#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i78 n THR 2 N 0.00 0.00 -2.12 2.46 5.66 -1.26 -3.10 114.28 115.92 1i78 n THR 2 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 1i78 n THR 2 Cb 0.00 -0.61 0.02 0.00 -1.55 0.00 0.00 70.33 68.19 1i78 n THR 2 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1i78 n GLU 3 N -0.92 3.37 -3.96 1.09 4.71 -1.26 -4.65 120.64 119.02 1i78 n GLU 3 Ca 0.13 -4.15 -0.31 0.00 -0.01 0.00 0.00 57.16 52.82 1i78 n GLU 3 Cb 0.06 -2.27 -0.15 0.00 -1.01 0.00 0.00 31.44 28.06 1i78 n GLU 3 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 1i78 s THR 4 N -5.03 1.65 -0.61 2.62 -1.32 -1.18 -5.09 115.64 106.69 1i78 s THR 4 Ca 0.51 -1.32 -0.28 0.00 -1.21 0.00 0.00 61.69 59.40 1i78 s THR 4 Cb 0.42 -1.90 0.02 0.00 -1.51 0.00 0.00 72.50 69.53 1i78 s THR 4 CO -0.10 -0.11 1.40 -0.76 -2.21 0.00 0.00 174.62 172.85 1i78 s LEU 5 N 1.34 3.34 0.32 9.08 1.02 -1.26 -4.50 118.68 128.02 1i78 s LEU 5 Ca -0.06 0.11 -0.19 0.00 0.02 0.00 0.00 54.13 54.01 1i78 s LEU 5 Cb -0.19 -2.91 0.04 0.00 0.02 0.00 0.00 46.19 43.15 1i78 s LEU 5 CO -0.06 -1.78 0.78 -0.94 0.02 0.00 0.00 176.35 174.37 1i78 s SER 6 N 4.47 -0.11 -0.02 2.29 1.04 -1.26 -5.13 113.70 114.97 1i78 s SER 6 Ca 0.49 -0.87 0.01 0.00 0.48 0.00 0.00 55.95 56.06 1i78 s SER 6 Cb -0.10 0.77 0.01 0.00 0.10 0.00 0.00 66.02 66.80 1i78 s SER 6 CO 0.22 -1.49 -0.04 0.12 0.98 0.00 0.00 173.24 173.04 1i78 s PHE 7 N -3.02 0.44 -0.39 5.02 5.36 -1.26 -4.57 117.98 119.56 1i78 s PHE 7 Ca 0.14 -0.08 0.10 0.00 -0.96 0.00 0.00 56.93 56.12 1i78 s PHE 7 Cb -0.05 -0.36 0.30 0.00 -0.34 0.00 0.00 43.02 42.57 1i78 s PHE 7 CO 0.09 -0.06 0.67 0.25 -1.46 0.00 0.00 175.22 174.71 1i78 n THR 8 N 3.38 -0.38 0.00 0.12 -2.24 0.14 -4.91 114.28 110.39 1i78 n THR 8 Ca -0.18 -4.05 0.00 0.00 -2.27 0.00 0.00 64.05 57.55 1i78 n THR 8 Cb 0.55 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1i78 n THR 8 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1i78 n PRO 9 N 0.82 0.00 0.07 -0.78 -0.04 -1.26 -0.74 135.00 133.06 1i78 n PRO 9 Ca 0.22 0.16 -0.16 0.00 -0.04 0.00 0.00 63.50 63.68 1i78 n PRO 9 Cb 0.61 -1.52 -0.08 0.00 -0.04 0.00 0.00 33.50 32.47 1i78 n PRO 9 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1i78 h ASP 10 N 0.00 0.66 -2.15 3.54 3.58 -1.91 -3.44 116.42 116.71 1i78 h ASP 10 Ca 0.00 -0.55 -0.53 0.00 0.42 0.00 0.00 57.03 56.37 1i78 h ASP 10 Cb 0.05 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 1i78 h ASP 10 CO 0.00 1.36 1.41 0.20 -2.88 0.00 0.00 179.24 179.33 1i78 s ASN 11 N -7.18 5.34 0.02 2.28 -0.87 0.08 -4.97 114.94 109.64 1i78 s ASN 11 Ca -0.07 1.11 