#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3it6 s THR 8 N 0.00 3.68 -0.22 1.09 2.01 -1.26 -4.70 115.64 116.23 3it6 s THR 8 Ca 0.00 0.59 -0.08 0.00 0.31 0.00 0.00 61.69 62.52 3it6 s THR 8 Cb 0.00 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 3it6 s THR 8 CO 0.00 -0.95 0.08 0.00 -0.69 0.00 0.00 174.62 173.06 3it6 s ARG 9 N 5.72 3.82 -0.29 4.92 1.70 -1.17 -4.99 118.95 128.66 3it6 s ARG 9 Ca 0.60 -0.41 -0.15 0.00 -0.47 0.00 0.00 55.73 55.31 3it6 s ARG 9 Cb -0.13 -3.30 -0.03 0.00 -0.57 0.00 0.00 34.95 30.92 3it6 s ARG 9 CO 0.27 0.02 0.37 -1.17 -1.08 0.00 0.00 175.30 173.71 3it6 s LEU 10 N 1.06 4.16 -0.09 -1.89 2.96 -1.26 -2.30 118.68 121.32 3it6 s LEU 10 Ca 0.04 0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 3it6 s LEU 10 Cb -0.14 -2.40 0.01 0.00 0.50 0.00 0.00 46.19 44.17 3it6 s LEU 10 CO 0.03 -0.23 -0.14 -0.76 -1.32 0.00 0.00 176.35 173.92 3it6 s LEU 11 N 2.06 1.70 0.86 -0.68 1.43 0.25 -4.96 118.68 119.34 3it6 s LEU 11 Ca 0.14 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 3it6 s LEU 11 Cb -0.16 -1.00 0.14 0.00 0.03 0.00 0.00 46.19 45.20 3it6 s LEU 11 CO 0.11 0.03 1.21 -0.13 0.23 0.00 0.00 176.35 177.80 3it6 s ARG 12 N 0.81 1.35 0.00 1.70 0.52 -1.26 -1.02 118.95 121.05 3it6 s ARG 12 Ca -0.11 -0.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 3it6 s ARG 12 Cb -0.16 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.35 3it6 s ARG 12 CO 0.02 -1.92 0.00 0.00 0.02 0.00 0.00 175.30 173.42 3it6 n ALA 13 N -3.43 0.00 -3.28 2.13 0.00 -1.24 -4.92 120.51 109.77 3it6 n ALA 13 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 3it6 n ALA 13 Cb 0.60 -1.11 -0.15 0.00 0.00 0.00 0.00 19.45 18.80 3it6 n ALA 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3it6 s GLN 14 N -1.24 3.33 0.00 0.00 -0.21 -1.26 -4.96 119.66 115.32 3it6 s GLN 14 Ca 0.00 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 54.68 3it6 s GLN 14 Cb 0.00 -2.69 0.00 0.00 1.00 0.00 0.00 33.01 31.32 3it6 s GLN 14 CO 0.00 0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.66 3it6 n GLY 15 N 3.90 3.63 0.24 3.09 0.00 -1.26 -2.04 105.19 112.75 3it6 n GLY 15 Ca -0.18 -1.28 0.13 0.00 0.00 0.00 0.00 46.02 44.69 3it6 n GLY 15 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3it6 h VAL 16 N 0.00 0.29 -0.01 1.61 -1.51 -1.83 -2.96 116.25 111.84 3it6 h VAL 16 Ca 0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.55 3it6 h VAL 16 Cb 0.00 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 3it6 h VAL 16 CO 0.00 0.12 -0.10 0.35 -1.23 0.00 0.00 177.57 176.71 3it6 n THR 17 N -3.23 0.00 -0.17 7.19 -2.24 -1.26 -4.12 114.28 110.44 3it6 n THR 17 Ca 0.01 -0.09 -0.09 0.00 -2.27 0.00 0.00 64.05 61.61 3it6 n THR 17 Cb 0.41 0.01 0.01 0.00 -2.10 0.00 0.00 70.33 68.66 3it6 n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3it6 h ALA 18 N 3.77 0.65 -2.45 6.98 0.00 -1.82 -3.44 119.26 122.94 3it6 h ALA 18 Ca 0.00 -0.18 -0.46 0.00 0.00 0.00 0.00 54.91 54.27 3it6 h ALA 18 Cb 0.36 -0.19 0.13 0.00 0.00 0.00 0.00 17.79 18.08 3it6 h ALA 18 CO 0.00 0.31 0.36 -2.14 0.00 0.00 0.00 179.25 177.77 3it6 s PRO 19 N -5.40 1.31 0.40 0.00 0.02 -1.26 -4.98 135.00 125.09 3it6 s PRO 19 Ca -0.13 0.09 -0.07 0.00 0.02 0.00 0.00 61.00 60.91 3it6 s PRO 19 Cb 0.11 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.71 3it6 s PRO 19 CO 0.78 -2.04 0.72 0.00 -0.33 0.00 0.00 177.00 176.13 3it6 s ALA 20 N -3.49 3.44 -0.16 -1.55 0.00 -1.26 -4.37 121.76 114.36 3it6 s ALA 20 Ca 0.65 -0.40 -0.00 0.00 0.00 0.00 0.00 51.96 52.21 3it6 s ALA 20 Cb -0.11 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.45 3it6 s ALA 20 CO 0.52 -0.06 0.04 0.41 0.00 0.00 0.00 175.76 176.67 3it6 n GLY 21 N -1.53 0.46 3.01 0.00 0.00 -1.26 -5.00 105.19 100.88 3it6 n GLY 21 Ca 0.01 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 3it6 n GLY 21 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3it6 s PHE 22 N -2.42 -0.29 0.22 1.61 0.08 -1.26 -0.93 117.98 114.99 3it6 s PHE 22 Ca 0.02 0.72 0.07 0.00 0.12 0.00 0.00 56.93 57.86 3it6 s PHE 22 Cb -0.01 0.00 -0.04 0.00 -0.57 0.00 0.00 43.02 42.40 3it6 s PHE 22 CO 0.02 -0.23 0.08 1.03 -0.10 0.00 0.00 175.22 176.03 3it6 s ARG 23 N 1.35 2.62 0.07 0.44 0.52 -0.28 -4.29 118.95 119.37 3it6 s ARG 23 Ca -0.08 -1.12 -0.24 0.00 -0.52 0.00 0.00 55.73 53.77 3it6 s ARG 23 Cb -0.11 -2.42 0.06 0.00 0.52 0.00 0.00 34.95 33.00 3it6 s ARG 23 CO -0.08 0.42 0.58 0.00 0.02 0.00 0.00 175.30 176.25 3it6 s ALA 24 N -1.99 -1.51 0.18 2.13 0.00 -0.91 -0.54 121.76 119.12 3it6 s ALA 24 Ca 0.31 0.70 -0.05 0.00 0.00 0.00 0.00 51.96 52.91 3it6 s ALA 24 Cb -0.08 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.54 3it6 s ALA 24 CO 0.22 -0.57 0.34 0.00 0.00 0.00 0.00 175.76 175.74 3it6 n ALA 25 N 0.22 -0.67 -3.46 0.00 0.00 -1.08 -2.90 120.51 112.61 3it6 n ALA 25 Ca -0.18 -0.63 -0.13 0.00 0.00 0.00 0.00 53.44 52.50 3it6 n ALA 25 Cb 0.61 0.50 -0.09 0.00 0.00 0.00 0.00 19.45 20.48 3it6 n ALA 25 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3it6 s GLY 26 N -1.98 -0.41 0.12 0.00 0.00 -1.26 -2.31 107.32 101.48 3it6 s GLY 26 Ca 0.09 1.55 0.04 0.00 0.00 0.00 0.00 44.72 46.39 3it6 s GLY 26 CO 0.07 1.37 -0.10 -1.34 0.00 0.00 0.00 173.10 173.10 3it6 s VAL 27 N 0.41 1.01 -1.10 1.40 -7.23 0.53 -4.80 120.40 110.61 3it6 s VAL 27 Ca -0.01 -1.87 -0.15 0.00 -1.81 0.00 0.00 61.98 58.14 3it6 s VAL 27 Cb -0.04 -1.62 0.17 0.00 0.56 0.00 0.00 36.38 35.45 3it6 s VAL 27 CO -0.01 -0.69 1.29 0.00 -0.31 0.00 0.00 175.10 175.38 3it6 s ALA 28 N -3.00 3.89 0.29 1.32 0.00 -1.26 -1.62 121.76 121.38 3it6 s ALA 28 Ca 0.11 -3.24 0.27 0.00 0.00 0.00 0.00 51.96 49.10 3it6 s ALA 28 Cb 0.01 -4.03 1.26 0.00 0.00 0.00 0.00 23.12 20.35 3it6 s ALA 28 CO -0.00 -2.76 1.97 0.00 0.00 0.00 0.00 175.76 174.97 3it6 h ALA 29 N 7.61 1.14 0.00 0.00 0.00 -1.90 -3.47 119.26 122.64 3it6 h ALA 29 Ca 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3it6 h ALA 29 Cb 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3it6 h ALA 29 CO 1.16 0.19 0.00 0.41 0.00 0.00 0.00 179.25 181.02 3it6 n GLY 30 N -0.30 0.94 0.10 0.00 0.00 -1.26 -4.77 105.19 99.89 3it6 n GLY 30 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 3it6 n GLY 30 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3it6 h ILE 31 N 0.00 0.85 -3.51 -0.61 2.04 -1.91 -3.41 117.51 110.96 3it6 h ILE 31 Ca 0.00 0.00 -0.52 0.00 1.00 0.00 0.00 64.86 65.34 3it6 h ILE 31 Cb 0.00 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3it6 h ILE 31 CO 0.00 0.00 0.48 -0.54 0.00 0.00 0.00 178.15 178.09 3it6 