#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 4.09 -0.02 4.28 2.01 -1.26 -4.46 115.64 120.28 3it6 s THR 8 Ca 0.00 1.62 0.02 0.00 0.31 0.00 0.00 61.69 63.64 3it6 s THR 8 Cb 0.00 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.48 3it6 s THR 8 CO 0.00 0.19 -0.07 -0.13 -0.69 0.00 0.00 174.62 173.92 3it6 s ARG 9 N 0.44 0.76 -0.24 4.92 0.52 0.45 -4.96 118.95 120.84 3it6 s ARG 9 Ca 0.54 -0.24 -0.06 0.00 -0.52 0.00 0.00 55.73 55.45 3it6 s ARG 9 Cb -0.28 -0.73 -0.02 0.00 0.52 0.00 0.00 34.95 34.44 3it6 s ARG 9 CO 0.31 0.09 0.02 -1.17 0.02 0.00 0.00 175.30 174.58 3it6 s LEU 10 N 0.18 3.22 -0.07 2.53 2.96 -1.26 0.26 118.68 126.50 3it6 s LEU 10 Ca -0.02 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 3it6 s LEU 10 Cb -0.07 -1.85 0.02 0.00 0.50 0.00 0.00 46.19 44.79 3it6 s LEU 10 CO 0.00 -0.03 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.14 3it6 s LEU 11 N 1.56 1.52 0.00 -0.68 1.43 0.66 -4.97 118.68 118.20 3it6 s LEU 11 Ca 0.06 -0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 52.74 3it6 s LEU 11 Cb -0.15 -0.75 0.22 0.00 0.03 0.00 0.00 46.19 45.55 3it6 s LEU 11 CO 0.01 -0.00 1.10 0.54 0.23 0.00 0.00 176.35 178.22 3it6 n ARG 12 N 3.99 -1.66 -1.48 1.70 1.74 -1.26 -1.21 116.66 118.48 3it6 n ARG 12 Ca -0.22 -1.71 -0.16 0.00 -0.77 0.00 0.00 57.85 54.98 3it6 n ARG 12 Cb 0.51 -1.27 -0.07 0.00 -1.02 0.00 0.00 32.46 30.62 3it6 n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3it6 n ALA 13 N -4.02 -0.25 -2.98 7.54 0.00 -1.26 -4.89 120.51 114.65 3it6 n ALA 13 Ca -0.19 0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 3it6 n ALA 13 Cb 0.51 -1.91 -0.11 0.00 0.00 0.00 0.00 19.45 17.93 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 -3.38 0.27 0.00 0.00 -0.21 -1.26 -5.05 119.66 110.03 3it6 s GLN 14 Ca 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 55.36 54.98 3it6 s GLN 14 Cb 0.00 0.10 0.00 0.00 1.00 0.00 0.00 33.01 34.11 3it6 s GLN 14 CO 0.00 -0.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.53 3it6 n GLY 15 N 1.96 4.87 0.23 3.09 0.00 -1.26 -0.91 105.19 113.17 3it6 n GLY 15 Ca -0.21 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 -0.63 1.61 -1.51 -1.84 -2.86 116.25 111.01 3it6 h VAL 16 Ca 0.00 -0.73 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 3it6 h VAL 16 Cb 0.00 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 3it6 h VAL 16 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 176.69 3it6 n THR 17 N -3.00 1.49 -0.04 7.19 -2.24 -1.26 -4.35 114.28 112.07 3it6 n THR 17 Ca 0.03 -1.05 -0.15 0.00 -2.27 0.00 0.00 64.05 60.61 3it6 n THR 17 Cb 0.42 0.20 -0.09 0.00 -2.10 0.00 0.00 70.33 68.76 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 4.12 0.17 -2.52 6.98 0.00 -1.79 -3.44 119.26 122.78 3it6 h ALA 18 Ca 0.00 -0.44 -0.50 0.00 0.00 0.00 0.00 54.91 53.97 3it6 h ALA 18 Cb 1.25 -0.02 0.07 0.00 0.00 0.00 0.00 17.79 19.10 3it6 h ALA 18 CO 0.16 0.24 0.41 -2.14 0.00 0.00 0.00 179.25 177.92 3it6 s PRO 19 N -3.76 3.28 0.36 0.00 0.02 -1.26 -4.98 135.00 128.66 3it6 s PRO 19 Ca -0.14 1.51 -0.25 0.00 0.02 0.00 0.00 61.00 62.14 3it6 s PRO 19 Cb 0.05 -2.01 -0.09 0.00 0.02 0.00 0.00 34.50 32.47 3it6 s PRO 19 CO 0.79 -0.89 1.03 0.00 -0.33 0.00 0.00 177.00 177.60 3it6 s ALA 20 N -1.97 3.16 0.00 -1.55 0.00 -1.26 -4.09 121.76 116.06 3it6 s ALA 20 Ca 0.70 0.69 0.00 0.00 0.00 0.00 0.00 51.96 53.35 3it6 s ALA 20 Cb -0.22 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3it6 s ALA 20 CO 0.30 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.36 3it6 n GLY 21 N 0.52 1.05 2.86 0.00 0.00 -1.26 -5.03 105.19 103.33 3it6 n GLY 21 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 0.24 0.20 1.61 0.08 -1.26 0.14 117.98 117.00 3it6 s PHE 22 Ca 0.00 -0.01 0.10 0.00 0.12 0.00 0.00 56.93 57.14 3it6 s PHE 22 Cb 0.00 -0.26 -0.04 0.00 -0.57 0.00 0.00 43.02 42.15 3it6 s PHE 22 CO 0.00 -0.06 -0.11 1.03 -0.10 0.00 0.00 175.22 175.97 3it6 s ARG 23 N 0.50 1.98 0.04 0.44 0.52 -0.09 -4.09 118.95 118.25 3it6 s ARG 23 Ca -0.05 -1.37 -0.17 0.00 -0.52 0.00 0.00 55.73 53.63 3it6 s ARG 23 Cb -0.07 -2.08 0.03 0.00 0.52 0.00 0.00 34.95 33.35 3it6 s ARG 23 CO -0.01 0.41 0.38 0.00 0.02 0.00 0.00 175.30 176.10 3it6 s ALA 24 N -1.85 -0.90 0.19 2.13 0.00 0.01 -0.02 121.76 121.32 3it6 s ALA 24 Ca 0.26 0.22 -0.19 0.00 0.00 0.00 0.00 51.96 52.25 3it6 s ALA 24 Cb -0.08 0.33 0.04 0.00 0.00 0.00 0.00 23.12 23.40 3it6 s ALA 24 CO 0.15 -0.43 0.56 0.00 0.00 0.00 0.00 175.76 176.04 3it6 s ALA 25 N -2.44 -1.14 -0.03 0.00 0.00 -0.71 -2.74 121.76 114.69 3it6 s ALA 25 Ca -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 3it6 s ALA 25 Cb -0.01 0.85 0.03 0.00 0.00 0.00 0.00 23.12 23.99 3it6 s ALA 25 CO -0.02 -0.82 0.06 0.20 0.00 0.00 0.00 175.76 175.18 3it6 s GLY 26 N -2.84 0.06 0.15 0.00 0.00 -1.26 -1.38 107.32 102.04 3it6 s GLY 26 Ca 0.07 0.39 0.06 0.00 0.00 0.00 0.00 44.72 45.25 3it6 s GLY 26 CO -0.05 0.73 -0.14 -1.34 0.00 0.00 0.00 173.10 172.30 3it6 s VAL 27 N 1.02 1.46 -0.31 1.40 -7.23 -0.28 -4.82 120.40 111.64 3it6 s VAL 27 Ca -0.08 -1.87 -0.23 0.00 -1.81 0.00 0.00 61.98 57.98 3it6 s VAL 27 Cb -0.12 -1.71 -0.00 0.00 0.56 0.00 0.00 36.38 35.12 3it6 s VAL 27 CO -0.04 -0.47 0.76 0.00 -0.31 0.00 0.00 175.10 175.05 3it6 s ALA 28 N -2.40 3.53 -0.59 1.32 0.00 -1.26 -1.64 121.76 120.72 3it6 s ALA 28 Ca 0.13 -0.46 0.19 0.00 0.00 0.00 0.00 51.96 51.82 3it6 s ALA 28 Cb -0.03 -3.27 -0.23 0.00 0.00 0.00 0.00 23.12 19.58 3it6 s ALA 28 CO 0.04 -1.19 0.66 0.00 0.00 0.00 0.00 175.76 175.27 3it6 n ALA 29 N 6.16 3.84 -0.47 0.00 0.00 -1.26 -4.96 120.51 123.82 3it6 n ALA 29 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3it6 n ALA 29 Cb 0.48 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.27 3it6 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3it6 n GLY 30 N 1.43 0.76 0.28 0.00 0.00 -1.26 -4.67 105.19 101.73 3it6 n GLY 30 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 1.25 -3.45 -0.61 2.04 -1.92 -3.40 117.51 111.42 3it6 h ILE 31 Ca 0.00 -1.08 -0.60 0.00 1.00 0.00 0.00 64.86 64.18 3it6 h ILE 31 Cb 0.00 0.97 -0.10 0.00 -0.74 0.00 0.00 36.82 36.94 3it6 h ILE 31 CO 0.00 0.37 -0.03 -0.54 0.00 0.00 0.00 178.15 177.95 3it6 s LYS 32 N -4.89 4.20 0.55 2.37 1.02 -1.26 -4.89 119.74 116.84 3it6 s LYS 32 Ca -0.09 0.43 0.28 0.00 0.02 0.00 0.00 55.97 56.61 3it6 s LYS 32 Cb 0.14 -3.56 1.45 0.00 -0.52 0.00 0.00 37.83 35.35 3it6 s LYS 32 CO 0.81 -0.14 1.94 0.00 -0.92 0.00 0.00 175.35 177.05 3it6 h ALA 33 N 7.42 2.53 0.00 5.17 0.00 -1.96 -0.26 119.26 132.16 3it6 h ALA 33 Ca -0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3it6 h ALA 33 Cb 1.15 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3it6 h ALA 33 CO 0.74 -0.81 0.00 0.66 0.00 0.00 0.00 179.25 179.84 3it6 h SER 34 N 0.00 0.00 -0.10 0.00 4.64 -1.94 -3.47 113.55 112.67 3it6 h SER 34 Ca 0.30 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.57 3it6 h SER 34 Cb 1.