00 72.50 71.56 1lo5 s THR 51 CO 0.34 0.00 0.29 -0.63 -0.54 0.00 0.00 174.62 174.08 1lo5 s ILE 52 N -2.77 -0.12 -0.10 2.99 1.09 -0.65 -4.59 121.20 117.07 1lo5 s ILE 52 Ca 0.24 0.16 -0.03 0.00 -1.10 0.00 0.00 60.65 59.92 1lo5 s ILE 52 Cb 0.04 -0.45 -0.03 0.00 -1.06 0.00 0.00 42.46 40.95 1lo5 s ILE 52 CO 0.13 0.07 0.01 -0.22 -0.10 0.00 0.00 174.94 174.83 1lo5 s LEU 53 N 1.52 3.64 -0.95 2.97 2.96 0.20 0.61 118.68 129.62 1lo5 s LEU 53 Ca -0.07 0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.97 1lo5 s LEU 53 Cb -0.10 -1.84 0.26 0.00 0.50 0.00 0.00 46.19 45.01 1lo5 s LEU 53 CO -0.10 0.36 1.04 0.49 -1.32 0.00 0.00 176.35 176.83 1lo5 n PHE 54 N 2.25 3.78 -1.68 5.38 3.01 0.36 -4.46 117.46 126.10 1lo5 n PHE 54 Ca -0.19 -3.65 -0.65 0.00 1.01 0.00 0.00 57.45 53.97 1lo5 n PHE 54 Cb 0.54 -1.19 -0.10 0.00 -0.01 0.00 0.00 39.48 38.72 1lo5 n PHE 54 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1lo5 n LYS 55 N 1.86 0.00 -3.34 -1.08 5.02 -1.26 -1.15 118.16 118.22 1lo5 n LYS 55 Ca 0.25 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.38 1lo5 n LYS 55 Cb 0.37 -1.46 0.04 0.00 -0.02 0.00 0.00 35.03 33.96 1lo5 n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1lo5 n GLY 56 N 3.65 -1.16 0.11 0.72 0.00 -0.76 -4.95 105.19 102.81 1lo5 n GLY 56 Ca 0.29 0.53 -0.13 0.00 0.00 0.00 0.00 46.02 46.71 1lo5 n GLY 56 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1lo5 n PHE 57 N -3.04 0.27 -3.45 1.61 7.35 0.46 -4.92 117.46 115.73 1lo5 n PHE 57 Ca -0.07 0.08 -0.38 0.00 -0.76 0.00 0.00 57.45 56.32 1lo5 n PHE 57 Cb 0.59 -1.04 -0.08 0.00 0.35 0.00 0.00 39.48 39.29 1lo5 n PHE 57 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1lo5 s PHE 58 N -2.52 3.37 -0.31 -5.13 0.08 -1.22 -4.98 117.98 107.27 1lo5 s PHE 58 Ca -0.17 0.53 0.02 0.00 0.12 0.00 0.00 56.93 57.44 1lo5 s PHE 58 Cb 0.07 -2.46 0.09 0.00 -0.57 0.00 0.00 43.02 40.15 1lo5 s PHE 58 CO 0.76 0.02 0.04 -0.08 -0.10 0.00 0.00 175.22 175.86 1lo5 s THR 59 N 1.21 1.73 0.00 0.64 -1.32 -1.26 -4.55 115.64 112.09 1lo5 s THR 59 Ca 0.16 -1.83 0.00 0.00 -1.21 0.00 0.00 61.69 58.82 1lo5 s THR 59 Cb -0.14 -2.21 0.00 0.00 -1.51 0.00 0.00 72.50 68.64 1lo5 s THR 59 CO 0.07 -0.50 0.00 -0.67 -2.21 0.00 0.00 174.62 171.31 1lo5 n ASP 60 N 4.51 0.00 -4.51 8.08 2.03 -1.26 -5.12 116.55 120.28 1lo5 n ASP 60 Ca -0.02 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.96 1lo5 n ASP 60 Cb 0.42 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.70 1lo5 n ASP 60 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1lo5 s HIS 61 N -2.00 2.94 -0.98 -0.67 2.46 -1.26 -5.02 115.29 110.76 1lo5 s HIS 61 Ca 0.00 -0.23 0.07 0.00 0.47 0.00 0.00 55.06 55.37 1lo5 s HIS 61 Cb 0.00 -1.83 0.31 0.00 -0.13 0.00 0.00 32.58 30.93 1lo5 s HIS 61 CO 0.00 0.09 1.23 -1.13 -2.47 0.00 0.00 174.74 172.45 1lo5 n SER 62 N 2.98 0.02 0.08 9.88 3.41 -1.26 -4.35 113.62 124.38 1lo5 n SER 62 Ca -0.18 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1lo5 n SER 62 Cb 0.53 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1lo5 n SER 62 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1lo5 n TRP 63 N -1.52 -1.19 -2.15 7.33 7.02 -1.26 -5.13 117.44 120.54 1lo5 n TRP 63 Ca 0.02 0.21 -0.28 0.00 -1.02 0.00 0.00 57.50 56.43 1lo5 n TRP 63 Cb 0.08 0.36 0.15 0.00 -2.42 0.00 0.00 31.31 29.48 1lo5 n TRP 63 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 1lo5 s TYR 64 N -2.00 1.77 0.00 -5.99 2.02 -1.25 -4.27 117.35 107.63 1lo5 s TYR 64 Ca 0.00 0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.87 1lo5 s TYR 64 Cb 0.00 -3.67 0.00 0.00 -0.40 0.00 0.00 41.96 37.89 1lo5 s TYR 64 CO 0.00 -2.22 0.00 0.09 -1.57 0.00 0.00 175.55 171.85 1lo5 n ASN 65 N -3.39 0.00 -3.85 2.29 4.13 -0.47 -4.62 115.26 109.35 1lo5 n ASN 65 Ca 0.14 -0.56 -0.12 0.00 1.68 0.00 0.00 54.58 55.72 1lo5 n ASN 65 Cb 0.60 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.72 1lo5 n ASN 65 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1lo5 s ASP 66 N 0.00 -0.08 -0.09 6.41 1.01 -1.23 -0.40 116.67 122.29 1lo5 s ASP 66 Ca 0.00 0.10 0.01 0.00 0.71 0.00 0.00 52.55 53.37 1lo5 s ASP 66 Cb 0.00 0.25 0.02 0.00 1.01 0.00 0.00 42.92 44.20 1lo5 s ASP 66 CO 0.00 -0.15 -0.10 -0.22 0.21 0.00 0.00 175.17 174.91 1lo5 s LEU 67 N -0.41 1.44 -0.30 1.23 2.96 -1.25 -1.40 118.68 120.95 1lo5 s LEU 67 Ca -0.05 -0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 53.47 1lo5 s LEU 67 Cb -0.03 -0.86 0.00 0.00 0.50 0.00 0.00 46.19 45.80 1lo5 s LEU 67 CO 0.01 -0.04 0.10 -0.22 -1.32 0.00 0.00 176.35 174.88 1lo5 s LEU 68 N 1.20 3.89 -0.13 -0.68 2.96 0.29 -0.49 118.68 125.73 1lo5 s LEU 68 Ca -0.04 -0.60 -0.23 0.00 -0.22 0.00 0.00 54.13 53.03 1lo5 s LEU 68 Cb -0.14 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 1lo5 s LEU 68 CO -0.03 -0.18 0.72 -0.69 -1.32 0.00 0.00 176.35 174.86 1lo5 s VAL 69 N 1.55 4.99 -0.34 1.68 1.01 0.20 -1.77 120.40 127.72 1lo5 s VAL 69 Ca 0.04 1.44 -0.12 0.00 0.00 0.00 0.00 61.98 63.34 1lo5 s VAL 69 Cb -0.17 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1lo5 s VAL 69 CO 0.04 0.14 0.21 -1.81 0.00 0.00 0.00 175.10 173.68 1lo5 s ASP 70 N 1.02 5.84 0.43 3.32 1.01 -0.82 -1.63 116.67 125.84 1lo5 s ASP 70 Ca 0.35 -0.54 0.08 0.00 0.71 0.00 0.00 52.55 53.15 1lo5 s ASP 70 Cb -0.17 -2.08 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 1lo5 s ASP 70 CO 0.14 -0.25 0.44 -0.36 0.21 0.00 0.00 175.17 175.36 1lo5 s PHE 71 N 1.66 2.63 0.15 4.23 0.40 -0.27 -3.18 117.98 123.60 1lo5 s PHE 71 Ca 0.05 -0.50 -0.05 0.00 -0.60 0.00 0.00 56.93 55.83 1lo5 s PHE 71 Cb -0.18 -2.21 -0.01 0.00 0.51 0.00 0.00 43.02 41.13 1lo5 s PHE 71 CO 0.09 -0.25 1.39 -0.44 0.70 0.00 0.00 175.22 176.71 1lo5 h ASP 72 N 0.89 0.64 -5.12 1.36 3.32 -1.78 -3.44 116.42 112.29 1lo5 h ASP 72 Ca -0.40 -0.42 -0.04 0.00 0.02 0.00 0.00 57.03 56.18 1lo5 h ASP 72 Cb 1.27 -0.19 -0.11 0.00 0.22 0.00 0.00 39.33 40.52 1lo5 h ASP 72 CO 0.54 1.18 -0.07 -0.94 -1.72 0.00 0.00 179.24 178.23 1lo5 s SER 73 N -7.02 -0.19 0.27 6.45 1.04 -1.26 -4.99 113.70 108.01 1lo5 s SER 73 Ca -0.07 -0.53 -0.00 0.00 0.48 0.00 0.00 55.95 55.82 1lo5 s SER 73 Cb 0.10 0.52 0.49 0.00 0.10 0.00 0.00 66.02 67.23 1lo5 s SER 73 CO 0.86 -0.98 1.85 0.50 0.98 0.00 0.00 173.24 176.46 1lo5 h LYS 74 N 2.31 1.02 -0.55 4.02 