s LYS 32 N -6.18 4.58 0.25 2.37 1.02 -1.26 -4.93 119.74 115.59 3it6 s LYS 32 Ca -0.14 1.70 -0.05 0.00 0.02 0.00 0.00 55.97 57.50 3it6 s LYS 32 Cb 0.07 -3.30 0.28 0.00 -0.52 0.00 0.00 37.83 34.37 3it6 s LYS 32 CO 0.66 0.03 1.89 0.00 -0.92 0.00 0.00 175.35 177.02 3it6 h ALA 33 N 5.40 1.24 -0.21 5.17 0.00 -1.96 -2.73 119.26 126.17 3it6 h ALA 33 Ca -0.44 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.42 3it6 h ALA 33 Cb 1.21 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3it6 h ALA 33 CO 0.74 0.63 0.36 0.66 0.00 0.00 0.00 179.25 181.64 3it6 h SER 34 N 1.22 0.00 0.00 0.00 4.64 -1.94 -3.45 113.55 114.02 3it6 h SER 34 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3it6 h SER 34 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3it6 h SER 34 CO -0.06 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.51 3it6 n GLY 35 N -1.36 0.70 3.62 -0.77 0.00 -1.03 -5.04 105.19 101.32 3it6 n GLY 35 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3it6 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3it6 s ALA 36 N -2.72 0.72 0.13 4.61 0.00 -1.26 -4.83 121.76 118.41 3it6 s ALA 36 Ca 0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 51.96 51.61 3it6 s ALA 36 Cb 0.00 -3.24 -0.11 0.00 0.00 0.00 0.00 23.12 19.77 3it6 s ALA 36 CO 0.00 -3.02 1.79 1.28 0.00 0.00 0.00 175.76 175.81 3it6 n LEU 37 N -4.35 3.89 0.00 0.00 4.32 -1.26 -4.54 117.00 115.05 3it6 n LEU 37 Ca 0.06 1.01 0.00 0.00 -0.02 0.00 0.00 56.01 57.06 3it6 n LEU 37 Cb 0.55 -1.52 0.00 0.00 -1.62 0.00 0.00 43.42 40.82 3it6 n LEU 37 CO 0.56 0.11 0.00 -0.90 -1.22 0.00 0.00 177.39 175.94 3it6 n ASP 38 N 5.18 0.01 -4.08 -1.43 5.68 -0.64 -4.38 116.55 116.90 3it6 n ASP 38 Ca 0.18 -0.13 -0.24 0.00 -0.50 0.00 0.00 54.79 54.09 3it6 n ASP 38 Cb 0.35 0.12 -0.16 0.00 -1.14 0.00 0.00 41.12 40.29 3it6 n ASP 38 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3it6 s LEU 39 N -0.24 1.83 -0.01 -2.12 2.96 -0.76 -0.67 118.68 119.68 3it6 s LEU 39 Ca 0.00 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 3it6 s LEU 39 Cb 0.00 -0.83 -0.00 0.00 0.50 0.00 0.00 46.19 45.86 3it6 s LEU 39 CO 0.00 0.11 -0.05 0.00 -1.32 0.00 0.00 176.35 175.09 3it6 s ALA 40 N 0.19 0.45 0.02 5.97 0.00 0.03 -0.35 121.76 128.08 3it6 s ALA 40 Ca -0.06 -0.20 0.08 0.00 0.00 0.00 0.00 51.96 51.78 3it6 s ALA 40 Cb -0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3it6 s ALA 40 CO 0.02 0.10 -0.24 -1.17 0.00 0.00 0.00 175.76 174.47 3it6 s LEU 41 N -0.03 2.12 -0.01 0.00 2.96 -0.98 -1.04 118.68 121.70 3it6 s LEU 41 Ca 0.01 -0.51 0.07 0.00 -0.22 0.00 0.00 54.13 53.48 3it6 s LEU 41 Cb -0.03 -1.16 -0.02 0.00 0.50 0.00 0.00 46.19 45.48 3it6 s LEU 41 CO -0.00 0.24 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.34 3it6 s VAL 42 N -0.71 1.89 -0.17 1.68 1.01 -0.62 -2.64 120.40 120.85 3it6 s VAL 42 Ca 0.10 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 3it6 s VAL 42 Cb -0.09 -1.58 0.05 0.00 0.00 0.00 0.00 36.38 34.77 3it6 s VAL 42 CO 0.01 0.52 0.04 0.12 0.00 0.00 0.00 175.10 175.79 3it6 s PHE 43 N -0.58 0.80 -0.06 5.22 5.36 0.29 -2.04 117.98 126.98 3it6 s PHE 43 Ca 0.09 -0.63 -0.30 0.00 -0.96 0.00 0.00 56.93 55.13 3it6 s PHE 43 Cb -0.09 -0.92 -0.04 0.00 -0.34 0.00 0.00 43.02 41.63 3it6 s PHE 43 CO -0.01 -0.54 1.35 1.21 -1.46 0.00 0.00 175.22 175.77 3it6 s ASN 44 N 1.93 6.90 0.00 6.13 3.84 0.17 -1.13 114.94 132.79 3it6 s ASN 44 Ca 0.01 1.96 0.22 0.00 0.21 0.00 0.00 52.86 55.26 3it6 s ASN 44 Cb -0.16 -2.55 0.54 0.00 -0.55 0.00 0.00 41.25 38.52 3it6 s ASN 44 CO -0.08 -0.72 1.45 -0.62 -2.79 0.00 0.00 177.10 174.34 3it6 n GLU 45 N 5.80 2.20 -0.23 0.43 1.02 -0.11 -4.83 120.64 124.93 3it6 n GLU 45 Ca 0.13 -1.81 0.03 0.00 -0.02 0.00 0.00 57.16 55.49 3it6 n GLU 45 Cb 0.44 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 3it6 n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3it6 n GLY 46 N 1.36 -2.02 0.24 0.62 0.00 -1.26 -4.94 105.19 99.18 3it6 n GLY 46 Ca 0.18 -1.39 -0.04 0.00 0.00 0.00 0.00 46.02 44.77 3it6 n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3it6 h PRO 47 N 0.00 0.54 -6.93 1.61 0.13 -1.98 -3.44 132.00 121.93 3it6 h PRO 47 Ca 0.00 -0.20 -0.49 0.00 -0.87 0.00 0.00 66.00 64.44 3it6 h PRO 47 Cb 0.21 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.31 3it6 h PRO 47 CO 0.00 0.73 0.17 -0.51 -0.23 0.00 0.00 178.00 178.16 3it6 s ASP 48 N -6.79 6.49 -0.05 1.44 1.01 -1.26 -5.02 116.67 112.49 3it6 s ASP 48 Ca -0.07 1.18 0.10 0.00 0.71 0.00 0.00 52.55 54.47 3it6 s ASP 48 Cb 0.14 -2.35 0.19 0.00 1.01 0.00 0.00 42.92 41.91 3it6 s ASP 48 CO 0.80 -0.47 1.09 -1.22 0.21 0.00 0.00 175.17 175.57 3it6 n TYR 49 N -1.52 0.00 -1.92 4.23 4.01 -1.26 -4.85 117.16 115.85 3it6 n TYR 49 Ca 0.03 -0.44 -0.37 0.00 -0.16 0.00 0.00 57.90 56.96 3it6 n TYR 49 Cb 0.54 -0.11 0.04 0.00 -0.31 0.00 0.00 39.34 39.50 3it6 n TYR 49 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3it6 s ALA 50 N -0.87 2.60 -0.11 -0.72 0.00 -1.26 -1.20 121.76 120.20 3it6 s ALA 50 Ca 0.17 1.12 -0.28 0.00 0.00 0.00 0.00 51.96 52.98 3it6 s ALA 50 Cb 0.17 -3.50 0.07 0.00 0.00 0.00 0.00 23.12 19.86 3it6 s ALA 50 CO -0.04 -1.27 0.66 0.00 0.00 0.00 0.00 175.76 175.11 3it6 s ALA 51 N -1.48 -1.70 0.06 0.00 0.00 -0.51 -4.68 121.76 113.45 3it6 s ALA 51 Ca 0.76 1.44 0.02 0.00 0.00 0.00 0.00 51.96 54.19 3it6 s ALA 51 Cb -0.34 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 3it6 s ALA 51 CO 0.38 -0.35 -0.08 0.00 0.00 0.00 0.00 175.76 175.71 3it6 s ALA 52 N -0.76 0.70 0.01 0.00 0.00 -1.26 -4.59 121.76 115.85 3it6 s ALA 52 Ca -0.08 -0.90 -0.05 0.00 0.00 0.00 0.00 51.96 50.94 3it6 s ALA 52 Cb -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 3it6 s ALA 52 CO 0.07 -0.05 0.08 0.20 0.00 0.00 0.00 175.76 176.06 3it6 s GLY 53 N -1.88 0.12 0.07 0.00 0.00 -1.26 -5.16 107.32 99.22 3it6 s GLY 53 Ca -0.05 -0.33 0.04 0.00 0.00 0.00 0.00 44.72 44.38 3it6 s GLY 53 CO -0.00 -0.45 -0.11 -1.34 0.00 0.00 0.00 173.10 171.20 3it6 s VAL 54 N -1.56 0.89 0.02 1.40 -7.23 -1.26 -5.04 120.40 107.64 3it6 s VAL 54 Ca -0.14 -1.33 -0.05 0.00 -1.81 0.00 0.00 61.98 58.65 3it6 s VAL 54 Cb -0.08 -1.01 -0.01 0.00 0.56 0.00 0.00 36.38 35.85 3it6 s VAL 54 CO 0.00 -0.36 0.08 -0.36 -0.31 0.00 0.00 175.10 174.15 3it6 s PHE 55 N -1.61 0.17 0.14 2.82 0.40 0.40 -4.85 117.98 115.46 3it6 s PHE 55 Ca -0.02 -0.41 -0.33 0.00 -0.60 0.00 0.00 56.93 55.56 3it6 s PHE 55 Cb -0.08 -0.13 -0.17 0.00 0.51 0.00 0.00 43.02 43.15 3it6 s PHE 55 CO 0.01 -0.31 1.03 -2.37 0.70 0.00 0.00 175.22 174.27 3it6 n THR 56 N 1.10 0.92 