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 3it6 h SER 34 CO -0.00 0.00 -0.04 0.61 -0.87 0.00 0.00 176.83 176.53 3it6 n GLY 35 N 0.09 0.53 3.85 -0.77 0.00 -0.11 -5.03 105.19 103.75 3it6 n GLY 35 Ca 0.01 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.88 2.51 0.40 4.61 0.00 -1.26 -4.83 121.76 121.30 3it6 s ALA 36 Ca 0.00 -0.42 -0.27 0.00 0.00 0.00 0.00 51.96 51.27 3it6 s ALA 36 Cb 0.00 -3.03 -0.10 0.00 0.00 0.00 0.00 23.12 19.99 3it6 s ALA 36 CO 0.00 -1.59 1.40 1.28 0.00 0.00 0.00 175.76 176.85 3it6 n LEU 37 N -3.30 4.53 0.00 0.00 4.77 -1.26 -4.58 117.00 117.16 3it6 n LEU 37 Ca 0.07 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.23 3it6 n LEU 37 Cb 0.58 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 3it6 n LEU 37 CO 0.57 -0.17 0.00 -0.90 -1.33 0.00 0.00 177.39 175.56 3it6 n ASP 38 N 0.30 0.00 -3.96 -1.43 5.68 -0.65 -4.50 116.55 111.98 3it6 n ASP 38 Ca 0.04 -0.82 -0.27 0.00 -0.50 0.00 0.00 54.79 53.25 3it6 n ASP 38 Cb 0.39 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.20 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 0.00 1.41 0.01 -2.12 2.96 -0.83 -0.53 118.68 119.56 3it6 s LEU 39 Ca 0.00 -0.33 0.08 0.00 -0.22 0.00 0.00 54.13 53.67 3it6 s LEU 39 Cb 0.00 -0.88 -0.02 0.00 0.50 0.00 0.00 46.19 45.78 3it6 s LEU 39 CO 0.00 -0.06 -0.26 0.00 -1.32 0.00 0.00 176.35 174.72 3it6 s ALA 40 N 1.32 2.23 -0.06 5.97 0.00 0.10 -1.13 121.76 130.19 3it6 s ALA 40 Ca -0.02 -1.18 0.04 0.00 0.00 0.00 0.00 51.96 50.80 3it6 s ALA 40 Cb -0.14 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.44 3it6 s ALA 40 CO -0.04 0.53 -0.17 -1.17 0.00 0.00 0.00 175.76 174.91 3it6 s LEU 41 N -0.88 1.88 -0.10 0.00 2.96 -0.48 -0.82 118.68 121.25 3it6 s LEU 41 Ca 0.11 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 3it6 s LEU 41 Cb -0.10 -1.02 -0.00 0.00 0.50 0.00 0.00 46.19 45.56 3it6 s LEU 41 CO 0.00 0.13 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.25 3it6 s VAL 42 N 0.24 2.24 -0.07 1.68 1.01 -0.21 -1.73 120.40 123.56 3it6 s VAL 42 Ca -0.09 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 60.94 3it6 s VAL 42 Cb -0.14 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.40 3it6 s VAL 42 CO 0.04 0.56 -0.09 0.12 0.00 0.00 0.00 175.10 175.72 3it6 s PHE 43 N 0.26 1.26 -0.42 5.22 5.36 0.97 -0.87 117.98 129.77 3it6 s PHE 43 Ca -0.15 -0.48 -0.23 0.00 -0.96 0.00 0.00 56.93 55.11 3it6 s PHE 43 Cb -0.17 -0.99 0.02 0.00 -0.34 0.00 0.00 43.02 41.54 3it6 s PHE 43 CO 0.08 -0.29 0.76 1.21 -1.46 0.00 0.00 175.22 175.52 3it6 s ASN 44 N 0.92 6.44 0.52 6.13 3.84 0.71 -0.92 114.94 132.58 3it6 s ASN 44 Ca -0.10 -0.01 0.33 0.00 0.21 0.00 0.00 52.86 53.29 3it6 s ASN 44 Cb -0.15 -2.38 1.38 0.00 -0.55 0.00 0.00 41.25 39.56 3it6 s ASN 44 CO 0.01 -0.85 1.97 -0.33 -2.79 0.00 0.00 177.10 175.12 3it6 h GLU 45 N 8.83 0.00 0.00 0.43 5.08 -0.61 -3.47 114.58 124.84 3it6 h GLU 45 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3it6 h GLU 45 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3it6 h GLU 45 CO 0.94 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.36 3it6 n GLY 46 N -0.03 -2.44 0.25 -3.84 0.00 -1.26 -4.94 105.19 92.92 3it6 n GLY 46 Ca 0.01 -2.04 0.14 0.00 0.00 0.00 0.00 46.02 44.12 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 0.00 -6.27 1.61 0.13 -1.96 -3.43 132.00 122.08 3it6 h PRO 47 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 3it6 h PRO 47 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3it6 h PRO 47 CO 0.00 0.09 -0.36 -0.51 -0.23 0.00 0.00 178.00 176.99 3it6 s ASP 48 N -5.94 6.32 -0.03 1.44 1.01 -1.26 -5.04 116.67 113.17 3it6 s ASP 48 Ca 0.02 0.21 0.12 0.00 0.71 0.00 0.00 52.55 53.60 3it6 s ASP 48 Cb 0.09 -1.92 0.21 0.00 1.01 0.00 0.00 42.92 42.30 3it6 s ASP 48 CO 0.59 -0.12 1.09 -1.22 0.21 0.00 0.00 175.17 175.72 3it6 n TYR 49 N -1.38 0.00 -1.94 4.23 4.01 -1.26 -4.89 117.16 115.94 3it6 n TYR 49 Ca -0.07 -0.37 -0.41 0.00 -0.16 0.00 0.00 57.90 56.88 3it6 n TYR 49 Cb 0.56 -0.11 -0.01 0.00 -0.31 0.00 0.00 39.34 39.47 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 -0.51 3.54 0.06 -0.72 0.00 -1.26 -1.32 121.76 121.56 3it6 s ALA 50 Ca 0.17 1.44 -0.09 0.00 0.00 0.00 0.00 51.96 53.49 3it6 s ALA 50 Cb 0.19 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.75 3it6 s ALA 50 CO -0.06 -0.88 0.18 0.00 0.00 0.00 0.00 175.76 175.00 3it6 s ALA 51 N -1.13 -0.27 0.04 0.00 0.00 -0.51 -4.77 121.76 115.13 3it6 s ALA 51 Ca 0.51 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.99 3it6 s ALA 51 Cb -0.44 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 3it6 s ALA 51 CO 0.59 -0.41 0.04 0.00 0.00 0.00 0.00 175.76 175.98 3it6 s ALA 52 N -3.06 0.13 -0.04 0.00 0.00 -1.26 -4.61 121.76 112.92 3it6 s ALA 52 Ca -0.01 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.14 3it6 s ALA 52 Cb 0.01 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.39 3it6 s ALA 52 CO -0.07 -0.32 0.14 0.20 0.00 0.00 0.00 175.76 175.72 3it6 s GLY 53 N -2.28 -0.06 0.07 0.00 0.00 -1.26 -5.15 107.32 98.64 3it6 s GLY 53 Ca -0.03 0.24 0.07 0.00 0.00 0.00 0.00 44.72 45.00 3it6 s GLY 53 CO -0.06 0.16 -0.18 -1.34 0.00 0.00 0.00 173.10 171.68 3it6 s VAL 54 N -0.38 1.46 0.10 1.40 -7.23 -1.26 -5.00 120.40 109.49 3it6 s VAL 54 Ca -0.05 -1.31 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 3it6 s VAL 54 Cb -0.03 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 3it6 s VAL 54 CO 0.01 -0.02 -0.03 -0.36 -0.31 0.00 0.00 175.10 174.39 3it6 s PHE 55 N -1.04 0.85 0.24 2.82 0.40 0.80 -4.84 117.98 117.21 3it6 s PHE 55 Ca 0.04 -1.01 -0.31 0.00 -0.60 0.00 0.00 56.93 55.05 3it6 s PHE 55 Cb -0.09 -0.51 -0.14 0.00 0.51 0.00 0.00 43.02 42.79 3it6 s PHE 55 CO 0.03 -0.27 1.34 -2.37 0.70 0.00 0.00 175.22 174.66 3it6 n THR 56 N -0.05 1.11 1.53 