0.00 0.00 -1.57 0.00 0.00 52.86 52.34 1i78 s ASN 11 Cb 0.08 -2.52 -0.02 0.00 -0.02 0.00 0.00 41.25 38.77 1i78 s ASN 11 CO 0.89 -2.18 -0.03 -0.63 -2.57 0.00 0.00 177.10 172.58 1i78 s ILE 12 N 8.85 0.15 -0.04 0.60 1.01 -1.26 -1.06 121.20 129.45 1i78 s ILE 12 Ca 0.84 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 60.62 1i78 s ILE 12 Cb -0.21 -0.27 0.01 0.00 0.01 0.00 0.00 42.46 42.00 1i78 s ILE 12 CO 0.29 -0.42 0.14 0.54 0.00 0.00 0.00 174.94 175.49 1i78 s ASN 13 N -1.29 -0.09 0.21 3.58 2.20 -0.63 -1.43 114.94 117.49 1i78 s ASN 13 Ca -0.13 0.12 0.08 0.00 -0.94 0.00 0.00 52.86 52.00 1i78 s ASN 13 Cb -0.09 0.27 -0.04 0.00 -2.00 0.00 0.00 41.25 39.39 1i78 s ASN 13 CO -0.01 -0.16 -0.02 0.00 -2.94 0.00 0.00 177.10 173.97 1i78 s ALA 14 N -0.41 3.13 -0.10 3.54 0.00 0.07 -1.09 121.76 126.91 1i78 s ALA 14 Ca -0.05 -1.49 -0.03 0.00 0.00 0.00 0.00 51.96 50.38 1i78 s ALA 14 Cb -0.03 -0.86 0.05 0.00 0.00 0.00 0.00 23.12 22.28 1i78 s ALA 14 CO 0.01 0.40 0.13 0.34 0.00 0.00 0.00 175.76 176.63 1i78 s ASP 15 N -3.18 1.18 -0.05 0.00 -1.08 0.53 -0.88 116.67 113.18 1i78 s ASP 15 Ca 0.28 0.06 0.04 0.00 -0.52 0.00 0.00 52.55 52.41 1i78 s ASP 15 Cb -0.08 0.08 0.00 0.00 -1.46 0.00 0.00 42.92 41.46 1i78 s ASP 15 CO 0.18 -0.27 -0.16 -0.51 0.52 0.00 0.00 175.17 174.93 1i78 s ILE 16 N 2.24 1.40 0.17 4.11 1.10 -0.89 0.08 121.20 129.41 1i78 s ILE 16 Ca 0.04 -0.68 -0.15 0.00 -0.51 0.00 0.00 60.65 59.34 1i78 s ILE 16 Cb -0.13 -1.22 0.02 0.00 0.15 0.00 0.00 42.46 41.28 1i78 s ILE 16 CO -0.06 0.41 0.44 -0.94 -2.11 0.00 0.00 174.94 172.67 1i78 s SER 17 N 0.18 -0.18 0.18 4.50 1.04 0.35 -1.37 113.70 118.40 1i78 s SER 17 Ca -0.07 -0.54 0.08 0.00 0.48 0.00 0.00 55.95 55.91 1i78 s SER 17 Cb -0.13 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1i78 s SER 17 CO 0.03 -0.97 -0.17 -0.76 0.98 0.00 0.00 173.24 172.35 1i78 s LEU 18 N -2.88 2.49 0.00 2.42 1.43 -0.22 -0.82 118.68 121.09 1i78 s LEU 18 Ca 0.10 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1i78 s LEU 18 Cb 0.01 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.45 1i78 s LEU 18 CO -0.04 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.07 1i78 n GLY 19 N 0.02 -0.57 3.28 -3.19 0.00 -0.79 -1.34 105.19 102.60 1i78 n GLY 19 Ca -0.11 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 1i78 n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i78 s THR 20 N -3.32 1.39 -0.08 2.61 -4.23 -0.04 -0.18 115.64 111.79 1i78 s THR 20 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1i78 s THR 20 Cb 0.00 -1.81 0.02 0.00 1.34 0.00 0.00 72.50 72.05 1i78 s THR 20 CO 0.00 -0.60 