3.64 -1.88 0.63 116.57 125.76 1lo5 h LYS 74 Ca -0.30 -0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.12 1lo5 h LYS 74 Cb 1.25 -0.23 -0.11 0.00 -0.41 0.00 0.00 32.23 32.73 1lo5 h LYS 74 CO 0.42 0.68 -0.27 -0.44 -2.27 0.00 0.00 179.45 177.57 1lo5 h ASP 75 N 1.05 -0.92 0.65 4.20 3.32 -1.94 0.38 116.42 123.17 1lo5 h ASP 75 Ca 0.47 0.20 -0.06 0.00 0.02 0.00 0.00 57.03 57.66 1lo5 h ASP 75 Cb 0.36 0.49 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 1lo5 h ASP 75 CO -0.23 -0.27 -0.28 0.40 -1.72 0.00 0.00 179.24 177.14 1lo5 h ILE 76 N -0.13 0.79 -0.02 0.35 2.04 -1.34 -2.82 117.51 116.38 1lo5 h ILE 76 Ca 0.24 -1.13 -0.18 0.00 1.00 0.00 0.00 64.86 64.79 1lo5 h ILE 76 Cb 0.52 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1lo5 h ILE 76 CO -0.63 0.27 -0.79 0.58 0.00 0.00 0.00 178.15 177.58 1lo5 h VAL 77 N 0.00 1.46 0.00 1.67 2.07 0.12 -3.17 116.25 118.39 1lo5 h VAL 77 Ca -0.00 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.11 1lo5 h VAL 77 Cb 0.68 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1lo5 h VAL 77 CO 0.04 0.71 0.00 0.44 0.02 0.00 0.00 177.57 178.77 1lo5 h ASP 78 N 0.14 0.00 0.48 0.57 3.32 -0.50 0.55 116.42 120.98 1lo5 h ASP 78 Ca -0.03 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.82 1lo5 h ASP 78 Cb 1.38 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.92 1lo5 h ASP 78 CO 0.12 0.00 -0.85 0.11 -1.72 0.00 0.00 179.24 176.90 1lo5 h LYS 79 N 0.00 0.26 0.00 3.56 1.79 -1.57 -3.37 116.57 117.24 1lo5 h LYS 79 Ca 0.00 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1lo5 h LYS 79 Cb 0.38 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1lo5 h LYS 79 CO 0.00 0.97 -1.04 0.66 -1.08 0.00 0.00 179.45 178.96 1lo5 n TYR 80 N -3.71 0.00 -2.08 -1.35 4.01 -0.86 -4.89 117.16 108.28 1lo5 n TYR 80 Ca -0.04 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.32 1lo5 n TYR 80 Cb 0.79 -0.14 0.01 0.00 -0.31 0.00 0.00 39.34 39.69 1lo5 n TYR 80 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1lo5 s LYS 81 N -2.46 3.61 -1.01 -0.72 2.20 0.19 -2.79 119.74 118.75 1lo5 s LYS 81 Ca 0.00 1.98 0.00 0.00 -0.36 0.00 0.00 55.97 57.59 1lo5 s LYS 81 Cb 0.08 -2.42 0.00 0.00 -1.51 0.00 0.00 37.83 33.98 1lo5 s LYS 81 CO 0.49 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 175.16 1lo5 n GLY 82 N 0.57 0.90 3.60 5.54 0.00 0.47 -4.90 105.19 111.38 1lo5 n GLY 82 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 1lo5 n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lo5 s LYS 83 N -2.66 1.97 0.20 1.61 -0.14 -1.12 -4.81 119.74 114.80 1lo5 s LYS 83 Ca 0.00 -1.85 -0.30 0.00 -1.36 0.00 0.00 55.97 52.46 1lo5 s LYS 83 Cb 0.00 -1.83 -0.09 0.00 -1.68 0.00 0.00 37.83 34.23 1lo5 s LYS 83 CO 0.00 0.12 1.31 0.21 -0.76 0.00 0.00 175.35 176.23 1lo5 s LYS 84 N -3.68 4.38 0.05 1.68 2.47 -1.26 -4.37 119.74 119.02 1lo5 s LYS 84 Ca 0.34 2.07 -0.07 0.00 -1.56 0.00 0.00 55.97 56.75 1lo5 s LYS 84 Cb 0.02 -3.19 -0.01 0.00 -1.46 0.00 0.00 37.83 33.19 1lo5 s LYS 84 CO 0.18 -0.25 0.12 0.14 0.16 0.00 0.00 175.35 175.70 1lo5 s VAL 85 N 0.07 0.14 -0.03 4.02 -7.23 0.93 -2.44 120.40 115.86 1lo5 s VAL 85 Ca 0.56 -1.18 0.04 0.00 -1.81 0.00 0.00 61.98 59.60 1lo5 s VAL 85 Cb -0.37 -1.11 -0.00 0.00 0.56 0.00 0.00 36.38 35.46 1lo5 s VAL 85 CO 0.39 -0.65 -0.16 -1.81 -0.31 0.00 0.00 175.10 172.56 1lo5 s ASP 86 N -2.43 1.95 0.24 4.85 1.01 -0.47 -0.18 116.67 121.65 1lo5 s ASP 86 Ca -0.01 -0.31 0.10 0.00 0.71 0.00 0.00 52.55 53.04 1lo5 s ASP 86 Cb 0.02 -0.45 -0.04 0.00 1.01 0.00 0.00 42.92 43.45 1lo5 s ASP 86 CO -0.07 0.15 -0.06 -0.76 0.21 0.00 0.00 175.17 174.64 1lo5 s LEU 87 N -0.05 3.04 -0.36 1.23 1.02 -1.26 -0.68 118.68 121.62 1lo5 s LEU 87 Ca -0.01 -0.68 -0.03 0.00 0.02 0.00 0.00 54.13 53.43 1lo5 s LEU 87 Cb -0.10 -1.61 0.25 0.00 0.02 0.00 0.00 46.19 44.75 1lo5 s LEU 87 CO 0.01 0.04 1.13 0.00 0.02 0.00 0.00 176.35 177.55 1lo5 n TYR 88 N -0.58 -1.03 -4.16 0.29 4.19 -0.47 -3.00 117.16 112.40 1lo5 n TYR 88 Ca -0.07 -0.82 -0.13 0.00 3.31 0.00 0.00 57.90 60.18 1lo5 n TYR 88 Cb 0.58 1.16 -0.05 0.00 0.49 0.00 0.00 39.34 41.52 1lo5 n TYR 88 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1lo5 n GLY 89 N 1.98 3.09 3.44 2.98 0.00 -0.92 -3.97 105.19 111.79 1lo5 n GLY 89 Ca 0.07 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 1lo5 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lo5 s ALA 90 N -2.88 3.33 0.68 4.61 0.00 -1.26 -0.54 121.76 125.69 1lo5 s ALA 90 Ca 0.27 -1.50 0.02 0.00 0.00 0.00 0.00 51.96 50.75 1lo5 s ALA 90 Cb 0.01 -2.52 0.11 0.00 0.00 0.00 0.00 23.12 20.72 1lo5 s ALA 90 CO 0.19 -1.09 0.94 1.52 0.00 0.00 0.00 175.76 177.32 1lo5 s TYR 91 N 1.62 1.58 0.33 0.00 -0.85 -1.26 -4.63 117.35 114.13 1lo5 s TYR 91 Ca 0.04 -0.38 -0.15 0.00 -0.52 0.00 0.00 57.07 56.06 1lo5 s TYR 91 Cb -0.18 -2.79 0.03 0.00 0.38 0.00 0.00 41.96 39.40 1lo5 s TYR 91 CO 0.07 -1.55 0.68 1.52 -1.52 0.00 0.00 175.55 174.76 1lo5 s TYR 92 N -3.01 0.19 0.00 -3.49 -0.85 0.12 -4.92 117.35 105.39 1lo5 s TYR 92 Ca 0.65 -0.70 0.00 0.00 -0.52 0.00 0.00 57.07 56.50 1lo5 s TYR 92 Cb -0.06 0.58 0.00 0.00 0.38 0.00 0.00 41.96 42.86 1lo5 s TYR 92 CO 0.43 -1.33 0.00 0.41 -1.52 0.00 0.00 175.55 173.54 1lo5 n GLY 93 N -0.49 0.00 3.64 5.49 0.00 -1.26 -0.48 105.19 112.09 1lo5 n GLY 93 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 1lo5 n GLY 93 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1lo5 n TYR 94 N -2.96 2.32 0.00 1.61 9.36 -1.26 -2.46 117.16 123.77 1lo5 n TYR 94 Ca 0.00 -0.22 0.00 0.00 3.32 0.00 0.00 57.90 61.00 1lo5 n TYR 94 Cb 0.47 -2.75 0.00 0.00 -0.63 0.00 0.00 39.34 36.43 1lo5 n TYR 94 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1lo5 n GLN 95 N 7.65 0.00 -1.47 2.98 1.13 -1.26 -4.78 117.38 121.62 1lo5 n GLN 95 Ca 0.24 0.00 -0.53 0.00 -1.94 0.00 0.00 57.00 54.77 1lo5 n GLN 95 Cb 0.39 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.68 1lo5 n GLN 95 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1lo5 s ALA 97 N -0.44 -1.24 0.00 0.00 0.00 -1.26 -4.91 121.76 113.91 1lo5 s ALA 97 Ca 0.77 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.99 1lo5 s ALA 97 Cb -1.06 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1lo5 s ALA 97 CO 0.56 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.47 1lo5 n GLY 98 N 2.37 1.17 0.00 0.00 0.00 -1.26 -5.05 105.19 102.42 1lo5 n GLY 98 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1lo5 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lo5 n GLY 99 N 0.00 0.99 3.70 -0.02 0.00 -1.26 -4.91 105.19 103.69 1lo5 n GLY 99 Ca 0.00 -1.95 -0.54 0.00 0.00 0.00 0.00 46.02 43.52 1lo5 n GLY 99 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1lo5 n THR 100 N -0.83 0.38 -1.15 2.61 -1.04 -1.26 -4.75 114.28 108.23 1lo5 n THR 100 Ca 0.00 -0.07 -0.41 0.00 -2.04 0.00 0.00 64.05 61.53 1lo5 n THR 100 Cb 0.00 -1.42 -0.03 0.00 -1.82 0.00 0.00 70.33 67.05 1lo5 n THR 100 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1lo5 n PRO 101 N 5.64 0.00 0.00 -2.82 -0.02 -1.26 -1.17 135.00 135.37 1lo5 n PRO 101 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1lo5 n PRO 101 Cb 0.19 -0.