0.64 5.66 -1.26 -0.74 114.28 121.18 3it6 n THR 56 Ca -0.11 -0.28 0.13 0.00 -3.05 0.00 0.00 64.05 60.75 3it6 n THR 56 Cb 0.62 -1.38 0.55 0.00 -1.55 0.00 0.00 70.33 68.57 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 1.77 1.56 -1.58 1.09 1.74 0.20 -4.81 116.66 116.63 3it6 n ARG 57 Ca 0.11 -0.82 -0.47 0.00 -0.77 0.00 0.00 57.85 55.90 3it6 n ARG 57 Cb 0.31 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 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 0.00 1.31 0.22 0.55 2.85 -1.26 -4.88 115.26 114.06 3it6 n ASN 58 Ca 0.19 1.16 0.12 0.00 -0.11 0.00 0.00 54.58 55.93 3it6 n ASN 58 Cb 0.30 -1.25 0.21 0.00 1.24 0.00 0.00 39.78 40.29 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 2.82 0.00 -4.91 1.20 4.20 -2.02 -3.37 115.11 113.02 3it6 h GLN 59 Ca -0.41 0.00 -0.69 0.00 0.06 0.00 0.00 58.65 57.61 3it6 h GLN 59 Cb 1.34 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.94 3it6 h GLN 59 CO 0.66 0.04 0.05 0.08 -0.67 0.00 0.00 178.83 179.00 3it6 s VAL 60 N -3.24 4.87 -0.17 -0.54 1.01 -1.26 -5.04 120.40 116.03 3it6 s VAL 60 Ca 0.06 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 3it6 s VAL 60 Cb 0.06 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 3it6 s VAL 60 CO 0.66 -0.85 -0.01 -0.54 0.00 0.00 0.00 175.10 174.36 3it6 s LYS 61 N 2.63 3.74 0.63 2.72 1.02 -1.26 -5.06 119.74 124.16 3it6 s LYS 61 Ca 0.14 -0.47 -0.18 0.00 0.02 0.00 0.00 55.97 55.48 3it6 s LYS 61 Cb -0.20 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 34.07 3it6 s LYS 61 CO 0.11 0.22 1.20 0.00 -0.92 0.00 0.00 175.35 175.96 3it6 n ALA 62 N 3.64 0.89 -0.27 5.17 0.00 -1.26 -4.78 120.51 123.90 3it6 n ALA 62 Ca -0.17 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.36 3it6 n ALA 62 Cb 0.52 -2.26 0.22 0.00 0.00 0.00 0.00 19.45 17.93 3it6 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3it6 h ALA 63 N 0.57 1.06 -0.88 0.00 0.00 -1.80 -0.58 119.26 117.62 3it6 h ALA 63 Ca -0.50 0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.68 3it6 h ALA 63 Cb 1.35 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 19.38 3it6 h ALA 63 CO 0.53 -0.41 0.55 -1.00 0.00 0.00 0.00 179.25 178.92 3it6 h PRO 64 N 0.21 0.98 -0.47 0.00 0.13 -1.85 -0.01 132.00 131.00 3it6 h PRO 64 Ca 0.47 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.53 3it6 h PRO 64 Cb 0.88 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 3it6 h PRO 64 CO -0.60 0.65 0.25 0.28 -0.23 0.00 0.00 178.00 178.35 3it6 h VAL 65 N 1.01 1.17 -0.60 1.56 2.07 -1.37 -0.75 116.25 119.34 3it6 h VAL 65 Ca 0.38 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3it6 h VAL 65 Cb 0.17 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3it6 h VAL 65 CO -0.17 0.18 0.29 -0.07 0.02 0.00 0.00 177.57 177.82 3it6 h LEU 66 N 0.61 0.78 0.29 2.57 3.38 -0.93 -0.98 115.31 121.04 3it6 h LEU 66 Ca 0.16 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3it6 h LEU 66 Cb 0.06 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3it6 h LEU 66 CO -0.03 0.69 -0.14 -0.25 0.09 0.00 0.00 178.44 178.80 3it6 h TRP 67 N 0.82 -0.37 -0.23 1.13 2.91 -0.88 -3.13 115.95 116.20 3it6 h TRP 67 Ca 0.21 -0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.17 3it6 h TRP 67 Cb 0.11 0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 28.87 3it6 h TRP 67 CO -0.00 -0.12 -0.06 1.15 -1.03 0.00 0.00 178.44 178.37 3it6 h THR 68 N -0.56 1.18 -0.85 2.65 2.02 -1.02 -1.62 112.91 114.71 3it6 h THR 68 Ca -0.04 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.40 3it6 h THR 68 Cb 0.41 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 3it6 h THR 68 CO 0.07 0.24 0.54 1.56 0.37 0.00 0.00 175.52 178.30 3it6 h GLN 69 N 0.34 1.14 -0.10 6.66 4.20 -1.20 -0.93 115.11 125.21 3it6 h GLN 69 Ca 0.07 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 3it6 h GLN 69 Cb 0.33 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 3it6 h GLN 69 CO 0.02 0.78 -0.06 1.96 -0.67 0.00 0.00 178.83 180.85 3it6 h GLN 70 N 1.16 0.22 -0.82 1.46 4.20 -1.34 -3.13 115.11 116.86 3it6 h GLN 70 Ca 0.31 -0.10 0.14 0.00 0.06 0.00 0.00 58.65 59.06 3it6 h GLN 70 Cb -0.09 -0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.59 3it6 h GLN 70 CO -0.06 0.59 0.40 0.28 -0.67 0.00 0.00 178.83 179.37 3it6 h VAL 71 N -0.14 0.71 0.00 -0.54 2.07 -1.24 -2.41 116.25 114.69 3it6 h VAL 71 Ca 0.02 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3it6 h VAL 71 Cb 0.52 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3it6 h VAL 71 CO 0.02 0.11 0.00 0.18 0.02 0.00 0.00 177.57 177.89 3it6 n LEU 72 N -4.90 0.00 0.30 2.57 7.99 -0.36 -2.73 117.00 119.87 3it6 n LEU 72 Ca 0.16 0.41 0.19 0.00 -0.01 0.00 0.00 56.01 56.76 3it6 n LEU 72 Cb 0.43 -0.41 0.89 0.00 -0.11 0.00 0.00 43.42 44.22 3it6 n LEU 72 CO 0.20 -0.13 1.06 0.71 -1.51 0.00 0.00 177.39 177.73 3it6 h THR 73 N 0.00 0.06 0.00 -5.08 1.35 -1.45 -1.46 112.91 106.32 3it6 h THR 73 Ca 0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3it6 h THR 73 Cb 0.28 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3it6 h THR 73 CO 0.00 0.01 0.00 0.71 -0.25 0.00 0.00 175.52 175.99 3it6 h THR 74 N 0.00 0.00 -0.95 6.82 1.35 -1.71 -3.47 112.91 114.95 3it6 h THR 74 Ca -0.00 -0.60 -0.36 0.00 -0.55 0.00 0.00 66.41 64.90 3it6 h THR 74 Cb 0.31 1.56 -0.13 0.00 -1.73 0.00 0.00 68.15 68.16 3it6 h THR 74 CO 0.00 0.00 -0.34 0.61 -0.25 0.00 0.00 175.52 175.55 3it6 n GLY 75 N 0.93 1.59 2.96 5.82 0.00 -0.55 -4.98 105.19 110.96 3it6 n GLY 75 Ca 0.04 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 3it6 n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3it6 s ARG 76 N -3.59 1.49 -0.01 1.61 3.52 -1.26 -1.43 118.95 119.29 3it6 s ARG 76 Ca 0.00 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.29 3it6 s ARG 76 Cb 0.00 -1.36 0.01 0.00 -1.56 0.00 0.00 34.95 32.04 3it6 s ARG 76 CO 0.00 -0.08 0.00 -0.51 -0.81 0.00 0.00 175.30 173.90 3it6 s LEU 77 N 1.03 1.67 -0.20 -0.88 1.43 -0.43 -4.76 118.68 116.55 3it6 s LEU 77 Ca -0.08 0.00 0.17 0.00 -1.03 0.00 0.00 54.13 53.19 3it6 s LEU 77 Cb -0.15 -0.06 -0.24 0.00 0.03 0.00 0.00 46.19 45.78 3it6 s LEU 77 CO -0.01 -0.04 0.06 -1.14 0.23 0.00 0.00 176.35 175.45 3it6 n ARG 78 N 3.47 0.73 -3.74 1.70 0.63 0.39 -4.71 116.66 115.12 3it6 n ARG 78 Ca -0.18 -0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.63 3it6 n ARG 78 Cb 0.56 -1.51 -0.07 0.00 0.45 0.00 