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.16 1i78 s LEU 21 N -2.99 1.46 0.05 4.79 2.96 -0.13 -1.29 118.68 123.54 1i78 s LEU 21 Ca 0.16 -0.28 0.06 0.00 -0.22 0.00 0.00 54.13 53.86 1i78 s LEU 21 Cb -0.01 -0.78 -0.02 0.00 0.50 0.00 0.00 46.19 45.88 1i78 s LEU 21 CO 0.03 -0.02 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.42 1i78 s SER 22 N 1.01 2.08 0.03 3.68 0.01 0.29 -1.93 113.70 118.87 1i78 s SER 22 Ca -0.08 -0.51 -0.19 0.00 1.31 0.00 0.00 55.95 56.48 1i78 s SER 22 Cb -0.15 -0.15 0.06 0.00 0.21 0.00 0.00 66.02 66.00 1i78 s SER 22 CO -0.00 0.08 0.86 0.61 0.41 0.00 0.00 173.24 175.20 1i78 n GLY 23 N 1.77 0.48 3.48 3.44 0.00 -0.70 -0.07 105.19 113.59 1i78 n GLY 23 Ca -0.18 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.68 1i78 n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i78 s LYS 24 N -2.02 0.70 -0.02 1.61 2.20 -0.80 -2.22 119.74 119.19 1i78 s LYS 24 Ca 0.20 0.73 0.03 0.00 -0.36 0.00 0.00 55.97 56.56 1i78 s LYS 24 Cb -0.01 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.65 1i78 s LYS 24 CO 0.01 -0.10 -0.09 -0.08 -0.36 0.00 0.00 175.35 174.73 1i78 s THR 25 N 0.14 0.79 -0.25 3.43 -1.32 -0.43 -1.62 115.64 116.39 1i78 s THR 25 Ca -0.01 -0.37 -0.04 0.00 -1.21 0.00 0.00 61.69 60.06 1i78 s THR 25 Cb -0.04 -0.70 0.01 0.00 -1.51 0.00 0.00 72.50 70.26 1i78 s THR 25 CO 0.02 0.25 -0.01 -0.54 -2.21 0.00 0.00 174.62 172.12 1i78 s LYS 26 N 0.15 3.11 -0.37 7.08 1.02 -0.31 -1.71 119.74 128.71 1i78 s LYS 26 Ca -0.02 -0.81 -0.16 0.00 0.02 0.00 0.00 55.97 54.99 1i78 s LYS 26 Cb -0.08 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 1i78 s LYS 26 CO 0.00 -0.34 0.41 -2.00 -0.92 0.00 0.00 175.35 172.50 1i78 s GLU 27 N 1.43 3.41 0.10 1.68 2.12 0.07 -2.84 118.70 124.67 1i78 s GLU 27 Ca 0.03 -0.50 0.09 0.00 0.36 0.00 0.00 54.97 54.95 1i78 s GLU 27 Cb -0.16 -3.86 -0.04 0.00 0.26 0.00 0.00 34.13 30.33 1i78 s GLU 27 CO -0.02 -0.65 -0.19 1.03 -0.54 0.00 0.00 175.26 174.89 1i78 s ARG 28 N 2.11 1.82 -0.04 4.30 0.52 -0.83 -0.48 118.95 126.35 1i78 s ARG 28 Ca 0.13 -1.15 0.06 0.00 -0.52 0.00 0.00 55.73 54.25 1i78 s ARG 28 Cb -0.17 -2.11 -0.01 0.00 0.52 0.00 0.00 34.95 33.18 1i78 s ARG 28 CO 0.13 0.49 -0.22 0.08 0.02 0.00 0.00 175.30 175.80 1i78 s VAL 29 N -1.08 1.76 0.14 3.52 1.01 -0.80 -1.28 120.40 123.67 1i78 s VAL 29 Ca 0.17 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.32 1i78 s VAL 29 Cb -0.10 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1i78 s VAL 29 CO 0.09 0.50 -0.20 -0.31 0.00 0.00 0.00 175.10 175.18 1i78 s TYR 30 N -0.21 1.85 -0.37 5.22 1.51 0.11 -1.71 117.35 123.74 1i78 s TYR 30 