1.38 0.64 5.66 -1.26 -0.82 114.28 121.90 3it6 n THR 56 Ca -0.21 -0.23 0.14 0.00 -3.05 0.00 0.00 64.05 60.70 3it6 n THR 56 Cb 0.57 -0.52 0.43 0.00 -1.55 0.00 0.00 70.33 69.26 3it6 n THR 56 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3it6 n ARG 57 N 1.55 1.68 -1.65 1.09 1.74 0.06 -4.82 116.66 116.31 3it6 n ARG 57 Ca 0.16 -1.07 -0.47 0.00 -0.77 0.00 0.00 57.85 55.70 3it6 n ARG 57 Cb 0.21 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.14 3it6 n ARG 57 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3it6 n ASN 58 N 0.28 2.51 0.25 0.55 2.85 -1.26 -4.90 115.26 115.54 3it6 n ASN 58 Ca 0.17 1.12 0.16 0.00 -0.11 0.00 0.00 54.58 55.92 3it6 n ASN 58 Cb 0.40 -1.36 0.60 0.00 1.24 0.00 0.00 39.78 40.65 3it6 n ASN 58 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 3it6 h GLN 59 N 4.75 0.00 -5.36 1.20 4.20 -2.02 -3.35 115.11 114.53 3it6 h GLN 59 Ca -0.45 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 57.61 3it6 h GLN 59 Cb 1.29 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.91 3it6 h GLN 59 CO 0.80 0.00 0.30 0.08 -0.67 0.00 0.00 178.83 179.33 3it6 s VAL 60 N -3.56 4.64 -0.14 -0.54 1.01 -1.26 -5.02 120.40 115.52 3it6 s VAL 60 Ca 0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 3it6 s VAL 60 Cb 0.09 -4.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.03 3it6 s VAL 60 CO 0.54 -0.98 -0.12 -0.54 0.00 0.00 0.00 175.10 173.99 3it6 s LYS 61 N 3.27 3.36 0.64 2.72 1.02 -1.26 -5.07 119.74 124.43 3it6 s LYS 61 Ca 0.22 -0.69 -0.16 0.00 0.02 0.00 0.00 55.97 55.36 3it6 s LYS 61 Cb -0.16 -2.67 -0.01 0.00 -0.52 0.00 0.00 37.83 34.47 3it6 s LYS 61 CO 0.15 0.14 1.13 0.00 -0.92 0.00 0.00 175.35 175.86 3it6 s ALA 62 N 0.53 2.47 0.21 5.17 0.00 -1.26 -4.77 121.76 124.11 3it6 s ALA 62 Ca -0.08 0.68 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 3it6 s ALA 62 Cb -0.16 -3.36 0.28 0.00 0.00 0.00 0.00 23.12 19.88 3it6 s ALA 62 CO 0.04 -1.25 1.64 0.00 0.00 0.00 0.00 175.76 176.19 3it6 h ALA 63 N 0.29 0.52 -0.96 0.00 0.00 -1.86 -0.16 119.26 117.09 3it6 h ALA 63 Ca -0.48 0.22 0.21 0.00 0.00 0.00 0.00 54.91 54.87 3it6 h ALA 63 Cb 1.26 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 19.38 3it6 h ALA 63 CO 0.54 -0.42 0.62 -1.00 0.00 0.00 0.00 179.25 178.99 3it6 h PRO 64 N 0.05 0.48 -0.04 0.00 0.13 -1.85 0.52 132.00 131.29 3it6 h PRO 64 Ca 0.32 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.40 3it6 h PRO 64 Cb 0.51 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.53 3it6 h PRO 64 CO -0.60 0.32 -0.07 0.28 -0.23 0.00 0.00 178.00 177.70 3it6 h VAL 65 N 0.50 1.43 -0.73 1.56 2.07 -1.26 -1.74 116.25 118.08 3it6 h VAL 65 Ca 0.52 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 3it6 h VAL 65 Cb 1.17 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 33.18 3it6 h VAL 65 CO -0.25 0.37 0.37 -0.07 0.02 0.00 0.00 177.57 178.02 3it6 h LEU 66 N -0.42 0.92 0.88 2.57 3.38 -0.67 0.60 115.31 122.57 3it6 h LEU 66 Ca 0.00 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3it6 h LEU 66 Cb 0.64 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.17 3it6 h LEU 66 CO 0.02 0.76 -0.42 -0.25 0.09 0.00 0.00 178.44 178.64 3it6 h TRP 67 N 1.03 -1.09 -0.31 1.13 2.91 -0.99 -2.96 115.95 115.66 3it6 h TRP 67 Ca 0.26 -0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.31 3it6 h TRP 67 Cb 0.07 0.36 -0.02 0.00 -0.51 0.00 0.00 29.16 29.06 3it6 h TRP 67 CO 0.01 -0.68 0.22 1.15 -1.03 0.00 0.00 178.44 178.11 3it6 h THR 68 N -1.29 0.92 -0.11 2.65 2.02 -1.09 0.97 112.91 116.98 3it6 h THR 68 Ca -0.12 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 3it6 h THR 68 Cb 0.91 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 3it6 h THR 68 CO 0.20 0.03 -0.22 1.56 0.37 0.00 0.00 175.52 177.45 3it6 h GLN 69 N 0.15 0.18 0.01 6.66 4.20 -0.90 -1.62 115.11 123.79 3it6 h GLN 69 Ca 0.14 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 3it6 h GLN 69 Cb 0.38 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3it6 h GLN 69 CO -0.02 0.41 -0.00 1.96 -0.67 0.00 0.00 178.83 180.50 3it6 h GLN 70 N 0.17 -0.01 -0.69 1.46 4.20 -0.69 -3.31 115.11 116.25 3it6 h GLN 70 Ca 0.03 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.87 3it6 h GLN 70 Cb 0.50 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.15 3it6 h GLN 70 CO 0.03 0.82 -0.27 0.28 -0.67 0.00 0.00 178.83 179.03 3it6 h VAL 71 N -0.92 0.20 0.00 -0.54 2.07 -1.25 -2.46 116.25 113.35 3it6 h VAL 71 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3it6 h VAL 71 Cb 0.84 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3it6 h VAL 71 CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77 3it6 n LEU 72 N -5.46 0.00 0.00 2.57 7.99 -0.61 -2.17 117.00 119.31 3it6 n LEU 72 Ca 0.07 0.34 0.08 0.00 -0.01 0.00 0.00 56.01 56.49 3it6 n LEU 72 Cb 0.37 -0.34 0.35 0.00 -0.11 0.00 0.00 43.42 43.69 3it6 n LEU 72 CO -0.01 -0.21 0.76 0.35 -1.51 0.00 0.00 177.39 176.77 3it6 n THR 73 N -1.34 0.85 1.03 -5.08 -2.24 -0.93 -2.63 114.28 103.94 3it6 n THR 73 Ca 0.05 0.21 0.11 0.00 -2.27 0.00 0.00 64.05 62.15 3it6 n THR 73 Cb 0.10 -0.93 0.03 0.00 -2.10 0.00 0.00 70.33 67.42 3it6 n THR 73 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3it6 n THR 74 N -1.49 0.00 -0.96 4.28 -2.24 -0.92 -4.98 114.28 107.97 3it6 n THR 74 Ca 0.04 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3it6 n THR 74 Cb 0.19 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 3it6 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3it6 n GLY 75 N 1.45 0.13 3.44 3.38 0.00 -1.08 -4.97 105.19 107.55 3it6 n GLY 75 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3it6 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3it6 s ARG 76 N -1.44 1.95 -0.18 1.61 0.52 -1.26 -1.42 118.95 118.72 3it6 s ARG 76 Ca 0.00 -1.05 -0.14 0.00 -0.52 0.00 0.00 55.73 54.02 3it6 s ARG 76 Cb 0.00 -2.13 0.05 0.00 0.52 0.00 0.00 34.95 33.40 3it6 s ARG 76 CO 0.00 0.52 0.47 -0.51 0.02 0.00 0.00 175.30 175.80 3it6 s LEU 77 N -1.54 -0.03 -0.17 2.53 1.43 -0.34 -4.80 118.68 115.76 3it6 s LEU 77 Ca 0.15 0.99 0.06 0.00 -1.03 0.00 0.00 54.13 54.29 3it6 s LEU 77 Cb -0.10 1.59 -0.23 0.00 0.03 0.00 0.00 46.19 47.49 3it6 s LEU 77 CO 0.05 -0.18 0.17 -1.14 0.23 0.00 0.00 176.35 175.49 3it6 n ARG 78 N 3.53 0.68 -3.98 1.70 0.63 -0.27 -4.74 116.66 114.21 3it6 n ARG 78 Ca -0.18 0.17 -0.13 0.00 -0.92 0.00 0.00 57.85 56.79 3it6 n ARG 78 Cb 0.56 -1.62 -0.01 0.00 0.45 0.00 0.00 32.46 31.84 3it6 n ARG 78 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3it6 s ALA 79 N -2.54 0.27 -0.10 5.13 0.00 -1.12 0.45 121.76 123.84 3it6 s ALA 79 Ca -0.19 -1.28 -0.05 0.00 0.00 0.00 0.00 51.96 50.44 3it6 s ALA 79 Cb 0.07 0.97 0.05 0.00 0.00 0.00 0.00 23.12 24.21 3it6 s ALA 79 CO 0.75 -0.86 0.22 0.08 0.00 0.00 0.00 175.76 175.95 3it6 s VAL 80 N -2.63 -0.14 -0.08 0.00 1.01 -0.86 -1.98 120.40 115.71 3it6 s VAL 80 Ca 0.25 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.44 3it6 s VAL 80 Cb -0.02 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 3it6 s VAL 80 CO 0.18 0.08 -0.08 -0.51 0.00 0.00 0.00 175.10 174.78 3it6 s ILE 81 N 1.60 3.59 -0.03 2.22 1.10 0.98 -1.58 121.20 129.07 3it6 s ILE 81 Ca -0.06 -0.51 -0.01 0.00 -0.51 0.00 0.00 60.65 59.57 3it6 s ILE 81 Cb -0.11 -2.48 0.03 0.00 0.15 0.00 0.00 42.46 40.05 3it6 s ILE 81 CO -0.08 0.58 0.05 -0.76 -2.11 0.00 0.00 174.94 172.62 3it6 s LEU 82 N -0.52 0.81 0.14 8.50 1.02 -0.21 -0.99 118.68 127.42 3it6 s LEU 82 Ca 0.08 0.08 0.08 0.00 0.02 0.00 0.00 54.13 54.39 3it6 s LEU 82 Cb -0.12 -0.04 -0.04 0.00 0.02 0.00 0.00 46.19 46.01 3it6 s LEU 82 CO 0.02 -0.16 -0.13 0.54 0.02 0.00 0.00 176.35 176.64 3it6 s ASN 83 N 1.36 4.16 0.50 2.29 4.22 -0.68 -0.79 114.94 125.99 3it6 s ASN 83 Ca -0.06 -0.52 0.05 0.00 -2.14 0.00 0.00 52.86 50.20 3it6 s ASN 83 Cb -0.13 -0.69 0.00 0.00 1.28 0.00 0.00 41.25 41.72 3it6 s ASN 83 CO -0.03 0.15 0.29 -0.94 -2.04 0.00 0.00 177.10 174.53 3it6 s SER 84 N -2.41 4.54 0.00 3.54 1.04 0.15 -1.85 113.70 118.72 3it6 s SER 84 Ca 0.21 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.42 3it6 s SER 84 Cb -0.10 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.14 3it6 s SER 84 CO 0.13 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.07 3it6 n GLY 85 N -1.54 0.58 0.00 7.32 0.00 -0.99 -4.65 105.19 105.91 3it6 n GLY 85 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3it6 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3it6 n GLY 86 N -2.83 1.21 0.10 -0.02 0.00 -0.74 -4.76 105.19 98.14 3it6 n GLY 86 Ca 0.00 0.46 0.12 0.00 0.00 0.00 0.00 46.02 46.60 3it6 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3it6 h ALA 87 N 0.00 0.79 -6.42 4.61 0.00 -1.45 -2.98 119.26 113.81 3it6 h ALA 87 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 3it6 h ALA 87 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 3it6 h ALA 87 CO 0.00 0.00 -0.80 -1.71 0.00 0.00 0.00 179.25 176.74 3it6 n ASN 88 N -2.27 -3.59 -4.54 0.00 5.15 -1.26 -4.63 115.26 104.13 3it6 n ASN 88 Ca 0.04 -0.87 -0.31 0.00 -0.60 0.00 0.00 54.58 52.84 3it6 n ASN 88 Cb 0.45 -3.52 -0.11 0.00 -0.53 0.00 0.00 39.78 36.07 3it6 n ASN 88 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3it6 s ALA 89 N -3.40 2.86 -1.27 5.20 0.00 -1.26 -3.24 121.76 120.64 3it6 s ALA 89 Ca 0.55 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 3it6 s ALA 89 Cb -0.28 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 21.87 3it6 s ALA 89 CO 0.86 0.60 0.90 0.00 0.00 0.00 0.00 175.76 178.12 3it6 n THR 91 N -4.29 0.63 -4.61 0.00 -2.24 -1.26 -4.61 114.28 97.90 3it6 n THR 91 Ca -0.25 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 3it6 n THR 91 Cb 0.66 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 3it6 n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3it6 n GLY 92 N -0.32 -1.24 0.36 3.38 0.00 -1.26 -2.01 105.19 104.11 3it6 n GLY 92 Ca 0.00 -1.15 0.14 0.00 0.00 0.00 0.00 46.02 45.01 3it6 n GLY 92 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3it6 h PRO 93 N 0.00 0.70 -0.27 1.61 0.11 -2.00 -1.37 132.00 130.78 3it6 h PRO 93 Ca 0.00 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 3it6 h PRO 93 Cb 0.00 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 3it6 h PRO 93 CO 0.00 0.46 0.05 0.00 -0.21 0.00 0.00 178.00 178.30 3it6 h ALA 94 N 1.63 0.35 -0.33 -0.75 0.00 -2.00 -1.39 119.26 116.78 3it6 h ALA 94 Ca 0.56 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.34 3it6 h ALA 94 Cb 0.93 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 3it6 h ALA 94 CO -0.34 0.03 0.01 0.78 0.00 0.00 0.00 179.25 179.73 3it6 h GLY 95 N 0.26 0.33 1.52 0.00 0.00 -0.66 -0.02 103.07 104.50 3it6 h GLY 95 Ca 0.08 0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.50 3it6 h GLY 95 CO 0.00 -0.07 0.19 -2.75 0.00 0.00 0.00 176.54 173.92 3it6 h PHE 96 N 0.10 0.12 -0.01 5.60 3.57 -1.14 -1.72 116.94 123.46 3it6 h PHE 96 Ca 0.16 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.48 3it6 h PHE 96 Cb 0.21 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3it6 h PHE 96 CO -0.23 0.07 -0.79 0.00 -2.23 0.00 0.00 178.31 175.12 3it6 h ALA 97 N 1.85 0.64 -0.74 2.41 0.00 -0.04 -2.40 119.26 120.98 3it6 h ALA 97 Ca 0.13 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3it6 h ALA 97 Cb 0.35 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3it6 h ALA 97 CO -0.02 0.88 0.42 -0.44 0.00 0.00 0.00 179.25 180.09 3it6 h ASP 98 N 0.10 0.91 -0.61 0.00 3.32 -0.15 0.26 116.42 120.25 3it6 h ASP 98 Ca -0.03 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3it6 h ASP 98 Cb 1.38 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 3it6 h ASP 98 CO 0.12 0.73 0.35 0.74 -1.72 0.00 0.00 179.24 179.46 3it6 h THR 99 N 1.01 1.19 -0.33 0.35 2.02 -1.40 -0.39 112.91 115.36 3it6 h THR 99 Ca 0.26 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 3it6 h THR 99 Cb 0.01 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3it6 h THR 99 CO -0.04 0.19 0.05 -0.74 0.37 0.00 0.00 175.52 175.35 3it6 h HIS 100 N 0.82 0.58 0.00 3.16 -0.00 -1.15 -1.31 115.15 117.25 3it6 h HIS 100 Ca 0.22 -0.08 -0.03 0.00 -0.00 0.00 0.00 60.37 60.48 3it6 h HIS 100 Cb 0.00 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 27.25 3it6 h HIS 100 CO -0.02 0.62 -0.12 0.00 -0.00 0.00 0.00 177.93 178.41 3it6 h ALA 101 N 0.89 1.39 -0.05 5.26 0.00 -0.77 -0.64 119.26 125.34 3it6 h ALA 101 Ca 0.10 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3it6 h ALA 101 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3it6 h ALA 101 CO 0.01 0.15 -0.16 1.15 0.00 0.00 0.00 179.25 180.40 3it6 h THR 102 N 0.00 1.44 -0.06 0.00 2.02 -0.81 -2.05 112.91 113.46 3it6 h THR 102 Ca -0.00 -1.55 0.02 0.00 0.77 0.00 0.00 66.41 65.65 3it6 h THR 102 Cb 0.30 2.32 -0.00 0.00 -1.74 0.00 0.00 68.15 69.03 3it6 h THR 102 CO 0.02 0.43 0.05 0.00 0.37 0.00 0.00 175.52 176.38 3it6 h ALA 103 N 0.44 1.86 0.16 6.16 0.00 -0.53 -1.82 119.26 125.53 3it6 h ALA 103 Ca -0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 3it6 h ALA 103 Cb 0.78 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3it6 h ALA 103 CO 0.03 -0.08 -1.81 1.49 0.00 0.00 0.00 179.25 178.89 3it6 h GLU 104 N 0.00 0.33 -0.10 0.00 4.81 -1.16 -2.76 114.58 115.70 3it6 h GLU 104 Ca 0.03 -0.57 -0.08 0.00 -0.13 0.00 0.00 59.36 58.61 3it6 h GLU 104 Cb 0.12 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3it6 h GLU 104 CO -0.00 1.25 -0.30 0.00 -0.73 0.00 0.00 179.01 179.23 3it6 h ALA 105 N 0.16 1.31 0.27 2.92 0.00 -1.14 -0.50 119.26 122.27 3it6 h ALA 105 Ca -0.36 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 3it6 h ALA 105 Cb 2.