0.00 32.46 31.89 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 -2.48 -0.73 -0.15 5.13 0.00 -1.08 -0.21 121.76 122.24 3it6 s ALA 79 Ca -0.11 0.06 0.02 0.00 0.00 0.00 0.00 51.96 51.93 3it6 s ALA 79 Cb 0.06 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.51 3it6 s ALA 79 CO 0.81 -0.41 -0.20 0.08 0.00 0.00 0.00 175.76 176.04 3it6 s VAL 80 N -2.50 1.93 -0.20 0.00 1.01 -0.05 -0.83 120.40 119.75 3it6 s VAL 80 Ca -0.05 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 3it6 s VAL 80 Cb -0.01 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 3it6 s VAL 80 CO -0.03 0.52 0.01 -0.51 0.00 0.00 0.00 175.10 175.10 3it6 s ILE 81 N 1.05 4.08 -0.06 2.22 1.10 0.56 -1.04 121.20 129.10 3it6 s ILE 81 Ca -0.02 -0.27 0.02 0.00 -0.51 0.00 0.00 60.65 59.86 3it6 s ILE 81 Cb -0.14 -2.85 0.02 0.00 0.15 0.00 0.00 42.46 39.63 3it6 s ILE 81 CO -0.06 0.42 -0.09 -0.76 -2.11 0.00 0.00 174.94 172.34 3it6 s LEU 82 N 1.01 1.50 -0.00 8.50 1.02 0.00 -0.55 118.68 130.16 3it6 s LEU 82 Ca 0.02 -0.25 0.06 0.00 0.02 0.00 0.00 54.13 53.98 3it6 s LEU 82 Cb -0.14 -0.71 -0.03 0.00 0.02 0.00 0.00 46.19 45.32 3it6 s LEU 82 CO 0.02 -0.01 -0.17 0.54 0.02 0.00 0.00 176.35 176.75 3it6 s ASN 83 N 0.85 3.82 0.36 2.29 4.22 -0.75 0.02 114.94 125.75 3it6 s ASN 83 Ca -0.12 -0.34 0.04 0.00 -2.14 0.00 0.00 52.86 50.31 3it6 s ASN 83 Cb -0.15 -0.68 0.06 0.00 1.28 0.00 0.00 41.25 41.76 3it6 s ASN 83 CO 0.01 0.30 0.44 -1.54 -2.04 0.00 0.00 177.10 174.27 3it6 n SER 84 N 1.94 0.99 -0.37 3.54 3.41 0.31 -1.34 113.62 122.10 3it6 n SER 84 Ca -0.16 -1.74 -0.05 0.00 -0.26 0.00 0.00 58.87 56.66 3it6 n SER 84 Cb 0.52 -0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 64.20 3it6 n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3it6 n GLY 85 N 1.29 0.74 0.00 5.00 0.00 -0.88 -4.81 105.19 106.53 3it6 n GLY 85 Ca 0.08 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.02 2.59 0.24 -0.02 0.00 0.04 -4.76 105.19 101.26 3it6 n GLY 86 Ca -0.05 0.19 0.15 0.00 0.00 0.00 0.00 46.02 46.31 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 1.00 -6.69 4.61 0.00 -1.46 -3.01 119.26 113.70 3it6 h ALA 87 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3it6 h ALA 87 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.65 3it6 h ALA 87 CO 0.00 0.00 -0.88 -1.71 0.00 0.00 0.00 179.25 176.66 3it6 n ASN 88 N -3.04 -1.31 -4.53 0.00 5.15 -1.26 -4.50 115.26 105.77 3it6 n ASN 88 Ca 0.02 -1.05 -0.31 0.00 -0.60 0.00 0.00 54.58 52.64 3it6 n ASN 88 Cb 0.41 -2.71 -0.11 0.00 -0.53 0.00 0.00 39.78 36.84 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 -3.75 2.81 -1.25 5.20 0.00 -1.26 -2.60 121.76 120.91 3it6 s ALA 89 Ca 0.30 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 3it6 s ALA 89 Cb -0.17 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.02 3it6 s ALA 89 CO 0.92 0.60 0.85 0.00 0.00 0.00 0.00 175.76 178.13 3it6 n THR 91 N -4.20 0.49 -4.78 0.00 -2.24 -1.26 -4.55 114.28 97.74 3it6 n THR 91 Ca -0.29 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 3it6 n THR 91 Cb 0.67 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 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 -0.25 0.15 0.35 3.38 0.00 -1.26 -1.22 105.19 106.34 3it6 n GLY 92 Ca 0.00 -0.96 0.05 0.00 0.00 0.00 0.00 46.02 45.11 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 0.80 -0.66 1.61 0.11 -2.00 -1.20 132.00 130.67 3it6 h PRO 93 Ca 0.00 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.99 3it6 h PRO 93 Cb 0.00 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 30.90 3it6 h PRO 93 CO 0.00 0.53 0.15 0.00 -0.21 0.00 0.00 178.00 178.47 3it6 h ALA 94 N 1.59 0.87 -0.70 -0.75 0.00 -2.00 -0.01 119.26 118.26 3it6 h ALA 94 Ca 0.30 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3it6 h ALA 94 Cb 0.16 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3it6 h ALA 94 CO -0.09 0.60 0.44 0.78 0.00 0.00 0.00 179.25 180.97 3it6 h GLY 95 N 0.99 1.02 1.04 0.00 0.00 -0.23 -1.25 103.07 104.64 3it6 h GLY 95 Ca 0.21 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 3it6 h GLY 95 CO 0.00 0.27 0.18 -2.75 0.00 0.00 0.00 176.54 174.24 3it6 h PHE 96 N 0.85 1.09 -0.55 5.60 3.57 -0.78 -2.41 116.94 124.31 3it6 h PHE 96 Ca 0.29 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.67 3it6 h PHE 96 Cb 0.04 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 3it6 h PHE 96 CO -0.04 0.90 0.36 0.00 -2.23 0.00 0.00 178.31 177.29 3it6 h ALA 97 N 1.07 1.61 -0.41 2.41 0.00 -0.54 -1.39 119.26 122.02 3it6 h ALA 97 Ca 0.21 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3it6 h ALA 97 Cb 0.34 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3it6 h ALA 97 CO -0.00 0.36 -0.10 -0.44 0.00 0.00 0.00 179.25 179.07 3it6 h ASP 98 N 0.74 0.70 -0.17 0.00 3.32 -0.77 -1.24 116.42 118.99 3it6 h ASP 98 Ca 0.20 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3it6 h ASP 98 Cb -0.09 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 3it6 h ASP 98 CO -0.04 0.84 -0.06 0.74 -1.72 0.00 0.00 179.24 178.99 3it6 h THR 99 N 0.65 1.30 -0.71 0.35 2.02 -0.97 -1.78 112.91 113.78 3it6 h THR 99 Ca 0.11 -1.06 0.09 0.00 0.77 0.00 0.00 66.41 66.32 3it6 h THR 99 Cb 0.56 1.64 -0.07 0.00 -1.74 0.00 0.00 68.15 68.53 3it6 h THR 99 CO 0.03 0.32 0.35 -0.74 0.37 0.00 0.00 175.52 175.85 3it6 h HIS 100 N 0.05 0.62 -0.07 3.16 -0.00 -1.16 -1.64 115.15 116.10 3it6 h HIS 100 Ca 0.04 0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.32 3it6 h HIS 100 Cb 0.52 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.74 3it6 h HIS 100 CO 0.06 0.22 -0.50 0.00 -0.00 0.00 0.00 177.93 177.70 3it6 h ALA 101 N 1.43 1.02 0.07 5.26 0.00 -1.14 -0.77 119.26 125.13 3it6 h ALA 101 Ca 0.35 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3it6 h ALA 101 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3it6 h ALA 101 CO -0.27 0.65 -0.03 1.15 0.00 0.00 0.00 179.25 180.75 3it6 h THR 102 N 0.15 1.03 -0.86 0.00 2.02 -0.71 0.63 112.91 115.16 3it6 h THR 102 Ca 0.01 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 66.91 3it6 h THR 102 Cb 0.94 1.23 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 3it6 h THR 102 CO 0.08 0.08 0.55 0.00 0.37 0.00 0.00 175.52 176.60 3it6 h ALA 103 N 0.70 1.15 -0.48 6.16 0.00 -1.17 -0.48 119.26 125.14 3it6 h ALA 103 Ca -0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3it6 h ALA 103 