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 1lo5 n PRO 101 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1lo5 n ASN 102 N 1.52 0.00 -1.97 2.55 5.03 -1.26 -4.57 115.26 116.55 1lo5 n ASN 102 Ca 0.15 0.00 -0.22 0.00 0.87 0.00 0.00 54.58 55.38 1lo5 n ASN 102 Cb 0.17 -0.67 0.14 0.00 -1.02 0.00 0.00 39.78 38.40 1lo5 n ASN 102 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1lo5 n LYS 103 N -1.03 2.38 -4.52 3.52 5.02 -0.32 -4.79 118.16 118.43 1lo5 n LYS 103 Ca 0.00 -3.24 -0.21 0.00 -2.02 0.00 0.00 58.31 52.84 1lo5 n LYS 103 Cb 0.00 -2.13 -0.15 0.00 -0.02 0.00 0.00 35.03 32.74 1lo5 n LYS 103 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1lo5 s THR 104 N -3.81 1.03 0.11 -0.18 2.01 -1.17 -1.37 115.64 112.26 1lo5 s THR 104 Ca 0.56 -0.67 0.09 0.00 0.31 0.00 0.00 61.69 61.97 1lo5 s THR 104 Cb 0.46 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 1lo5 s THR 104 CO 0.04 0.21 -0.17 0.00 -0.69 0.00 0.00 174.62 174.01 1lo5 s ALA 105 N -0.45 2.71 0.11 7.40 0.00 -0.50 -4.73 121.76 126.30 1lo5 s ALA 105 Ca 0.04 -1.34 0.07 0.00 0.00 0.00 0.00 51.96 50.73 1lo5 s ALA 105 Cb -0.06 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1lo5 s ALA 105 CO -0.00 0.60 -0.09 0.00 0.00 0.00 0.00 175.76 176.27 1lo5 s MET 107 N -2.25 1.70 -0.32 0.00 0.00 -0.73 0.10 119.30 117.80 1lo5 s MET 107 Ca 0.22 -1.99 -0.02 0.00 0.00 0.00 0.00 55.69 53.91 1lo5 s MET 107 Cb -0.11 0.03 0.12 0.00 0.00 0.00 0.00 34.83 34.88 1lo5 s MET 107 CO 0.14 -0.54 0.19 0.71 0.00 0.00 0.00 175.02 175.52 1lo5 s TYR 108 N -3.51 0.42 0.00 4.11 2.02 -1.26 -1.95 117.35 117.18 1lo5 s TYR 108 Ca 0.36 -1.17 0.00 0.00 -0.37 0.00 0.00 57.07 55.89 1lo5 s TYR 108 Cb 0.03 -0.85 0.00 0.00 -0.40 0.00 0.00 41.96 40.74 1lo5 s TYR 108 CO 0.21 -0.84 0.00 0.41 -1.57 0.00 0.00 175.55 173.76 1lo5 n GLY 109 N 4.65 1.78 2.19 0.71 0.00 -1.19 -3.93 105.19 109.40 1lo5 n GLY 109 Ca 0.03 -0.67 -0.06 0.00 0.00 0.00 0.00 46.02 45.32 1lo5 n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lo5 n GLY 110 N 0.00 -0.19 3.16 -0.02 0.00 -1.26 -4.85 105.19 102.03 1lo5 n GLY 110 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1lo5 n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lo5 s VAL 111 N -2.09 2.11 0.39 1.61 1.01 -1.26 -1.37 120.40 120.80 1lo5 s VAL 111 Ca 0.00 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.11 1lo5 s VAL 111 Cb 0.00 -1.86 -0.06 0.00 0.00 0.00 0.00 36.38 34.46 1lo5 s VAL 111 CO 0.00 0.54 0.08 0.42 0.00 0.00 0.00 175.10 176.14 1lo5 s THR 112 N 0.95 2.30 0.42 3.92 -4.23 0.14 -4.96 115.64 114.18 1lo5 s THR 112 Ca -0.04 -1.87 -0.19 0.00 -1.18 0.00 0.00 61.69 58.41 1lo5 s THR 112 Cb -0.15 -2.93 -0.10 0.00 1.34 0.00 0.00 72.50 70.65 1lo5 s THR 112 CO -0.05 -0.06 0.91 -0.76 -0.54 0.00 0.00 174.62 174.12 1lo5 s LEU 113 N -3.79 3.94 -0.02 4.79 1.43 -1.26 -1.36 118.68 122.40 1lo5 s LEU 113 Ca 0.37 1.60 -0.01 0.00 -1.03 0.00 0.00 54.13 55.07 1lo5 s LEU 113 Cb 0.05 -4.45 -0.00 0.00 0.03 0.00 0.00 46.19 41.81 1lo5 s LEU 113 CO 0.20 -0.35 -0.02 -0.74 0.23 0.00 0.00 176.35 175.67 1lo5 h HIS 114 N 1.89 0.00 -0.68 0.29 -0.00 -1.78 -3.43 115.15 111.44 1lo5 h HIS 114 Ca -0.49 0.00 -0.47 0.00 -0.00 0.00 0.00 60.37 59.41 1lo5 h HIS 114 Cb 1.18 0.00 0.06 0.00 -0.00 0.00 0.00 27.41 28.65 1lo5 h HIS 114 CO 0.62 0.00 -0.27 -0.25 -0.00 0.00 0.00 177.93 178.04 1lo5 n ASP 115 N -2.55 -0.65 -4.18 3.26 8.00 -1.26 -1.01 116.55 118.15 1lo5 n ASP 115 Ca -0.01 0.77 -0.36 0.00 0.71 0.00 0.00 54.79 55.90 1lo5 n ASP 115 Cb 0.03 -0.64 -0.05 0.00 -0.02 0.00 0.00 41.12 40.44 1lo5 n ASP 115 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1lo5 n ASN 116 N 1.27 -2.23 -0.04 -2.24 3.02 -1.26 -4.81 115.26 108.97 1lo5 n ASN 116 Ca 0.12 -0.96 0.02 0.00 -0.03 0.00 0.00 54.58 53.74 1lo5 n ASN 116 Cb 0.14 -1.91 -0.01 0.00 -0.61 0.00 0.00 39.78 37.39 1lo5 n ASN 116 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1lo5 n ASN 117 N -2.39 0.46 -4.77 6.41 5.15 -0.18 -4.94 115.26 114.99 1lo5 n ASN 117 Ca 0.09 -0.73 -0.38 0.00 -0.60 0.00 0.00 54.58 52.96 1lo5 n ASN 117 Cb 0.47 0.78 -0.04 0.00 -0.53 0.00 0.00 39.78 40.46 1lo5 n ASN 117 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1lo5 s ARG 118 N -1.17 4.33 0.23 1.20 1.81 -1.26 -0.94 118.95 123.16 1lo5 s ARG 118 Ca 0.02 1.61 -0.02 0.00 -1.72 0.00 0.00 55.73 55.63 1lo5 s ARG 118 Cb 0.03 -2.77 -0.04 0.00 -0.45 0.00 0.00 34.95 31.72 1lo5 s ARG 118 CO 0.14 -0.01 0.45 -0.51 -0.68 0.00 0.00 175.30 174.69 1lo5 s LEU 119 N -2.22 4.17 0.44 2.53 1.43 -0.25 -4.81 118.68 119.98 1lo5 s LEU 119 Ca 0.53 0.50 0.11 0.00 -1.03 0.00 0.00 54.13 54.23 1lo5 s LEU 119 Cb -0.25 -3.28 0.99 0.00 0.03 0.00 0.00 46.19 43.67 1lo5 s LEU 119 CO 0.32 -0.10 2.06 0.71 0.23 0.00 0.00 176.35 179.58 1lo5 h THR 120 N 1.46 1.04 -2.96 5.49 1.35 -1.96 -3.42 112.91 113.91 1lo5 h THR 120 Ca -0.48 -0.14 -0.13 0.00 -0.55 0.00 0.00 66.41 65.11 1lo5 h THR 120 Cb 1.19 0.61 -0.23 0.00 -1.73 0.00 0.00 68.15 67.98 1lo5 h THR 120 CO 0.67 0.07 -0.31 -1.83 -0.25 0.00 0.00 175.52 173.88 1lo5 s GLU 121 N -5.38 0.48 0.12 4.72 -1.05 -1.26 -5.13 118.70 111.22 1lo5 s GLU 121 Ca -0.07 0.25 -0.35 0.00 -0.15 0.00 0.00 54.97 54.64 1lo5 s GLU 121 Cb 0.18 0.23 -0.16 0.00 -0.44 0.00 0.00 34.13 33.93 1lo5 s GLU 121 CO 0.72 -0.09 1.33 -1.91 0.95 0.00 0.00 175.26 176.26 1lo5 n GLU 122 N 2.36 1.32 -3.35 -4.83 2.13 -1.26 -4.92 120.64 112.08 1lo5 n GLU 122 Ca -0.16 0.47 -0.40 0.00 0.66 0.00 0.00 57.16 57.74 1lo5 n GLU 122 Cb 0.57 -2.10 -0.09 0.00 0.27 0.00 0.00 31.44 30.10 1lo5 n GLU 122 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1lo5 s LYS 123 N 0.28 3.93 -0.32 5.31 2.47 -0.90 -4.97 119.74 125.54 1lo5 s LYS 123 Ca 0.80 0.01 -0.19 0.00 -1.56 0.00 0.00 55.97 55.03 1lo5 s LYS 123 Cb -0.88 -3.69 -0.01 0.00 -1.46 0.00 0.00 37.83 31.79 1lo5 s LYS 123 CO 0.47 -0.35 0.54 0.15 0.16 0.00 0.00 175.35 176.32 1lo5 s LYS 124 N 2.13 3.80 -0.40 4.03 1.02 -1.26 -1.63 119.74 127.43 1lo5 s LYS 124 Ca 0.16 0.07 -0.26 0.00 0.02 0.00 0.00 55.97 55.96 1lo5 s LYS 124 Cb -0.16 -3.75 0.02 0.00 -0.52 0.00 0.00 37.83 33.42 1lo5 s LYS 124 CO 0.10 -0.56 0.94 0.08 -0.92 0.00 0.00 175.35 175.00 1lo5 s VAL 125 N 2.43 4.54 -0.09 3.17 1.01 0.54 -4.99 120.40 127.01 1lo5 s VAL 125 Ca 0.21 1.