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.78 3it6 h ALA 105 CO 0.15 0.48 -0.13 0.28 0.00 0.00 0.00 179.25 180.03 3it6 h VAL 106 N 0.17 0.76 -0.65 0.00 2.07 -1.45 -1.21 116.25 115.94 3it6 h VAL 106 Ca 0.02 -0.65 0.12 0.00 0.82 0.00 0.00 66.70 67.02 3it6 h VAL 106 Cb 0.62 1.10 -0.09 0.00 -1.52 0.00 0.00 31.29 31.40 3it6 h VAL 106 CO 0.05 0.13 0.16 0.00 0.02 0.00 0.00 177.57 177.92 3it6 h ALA 107 N -0.14 0.80 0.09 1.67 0.00 -1.35 -0.94 119.26 119.40 3it6 h ALA 107 Ca -0.04 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3it6 h ALA 107 Cb 0.49 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3it6 h ALA 107 CO 0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 179.25 178.97 3it6 h ALA 108 N 1.51 -0.12 -0.18 0.00 0.00 -1.15 -2.14 119.26 117.18 3it6 h ALA 108 Ca 0.35 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.25 3it6 h ALA 108 Cb 0.53 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3it6 h ALA 108 CO -0.42 -0.53 0.15 0.00 0.00 0.00 0.00 179.25 178.44 3it6 h ALA 109 N 0.70 2.04 0.13 0.00 0.00 -0.55 -0.44 119.26 121.15 3it6 h ALA 109 Ca -0.01 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 3it6 h ALA 109 Cb 0.17 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3it6 h ALA 109 CO 0.02 -0.24 -1.24 -0.07 0.00 0.00 0.00 179.25 177.72 3it6 h LEU 110 N 0.00 0.50 -0.66 0.00 3.38 -1.08 -2.49 115.31 114.96 3it6 h LEU 110 Ca 0.09 -0.51 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 3it6 h LEU 110 Cb 0.38 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3it6 h LEU 110 CO -0.00 1.39 0.09 0.28 0.09 0.00 0.00 178.44 180.29 3it6 h SER 111 N 0.11 1.07 0.87 -0.43 0.02 -0.42 0.13 113.55 114.89 3it6 h SER 111 Ca -0.14 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3it6 h SER 111 Cb 1.95 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 64.21 3it6 h SER 111 CO 0.21 1.07 0.00 0.47 -1.14 0.00 0.00 176.83 177.43 3it6 n ASP 112 N -4.21 0.54 -0.04 3.07 9.92 -0.26 -3.14 116.55 122.43 3it6 n ASP 112 Ca 0.04 0.61 -0.10 0.00 -0.53 0.00 0.00 54.79 54.80 3it6 n ASP 112 Cb 0.30 -0.73 -0.14 0.00 -0.64 0.00 0.00 41.12 39.91 3it6 n ASP 112 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 3it6 n TRP 113 N -2.07 0.78 0.00 1.24 -0.00 -0.91 -4.98 117.44 111.49 3it6 n TRP 113 Ca 0.03 0.26 0.00 0.00 -0.00 0.00 0.00 57.50 57.80 3it6 n TRP 113 Cb 0.27 -1.14 0.00 0.00 -0.00 0.00 0.00 31.31 30.44 3it6 n TRP 113 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3it6 n GLY 114 N 1.66 0.23 3.41 5.87 0.00 -0.15 -5.08 105.19 111.14 3it6 n GLY 114 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 3it6 n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3it6 s THR 115 N 0.00 2.99 -0.86 2.61 2.01 0.27 -4.96 115.64 117.69 3it6 s THR 115 Ca 0.00 -0.71 -0.25 0.00 0.31 0.00 0.00 61.69 61.04 3it6 s THR 115 Cb 0.00 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.31 3it6 s THR 115 CO 0.00 0.56 1.60 -0.70 -0.69 0.00 0.00 174.62 175.39 3it6 s GLU 116 N -0.14 3.09 -0.13 4.92 2.56 -1.26 -1.61 118.70 126.11 3it6 s GLU 116 Ca -0.01 -0.45 0.02 0.00 0.00 0.00 0.00 54.97 54.53 3it6 s GLU 116 Cb -0.14 -4.87 0.00 0.00 2.00 0.00 0.00 34.13 31.12 3it6 s GLU 116 CO 0.03 -2.57 -0.20 0.99 -0.56 0.00 0.00 175.26 172.95 3it6 s THR 117 N 7.08 2.33 0.50 -1.70 2.01 -1.26 -5.00 115.64 119.60 3it6 s THR 117 Ca 0.53 -0.90 0.09 0.00 0.31 0.00 0.00 61.69 61.72 3it6 s THR 117 Cb -0.05 -1.94 0.05 0.00 0.01 0.00 0.00 72.50 70.56 3it6 s THR 117 CO 0.03 0.54 0.66 -0.83 -0.69 0.00 0.00 174.62 174.33 3it6 s GLY 118 N 0.67 1.87 0.36 4.40 0.00 -1.26 -4.10 107.32 109.26 3it6 s GLY 118 Ca -0.09 -1.90 0.08 0.00 0.00 0.00 0.00 44.72 42.80 3it6 s GLY 118 CO 0.02 -1.62 1.86 0.00 0.00 0.00 0.00 173.10 173.35 3it6 h ALA 119 N 0.44 1.39 0.00 3.20 0.00 -1.89 -3.02 119.26 119.37 3it6 h ALA 119 Ca -0.35 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3it6 h ALA 119 Cb 1.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3it6 h ALA 119 CO 0.44 0.42 0.00 1.51 0.00 0.00 0.00 179.25 181.62 3it6 n ILE 120 N -4.21 0.00 0.12 0.00 0.00 -1.26 -2.40 119.36 111.61 3it6 n ILE 120 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 62.75 62.76 3it6 n ILE 120 Cb 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 39.64 39.85 3it6 n ILE 120 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3it6 n GLU 121 N -0.45 1.60 -3.86 9.51 1.02 -1.14 -4.87 120.64 122.45 3it6 n GLU 121 Ca 0.00 -0.45 -0.35 0.00 -0.02 0.00 0.00 57.16 56.33 3it6 n GLU 121 Cb 0.02 -0.91 -0.14 0.00 -0.02 0.00 0.00 31.44 30.39 3it6 n GLU 121 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3it6 s VAL 122 N -0.57 3.61 0.15 2.62 1.01 -1.01 -1.11 120.40 125.11 3it6 s VAL 122 Ca 0.03 -0.43 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 3it6 s VAL 122 Cb 0.02 -2.67 -0.07 0.00 0.00 0.00 0.00 36.38 33.66 3it6 s VAL 122 CO 0.06 0.39 0.65 0.00 0.00 0.00 0.00 175.10 176.20 3it6 s ALA 123 N 1.51 3.50 -0.06 5.51 0.00 -0.84 -4.87 121.76 126.52 3it6 s ALA 123 Ca 0.06 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.18 3it6 s ALA 123 Cb -0.15 -2.73 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 3it6 s ALA 123 CO -0.01 0.37 -0.23 0.08 0.00 0.00 0.00 175.76 175.97 3it6 s VAL 124 N -1.32 2.29 0.01 0.00 1.01 -1.26 -0.01 120.40 121.12 3it6 s VAL 124 Ca 0.37 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3it6 s VAL 124 Cb -0.18 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3it6 s VAL 124 CO 0.21 0.57 -0.07 0.00 0.00 0.00 0.00 175.10 175.80 3it6 s SER 126 N -0.70 0.78 -0.02 0.00 0.01 -1.26 -1.68 113.70 110.83 3it6 s SER 126 Ca -0.02 -0.78 -0.18 0.00 1.31 0.00 0.00 55.95 56.28 3it6 s SER 126 Cb -0.05 0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.31 3it6 s SER 126 CO 0.00 -0.38 0.39 0.28 0.41 0.00 0.00 173.24 173.94 3it6 s THR 127 N -2.63 0.05 -4.15 1.44 -1.32 -0.77 -4.80 115.64 103.46 3it6 s THR 127 Ca -0.00 -0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.09 3it6 s THR 127 Cb -0.01 -0.72 0.00 0.00 -1.51 0.00 0.00 72.50 70.26 