Cb 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3it6 h ALA 103 CO 0.01 0.37 0.06 1.49 0.00 0.00 0.00 179.25 181.19 3it6 h GLU 104 N 1.06 0.80 -0.36 0.00 4.57 -0.99 0.60 114.58 120.26 3it6 h GLU 104 Ca 0.35 -0.22 -0.04 0.00 -1.18 0.00 0.00 59.36 58.26 3it6 h GLU 104 Cb 0.04 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3it6 h GLU 104 CO -0.13 0.82 0.06 0.00 -1.18 0.00 0.00 179.01 178.58 3it6 h ALA 105 N 0.95 0.48 -0.63 2.92 0.00 -0.58 -0.83 119.26 121.58 3it6 h ALA 105 Ca 0.14 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.93 3it6 h ALA 105 Cb 0.42 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3it6 h ALA 105 CO 0.01 0.19 0.29 0.28 0.00 0.00 0.00 179.25 180.02 3it6 h VAL 106 N 0.44 0.84 -0.51 0.00 2.07 -0.93 0.13 116.25 118.30 3it6 h VAL 106 Ca 0.11 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.34 3it6 h VAL 106 Cb 0.36 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3it6 h VAL 106 CO 0.01 0.09 -0.14 0.00 0.02 0.00 0.00 177.57 177.55 3it6 h ALA 107 N 1.39 0.70 -0.18 1.67 0.00 -0.67 -1.85 119.26 120.33 3it6 h ALA 107 Ca 0.31 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3it6 h ALA 107 Cb 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3it6 h ALA 107 CO -0.26 0.64 0.07 0.00 0.00 0.00 0.00 179.25 179.69 3it6 h ALA 108 N 0.90 0.23 -0.56 0.00 0.00 -0.96 -1.68 119.26 117.19 3it6 h ALA 108 Ca 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3it6 h ALA 108 Cb 0.71 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3it6 h ALA 108 CO 0.05 -0.17 0.33 0.00 0.00 0.00 0.00 179.25 179.45 3it6 h ALA 109 N 0.90 0.71 -0.10 0.00 0.00 -0.70 -1.17 119.26 118.91 3it6 h ALA 109 Ca 0.06 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3it6 h ALA 109 Cb 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3it6 h ALA 109 CO -0.00 0.21 -0.25 -0.07 0.00 0.00 0.00 179.25 179.13 3it6 h LEU 110 N 0.75 0.18 -0.04 0.00 3.38 -1.36 -0.63 115.31 117.59 3it6 h LEU 110 Ca 0.20 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3it6 h LEU 110 Cb 0.01 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3it6 h LEU 110 CO -0.04 0.43 -0.03 0.28 0.09 0.00 0.00 178.44 179.18 3it6 h SER 111 N 0.17 0.10 -0.66 -0.43 0.02 -0.93 -0.83 113.55 110.98 3it6 h SER 111 Ca 0.03 -0.44 0.10 0.00 -0.84 0.00 0.00 61.79 60.64 3it6 h SER 111 Cb 0.54 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.98 3it6 h SER 111 CO 0.04 0.52 0.28 0.44 -1.14 0.00 0.00 176.83 176.97 3it6 h ASP 112 N -0.32 0.32 -0.16 3.07 3.32 -1.12 -2.01 116.42 119.53 3it6 h ASP 112 Ca 0.01 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3it6 h ASP 112 Cb 0.48 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3it6 h ASP 112 CO 0.01 0.18 0.07 -0.25 -1.72 0.00 0.00 179.24 177.53 3it6 h TRP 113 N 0.49 0.27 0.00 4.55 7.01 -1.03 -3.46 115.95 123.78 3it6 h TRP 113 Ca 0.33 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.33 3it6 h TRP 113 Cb 0.40 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.37 3it6 h TRP 113 CO -0.14 0.23 0.00 0.41 -2.79 0.00 0.00 178.44 176.15 3it6 n GLY 114 N -1.34 -0.12 2.76 2.65 0.00 -0.75 -5.08 105.19 103.31 3it6 n GLY 114 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.32 0.47 0.10 2.61 2.01 -0.39 -5.02 115.64 115.10 3it6 s THR 115 Ca 0.00 -0.17 -0.31 0.00 0.31 0.00 0.00 61.69 61.52 3it6 s THR 115 Cb 0.00 -0.76 -0.10 0.00 0.01 0.00 0.00 72.50 71.65 3it6 s THR 115 CO 0.00 0.08 1.84 -0.70 -0.69 0.00 0.00 174.62 175.15 3it6 s GLU 116 N 1.91 4.14 -0.06 4.92 2.56 -1.26 -2.91 118.70 128.01 3it6 s GLU 116 Ca 0.03 2.58 -0.05 0.00 0.00 0.00 0.00 54.97 57.53 3it6 s GLU 116 Cb -0.14 -3.69 0.02 0.00 2.00 0.00 0.00 34.13 32.32 3it6 s GLU 116 CO -0.07 -0.86 0.15 0.99 -0.56 0.00 0.00 175.26 174.92 3it6 s THR 117 N 3.03 -0.01 0.18 -1.70 2.01 -1.26 -4.96 115.64 112.93 3it6 s THR 117 Ca 0.82 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.92 3it6 s THR 117 Cb -0.45 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 3it6 s THR 117 CO 0.37 0.02 0.13 -0.83 -0.69 0.00 0.00 174.62 173.62 3it6 s GLY 118 N 0.38 1.66 0.36 4.40 0.00 -1.26 -4.56 107.32 108.29 3it6 s GLY 118 Ca -0.02 -1.28 0.12 0.00 0.00 0.00 0.00 44.72 43.54 3it6 s GLY 118 CO -0.02 -1.30 1.79 0.00 0.00 0.00 0.00 173.10 173.57 3it6 h ALA 119 N 2.26 1.95 0.00 3.20 0.00 -1.90 -0.05 119.26 124.72 3it6 h ALA 119 Ca -0.48 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3it6 h ALA 119 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3it6 h ALA 119 CO 0.62 -0.33 0.00 1.51 0.00 0.00 0.00 179.25 181.05 3it6 n ILE 120 N -4.68 1.30 -0.12 0.00 0.00 -1.26 -0.82 119.36 113.77 3it6 n ILE 120 Ca 0.23 0.64 0.11 0.00 0.00 0.00 0.00 62.75 63.74 3it6 n ILE 120 Cb 0.70 -1.64 0.27 0.00 0.00 0.00 0.00 39.64 38.97 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 -2.04 2.63 -3.95 9.51 1.02 -0.03 -4.84 120.64 122.94 3it6 n GLU 121 Ca -0.01 -2.46 -0.35 0.00 -0.02 0.00 0.00 57.16 54.32 3it6 n GLU 121 Cb 0.03 -1.52 -0.14 0.00 -0.02 0.00 0.00 31.44 29.79 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 -1.16 3.01 0.23 2.62 1.01 0.00 -0.46 120.40 125.65 3it6 s VAL 122 Ca 0.43 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 61.38 3it6 s VAL 122 Cb 0.23 -2.43 -0.09 0.00 0.00 0.00 0.00 36.38 34.09 3it6 s VAL 122 CO 0.31 0.33 0.82 0.00 0.00 0.00 0.00 175.10 176.55 3it6 s ALA 123 N 1.39 3.36 -0.07 5.51 0.00 -0.01 -4.92 121.76 127.03 3it6 s ALA 123 Ca 0.03 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.37 3it6 s ALA 123 Cb -0.15 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 19.99 3it6 s ALA 123 CO -0.05 0.27 -0.13 0.08 0.00 0.00 0.00 175.76 175.92 3it6 s VAL 124 N -1.41 1.23 0.09 0.00 1.01 -1.26 -0.32 120.40 119.75 3it6 s VAL 124 Ca 0.42 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.94 3it6 s VAL 124 Cb -0.20 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 3it6 s VAL 124 CO 0.24 0.37 -0.17 0.00 0.00 0.00 0.00 175.10 175.54 3it6 s SER 126 N -1.94 0.66 -0.17 0.00 0.01 -1.26 -1.82 113.70 109.18 3it6 s SER 126 Ca 0.04 -0.87 -0.23 0.00 1.31 0.00 0.00 55.95 56.20 3it6 s SER 126 Cb -0.09 0.14 0.06 0.00 0.21 0.00 0.00 66.02 66.34 3it6 s SER 126 CO 0.03 -0.47 0.60 0.28 0.41 0.00 0.00 173.24 174.09 3it6 s THR 127 N -3.17 0.00 -3.92 1.44 -1.32 -0.45 -4.80 115.64 103.42 3it6 s THR 127 Ca 0.03 