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.98 1lo5 s VAL 125 Cb -0.15 -4.37 -0.06 0.00 0.00 0.00 0.00 36.38 31.80 1lo5 s VAL 125 CO 0.12 -0.63 1.81 -2.84 0.00 0.00 0.00 175.10 173.55 1lo5 s PRO 126 N 3.60 3.95 -0.17 2.72 0.02 -1.26 -4.19 135.00 139.67 1lo5 s PRO 126 Ca 0.38 2.17 -0.05 0.00 0.02 0.00 0.00 61.00 63.52 1lo5 s PRO 126 Cb -0.11 -4.10 -0.03 0.00 0.02 0.00 0.00 34.50 30.28 1lo5 s PRO 126 CO 0.21 -1.14 -0.01 0.42 -0.33 0.00 0.00 177.00 176.16 1lo5 s ILE 127 N 4.96 4.16 -0.23 2.83 1.01 -1.26 0.12 121.20 132.80 1lo5 s ILE 127 Ca 0.81 -0.26 -0.05 0.00 0.00 0.00 0.00 60.65 61.14 1lo5 s ILE 127 Cb -0.34 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.27 1lo5 s ILE 127 CO 0.34 0.48 -0.00 0.20 0.00 0.00 0.00 174.94 175.95 1lo5 s ASN 128 N 0.39 4.63 0.31 3.58 0.01 -0.23 -4.64 114.94 118.98 1lo5 s ASN 128 Ca -0.02 -0.31 0.09 0.00 -0.71 0.00 0.00 52.86 51.92 1lo5 s ASN 128 Cb -0.14 -1.81 -0.05 0.00 0.41 0.00 0.00 41.25 39.67 1lo5 s ASN 128 CO 0.02 -0.01 -0.00 -0.22 -1.51 0.00 0.00 177.10 175.38 1lo5 s LEU 129 N 1.44 3.04 -0.10 0.60 0.20 -1.26 0.12 118.68 122.72 1lo5 s LEU 129 Ca 0.05 -0.85 -0.04 0.00 0.69 0.00 0.00 54.13 53.98 1lo5 s LEU 129 Cb -0.15 -1.49 0.05 0.00 -0.43 0.00 0.00 46.19 44.17 1lo5 s LEU 129 CO -0.00 -0.13 0.20 0.26 -0.29 0.00 0.00 176.35 176.39 1lo5 s TRP 130 N -2.44 -0.28 -0.83 5.38 0.51 0.45 -3.21 118.94 118.52 1lo5 s TRP 130 Ca 0.33 0.75 0.01 0.00 -2.12 0.00 0.00 56.10 55.08 1lo5 s TRP 130 Cb -0.03 -0.14 0.21 0.00 -0.81 0.00 0.00 33.47 32.70 1lo5 s TRP 130 CO 0.19 -0.29 0.74 -0.11 -0.51 0.00 0.00 176.95 176.97 1lo5 n LEU 131 N 5.16 3.96 -0.79 2.99 7.94 -1.12 -1.32 117.00 133.81 1lo5 n LEU 131 Ca -0.08 -5.19 0.00 0.00 -1.11 0.00 0.00 56.01 49.62 1lo5 n LEU 131 Cb 0.50 -0.97 0.00 0.00 0.53 0.00 0.00 43.42 43.48 1lo5 n LEU 131 CO 0.05 1.67 0.00 0.47 -1.11 0.00 0.00 177.39 178.48 1lo5 n ASP 132 N 2.01 -1.64 0.00 1.96 8.00 -1.19 -3.77 116.55 121.92 1lo5 n ASP 132 Ca 0.22 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.72 1lo5 n ASP 132 Cb 0.37 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1lo5 n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lo5 n GLY 133 N -0.79 1.91 3.56 0.44 0.00 -1.26 -4.89 105.19 104.16 1lo5 n GLY 133 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1lo5 n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lo5 s LYS 134 N 0.00 3.27 0.51 1.61 1.02 -1.25 -4.95 119.74 119.95 1lo5 s LYS 134 Ca 0.00 -0.75 -0.18 0.00 0.02 0.00 0.00 55.97 55.06 1lo5 s LYS 134 Cb 0.00 -5.11 -0.14 0.00 -0.52 0.00 0.00 37.83 32.07 1lo5 s LYS 134 CO 0.00 -2.49 0.05 0.94 -0.92 0.00 0.00 175.35 172.93 1lo5 n GLN 135 N 8.95 0.13 -4.14 1.68 7.27 -1.26 -2.81 117.38 127.20 1lo5 n GLN 135 Ca 0.30 0.05 -0.11 0.00 0.07 0.00 0.00 57.00 57.31 1lo5 n GLN 135 Cb 0.50 -1.17 -0.10 0.00 2.41 0.00 0.00 30.24 31.88 1lo5 n GLN 135 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1lo5 s ASN 136 N -1.04 1.06 -0.53 1.69 0.02 -1.20 -4.83 114.94 110.12 1lo5 s ASN 136 Ca 0.60 -0.87 -0.19 0.00 -1.02 0.00 0.00 52.86 51.38 1lo5 s ASN 136 Cb -0.50 0.08 0.07 0.00 0.02 0.00 0.00 41.25 40.92 1lo5 s ASN 136 CO 0.63 -0.39 0.65 -0.89 0.02 0.00 0.00 177.10 177.12 1lo5 s THR 137 N -2.96 4.85 -0.29 1.60 2.01 -1.26 -4.38 115.64 115.22 1lo5 s THR 137 Ca 0.05 -0.62 -0.10 0.00 0.31 0.00 0.00 61.69 61.34 1lo5 s THR 137 Cb 0.01 -4.36 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 1lo5 s THR 137 CO -0.03 -0.90 0.14 -0.69 -0.69 0.00 0.00 174.62 172.45 1lo5 s VAL 138 N 2.67 4.77 0.48 3.82 1.01 -1.26 -5.08 120.40 126.81 1lo5 s VAL 138 Ca 0.14 -0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 1lo5 s VAL 138 Cb -0.20 -3.33 -0.12 0.00 0.00 0.00 0.00 36.38 32.72 1lo5 s VAL 138 CO 0.10 0.20 0.30 -0.81 0.00 0.00 0.00 175.10 174.89 1lo5 n PRO 139 N 5.00 0.33 0.13 2.72 -0.04 -1.26 -4.71 135.00 137.16 1lo5 n PRO 139 Ca -0.14 0.12 0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1lo5 n PRO 139 Cb 0.51 -1.36 0.34 0.00 -0.04 0.00 0.00 33.50 32.95 1lo5 n PRO 139 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1lo5 h LEU 140 N 0.36 0.18 -1.70 1.53 3.38 -1.97 -2.87 115.31 114.22 1lo5 h LEU 140 Ca -0.42 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 1lo5 h LEU 140 Cb 1.42 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 1lo5 h LEU 140 CO 0.47 0.44 -0.11 -0.33 0.09 0.00 0.00 178.44 179.00 1lo5 h GLU 141 N 0.17 0.00 -0.79 1.13 3.07 -1.91 -3.34 114.58 112.91 1lo5 h GLU 141 Ca 0.03 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.97 1lo5 h GLU 141 Cb 0.54 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.35 1lo5 h GLU 141 CO 0.04 0.11 -0.42 2.41 -1.40 0.00 0.00 179.01 179.75 1lo5 n THR 142 N -3.38 -0.50 -4.02 1.13 -1.04 -1.08 -3.84 114.28 101.55 1lo5 n THR 142 Ca -0.01 1.89 -0.32 0.00 -2.04 0.00 0.00 64.05 63.58 1lo5 n THR 142 Cb 0.29 -2.39 -0.15 0.00 -1.82 0.00 0.00 70.33 66.26 1lo5 n THR 142 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1lo5 s VAL 143 N -5.50 2.33 0.34 12.58 1.01 -1.25 -4.78 120.40 125.12 1lo5 s VAL 143 Ca -0.10 -2.03 0.07 0.00 0.00 0.00 0.00 61.98 59.93 1lo5 s VAL 143 Cb 0.11 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1lo5 s VAL 143 CO 0.51 -0.37 0.29 -0.54 0.00 0.00 0.00 175.10 174.99 1lo5 s LYS 144 N 1.00 2.69 -0.30 2.72 1.02 -1.25 0.20 119.74 125.83 1lo5 s LYS 144 Ca 0.03 -1.32 -0.16 0.00 0.02 0.00 0.00 55.97 