3it6 s THR 127 CO -0.04 -0.21 0.00 0.61 -2.21 0.00 0.00 174.62 172.77 3it6 n GLY 128 N 1.14 0.70 3.76 6.08 0.00 -1.26 -1.78 105.19 113.83 3it6 n GLY 128 Ca -0.21 -1.73 -0.39 0.00 0.00 0.00 0.00 46.02 43.69 3it6 n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3it6 s LEU 129 N 0.00 4.09 -0.01 0.99 1.02 -1.26 -4.18 118.68 119.33 3it6 s LEU 129 Ca 0.00 2.74 -0.16 0.00 0.02 0.00 0.00 54.13 56.74 3it6 s LEU 129 Cb 0.00 -4.01 -0.06 0.00 0.02 0.00 0.00 46.19 42.14 3it6 s LEU 129 CO 0.00 -1.11 0.43 -0.63 0.02 0.00 0.00 176.35 175.06 3it6 s ILE 130 N -1.27 5.02 0.00 -0.59 1.01 -1.26 -1.93 121.20 122.18 3it6 s ILE 130 Ca 0.62 0.89 0.00 0.00 0.00 0.00 0.00 60.65 62.16 3it6 s ILE 130 Cb -0.40 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.32 3it6 s ILE 130 CO 0.50 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.59 3it6 n GLY 131 N 2.05 0.96 3.92 6.18 0.00 -0.40 -4.99 105.19 112.90 3it6 n GLY 131 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 3it6 n GLY 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3it6 s ASP 132 N -1.85 6.41 0.10 1.61 1.01 -1.26 -4.88 116.67 117.81 3it6 s ASP 132 Ca 0.00 0.57 -0.19 0.00 0.71 0.00 0.00 52.55 53.64 3it6 s ASP 132 Cb 0.00 -2.08 -0.07 0.00 1.01 0.00 0.00 42.92 41.78 3it6 s ASP 132 CO 0.00 -0.14 0.58 -0.13 0.21 0.00 0.00 175.17 175.68 3it6 s ARG 133 N -3.52 4.17 0.40 8.23 1.81 -1.26 -4.31 118.95 124.46 3it6 s ARG 133 Ca 0.41 0.71 -0.27 0.00 -1.72 0.00 0.00 55.73 54.86 3it6 s ARG 133 Cb -0.11 -3.16 -0.10 0.00 -0.45 0.00 0.00 34.95 31.13 3it6 s ARG 133 CO 0.30 0.60 1.41 -0.51 -0.68 0.00 0.00 175.30 176.42 3it6 s LEU 134 N -1.31 4.26 -1.06 2.53 1.43 -1.26 -4.93 118.68 118.33 3it6 s LEU 134 Ca 0.31 2.89 -0.22 0.00 -1.03 0.00 0.00 54.13 56.08 3it6 s LEU 134 Cb -0.19 -3.78 0.05 0.00 0.03 0.00 0.00 46.19 42.30 3it6 s LEU 134 CO 0.19 -0.90 1.51 -2.16 0.23 0.00 0.00 176.35 175.21 3it6 s PRO 135 N -2.18 3.63 0.35 1.29 0.05 -1.26 -4.88 135.00 132.01 3it6 s PRO 135 Ca 0.55 -1.25 0.04 0.00 0.05 0.00 0.00 61.00 60.39 3it6 s PRO 135 Cb -0.43 -5.38 0.64 0.00 0.05 0.00 0.00 34.50 29.37 3it6 s PRO 135 CO 0.57 -2.24 1.94 0.52 0.05 0.00 0.00 177.00 177.84 3it6 h MET 136 N 9.47 0.65 -0.42 4.56 2.86 -1.99 -2.40 114.93 127.66 3it6 h MET 136 Ca 0.24 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.72 3it6 h MET 136 Cb 0.99 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 3it6 h MET 136 CO 1.43 0.54 -0.04 -0.44 1.06 0.00 0.00 176.91 179.46 3it6 h ASP 137 N 0.64 0.68 -0.28 1.22 3.32 -1.99 0.12 116.42 120.13 3it6 h ASP 137 Ca 0.16 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 3it6 h ASP 137 Cb 0.14 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3it6 h ASP 137 CO -0.01 0.78 -0.03 0.11 -1.72 0.00 0.00 179.24 178.36 3it6 h LYS 138 N 0.66 0.52 -0.51 3.56 1.57 -1.79 -2.93 116.57 117.65 3it6 h LYS 138 Ca 0.13 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3it6 h LYS 138 Cb 0.47 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3it6 h LYS 138 CO 0.02 0.70 0.08 1.25 -0.57 0.00 0.00 179.45 180.94 3it6 h LEU 139 N 0.29 0.81 -0.75 2.94 6.46 -0.99 0.22 115.31 124.30 3it6 h LEU 139 Ca 0.07 -0.26 -0.11 0.00 -0.12 0.00 0.00 57.88 57.46 3it6 h LEU 139 Cb 0.49 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 3it6 h LEU 139 CO 0.02 0.87 -0.27 -0.07 -0.62 0.00 0.00 178.44 178.37 3it6 h LEU 140 N 0.73 0.66 -0.74 2.25 3.38 -0.87 -0.86 115.31 119.87 3it6 h LEU 140 Ca 0.16 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 3it6 h LEU 140 Cb 0.40 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3it6 h LEU 140 CO 0.01 0.91 -0.44 0.00 0.09 0.00 0.00 178.44 179.01 3it6 h ALA 141 N 1.14 0.91 -0.84 1.53 0.00 -1.31 -2.68 119.26 118.01 3it6 h ALA 141 Ca 0.07 -0.45 0.05 0.00 0.00 0.00 0.00 54.91 54.58 3it6 h ALA 141 Cb 0.76 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 3it6 h ALA 141 CO 0.06 0.64 0.53 0.78 0.00 0.00 0.00 179.25 181.26 3it6 h GLY 142 N 1.15 1.24 1.00 0.00 0.00 -0.05 -2.90 103.07 103.51 3it6 h GLY 142 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3it6 h GLY 142 CO 0.08 0.31 0.36 -2.08 0.00 0.00 0.00 176.54 175.20 3it6 h VAL 143 N 1.00 1.15 0.06 4.60 2.07 -0.83 0.18 116.25 124.48 3it6 h VAL 143 Ca 0.35 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 3it6 h VAL 143 Cb 0.08 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3it6 h VAL 143 CO -0.14 0.15 -0.04 0.00 0.02 0.00 0.00 177.57 177.56 3it6 h ALA 144 N 1.19 -0.09 -0.54 1.67 0.00 -1.48 -1.93 119.26 118.09 3it6 h ALA 144 Ca 0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3it6 h ALA 144 Cb -0.06 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3it6 h ALA 144 CO -0.04 -0.55 0.21 1.25 0.00 0.00 0.00 179.25 180.12 3it6 h HIS 145 N -0.10 0.82 -0.10 0.00 6.17 -1.31 -2.38 115.15 118.25 3it6 h HIS 145 Ca -0.00 -0.06 -0.14 0.00 0.71 0.00 0.00 60.37 60.87 3it6 h HIS 145 Cb 0.09 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 29.76 3it6 h HIS 145 CO -0.09 0.68 -0.56 -0.24 0.71 0.00 0.00 177.93 178.43 3it6 h VAL 146 N 0.73 1.36 -0.39 5.26 3.04 -0.92 -2.04 116.25 123.29 3it6 h VAL 146 Ca 0.18 -1.86 -0.12 0.00 -1.01 0.00 0.00 66.70 63.89 3it6 h VAL 146 Cb 0.20 1.89 -0.01 0.00 -2.01 0.00 0.00 31.29 31.36 3it6 h VAL 146 CO -0.01 0.56 -0.24 0.58 -1.01 0.00 0.00 177.57 177.44 3it6 h VAL 147 N 0.24 1.27 -0.13 1.51 2.07 -1.28 -2.80 116.25 117.13 3it6 h VAL 147 Ca 0.00 -1.36 -0.07 0.00 0.82 0.00 0.00 66.70 66.09 3it6 h VAL 147 Cb 1.05 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 3it6 h VAL 147 CO 0.09 0.46 -0.22 -0.74 0.02 0.00 0.00 177.57 177.18 3it6 h HIS 148 N 0.69 0.24 -0.02 1.57 6.17 -1.24 -3.23 115.15 119.33 3it6 h HIS 148 Ca 0.09 -0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.13 3it6 h HIS 148 Cb 0.76 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.63 3it6 h HIS 148 CO 0.04 0.44 -0.01 0.39 0.71 0.00 0.00 177.93 179.50 3it6 n GLU 149 N -4.20 2.05 -2.48 5.26 -0.58 -0.79 -4.97 120.64 114.94 3it6 n GLU 149 Ca -0.01 -1.55 -0.41 0.00 -0.42 0.00 0.00 57.16 54.78 3it6 n GLU 149 Cb 0.33 -1.47 -0.04 0.00 -0.57 0.00 0.00 31.44 29.69 3it6 n GLU 149 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3it6 s MET 150 N -2.01 4.59 0.10 3.49 0.23 -1.08 -4.76 119.30 119.87 3it6 s MET 150 Ca 0.32 1.76 -0.06 0.00 -1.03 0.00 0.00 55.69 56.68 3it6 s MET 150 Cb 0.20 -3.25 -0.02 0.00 -1.53 0.00 0.00 34.83 30.24 3it6 s MET 150 CO 0.32 0.09 0.15 -3.38 -2.03 0.00 0.00 175.02 170.17 3it6 s HIS 151 N -0.46 0.35 -1.14 3.16 -3.43 -1.14 -4.84 