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 3it6 s THR 127 Cb 0.02 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 70.15 3it6 s THR 127 CO -0.06 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 172.94 3it6 n GLY 128 N 2.22 0.42 3.77 6.08 0.00 -1.26 -0.78 105.19 115.64 3it6 n GLY 128 Ca -0.16 -1.35 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 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 4.33 0.08 0.99 1.02 -1.26 -4.14 118.68 119.71 3it6 s LEU 129 Ca 0.00 2.48 -0.27 0.00 0.02 0.00 0.00 54.13 56.35 3it6 s LEU 129 Cb 0.00 -3.82 -0.06 0.00 0.02 0.00 0.00 46.19 42.33 3it6 s LEU 129 CO 0.00 -0.56 0.86 -0.63 0.02 0.00 0.00 176.35 176.04 3it6 s ILE 130 N -1.27 4.60 0.00 -0.59 1.01 -1.26 -1.84 121.20 121.85 3it6 s ILE 130 Ca 0.52 1.84 0.00 0.00 0.00 0.00 0.00 60.65 63.02 3it6 s ILE 130 Cb -0.35 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 37.91 3it6 s ILE 130 CO 0.45 0.35 0.00 0.61 0.00 0.00 0.00 174.94 176.35 3it6 n GLY 131 N 2.27 2.20 3.77 6.18 0.00 -0.50 -5.00 105.19 114.11 3it6 n GLY 131 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.53 7.45 0.46 1.61 1.11 -1.26 -4.82 116.67 120.68 3it6 s ASP 132 Ca 0.00 1.88 -0.21 0.00 0.18 0.00 0.00 52.55 54.41 3it6 s ASP 132 Cb 0.00 -2.59 -0.10 0.00 1.07 0.00 0.00 42.92 41.30 3it6 s ASP 132 CO 0.00 0.01 0.99 -0.13 1.18 0.00 0.00 175.17 177.22 3it6 s ARG 133 N -1.73 4.02 0.31 8.23 1.81 -1.26 -4.31 118.95 126.02 3it6 s ARG 133 Ca 0.47 1.23 -0.27 0.00 -1.72 0.00 0.00 55.73 55.44 3it6 s ARG 133 Cb -0.21 -2.14 -0.10 0.00 -0.45 0.00 0.00 34.95 32.05 3it6 s ARG 133 CO 0.27 -0.22 0.97 -0.51 -0.68 0.00 0.00 175.30 175.13 3it6 s LEU 134 N -3.34 4.39 -0.99 2.53 1.43 -1.26 -4.99 118.68 116.45 3it6 s LEU 134 Ca 0.64 1.92 -0.23 0.00 -1.03 0.00 0.00 54.13 55.44 3it6 s LEU 134 Cb -0.12 -3.93 0.06 0.00 0.03 0.00 0.00 46.19 42.23 3it6 s LEU 134 CO 0.17 -0.09 1.40 -2.16 0.23 0.00 0.00 176.35 175.89 3it6 s PRO 135 N -1.89 3.56 0.26 1.29 0.04 -1.26 -4.88 135.00 132.13 3it6 s PRO 135 Ca 0.49 -1.15 -0.05 0.00 0.04 0.00 0.00 61.00 60.33 3it6 s PRO 135 Cb -0.22 -5.23 0.31 0.00 0.04 0.00 0.00 34.50 29.41 3it6 s PRO 135 CO 0.27 -2.15 1.93 0.52 0.04 0.00 0.00 177.00 177.62 3it6 h MET 136 N 9.69 1.24 -0.82 4.56 2.86 -1.98 -1.40 114.93 129.08 3it6 h MET 136 Ca 0.16 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3it6 h MET 136 Cb 1.01 -0.28 -0.04 0.00 0.06 0.00 0.00 31.60 32.36 3it6 h MET 136 CO 1.38 0.83 0.52 -0.44 1.06 0.00 0.00 176.91 180.26 3it6 h ASP 137 N 1.28 0.97 -0.19 1.22 3.32 -1.99 0.34 116.42 121.37 3it6 h ASP 137 Ca 0.34 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 3it6 h ASP 137 Cb -0.13 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.18 3it6 h ASP 137 CO -0.07 0.73 -0.24 0.11 -1.72 0.00 0.00 179.24 178.04 3it6 h LYS 138 N 1.12 0.49 0.11 3.56 1.57 -1.73 -2.40 116.57 119.29 3it6 h LYS 138 Ca 0.30 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3it6 h LYS 138 Cb -0.09 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 3it6 h LYS 138 CO -0.06 0.87 -0.07 1.25 -0.57 0.00 0.00 179.45 180.87 3it6 h LEU 139 N 0.15 -0.16 -1.30 2.94 6.46 -0.97 -0.87 115.31 121.55 3it6 h LEU 139 Ca 0.02 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.72 3it6 h LEU 139 Cb 0.80 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 3it6 h LEU 139 CO 0.06 -0.11 -0.35 -0.07 -0.62 0.00 0.00 178.44 177.35 3it6 h LEU 140 N -0.17 0.00 -0.38 2.25 3.38 -0.38 -0.44 115.31 119.57 3it6 h LEU 140 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3it6 h LEU 140 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3it6 h LEU 140 CO 0.01 0.35 -0.18 0.00 0.09 0.00 0.00 178.44 178.71 3it6 h ALA 141 N 1.65 0.54 -0.70 1.53 0.00 -1.25 -3.05 119.26 117.98 3it6 h ALA 141 Ca -0.00 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.58 3it6 h ALA 141 Cb 0.63 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3it6 h ALA 141 CO 0.05 0.48 0.44 0.78 0.00 0.00 0.00 179.25 181.00 3it6 h GLY 142 N 0.60 1.01 0.21 0.00 0.00 -0.21 -2.48 103.07 102.20 3it6 h GLY 142 Ca 0.09 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.11 3it6 h GLY 142 CO 0.06 0.29 -0.38 -2.08 0.00 0.00 0.00 176.54 174.43 3it6 h VAL 143 N 0.87 0.22 -0.65 4.60 2.07 -1.09 0.16 116.25 122.44 3it6 h VAL 143 Ca 0.28 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.94 3it6 h VAL 143 Cb 0.01 0.22 -0.10 0.00 -1.52 0.00 0.00 31.29 29.89 3it6 h VAL 143 CO -0.11 0.00 0.05 0.00 0.02 0.00 0.00 177.57 177.53 3it6 h ALA 144 N 0.10 0.69 0.00 1.67 0.00 -1.44 -2.55 119.26 117.74 3it6 h ALA 144 Ca 0.06 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3it6 h ALA 144 Cb 0.61 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3it6 h ALA 144 CO -0.30 -0.38 -0.00 1.25 0.00 0.00 0.00 179.25 179.82 3it6 h HIS 145 N 0.16 -0.00 0.00 0.00 6.17 -0.89 -3.20 115.15 117.39 3it6 h HIS 145 Ca 0.34 -0.00 -0.08 0.00 0.71 0.00 0.00 60.37 61.34 3it6 h HIS 145 Cb 0.56 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.48 3it6 h HIS 145 CO -0.34 0.11 -0.38 -0.24 0.71 0.00 0.00 177.93 177.80 3it6 h VAL 146 N -0.12 1.19 -0.06 5.26 3.04 -0.40 -1.91 116.25 123.26 3it6 h VAL 146 Ca -0.00 -1.34 -0.08 0.00 -1.01 0.00 0.00 66.70 64.27 3it6 h VAL 146 Cb 0.12 1.74 -0.01 0.00 -2.01 0.00 0.00 31.29 31.12 3it6 h VAL 146 CO 0.00 0.37 -0.35 0.58 -1.01 0.00 0.00 177.57 177.16 3it6 h VAL 147 N 0.00 1.27 0.00 1.51 2.07 -1.49 -2.60 116.25 117.01 3it6 h VAL 147 Ca -0.00 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.23 3it6 h VAL 147 Cb 0.71 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 3it6 h VAL 147 CO 0.05 0.38 0.00 0.45 0.02 0.00 0.00 177.57 178.47 3it6 h HIS 148 N 0.10 0.00 0.00 1.57 3.86 -1.35 -3.32 115.15 116.01 3it6 h HIS 148 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3it6 h HIS 148 Cb 0.67 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.14 3it6 h HIS 148 CO 0.01 0.00 -1.22 0.39 0.86 0.00 0.00 177.93 177.96 3it6 n GLU 149 N -3.01 0.21 -2.00 2.45 -0.58 -0.98 -5.00 120.64 111.73 3it6 n GLU 149 Ca 0.04 -0.05 -0.41 0.00 -0.42 0.00 0.00 57.16 56.32 3it6 n GLU 149 Cb 0.52 -1.52 -0.02 0.00 -0.57 0.00 0.00 31.44 29.85 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 -3.16 4.26 0.27 3.49 0.23 -1.01 -4.81 119.30 118.57 3it6 s MET 150 Ca 0.04 2.34 -0.16 0.00 -1.03 0.00 0.00 55.69 56.87 3it6 