54.54 1lo5 s LYS 144 Cb -0.20 -2.45 0.19 0.00 -0.52 0.00 0.00 37.83 34.85 1lo5 s LYS 144 CO -0.06 0.08 1.16 -0.08 -0.92 0.00 0.00 175.35 175.53 1lo5 s THR 145 N -2.32 -0.01 -0.74 2.17 -1.32 -0.65 -4.90 115.64 107.87 1lo5 s THR 145 Ca 0.41 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 61.12 1lo5 s THR 145 Cb -0.05 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.85 1lo5 s THR 145 CO 0.26 0.00 1.12 0.59 -2.21 0.00 0.00 174.62 174.38 1lo5 n ASN 146 N 3.34 0.64 -4.84 8.08 4.13 -1.26 -2.12 115.26 123.23 1lo5 n ASN 146 Ca -0.17 -0.29 -0.32 0.00 1.68 0.00 0.00 54.58 55.48 1lo5 n ASN 146 Cb 0.57 0.65 -0.00 0.00 -1.54 0.00 0.00 39.78 39.45 1lo5 n ASN 146 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1lo5 s LYS 147 N -3.13 3.63 -0.11 3.52 1.02 -1.26 -1.09 119.74 122.33 1lo5 s LYS 147 Ca 0.06 0.93 -0.03 0.00 0.02 0.00 0.00 55.97 56.95 1lo5 s LYS 147 Cb 0.15 -2.09 -0.01 0.00 -0.52 0.00 0.00 37.83 35.36 1lo5 s LYS 147 CO 0.78 -0.54 -0.06 -0.22 -0.92 0.00 0.00 175.35 174.39 1lo5 h LYS 148 N 0.28 0.00 -5.17 1.68 3.64 -1.35 -3.40 116.57 112.26 1lo5 h LYS 148 Ca -0.46 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.26 1lo5 h LYS 148 Cb 1.19 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.85 1lo5 h LYS 148 CO 0.60 0.00 0.65 -0.80 -2.27 0.00 0.00 179.45 177.63 1lo5 s ASN 149 N -5.52 6.40 0.37 4.20 0.01 -1.26 0.22 114.94 119.36 1lo5 s ASN 149 Ca -0.05 -1.55 -0.06 0.00 -0.71 0.00 0.00 52.86 50.49 1lo5 s ASN 149 Cb 0.01 -2.40 -0.05 0.00 0.41 0.00 0.00 41.25 39.22 1lo5 s ASN 149 CO 0.08 -1.23 0.66 0.54 -1.51 0.00 0.00 177.10 175.64 1lo5 s VAL 150 N 3.26 4.95 0.14 1.60 0.11 0.57 -4.81 120.40 126.22 1lo5 s VAL 150 Ca 0.26 0.17 -0.20 0.00 -2.93 0.00 0.00 61.98 59.28 1lo5 s VAL 150 Cb -0.12 -3.78 -0.07 0.00 -1.53 0.00 0.00 36.38 30.88 1lo5 s VAL 150 CO 0.00 -0.52 0.65 0.42 -3.33 0.00 0.00 175.10 172.32 1lo5 s THR 151 N -2.33 4.64 0.47 5.04 -4.23 -1.26 -0.25 115.64 117.72 1lo5 s THR 151 Ca 0.46 1.26 0.23 0.00 -1.18 0.00 0.00 61.69 62.46 1lo5 s THR 151 Cb -0.10 -3.91 0.41 0.00 1.34 0.00 0.00 72.50 70.24 1lo5 s THR 151 CO 0.34 0.41 1.88 0.58 -0.54 0.00 0.00 174.62 177.29 1lo5 h VAL 152 N 3.16 0.65 -0.20 2.29 2.07 -1.05 -2.06 116.25 121.12 1lo5 h VAL 152 Ca -0.49 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1lo5 h VAL 152 Cb 1.20 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1lo5 h VAL 152 CO 0.65 0.04 0.10 -0.61 0.02 0.00 0.00 177.57 177.77 1lo5 h GLN 153 N 0.23 0.28 -0.25 1.57 4.15 -1.91 -2.42 115.11 116.77 1lo5 h GLN 153 Ca 0.43 -0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.88 1lo5 h GLN 153 Cb 1.31 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.94 1lo5 h GLN 153 CO -0.10 0.29 0.18 1.49 -1.93 0.00 0.00 178.83 178.75 1lo5 h GLU 154 N 0.20 0.01 0.00 1.69 4.81 -1.50 0.11 114.58 119.90 1lo5 h GLU 154 Ca 0.07 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1lo5 h GLU 154 Cb 0.09 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1lo5 h GLU 154 CO -0.01 0.01 -0.30 -0.07 -0.73 0.00 0.00 179.01 177.91 1lo5 h LEU 155 N 0.01 0.00 -0.03 1.64 3.38 -1.54 -3.35 115.31 115.41 1lo5 h LEU 155 Ca 0.12 -0.76 0.03 0.00 0.09 0.00 0.00 57.88 57.35 1lo5 h LEU 155 Cb 0.46 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1lo5 h LEU 155 CO -0.00 1.05 -0.14 -0.78 0.09 0.00 0.00 178.44 178.66 1lo5 h ASP 156 N -1.00 -0.42 -1.08 -0.43 3.58 -1.00 -0.50 116.42 115.57 1lo5 h ASP 156 Ca -0.08 0.07 0.31 0.00 0.42 0.00 0.00 57.03 57.75 1lo5 h ASP 156 Cb 0.96 0.18 -0.04 0.00 1.72 0.00 0.00 39.33 42.15 1lo5 h ASP 156 CO -0.05 -0.19 0.91 -0.07 -2.88 0.00 0.00 179.24 176.96 1lo5 h LEU 157 N -0.22 0.00 0.00 2.28 3.38 -0.97 0.12 115.31 119.90 1lo5 h LEU 157 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1lo5 h LEU 157 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1lo5 h LEU 157 CO -0.16 0.00 -0.09 1.56 0.09 0.00 0.00 178.44 179.84 1lo5 h GLN 158 N 0.00 0.00 -0.91 1.13 4.20 -1.25 -3.23 115.11 115.05 1lo5 h GLN 158 Ca 0.52 0.00 0.16 0.00 0.06 0.00 0.00 58.65 59.38 1lo5 h GLN 158 Cb 2.33 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 30.02 1lo5 h GLN 158 CO -0.01 0.06 0.50 0.00 -0.67 0.00 0.00 178.83 178.71 1lo5 h ALA 159 N -0.95 1.41 0.00 3.87 0.00 -0.53 0.72 119.26 123.78 1lo5 h ALA 159 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1lo5 h ALA 159 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1lo5 h ALA 159 CO -0.00 -0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.73 1lo5 n ARG 160 N -4.82 0.06 0.04 0.00 1.74 0.34 -0.62 116.66 113.40 1lo5 n ARG 160 Ca 0.19 0.50 0.06 0.00 -0.77 0.00 0.00 57.85 57.83 1lo5 n ARG 160 Cb 0.47 -1.68 -0.07 0.00 -1.02 0.00 0.00 32.46 30.16 1lo5 n ARG 160 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1lo5 n ARG 161 N -1.80 0.63 -0.03 5.56 0.63 0.25 -3.90 116.66 117.99 1lo5 n ARG 161 Ca 0.00 0.08 -0.12 0.00 -0.92 0.00 0.00 57.85 56.89 1lo5 n ARG 161 Cb 0.06 -1.74 -0.10 0.00 0.45 0.00 0.00 32.46 31.13 1lo5 n ARG 161 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1lo5 h TYR 162 N 0.00 -0.04 0.00 -0.14 3.20 -0.49 -2.75 116.97 116.75 1lo5 h TYR 162 Ca -0.09 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1lo5 h TYR 162 Cb 1.26 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.55 1lo5 h TYR 162 CO 0.00 0.66 0.25 -0.07 -1.64 0.00 0.00 178.16 177.35 1lo5 h LEU 163 N -0.88 0.00 0.00 2.82 3.38 -1.51 0.40 115.31 119.52 1lo5 h LEU 163 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1lo5 h LEU 163 Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1lo5 h LEU 163 CO 0.01 0.00 -0.63 -0.61 0.09 0.00 0.00 178.44 177.30 1lo5 h GLN 164 N 0.00 0.00 -0.88 1.13 -0.00 -1.67 -1.09 115.11 112.59 1lo5 h GLN 164 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.69 1lo5 h GLN 164 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.92 1lo5 h GLN 164 CO 0.00 0.73 0.57 0.93 0.00 0.00 0.00 178.83 181.06 1lo5 h GLU 165 N -1.00 1.05 0.06 1.69 5.08 -0.94 0.59 114.58 121.11 1lo5 h GLU 165 Ca -0.15 -0.06 -0.30 0.00 -1.00 0.00 0.00 59.36 57.84 1lo5 h GLU 165 Cb 0.94 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1lo5 h GLU 165 CO -0.09 0.70 -1.64 1.17 -1.00 0.00 0.00 179.01 178.15 1lo5 n LYS 166 N -4.55 0.66 -0.15 