115.29 107.80 3it6 s HIS 151 Ca 0.49 -0.79 0.24 0.00 -0.80 0.00 0.00 55.06 54.20 3it6 s HIS 151 Cb -0.31 -0.17 1.11 0.00 -1.43 0.00 0.00 32.58 31.78 3it6 s HIS 151 CO 0.37 -0.54 1.80 0.41 -2.00 0.00 0.00 174.74 174.77 3it6 n GLY 152 N -0.06 -1.26 3.81 -1.38 0.00 -1.26 -2.14 105.19 102.89 3it6 n GLY 152 Ca -0.12 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 3it6 n GLY 152 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3it6 s GLY 153 N -2.86 1.66 0.24 -0.02 0.00 -1.26 -4.77 107.32 100.30 3it6 s GLY 153 Ca 0.15 0.06 -0.06 0.00 0.00 0.00 0.00 44.72 44.88 3it6 s GLY 153 CO 0.42 0.40 1.88 1.41 0.00 0.00 0.00 173.10 177.22 3it6 h LEU 154 N -0.87 1.12 -0.78 0.66 3.38 -1.90 -0.84 115.31 116.07 3it6 h LEU 154 Ca -0.44 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.45 3it6 h LEU 154 Cb 1.22 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3it6 h LEU 154 CO 0.56 0.87 0.04 0.52 0.09 0.00 0.00 178.44 180.52 3it6 n VAL 155 N -4.35 1.34 -0.01 1.22 0.31 -1.26 -1.50 118.33 114.08 3it6 n VAL 155 Ca 0.10 0.64 -0.16 0.00 -0.01 0.00 0.00 64.34 64.91 3it6 n VAL 155 Cb 0.07 -1.64 -0.12 0.00 -0.91 0.00 0.00 33.84 31.24 3it6 n VAL 155 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3it6 h GLY 156 N 0.00 0.28 0.81 2.92 0.00 -1.36 -2.45 103.07 103.27 3it6 h GLY 156 Ca 0.00 -0.52 0.06 0.00 0.00 0.00 0.00 47.33 46.87 3it6 h GLY 156 CO 0.00 0.46 0.63 -1.33 0.00 0.00 0.00 176.54 176.30 3it6 h GLY 157 N -0.41 1.44 0.84 4.60 0.00 -1.35 -2.95 103.07 105.25 3it6 h GLY 157 Ca -0.06 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 3it6 h GLY 157 CO 0.08 0.35 -0.10 -0.55 0.00 0.00 0.00 176.54 176.31 3it6 h ASP 158 N 1.15 -0.24 -0.93 0.19 5.19 -1.45 -0.26 116.42 120.07 3it6 h ASP 158 Ca 0.41 -0.12 0.03 0.00 -0.62 0.00 0.00 57.03 56.73 3it6 h ASP 158 Cb 0.14 0.06 -0.05 0.00 0.18 0.00 0.00 39.33 39.66 3it6 h ASP 158 CO -0.15 -0.03 0.61 -0.33 -3.12 0.00 0.00 179.24 176.22 3it6 h GLU 159 N -0.45 1.15 0.07 3.56 5.08 -1.44 -0.01 114.58 122.54 3it6 h GLU 159 Ca -0.03 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3it6 h GLU 159 Cb 0.35 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3it6 h GLU 159 CO 0.05 0.76 -0.03 0.00 -1.00 0.00 0.00 179.01 178.79 3it6 h ALA 160 N 1.45 -0.09 -0.86 3.43 0.00 -1.44 0.22 119.26 121.97 3it6 h ALA 160 Ca 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3it6 h ALA 160 Cb -0.02 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3it6 h ALA 160 CO -0.10 -0.46 0.51 0.00 0.00 0.00 0.00 179.25 179.20 3it6 h ALA 161 N 0.65 1.29 -0.81 0.00 0.00 -0.65 -1.57 119.26 118.16 3it6 h ALA 161 Ca -0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3it6 h ALA 161 Cb 0.24 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3it6 h ALA 161 CO 0.01 0.61 0.34 0.45 0.00 0.00 0.00 179.25 180.67 3it6 h HIS 162 N 1.18 1.22 0.00 0.00 -0.00 -0.92 -3.28 115.15 113.35 3it6 h HIS 162 Ca 0.31 -0.08 -0.02 0.00 -0.00 0.00 0.00 60.37 60.57 3it6 h HIS 162 Cb -0.04 -0.37 -0.00 0.00 -0.00 0.00 0.00 27.41 27.00 3it6 h HIS 162 CO 0.01 0.91 -0.10 0.00 -0.00 0.00 0.00 177.93 178.74 3it6 h ALA 163 N 1.19 0.99 -0.01 2.45 0.00 0.06 -3.14 119.26 120.81 3it6 h ALA 163 Ca 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3it6 h ALA 163 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3it6 h ALA 163 CO -0.03 0.13 -0.13 0.44 0.00 0.00 0.00 179.25 179.67 3it6 n ILE 164 N -3.20 0.00 -2.42 0.00 -5.35 -1.00 -3.87 119.36 103.52 3it6 n ILE 164 Ca 0.01 -0.10 -0.39 0.00 -0.27 0.00 0.00 62.75 62.00 3it6 n ILE 164 Cb 0.42 0.10 -0.03 0.00 -1.74 0.00 0.00 39.64 38.38 3it6 n ILE 164 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 3it6 s MET 165 N -2.38 4.32 0.00 6.28 -1.94 -1.19 -4.77 119.30 119.61 3it6 s MET 165 Ca 0.30 1.76 0.00 0.00 -1.71 0.00 0.00 55.69 56.04 3it6 s MET 165 Cb 0.20 -2.85 0.00 0.00 2.01 0.00 0.00 34.83 34.19 3it6 s MET 165 CO 0.46 -0.07 0.00 0.25 -0.01 0.00 0.00 175.02 175.65 3it6 n THR 166 N 0.49 0.00 1.38 2.05 -2.24 -1.26 -4.79 114.28 109.90 3it6 n THR 166 Ca 0.02 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.93 3it6 n THR 166 Cb 0.46 -0.32 0.46 0.00 -2.10 0.00 0.00 70.33 68.82 3it6 n THR 166 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3it6 n THR 167 N -0.33 0.06 -1.71 4.28 -2.24 -1.26 -4.92 114.28 108.15 3it6 n THR 167 Ca 0.00 -0.30 -0.38 0.00 -2.27 0.00 0.00 64.05 61.09 3it6 n THR 167 Cb 0.00 0.56 0.04 0.00 -2.10 0.00 0.00 70.33 68.83 3it6 n THR 167 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3it6 n ASP 168 N 0.32 2.20 -0.04 3.42 9.92 -1.26 -4.91 116.55 126.21 3it6 n ASP 168 Ca 0.18 0.94 0.01 0.00 -0.53 0.00 0.00 54.79 55.40 3it6 n ASP 168 Cb 0.37 -1.53 -0.15 0.00 -0.64 0.00 0.00 41.12 39.18 3it6 n ASP 168 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3it6 n ASN 169 N -0.92 0.14 -3.93 -2.24 4.13 -1.26 -4.99 115.26 106.19 3it6 n ASN 169 Ca 0.11 0.06 -0.10 0.00 1.68 0.00 0.00 54.58 56.33 3it6 n ASN 169 Cb 0.45 1.32 -0.11 0.00 -1.54 0.00 0.00 39.78 39.90 3it6 n ASN 169 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 3it6 s VAL 170 N -3.04 0.09 0.89 2.41 -7.23 -1.26 -5.17 120.40 107.09 3it6 s VAL 170 Ca -0.08 -0.72 -0.12 0.00 -1.81 0.00 0.00 61.98 59.25 3it6 s VAL 170 Cb 0.10 -0.29 0.12 0.00 0.56 0.00 0.00 36.38 36.87 3it6 s VAL 170 CO 0.86 -0.40 1.11 -2.16 -0.31 0.00 0.00 175.10 174.20 3it6 s PRO 171 N -1.24 1.36 -0.24 4.82 0.04 -1.26 -5.02 135.00 133.46 3it6 s PRO 171 Ca -0.14 0.53 0.01 0.00 0.04 0.00 0.00 61.00 61.45 3it6 s PRO 171 Cb -0.08 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.68 3it6 s PRO 171 CO -0.00 -2.10 -0.06 0.15 0.04 0.00 0.00 177.00 175.03 3it6 s LYS 172 N -5.13 1.66 -0.00 4.56 3.01 -1.24 -5.06 119.74 117.54 3it6 s LYS 172 Ca 0.63 -1.01 0.03 0.00 -1.01 0.00 0.00 55.97 54.61 3it6 s LYS 172 Cb -0.16 -2.61 -0.01 0.00 -1.01 0.00 0.00 37.83 34.05 3it6 s LYS 172 CO 0.55 -0.60 -0.10 -0.65 0.51 0.00 0.00 175.35 175.06 3it6 s GLN 173 N 1.38 0.81 -0.06 1.68 -0.21 -1.26 -1.75 119.66 120.24 3it6 s GLN 173 Ca -0.06 -0.39 -0.23 0.00 0.02 0.00 0.00 55.36 54.70 3it6 s GLN 173 Cb -0.19 -0.78 0.05 0.00 1.00 0.00 0.00 33.01 33.09 3it6 s GLN 173 CO -0.06 0.21 0.52 0.54 -2.12 0.00 0.00 175.29 174.38 3it6 s VAL 174 N -0.30 0.02 -0.03 1.09 0.11 -0.53 -3.70 120.40 117.06 3it6 s VAL 174 Ca 0.03 -0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 58.89 3it6 s VAL 174 Cb -0.04 -0.82 0.03 0.00 -1.53 0.00 0.00 36.38 34.01 3it6 s VAL 174 CO -0.00 -0.10 0.07 0.00 -3.33 0.00 0.00 175.10 171.74 3it6 s ALA 