s MET 150 Cb 0.15 -3.05 0.01 0.00 -1.53 0.00 0.00 34.83 30.41 3it6 s MET 150 CO 0.86 -0.34 0.59 -3.38 -2.03 0.00 0.00 175.02 170.72 3it6 s HIS 151 N -0.87 0.13 -2.26 3.16 -3.43 -1.11 -4.81 115.29 106.09 3it6 s HIS 151 Ca 0.52 -0.54 0.28 0.00 -0.80 0.00 0.00 55.06 54.53 3it6 s HIS 151 Cb -0.42 0.43 1.05 0.00 -1.43 0.00 0.00 32.58 32.21 3it6 s HIS 151 CO 0.54 -1.11 1.74 0.41 -2.00 0.00 0.00 174.74 174.32 3it6 n GLY 152 N -0.42 -0.24 3.76 -1.38 0.00 -1.26 -0.81 105.19 104.84 3it6 n GLY 152 Ca -0.03 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.13 2.76 0.49 -0.02 0.00 -1.26 -4.73 107.32 102.42 3it6 s GLY 153 Ca 0.35 0.99 0.22 0.00 0.00 0.00 0.00 44.72 46.28 3it6 s GLY 153 CO 0.38 1.42 1.94 1.41 0.00 0.00 0.00 173.10 178.26 3it6 h LEU 154 N 1.53 0.17 -1.53 0.66 3.38 -1.92 0.14 115.31 117.75 3it6 h LEU 154 Ca -0.50 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 3it6 h LEU 154 Cb 1.27 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3it6 h LEU 154 CO 0.58 0.09 -0.24 0.58 0.09 0.00 0.00 178.44 179.53 3it6 h VAL 155 N 0.18 1.13 -0.46 1.22 2.07 -1.96 -1.84 116.25 116.60 3it6 h VAL 155 Ca 0.34 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 67.02 3it6 h VAL 155 Cb 1.06 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 3it6 h VAL 155 CO -0.06 0.24 0.29 1.23 0.02 0.00 0.00 177.57 179.29 3it6 h GLY 156 N 0.77 0.64 1.00 2.17 0.00 -1.18 -1.86 103.07 104.61 3it6 h GLY 156 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3it6 h GLY 156 CO 0.03 0.22 0.28 -1.33 0.00 0.00 0.00 176.54 175.74 3it6 h GLY 157 N 0.60 0.63 0.21 4.60 0.00 -1.41 -2.24 103.07 105.46 3it6 h GLY 157 Ca 0.17 -0.25 0.07 0.00 0.00 0.00 0.00 47.33 47.32 3it6 h GLY 157 CO -0.05 0.24 -0.15 -0.55 0.00 0.00 0.00 176.54 176.03 3it6 h ASP 158 N 0.59 -0.51 -0.45 0.19 5.19 -1.11 0.27 116.42 120.60 3it6 h ASP 158 Ca 0.16 0.12 -0.05 0.00 -0.62 0.00 0.00 57.03 56.65 3it6 h ASP 158 Cb -0.04 0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 3it6 h ASP 158 CO -0.03 -0.19 0.09 -0.33 -3.12 0.00 0.00 179.24 175.66 3it6 h GLU 159 N -0.10 0.72 -0.92 3.56 5.08 -1.27 0.05 114.58 121.70 3it6 h GLU 159 Ca 0.16 -0.18 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3it6 h GLU 159 Cb 0.35 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 3it6 h GLU 159 CO -0.38 0.74 0.59 0.00 -1.00 0.00 0.00 179.01 178.95 3it6 h ALA 160 N 0.96 1.25 -0.33 3.43 0.00 -0.97 0.97 119.26 124.56 3it6 h ALA 160 Ca 0.14 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3it6 h ALA 160 Cb 0.35 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3it6 h ALA 160 CO 0.00 0.39 -0.28 0.00 0.00 0.00 0.00 179.25 179.36 3it6 h ALA 161 N 1.41 0.89 -0.29 0.00 0.00 -0.39 -2.91 119.26 117.97 3it6 h ALA 161 Ca 0.39 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3it6 h ALA 161 Cb 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3it6 h ALA 161 CO -0.16 0.63 -0.41 0.45 0.00 0.00 0.00 179.25 179.76 3it6 h HIS 162 N 0.59 0.97 0.00 0.00 -0.00 -0.55 -3.29 115.15 112.87 3it6 h HIS 162 Ca 0.07 -0.32 -0.01 0.00 -0.00 0.00 0.00 60.37 60.11 3it6 h HIS 162 Cb 0.78 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 28.00 3it6 h HIS 162 CO 0.04 1.11 -0.07 0.00 -0.00 0.00 0.00 177.93 179.01 3it6 h ALA 163 N 0.69 1.63 -0.01 2.45 0.00 -0.65 -2.55 119.26 120.82 3it6 h ALA 163 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3it6 h ALA 163 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3it6 h ALA 163 CO 0.10 0.09 -0.18 0.44 0.00 0.00 0.00 179.25 179.69 3it6 n ILE 164 N -4.08 0.00 -2.16 0.00 -5.35 -1.11 -3.63 119.36 103.03 3it6 n ILE 164 Ca -0.03 -0.10 -0.41 0.00 -0.27 0.00 0.00 62.75 61.94 3it6 n ILE 164 Cb 0.15 0.19 -0.02 0.00 -1.74 0.00 0.00 39.64 38.22 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 -2.46 4.39 0.00 6.28 -1.94 -0.96 -4.71 119.30 119.89 3it6 s MET 165 Ca 0.27 2.16 0.00 0.00 -1.71 0.00 0.00 55.69 56.41 3it6 s MET 165 Cb 0.20 -3.08 0.00 0.00 2.01 0.00 0.00 34.83 33.96 3it6 s MET 165 CO 0.49 -0.14 0.00 0.25 -0.01 0.00 0.00 175.02 175.61 3it6 n THR 166 N 0.84 0.00 1.04 2.05 -2.24 -1.26 -4.73 114.28 109.97 3it6 n THR 166 Ca -0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 3it6 n THR 166 Cb 0.42 -0.34 0.27 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.43 0.12 -1.61 4.28 -2.24 -1.26 -4.92 114.28 108.21 3it6 n THR 167 Ca 0.00 -0.46 -0.37 0.00 -2.27 0.00 0.00 64.05 60.95 3it6 n THR 167 Cb 0.00 1.00 0.08 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.94 1.65 -0.06 3.42 9.92 -1.26 -4.90 116.55 126.26 3it6 n ASP 168 Ca 0.17 0.78 -0.05 0.00 -0.53 0.00 0.00 54.79 55.15 3it6 n ASP 168 Cb 0.50 -1.52 -0.11 0.00 -0.64 0.00 0.00 41.12 39.36 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 -1.92 1.59 -4.30 -2.24 5.03 -1.26 -5.01 115.26 107.16 3it6 n ASN 169 Ca 0.15 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.38 3it6 n ASN 169 Cb 0.48 0.92 -0.12 0.00 -1.02 0.00 0.00 39.78 40.05 3it6 n ASN 169 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 3it6 s VAL 170 N -2.40 1.71 0.83 2.41 -7.23 -1.26 -5.16 120.40 109.30 3it6 s VAL 170 Ca -0.07 -1.69 -0.12 0.00 -1.81 0.00 0.00 61.98 58.30 3it6 s VAL 170 Cb 0.05 -1.65 0.09 0.00 0.56 0.00 0.00 36.38 35.43 3it6 s VAL 170 CO 0.57 -0.18 1.18 -2.16 -0.31 0.00 0.00 175.10 174.20 3it6 s PRO 171 N -2.27 1.82 -0.11 4.82 0.04 -1.26 -5.04 135.00 133.00 3it6 s PRO 171 Ca 0.10 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.25 3it6 s PRO 171 Cb -0.08 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.55 3it6 s PRO 171 CO 0.05 -1.69 -0.10 0.15 0.04 0.00 0.00 177.00 175.45 3it6 s LYS 172 N -5.56 1.68 -0.03 4.56 3.01 -1.22 -5.05 119.74 117.13 3it6 s LYS 172 Ca 0.63 -0.33 -0.07 0.00 -1.01 0.00 0.00 55.97 55.19 3it6 s LYS 172 Cb -0.11 -1.63 0.01 0.00 -1.01 0.00 0.00 37.83 35.09 3it6 s LYS 172 CO 0.50 -0.20 0.15 -0.65 0.51 0.00 0.00 175.35 175.65 3it6 s GLN 173 N 1.46 0.36 0.08 1.68 -0.21 -1.26 -1.31 119.66 120.45 3it6 s GLN 173 Ca 0.01 -0.13 -0.23 0.00 0.02 0.00 0.00 55.36 55.03 3it6 s GLN 173 Cb -0.13 0.15 0.06 0.00 1.00 0.00 0.00 33.01 34.09 3it6 s GLN 173 CO -0.06 -0.07 0.56 0.54 -2.12 0.00 0.00 175.29 174.13 3it6 s VAL 174 N -0.75 0.02 -0.11 1.09 0.11 -0.09 -4.21 120.40 116.47 3it6 s VAL 174 Ca -0.08 -0.16 -0.05 0.00 -2.93 0.00 0.00 61.98 58.75 3it6 s VAL 174 Cb -0.05 -1.01 0.05 0.00 -1.53 0.00 0.00 36.38 33.84 3it6 s VAL 174 CO 0.01 -0.09 0.25 0.00 -3.33 0.00 0.00 175.10 171.94 3it6 s ALA 175 N -2.92 -0.58 -0.30 1.54 0.00 -0.35 -0.92 121.76 118.23 3it6 s ALA 175 Ca -0.03 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.85 3it6 s ALA 175 Cb -0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 3it6 s ALA 175 CO -0.05 -0.22 0.18 -1.17 0.00 0.00 0.00 175.76 174.50 3it6 s LEU 176 N 1.31 4.13 -0.38 0.00 0.20 0.52 -0.25 118.68 124.21 3it6 s LEU 176 Ca -0.09 -0.32 -0.17 0.00 0.69 0.00 0.00 54.13 54.25 3it6 s LEU 176 Cb -0.10 -2.07 0.01 0.00 -0.43 0.00 0.00 46.19 43.60 3it6 s LEU 176 CO -0.09 -0.15 0.43 -1.00 -0.29 0.00 0.00 176.35 175.26 3it6 s HIS 177 N 1.69 3.18 0.23 5.38 3.76 0.14 -1.41 115.29 128.26 3it6 s HIS 177 Ca 0.06 -0.16 -0.18 0.00 -0.15 0.00 0.00 55.06 54.63 3it6 s HIS 177 Cb -0.17 -2.84 -0.08 0.00 1.11 0.00 0.00 32.58 30.60 3it6 s HIS 177 CO 0.09 -0.60 0.69 -1.58 -0.85 0.00 0.00 174.74 172.49 3it6 s HIS 178 N 2.17 3.58 0.13 1.40 2.46 -0.51 -0.41 115.29 124.12 3it6 s HIS 178 Ca 0.13 1.29 0.33 0.00 0.47 0.00 0.00 55.06 57.29 3it6 s HIS 178 Cb -0.16 -2.55 1.63 0.00 -0.13 0.00 0.00 32.58 31.36 3it6 s HIS 178 CO 0.13 0.31 2.01 1.12 -2.47 0.00 0.00 174.74 175.83 3it6 h HIS 179 N 3.20 0.00 -0.15 3.88 2.07 -1.86 0.27 115.15 122.56 3it6 h HIS 179 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 3it6 h HIS 179 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 3it6 h HIS 179 CO 0.63 0.00 0.00 -0.25 -3.07 0.00 0.00 177.93 175.24 3it6 n ASP 180 N -2.77 0.94 -0.22 3.10 8.00 -1.26 -4.83 116.55 119.51 3it6 n ASP 180 Ca -0.01 -1.86 -0.02 0.00 0.71 0.00 0.00 54.79 53.61 3it6 n ASP 180 Cb 0.16 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 41.15 3it6 n ASP 180 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3it6 n ASN 181 N -0.04 -2.53 -4.69 -2.24 3.02 0.08 -5.07 115.26 103.79 3it6 n ASN 181 Ca 0.09 0.03 -0.23 0.00 -0.03 0.00 0.00 54.58 54.45 3it6 n ASN 181 Cb 0.17 -1.00 -0.06 0.00 -0.61 0.00 0.00 39.78 38.27 3it6 n ASN 181 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 3it6 s TRP 182 N -2.10 2.78 -0.00 3.10 1.48 -1.25 -4.99 118.94 117.96 3it6 s TRP 182 Ca 0.00 -0.22 0.03 0.00 -1.06 0.00 0.00 56.10 54.85 3it6 s TRP 182 Cb 0.00 -1.30 -0.01 0.00 -1.16 0.00 0.00 33.47 31.00 3it6 s TRP 182 CO 0.00 0.56 -0.09 0.99 -4.06 0.00 0.00 176.95 174.35 3it6 s THR 183 N -2.30 0.74 -0.17 0.66 2.01 -1.26 -1.42 115.64 113.90 3it6 s THR 183 Ca 0.33 -0.47 -0.03 0.00 0.31 0.00 0.00 61.69 61.83 3it6 s THR 183 Cb -0.06 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 3it6 s THR 183 CO 0.21 0.16 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.54 3it6 s VAL 184 N -0.32 3.49 0.25 3.82 1.01 -0.50 -4.69 120.40 123.46 3it6 s VAL 184 Ca 0.03 -0.49 0.12 0.00 0.00 0.00 0.00 61.98 61.63 3it6 s VAL 184 Cb -0.04 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 3it6 s VAL 184 CO -0.00 0.48 -0.21 -0.83 0.00 0.00 0.00 175.10 174.54 3it6 s GLY 185 N 0.67 1.80 -0.18 4.51 0.00 -1.26 -0.35 107.32 112.51 3it6 s GLY 185 Ca -0.04 -1.78 -0.28 0.00 0.00 0.00 0.00 44.72 42.62 3it6 s GLY 185 CO 0.02 -1.85 0.78 -0.32 0.00 0.00 0.00 173.10 171.73 3it6 s GLY 186 N -3.20 -0.47 0.18 0.20 0.00 -0.09 -4.70 107.32 99.24 3it6 s GLY 186 Ca 0.26 1.87 0.10 0.00 0.00 0.00 0.00 44.72 46.95 3it6 s GLY 186 CO 0.13 1.42 -0.20 -3.16 0.00 0.00 0.00 173.10 171.29 3it6 s MET 187 N -0.33 1.37 0.06 2.90 0.23 -1.26 -1.64 119.30 120.63 3it6 s MET 187 Ca -0.04 -1.47 -0.10 0.00 -1.03 0.00 0.00 55.69 53.05 3it6 s MET 187 Cb -0.03 -1.50 0.01 0.00 -1.53 0.00 0.00 34.83 31.78 3it6 s MET 187 CO 0.03 0.31 0.23 0.00 -2.03 0.00 0.00 175.02 173.56 3it6 s ALA 188 N -2.01 -0.42 0.11 3.16 0.00 -0.43 -4.98 121.76 117.19 3it6 s ALA 188 Ca 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 3it6 s ALA 188 Cb -0.06 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 3it6 s ALA 188 CO 0.08 -0.44 0.02 -1.59 0.00 0.00 0.00 175.76 173.84 3it6 s LYS 189 N -3.05 0.84 0.00 0.00 0.00 -1.26 -3.45 119.74 112.82 3it6 s LYS 189 Ca -0.01 -1.38 0.00 0.00 0.00 0.00 0.00 55.97 54.58 3it6 s LYS 189 Cb 0.01 0.19 0.00 0.00 0.00 0.00 0.00 37.83 38.03 3it6 s LYS 189 CO -0.07 -0.20 0.00 0.41 0.00 0.00 0.00 175.35 175.49 3it6 n GLY 190 N -0.04 4.20 0.00 0.59 0.00 -1.26 -5.09 105.19 103.58 3it6 n GLY 190 Ca -0.08 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.10 0.30 -2.68 4.61 0.00 -1.26 -4.93 120.51 116.45 3it6 n ALA 191 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3it6 n ALA 191 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.26 0.56 -1.19 0.00 0.00 -1.26 -4.86 107.32 100.31 3it6 s GLY 192 Ca 0.00 -0.96 -0.26 0.00 0.00 0.00 0.00 44.72 43.49 3it6 s GLY 192 CO 0.00 -0.89 0.71 -0.13 0.00 0.00 0.00 173.10 172.79 3it6 n MET 193 N -0.22 -0.83 -3.74 2.90 0.00 -1.26 -4.94 117.12 109.03 3it6 n MET 193 Ca -0.06 0.27 -0.29 0.00 -0.00 0.00 0.00 57.70 57.62 3it6 n MET 193 Cb 0.63 -3.38 -0.12 0.00 0.00 0.00 0.00 33.22 30.35 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 -6.98 3.33 -0.46 -0.89 2.96 -1.26 -4.92 118.68 110.46 3it6 s LEU 194 Ca 0.46 -3.19 0.07 0.00 -0.22 0.00 0.00 54.13 51.25 3it6 s LEU 194 Cb -0.21 -1.18 0.24 0.00 0.50 0.00 0.00 46.19 45.54 3it6 s LEU 194 CO 0.92 -0.18 0.77 0.00 -1.32 0.00 0.00 176.35 176.54 3it6 n ALA 195 N 2.81 -0.17 -1.77 5.97 0.00 -1.26 -5.11 120.51 120.96 3it6 n ALA 195 Ca 0.16 -2.04 -0.41 0.00 0.00 0.00 0.00 53.44 51.16 3it6 n ALA 195 Cb 0.37 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.60 2.59 -3.61 0.00 -0.02 -1.26 -4.99 135.00 129.30 3it6 n PRO 196 Ca 0.13 0.91 -0.29 0.00 -2.02 0.00 0.00 63.50 62.23 3it6 n PRO 196 Cb 0.60 -2.67 -0.15 0.00 -0.02 0.00 0.00 33.50 31.25 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 -0.21 3.42 -0.04 2.55 0.15 -1.26 -5.10 113.70 113.21 3it6 s SER 197 Ca 0.55 -1.23 0.02 0.00 0.70 0.00 0.00 55.95 56.00 3it6 s SER 197 Cb -0.47 -0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 63.34 3it6 s SER 197 CO 0.62 -0.41 -0.08 -0.76 1.20 0.00 0.00 173.24 173.81 3it6 s LEU 198 N 1.98 3.11 0.00 3.45 1.02 -1.26 -0.63 118.68 126.34 3it6 s LEU 198 Ca 0.07 -0.10 0.00 0.00 0.02 0.00 0.00 54.13 54.12 3it6 s LEU 198 Cb -0.16 -1.72 0.00 0.00 0.02 0.00 0.00 46.19 44.33 3it6 s LEU 198 CO -0.28 0.33 0.00 0.00 0.02 0.00 0.00 176.35 176.42