2.33 0.00 0.13 -4.65 118.16 111.93 1lo5 n LYS 166 Ca 0.11 0.42 0.06 0.00 0.00 0.00 0.00 58.31 58.90 1lo5 n LYS 166 Cb 0.11 -1.73 0.13 0.00 0.00 0.00 0.00 35.03 33.54 1lo5 n LYS 166 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1lo5 n TYR 167 N -3.97 0.29 -4.09 5.64 4.02 -0.47 -5.01 117.16 113.57 1lo5 n TYR 167 Ca -0.32 -0.74 -0.45 0.00 -0.01 0.00 0.00 57.90 56.38 1lo5 n TYR 167 Cb 0.86 -0.13 0.01 0.00 -0.02 0.00 0.00 39.34 40.06 1lo5 n TYR 167 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1lo5 n ASN 168 N -0.60 -3.68 -0.24 7.72 3.02 0.20 -4.70 115.26 116.97 1lo5 n ASN 168 Ca 0.12 -1.30 -0.05 0.00 -0.03 0.00 0.00 54.58 53.32 1lo5 n ASN 168 Cb 0.54 -1.70 0.06 0.00 -0.61 0.00 0.00 39.78 38.07 1lo5 n ASN 168 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1lo5 h LEU 169 N -2.57 0.77 -2.03 3.41 5.85 -1.60 -3.18 115.31 115.96 1lo5 h LEU 169 Ca -0.71 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 57.99 1lo5 h LEU 169 Cb 1.41 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1lo5 h LEU 169 CO 0.54 0.55 0.00 -1.22 -0.34 0.00 0.00 178.44 177.97 1lo5 n TYR 170 N -4.62 0.19 -2.50 1.25 4.01 -1.26 -4.92 117.16 109.30 1lo5 n TYR 170 Ca 0.06 -0.11 -0.40 0.00 -0.16 0.00 0.00 57.90 57.29 1lo5 n TYR 170 Cb 0.03 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.02 1lo5 n TYR 170 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1lo5 s ASN 171 N -1.61 7.30 1.09 7.72 -0.87 -1.20 -4.52 114.94 122.85 1lo5 s ASN 171 Ca 0.29 2.23 -0.18 0.00 -1.57 0.00 0.00 52.86 53.63 1lo5 s ASN 171 Cb 0.19 -2.62 0.09 0.00 -0.02 0.00 0.00 41.25 38.89 1lo5 s ASN 171 CO 0.27 -0.12 0.06 -1.54 -2.57 0.00 0.00 177.10 173.21 1lo5 n SER 172 N 1.31 -2.34 -0.01 -1.22 3.41 -1.26 -4.08 113.62 109.43 1lo5 n SER 172 Ca -0.01 -0.04 0.01 0.00 -0.26 0.00 0.00 58.87 58.57 1lo5 n SER 172 Cb 0.45 -1.00 0.32 0.00 -0.26 0.00 0.00 64.21 63.73 1lo5 n SER 172 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1lo5 h ASP 173 N -1.97 0.50 0.32 4.04 3.32 -1.92 -2.65 116.42 118.05 1lo5 h ASP 173 Ca -0.52 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.44 1lo5 h ASP 173 Cb 1.35 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1lo5 h ASP 173 CO 0.38 0.51 -0.15 0.58 -1.72 0.00 0.00 179.24 178.83 1lo5 h VAL 174 N 0.53 0.00 0.00 -1.35 2.07 -1.97 -2.68 116.25 112.85 1lo5 h VAL 174 Ca 0.12 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 1lo5 h VAL 174 Cb 0.23 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1lo5 h VAL 174 CO -0.00 0.00 0.05 0.49 0.02 0.00 0.00 177.57 178.13 1lo5 n PHE 175 N -3.23 0.00 -2.04 1.57 3.72 -1.16 -4.72 117.46 111.59 1lo5 n PHE 175 Ca -0.05 -0.39 0.00 0.00 -0.05 0.00 0.00 57.45 56.96 1lo5 n PHE 175 Cb 0.17 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.25 1lo5 n PHE 175 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1lo5 n ASP 176 N 2.08 -4.81 -2.68 4.37 10.43 -1.01 -4.60 116.55 120.33 1lo5 n ASP 176 Ca 0.04 0.65 -0.09 0.00 2.57 0.00 0.00 54.79 57.96 1lo5 n ASP 176 Cb 0.21 -1.04 0.03 0.00 1.84 0.00 0.00 41.12 42.16 1lo5 n ASP 176 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1lo5 n GLY 177 N 2.03 1.57 0.11 0.44 0.00 -1.01 -4.81 105.19 103.52 1lo5 n GLY 177 Ca 0.00 -1.22 0.03 0.00 0.00 0.00 0.00 46.02 44.83 1lo5 n GLY 177 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lo5 n LYS 178 N -0.08 -0.03 -1.66 1.61 5.02 -1.26 -4.45 118.16 117.31 1lo5 n LYS 178 Ca 0.09 0.49 -0.49 0.00 -2.02 0.00 0.00 58.31 56.37 1lo5 n LYS 178 Cb 0.82 -0.75 -0.05 0.00 -0.02 0.00 0.00 35.03 35.03 1lo5 n LYS 178 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1lo5 n VAL 179 N -4.40 0.50 -0.01 -0.18 0.31 -1.26 -4.58 118.33 108.70 1lo5 n VAL 179 Ca 0.06 -0.14 0.03 0.00 -0.01 0.00 0.00 64.34 64.29 1lo5 n VAL 179 Cb 0.19 -1.83 -0.13 0.00 -0.91 0.00 0.00 33.84 31.16 1lo5 n VAL 179 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1lo5 n GLN 180 N 6.83 0.65 -4.13 5.55 1.13 0.64 -4.92 117.38 123.13 1lo5 n GLN 180 Ca 0.25 -0.03 -0.14 0.00 -1.94 0.00 0.00 57.00 55.15 1lo5 n GLN 180 Cb 0.28 -1.61 -0.07 0.00 0.11 0.00 0.00 30.24 28.95 1lo5 n GLN 180 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1lo5 s ARG 181 N -3.11 1.64 0.00 -1.09 0.52 -0.21 -1.39 118.95 115.30 1lo5 s ARG 181 Ca -0.07 -1.67 0.00 0.00 -0.52 0.00 0.00 55.73 53.47 1lo5 s ARG 181 Cb 0.10 0.38 0.00 0.00 0.52 0.00 0.00 34.95 35.96 1lo5 s ARG 181 CO 0.86 -0.64 0.00 0.41 0.02 0.00 0.00 175.30 175.95 1lo5 n GLY 182 N -0.47 2.30 3.64 -3.53 0.00 -1.26 -1.10 105.19 104.78 1lo5 n GLY 182 Ca 0.02 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1lo5 n GLY 182 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1lo5 s LEU 183 N 0.00 2.49 -0.25 0.99 2.96 0.21 -0.25 118.68 124.84 1lo5 s LEU 183 Ca 0.00 -1.51 -0.07 0.00 -0.22 0.00 0.00 54.13 52.33 1lo5 s LEU 183 Cb 0.00 -0.70 0.12 0.00 0.50 0.00 0.00 46.19 46.10 1lo5 s LEU 183 CO 0.00 -0.67 0.51 -0.51 -1.32 0.00 0.00 176.35 174.37 1lo5 s ILE 184 N -2.89 -0.80 -0.17 6.68 2.07 -1.14 -3.10 121.20 121.85 1lo5 s ILE 184 Ca 0.23 0.07 -0.05 0.00 -1.41 0.00 0.00 60.65 59.50 1lo5 s ILE 184 Cb 0.06 -0.83 -0.03 0.00 0.13 0.00 0.00 42.46 41.79 1lo5 s ILE 184 CO 0.12 0.02 -0.01 -0.69 -1.91 0.00 0.00 174.94 172.47 1lo5 s VAL 185 N 2.73 4.13 -0.46 4.00 1.01 -0.34 -1.49 120.40 129.97 1lo5 s VAL 185 Ca 0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 1lo5 s VAL 185 Cb -0.13 -2.83 0.05 0.00 0.00 0.00 0.00 36.38 33.48 1lo5 s VAL 185 CO -0.16 0.47 0.41 -0.36 0.00 0.00 0.00 175.10 175.47 1lo5 s PHE 186 N 0.46 3.21 -0.55 5.22 0.40 -0.16 -1.48 117.98 125.08 1lo5 s PHE 186 Ca -0.02 -0.75 -0.25 0.00 -0.60 0.00 0.00 56.93 55.31 1lo5 s PHE 186 Cb -0.14 -3.07 0.04 0.00 0.51 0.00 0.00 43.02 40.36 1lo5 s PHE 186 CO 0.02 -0.78 0.97 -1.01 0.70 0.00 0.00 175.22 175.12 1lo5 s HIS 187 N 1.83 2.78 0.10 0.36 3.76 0.12 -2.89 115.29 121.35 1lo5 s HIS 187 Ca 0.06 0.07 0.08 0.00 -0.15 0.00 0.00 55.06 55.12 1lo5 s HIS 187 Cb -0.22 -4.12 -0.04 0.00 1.11 0.00 0.00 32.58 29.32 1lo5 s HIS 187 CO 0.09 -1.36 -0.14 0.95 -0.85 0.00 0.00 174.74 173.42 1lo5 s THR 188 N 4.05 3.07 -0.16 1.30 -4.23 -1.26 -1.30 115.64 117.11 1lo5 s THR 188 Ca 0.32 -1.37 -0.17 0.00 -1.18 0.00 0.00 61.69 59.29 1lo5 s THR 188 Cb -0.12 -2.41 -0.13 0.00 1.34 0.00 0.00 72.50 71.17 1lo5 s THR 188 CO 0.20 0.13 0.20 0.77 -0.54 0.00 0.00 174.62 175.38 1lo5 h SER 189 N 3.75 0.00 -0.13 3.99 4.64 -1.91 -3.40 113.55 120.49 1lo5 h SER 189 Ca -0.49 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.43 1lo5 h SER 189 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1lo5 h SER 189 CO 0.49 1.05 0.00 0.35 -0.87 0.00 0.00 176.83 177.84 1lo5 n THR 190 N -4.57 0.18 -4.16 2.95 -2.24 -1.26 -4.89 114.28 100.29 1lo5 n THR 190 Ca -0.16 -0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.30 1lo5 n THR 190 Cb 0.43 0.08 -0.09 0.00 -2.10 0.00 0.00 70.33 68.64 1lo5 n THR 190 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1lo5 s GLU 191 N -1.82 1.20 0.44 -0.78 2.02 -1.26 -5.15 118.70 113.35 1lo5 s GLU 191 Ca 0.19 -1.53 -0.25 0.00 0.02 0.00 0.00 54.97 53.40 1lo5 s GLU 191 Cb 0.10 0.30 -0.08 0.00 0.10 0.00 0.00 34.13 34.54 1lo5 s GLU 191 CO 0.14 -0.40 1.27 -2.14 0.02 0.00 0.00 175.26 174.15 1lo5 s PRO 192 N -4.12 3.80 0.33 0.39 0.02 -1.26 -4.69 135.00 129.47 1lo5 s PRO 192 Ca 0.34 2.05 -0.19 0.00 0.02 0.00 0.00 61.00 63.22 1lo5 s PRO 192 Cb 0.06 -2.59 -0.10 0.00 0.02 0.00 0.00 34.50 31.89 1lo5 s PRO 192 CO 0.10 -0.60 0.82 -1.12 -0.33 0.00 0.00 177.00 175.86 1lo5 s SER 193 N -0.95 6.94 -0.30 2.53 0.01 -1.26 -4.80 113.70 115.87 1lo5 s SER 193 Ca 0.61 1.48 -0.13 0.00 1.31 0.00 0.00 55.95 59.22 1lo5 s SER 193 Cb -0.36 -2.45 -0.03 0.00 0.21 0.00 0.00 66.02 63.39 1lo5 s SER 193 CO 0.45 -0.19 0.30 -0.69 0.41 0.00 0.00 173.24 173.51 1lo5 s VAL 194 N -1.91 5.23 -0.21 3.43 1.01 -1.14 -4.95 120.40 121.86 1lo5 s VAL 194 Ca 0.54 0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.69 1lo5 s VAL 194 Cb -0.12 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1lo5 s VAL 194 CO 0.18 0.11 0.05 0.20 0.00 0.00 0.00 175.10 175.64 1lo5 s ASN 195 N 1.71 5.31 -0.30 3.32 -0.87 -1.26 -0.99 114.94 121.86 1lo5 s ASN 195 Ca 0.11 -0.07 -0.00 0.00 -1.57 0.00 0.00 52.86 51.32 1lo5 s ASN 195 Cb -0.16 -1.92 0.09 0.00 -0.02 0.00 0.00 41.25 39.24 1lo5 s ASN 195 CO 0.11 0.08 0.08 -0.31 -2.57 0.00 0.00 177.10 174.49 1lo5 s TYR 196 N 0.91 1.88 0.17 2.20 2.02 -0.56 -5.01 117.35 118.96 1lo5 s TYR 196 Ca 0.03 -1.78 -0.34 0.00 -0.37 0.00 0.00 57.07 54.61 1lo5 s TYR 196 Cb -0.14 -1.76 -0.14 0.00 -0.40 0.00 0.00 41.96 39.52 1lo5 s TYR 196 CO 0.03 -0.86 1.50 -3.47 -1.57 0.00 0.00 175.55 171.18 1lo5 n ASP 197 N 4.80 2.76 0.05 2.29 -0.08 -1.26 -2.89 116.55 122.21 1lo5 n ASP 197 Ca -0.03 1.10 0.11 0.00 -1.51 0.00 0.00 54.79 54.46 1lo5 n ASP 197 Cb 0.43 -1.39 0.45 0.00 2.34 0.00 0.00 41.12 42.95 1lo5 n ASP 197 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1lo5 n LEU 198 N 2.99 0.28 -0.06 -2.67 4.77 0.66 -3.25 117.00 119.72 1lo5 n LEU 198 Ca 0.16 0.55 0.01 0.00 -0.03 0.00 0.00 56.01 56.70 1lo5 n LEU 198 Cb 0.28 -0.49 0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1lo5 n LEU 198 CO 0.63 -0.25 0.34 0.49 -1.33 0.00 0.00 177.39 177.27 1lo5 n PHE 199 N -1.79 0.00 -0.41 -1.77 3.72 -1.26 -4.77 117.46 111.18 1lo5 n PHE 199 Ca 0.04 -0.20 -0.14 0.00 -0.05 0.00 0.00 57.45 57.10 1lo5 n PHE 199 Cb 0.27 -0.03 0.08 0.00 -0.94 0.00 0.00 39.48 38.86 1lo5 n PHE 199 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1lo5 n GLY 200 N -0.23 3.62 3.73 1.37 0.00 -1.20 -4.68 105.19 107.80 1lo5 n GLY 200 Ca 0.01 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 1lo5 n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lo5 s ALA 201 N -1.81 3.35 0.25 4.61 0.00 -1.26 -4.94 121.76 121.95 1lo5 s ALA 201 Ca 0.31 0.20 -0.06 0.00 0.00 0.00 0.00 51.96 52.42 1lo5 s ALA 201 Cb 0.26 -2.97 -0.06 0.00 0.00 0.00 0.00 23.12 20.34 1lo5 s ALA 201 CO 0.04 -0.02 0.52 -0.65 0.00 0.00 0.00 175.76 175.64 1lo5 s GLN 202 N 0.41 3.66 0.00 0.00 -1.52 -1.26 -4.99 119.66 115.96 1lo5 s GLN 202 Ca 0.38 0.03 0.00 0.00 -1.95 0.00 0.00 55.36 53.83 1lo5 s GLN 202 Cb -0.19 -2.69 0.00 0.00 -0.22 0.00 0.00 33.01 29.91 1lo5 s GLN 202 CO 0.20 0.29 0.00 0.41 -0.25 0.00 0.00 175.29 175.94 1lo5 n GLY 203 N -0.57 -0.88 0.00 3.09 0.00 -1.26 -3.61 105.19 101.96 1lo5 n GLY 203 Ca -0.01 -1.68 0.01 0.00 0.00 0.00 0.00 46.02 44.34 1lo5 n GLY 203 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1lo5 n GLN 204 N -0.83 0.78 -3.86 1.61 6.02 -1.26 -4.83 117.38 115.00 1lo5 n GLN 204 Ca 0.00 -0.03 -0.22 0.00 -0.01 0.00 0.00 57.00 56.74 1lo5 n GLN 204 Cb 0.00 -1.08 -0.05 0.00 1.02 0.00 0.00 30.24 30.13 1lo5 n GLN 204 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1lo5 s TYR 205 N -2.21 2.71 0.46 1.08 2.02 -1.26 -3.90 117.35 116.25 1lo5 s TYR 205 Ca -0.01 -0.46 0.13 0.00 -0.37 0.00 0.00 57.07 56.36 1lo5 s TYR 205 Cb 0.02 -1.94 1.06 0.00 -0.40 0.00 0.00 41.96 40.70 1lo5 s TYR 205 CO 0.14 0.11 2.05 0.77 -1.57 0.00 0.00 175.55 177.05 1lo5 h SER 206 N 1.28 0.28 -0.44 2.29 0.02 -1.92 -1.58 113.55 113.47 1lo5 h SER 206 Ca -0.43 -0.00 0.13 0.00 -0.84 0.00 0.00 61.79 60.65 1lo5 h SER 206 Cb 1.26 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 1lo5 h SER 206 CO 0.62 0.19 0.34 -0.55 -1.14 0.00 0.00 176.83 176.29 1lo5 h ASN 207 N 0.32 0.00 0.00 3.07 -1.07 -1.96 -0.57 115.58 115.37 1lo5 h ASN 207 Ca 0.16 0.00 -0.25 0.00 0.07 0.00 0.00 56.30 56.28 1lo5 h ASN 207 Cb 0.23 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.43 1lo5 h ASN 207 CO -0.03 0.00 -1.96 0.35 0.07 0.00 0.00 177.43 175.85 1lo5 n THR 208 N -4.27 0.97 0.33 6.14 -2.24 -1.00 -4.23 114.28 109.97 1lo5 n THR 208 Ca 0.08 -0.48 0.21 0.00 -2.27 0.00 0.00 64.05 61.58 1lo5 n THR 208 Cb 0.54 -0.88 1.10 0.00 -2.10 0.00 0.00 70.33 68.98 1lo5 n THR 208 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1lo5 h LEU 209 N 0.00 0.00 -0.08 3.22 3.38 -0.97 -0.98 115.31 119.88 1lo5 h LEU 209 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1lo5 h LEU 209 Cb 1.