175 N -1.05 -0.07 -0.29 1.54 0.00 -0.19 0.46 121.76 122.16 3it6 s ALA 175 Ca -0.11 0.39 -0.11 0.00 0.00 0.00 0.00 51.96 52.14 3it6 s ALA 175 Cb -0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 3it6 s ALA 175 CO 0.07 -0.11 0.18 -1.17 0.00 0.00 0.00 175.76 174.72 3it6 s LEU 176 N 0.89 4.02 -0.53 0.00 0.20 0.20 -0.58 118.68 122.87 3it6 s LEU 176 Ca -0.07 -0.16 -0.17 0.00 0.69 0.00 0.00 54.13 54.41 3it6 s LEU 176 Cb -0.10 -2.08 0.09 0.00 -0.43 0.00 0.00 46.19 43.67 3it6 s LEU 176 CO -0.03 -0.09 0.57 -1.00 -0.29 0.00 0.00 176.35 175.50 3it6 s HIS 177 N 1.72 3.12 0.50 5.38 3.76 -0.97 -1.23 115.29 127.56 3it6 s HIS 177 Ca 0.07 -0.92 -0.20 0.00 -0.15 0.00 0.00 55.06 53.86 3it6 s HIS 177 Cb -0.16 -3.65 -0.08 0.00 1.11 0.00 0.00 32.58 29.80 3it6 s HIS 177 CO 0.09 -1.05 1.05 -1.58 -0.85 0.00 0.00 174.74 172.40 3it6 s HIS 178 N 2.18 2.95 -0.17 1.40 2.46 0.14 -3.04 115.29 121.22 3it6 s HIS 178 Ca 0.09 1.57 0.28 0.00 0.47 0.00 0.00 55.06 57.47 3it6 s HIS 178 Cb -0.24 -3.09 1.25 0.00 -0.13 0.00 0.00 32.58 30.37 3it6 s HIS 178 CO 0.07 -0.94 1.84 1.12 -2.47 0.00 0.00 174.74 174.36 3it6 h HIS 179 N 1.46 0.00 -0.17 3.88 2.07 -1.86 -2.37 115.15 118.17 3it6 h HIS 179 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 3it6 h HIS 179 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 3it6 h HIS 179 CO 0.56 0.00 0.00 -0.25 -3.07 0.00 0.00 177.93 175.17 3it6 n ASP 180 N -2.57 1.87 -1.86 3.10 8.00 -1.26 -4.90 116.55 118.93 3it6 n ASP 180 Ca 0.01 -2.17 -0.10 0.00 0.71 0.00 0.00 54.79 53.25 3it6 n ASP 180 Cb 0.21 -0.41 0.03 0.00 -0.02 0.00 0.00 41.12 40.93 3it6 n ASP 180 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3it6 n ASN 181 N 0.14 -3.47 -4.14 -2.24 4.05 -0.89 -5.08 115.26 103.62 3it6 n ASN 181 Ca 0.07 -0.24 -0.10 0.00 0.45 0.00 0.00 54.58 54.76 3it6 n ASN 181 Cb 0.39 -2.43 -0.10 0.00 1.23 0.00 0.00 39.78 38.87 3it6 n ASN 181 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 177.26 172.55 3it6 s TRP 182 N -3.14 0.77 -0.03 1.20 1.48 -1.24 -5.02 118.94 112.97 3it6 s TRP 182 Ca 0.20 -0.88 0.02 0.00 -1.06 0.00 0.00 56.10 54.38 3it6 s TRP 182 Cb -0.09 -0.47 0.01 0.00 -1.16 0.00 0.00 33.47 31.76 3it6 s TRP 182 CO 0.31 -0.18 -0.08 0.99 -4.06 0.00 0.00 176.95 173.92 3it6 s THR 183 N -3.32 0.72 -0.21 0.66 2.01 -1.26 -0.69 115.64 113.55 3it6 s THR 183 Ca 0.07 -0.31 -0.05 0.00 0.31 0.00 0.00 61.69 61.71 3it6 s THR 183 Cb 0.03 -0.65 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 3it6 s THR 183 CO -0.05 0.23 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.41 3it6 s VAL 184 N 0.30 3.78 0.24 3.82 1.01 -0.37 -4.61 120.40 124.58 3it6 s VAL 184 Ca -0.05 -0.37 0.10 0.00 0.00 0.00 0.00 61.98 61.67 3it6 s VAL 184 Cb -0.09 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 3it6 s VAL 184 CO 0.00 0.42 -0.11 -0.83 0.00 0.00 0.00 175.10 174.59 3it6 s GLY 185 N 1.19 1.75 -0.18 4.51 0.00 -1.26 0.58 107.32 113.91 3it6 s GLY 185 Ca 0.03 -1.67 -0.16 0.00 0.00 0.00 0.00 44.72 42.92 3it6 s GLY 185 CO 0.01 -1.73 0.47 -0.32 0.00 0.00 0.00 173.10 171.53 3it6 s GLY 186 N -3.31 -0.36 0.04 0.20 0.00 0.17 -4.68 107.32 99.38 3it6 s GLY 186 Ca 0.28 1.37 0.06 0.00 0.00 0.00 0.00 44.72 46.43 3it6 s GLY 186 CO 0.16 1.20 -0.17 -3.16 0.00 0.00 0.00 173.10 171.14 3it6 s MET 187 N 0.34 1.13 0.15 2.90 0.23 -1.26 -1.46 119.30 121.33 3it6 s MET 187 Ca -0.01 -0.84 -0.06 0.00 -1.03 0.00 0.00 55.69 53.75 3it6 s MET 187 Cb -0.04 -1.19 -0.02 0.00 -1.53 0.00 0.00 34.83 32.06 3it6 s MET 187 CO -0.00 0.30 0.19 0.00 -2.03 0.00 0.00 175.02 173.47 3it6 s ALA 188 N -0.83 0.36 0.15 3.16 0.00 -0.72 -5.02 121.76 118.86 3it6 s ALA 188 Ca 0.04 -1.13 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 3it6 s ALA 188 Cb -0.08 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 3it6 s ALA 188 CO 0.02 -0.58 0.07 -1.59 0.00 0.00 0.00 175.76 173.67 3it6 s LYS 189 N -4.00 1.02 0.00 0.00 0.00 -1.26 -3.60 119.74 111.90 3it6 s LYS 189 Ca 0.20 -1.50 0.00 0.00 0.00 0.00 0.00 55.97 54.67 3it6 s LYS 189 Cb 0.05 0.21 0.00 0.00 0.00 0.00 0.00 37.83 38.09 3it6 s LYS 189 CO 0.01 -0.29 0.00 0.41 0.00 0.00 0.00 175.35 175.48 3it6 n GLY 190 N -0.16 3.62 0.00 0.59 0.00 -1.26 -5.07 105.19 102.91 3it6 n GLY 190 Ca -0.03 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3it6 n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3it6 n ALA 191 N 0.00 1.83 -2.25 4.61 0.00 -1.26 -4.98 120.51 118.45 3it6 n ALA 191 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3it6 n ALA 191 Cb 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 19.45 19.52 3it6 n ALA 191 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3it6 s GLY 192 N -2.46 0.37 -1.03 0.00 0.00 -1.26 -4.85 107.32 98.08 3it6 s GLY 192 Ca 0.00 -1.03 -0.14 0.00 0.00 0.00 0.00 44.72 43.56 3it6 s GLY 192 CO 0.00 -1.15 0.78 -0.13 0.00 0.00 0.00 173.10 172.60 3it6 n MET 193 N 0.16 -1.41 -3.53 2.90 0.00 -1.26 -4.99 117.12 109.00 3it6 n MET 193 Ca -0.15 0.71 -0.29 0.00 -0.00 0.00 0.00 57.70 57.97 3it6 n MET 193 Cb 0.61 -4.42 -0.12 0.00 0.00 0.00 0.00 33.22 29.29 3it6 n MET 193 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 3it6 s LEU 194 N -5.78 1.73 -0.47 -0.89 2.96 -1.26 -4.95 118.68 110.01 3it6 s LEU 194 Ca 0.35 -2.62 0.06 0.00 -0.22 0.00 0.00 54.13 51.70 3it6 s LEU 194 Cb -0.11 -0.63 0.24 0.00 0.50 0.00 0.00 46.19 46.19 3it6 s LEU 194 CO 0.83 -0.25 0.83 0.00 -1.32 0.00 0.00 176.35 176.44 3it6 n ALA 195 N 3.48 -0.81 -1.70 5.97 0.00 -1.26 -5.11 120.51 121.07 3it6 n ALA 195 Ca 0.16 -1.71 -0.43 0.00 0.00 0.00 0.00 53.44 51.46 3it6 n ALA 195 Cb 0.39 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 3it6 n ALA 195 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3it6 n PRO 196 N 1.62 2.55 -3.82 0.00 -0.02 -1.26 -4.98 135.00 129.10 3it6 n PRO 196 Ca 0.11 0.92 -0.30 0.00 -2.02 0.00 0.00 63.50 62.21 3it6 n PRO 196 Cb 0.61 -2.73 -0.14 0.00 -0.02 0.00 0.00 33.50 31.23 3it6 n PRO 196 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3it6 s SER 197 N 1.00 4.05 -0.08 2.55 0.15 -1.26 -5.10 113.70 115.01 3it6 s SER 197 Ca 0.75 -2.47 -0.04 0.00 0.70 0.00 0.00 55.95 54.89 3it6 s SER 197 Cb -0.56 -1.24 -0.04 0.00 -1.71 0.00 0.00 66.02 62.47 3it6 s SER 197 CO 0.36 -0.30 0.10 -0.76 1.20 0.00 0.00 173.24 173.84 3it6 s LEU 198 N 0.51 4.08 0.00 3.45 1.02 -1.26 -0.76 118.68 125.72 3it6 s LEU 198 Ca 0.15 0.31 0.00 0.00 0.02 0.00 0.00 54.13 54.61 3it6 s LEU 198 Cb -0.23 -2.11 0.00 0.00 0.02 0.00 0.00 46.19 43.88 3it6 s LEU 198 CO -0.05 0.36 0.00 0.00 0.02 0.00 0.00 176.35 176.67