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1lo5 h LEU 209 CO -0.02 0.00 -0.70 0.18 0.09 0.00 0.00 178.44 177.99 1lo5 n LEU 210 N -2.97 0.81 -0.29 1.67 4.77 -0.25 -4.54 117.00 116.20 1lo5 n LEU 210 Ca -0.03 -0.52 0.22 0.00 -0.03 0.00 0.00 56.01 55.65 1lo5 n LEU 210 Cb 0.13 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.75 1lo5 n LEU 210 CO 0.18 0.20 1.23 0.03 -1.33 0.00 0.00 177.39 177.69 1lo5 h ARG 211 N 0.16 0.36 -1.27 3.23 3.08 -1.34 -0.92 114.38 117.67 1lo5 h ARG 211 Ca 0.00 -0.02 0.38 0.00 0.07 0.00 0.00 59.98 60.40 1lo5 h ARG 211 Cb 0.38 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.26 1lo5 h ARG 211 CO 0.00 0.24 0.86 -0.84 -1.07 0.00 0.00 179.97 179.16 1lo5 h ILE 212 N 0.37 0.30 -0.36 2.04 -2.65 -1.80 0.75 117.51 116.16 1lo5 h ILE 212 Ca 0.53 -0.05 0.00 0.00 1.03 0.00 0.00 64.86 66.37 1lo5 h ILE 212 Cb 1.40 0.14 0.00 0.00 -2.05 0.00 0.00 36.82 36.31 1lo5 h ILE 212 CO -0.22 0.03 0.00 -1.22 0.03 0.00 0.00 178.15 176.77 1lo5 n TYR 213 N -4.46 0.50 0.22 0.16 4.01 -0.35 -4.38 117.16 112.86 1lo5 n TYR 213 Ca 0.31 -0.25 0.09 0.00 -0.16 0.00 0.00 57.90 57.90 1lo5 n TYR 213 Cb 1.28 -0.01 0.44 0.00 -0.31 0.00 0.00 39.34 40.74 1lo5 n TYR 213 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1lo5 h ARG 214 N 2.14 0.00 0.00 -0.72 2.43 0.40 -2.28 114.38 116.35 1lo5 h ARG 214 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1lo5 h ARG 214 Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1lo5 h ARG 214 CO 0.01 0.25 0.00 -0.40 -1.51 0.00 0.00 179.97 178.32 1lo5 n ASP 215 N -3.43 0.51 -3.38 -3.80 5.68 -1.26 -3.04 116.55 107.83 1lo5 n ASP 215 Ca 0.00 0.56 -0.12 0.00 -0.50 0.00 0.00 54.79 54.73 1lo5 n ASP 215 Cb 0.44 -0.69 0.01 0.00 -1.14 0.00 0.00 41.12 39.74 1lo5 n ASP 215 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1lo5 n ASN 216 N -1.99 -6.52 -4.75 -1.12 5.15 -0.86 -4.89 115.26 100.29 1lo5 n ASN 216 Ca 0.06 -0.49 -0.40 0.00 -0.60 0.00 0.00 54.58 53.14 1lo5 n ASN 216 Cb 0.37 -3.89 -0.05 0.00 -0.53 0.00 0.00 39.78 35.68 1lo5 n ASN 216 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1lo5 s LYS 217 N -4.01 4.65 -0.18 1.20 2.20 -1.26 -4.94 119.74 117.40 1lo5 s LYS 217 Ca 0.07 1.31 -0.01 0.00 -0.36 0.00 0.00 55.97 56.97 1lo5 s LYS 217 Cb -0.02 -3.33 0.05 0.00 -1.51 0.00 0.00 37.83 33.02 1lo5 s LYS 217 CO 0.81 0.35 -0.01 0.99 -0.36 0.00 0.00 175.35 177.14 1lo5 s THR 218 N -0.44 0.85 0.33 3.43 2.01 -1.26 -0.34 115.64 120.21 1lo5 s THR 218 Ca 0.42 -0.64 0.07 0.00 0.31 0.00 0.00 61.69 61.84 1lo5 s THR 218 Cb -0.23 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.06 1lo5 s THR 218 CO 0.28 -0.07 0.32 0.27 -0.69 0.00 0.00 174.62 174.73 1lo5 s ILE 219 N 1.72 3.75 -0.15 1.82 -0.00 0.66 -4.87 121.20 124.13 1lo5 s ILE 219 Ca -0.01 -1.29 -0.29 0.00 -0.00 0.00 0.00 60.65 59.06 1lo5 s ILE 219 Cb -0.17 -3.26 -0.01 0.00 -0.00 0.00 0.00 42.46 39.02 1lo5 s ILE 219 CO -0.07 -0.19 1.16 0.21 -0.00 0.00 0.00 174.94 176.05 1lo5 s ASN 220 N -4.02 7.05 0.07 4.36 3.84 -1.26 -0.31 114.94 124.66 1lo5 s ASN 220 Ca 0.41 1.61 -0.34 0.00 0.21 0.00 0.00 52.86 54.75 1lo5 s ASN 220 Cb -0.07 -2.54 -0.19 0.00 -0.55 0.00 0.00 41.25 37.90 1lo5 s ASN 220 CO 0.27 -0.66 1.61 0.77 -2.79 0.00 0.00 177.10 176.30 1lo5 h SER 221 N 7.71 -0.91 -4.20 -4.21 4.64 0.24 -3.43 113.55 113.39 1lo5 h SER 221 Ca -0.27 0.04 -0.52 0.00 -0.47 0.00 0.00 61.79 60.57 1lo5 h SER 221 Cb 1.11 0.25 0.14 0.00 -0.31 0.00 0.00 62.40 63.59 1lo5 h SER 221 CO 0.94 -0.62 0.36 -1.61 -0.87 0.00 0.00 176.83 175.04 1lo5 s GLU 222 N -6.03 2.21 0.00 4.77 2.02 -1.26 -2.99 118.70 117.42 1lo5 s GLU 222 Ca -0.18 1.59 0.00 0.00 0.02 0.00 0.00 54.97 56.40 1lo5 s GLU 222 Cb 0.03 -1.86 0.00 0.00 0.10 0.00 0.00 34.13 32.40 1lo5 s GLU 222 CO 0.62 -1.75 0.00 0.09 0.02 0.00 0.00 175.26 174.24 1lo5 n ASN 223 N -2.87 0.00 -4.03 -0.19 3.02 -1.26 -4.92 115.26 105.01 1lo5 n ASN 223 Ca 0.12 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.37 1lo5 n ASN 223 Cb 0.51 -0.17 0.21 0.00 -0.61 0.00 0.00 39.78 39.73 1lo5 n ASN 223 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lo5 s MET 224 N 0.00 -0.46 0.01 3.52 0.23 -1.16 -4.83 119.30 116.61 1lo5 s MET 224 Ca 0.00 -0.09 -0.29 0.00 -1.03 0.00 0.00 55.69 54.29 1lo5 s MET 224 Cb 0.00 -1.69 0.10 0.00 -1.53 0.00 0.00 34.83 31.71 1lo5 s MET 224 CO 0.00 -3.20 1.02 -3.38 -2.03 0.00 0.00 175.02 167.43 1lo5 s HIS 225 N -3.25 -0.20 0.26 3.16 -3.43 -0.42 -4.53 115.29 106.89 1lo5 s HIS 225 Ca 0.71 0.03 0.08 0.00 -0.80 0.00 0.00 55.06 55.08 1lo5 s HIS 225 Cb -0.09 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 31.58 1lo5 s HIS 225 CO 0.55 -0.53 0.10 0.42 -2.00 0.00 0.00 174.74 173.27 1lo5 s ILE 226 N -2.95 3.91 -0.06 -5.38 -1.09 0.33 0.12 121.20 116.08 1lo5 s ILE 226 Ca 0.09 -1.66 -0.02 0.00 -2.23 0.00 0.00 60.65 56.83 1lo5 s ILE 226 Cb -0.00 -3.11 0.04 0.00 -1.58 0.00 0.00 42.46 37.80 1lo5 s ILE 226 CO -0.04 -0.36 0.13 0.00 -1.23 0.00 0.00 174.94 173.44 1lo5 s ALA 227 N -2.24 -0.21 -0.03 9.38 0.00 -0.55 -1.07 121.76 127.05 1lo5 s ALA 227 Ca 0.32 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.92 1lo5 s ALA 227 Cb -0.07 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.64 1lo5 s ALA 227 CO 0.22 -0.15 -0.07 0.42 0.00 0.00 0.00 175.76 176.19 1lo5 s ILE 228 N 1.15 0.64 -0.09 0.00 1.01 0.32 -1.19 121.20 123.03 1lo5 s ILE 228 Ca -0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 60.65 60.29 1lo5 s ILE 228 Cb -0.12 -0.59 0.02 0.00 0.01 0.00 0.00 42.46 41.79 1lo5 s ILE 228 CO -0.05 0.21 -0.05 -0.31 0.00 0.00 0.00 174.94 174.74 1lo5 s TYR 229 N 0.32 1.15 0.20 3.97 2.02 -1.18 -0.41 117.35 123.43 1lo5 s TYR 229 Ca -0.05 -0.49 0.11 0.00 -0.37 0.00 0.00 57.07 56.28 1lo5 s TYR 229 Cb -0.09 -1.02 -0.04 0.00 -0.40 0.00 0.00 41.96 40.41 1lo5 s TYR 229 CO 0.00 -0.40 -0.20 -0.51 -1.57 0.00 0.00 175.55 172.88 1lo5 s LEU 230 N 1.58 2.58 -0.02 -1.29 1.43 -0.44 0.68 118.68 123.21 1lo5 s LEU 230 Ca 0.01 -0.82 0.01 0.00 -1.03 0.00 0.00 54.13 52.30 1lo5 s LEU 230 Cb -0.13 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 44.83 1lo5 s LEU 230 CO -0.05 0.10 -0.03 -0.31 0.23 0.00 0.00 176.35 176.29 1lo5 s TYR 231 N -1.80 0.41 -1.55 0.29 2.02 -0.26 -3.20 117.35 113.25 1lo5 s TYR 231 Ca 0.23 -0.07 0.25 0.00 -0.37 0.00 0.00 57.07 57.11 1lo5 s TYR 231 Cb -0.08 -0.35 0.51 0.00 -0.40 0.00 0.00 41.96 41.64 1lo5 s TYR 231 CO 0.12 -0.07 1.41 0.25 -1.57 0.00 0.00 175.55 175.69 1lo5 n THR 232 N 3.48 0.00 1.40 -0.71 -2.24 -1.26 -0.26 114.28 114.68 1lo5 n THR 232 Ca -0.19 -0.10 0.14 0.00 -2.27 0.00 0.00 64.05 61.62 1lo5 n THR 232 Cb 0.55 0.53 0.44 0.00 -2.10 0.00 0.00 70.33 69.74 1lo5 n THR 232 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30