Ca 0.00 -0.44 -0.07 0.00 -1.01 0.00 0.00 57.07 55.55 1i78 s TYR 30 Cb -0.11 -0.95 0.06 0.00 -0.11 0.00 0.00 41.96 40.84 1i78 s TYR 30 CO 0.02 0.30 0.16 -0.51 -1.11 0.00 0.00 175.55 174.41 1i78 s LEU 31 N -2.40 4.65 0.05 -1.29 1.43 -0.84 -4.56 118.68 115.72 1i78 s LEU 31 Ca 0.13 -1.31 -0.25 0.00 -1.03 0.00 0.00 54.13 51.67 1i78 s LEU 31 Cb -0.07 -1.91 -0.17 0.00 0.03 0.00 0.00 46.19 44.07 1i78 s LEU 31 CO 0.06 -0.41 1.55 0.00 0.23 0.00 0.00 176.35 177.78 1i78 h ALA 32 N 8.27 -0.17 0.00 4.21 0.00 -1.87 0.44 119.26 130.13 1i78 h ALA 32 Ca -0.22 -0.11 -0.60 0.00 0.00 0.00 0.00 54.91 53.99 1i78 h ALA 32 Cb 1.08 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1i78 h ALA 32 CO 0.66 -0.52 3.20 -0.85 0.00 0.00 0.00 179.25 181.73 1i78 n GLU 33 N -5.09 2.83 0.00 0.00 0.00 -1.26 -2.67 120.64 114.45 1i78 n GLU 33 Ca -0.09 -2.03 0.00 0.00 0.00 0.00 0.00 57.16 55.04 1i78 n GLU 33 Cb 0.15 -2.82 0.00 0.00 0.00 0.00 0.00 31.44 28.78 1i78 n GLU 33 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1i78 n GLU 34 N 4.66 0.00 -0.14 3.44 2.13 -1.20 -4.95 120.64 124.58 1i78 n GLU 34 Ca 0.61 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.43 1i78 n GLU 34 Cb 0.25 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.96 1i78 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i78 n GLY 35 N 0.00 2.43 1.87 8.31 0.00 -1.09 -3.24 105.19 113.48 1i78 n GLY 35 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1i78 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i78 n GLY 36 N -2.00 0.52 3.83 -0.02 0.00 0.15 -4.97 105.19 102.70 1i78 n GLY 36 Ca 0.00 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 1i78 n GLY 36 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1i78 s ARG 37 N -4.36 3.51 0.05 1.61 1.70 -1.20 -4.60 118.95 115.66 1i78 s ARG 37 Ca 0.01 0.98 -0.30 0.00 -0.47 0.00 0.00 55.73 55.95 1i78 s ARG 37 Cb -0.00 -2.07 -0.04 0.00 -0.57 0.00 0.00 34.95 32.27 1i78 s ARG 37 CO 0.01 -0.64 0.99 0.21 -1.08 0.00 0.00 175.30 174.79 1i78 s LYS 38 N -4.49 4.60 -0.00 3.89 2.20 -1.26 -1.98 119.74 122.70 1i78 s LYS 38 Ca 0.59 1.46 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 1i78 s LYS 38 Cb -0.13 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.77 1i78 s LYS 38 CO 0.42 0.04 0.01 1.33 -0.36 0.00 0.00 175.35 176.79 1i78 n VAL 39 N 3.45 0.01 -3.99 4.02 0.24 -0.69 -4.59 118.33 116.77 1i78 n VAL 39 Ca 0.05 -0.01 -0.11 0.00 -2.04 0.00 0.00 64.34 62.23 1i78 n VAL 39 Cb 0.50 0.05 -0.12 0.00 -1.47 0.00 0.00 33.84 32.80 1i78 n VAL 39 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1i78 s SER 40 N -2.35 0.37 -0.26 -1.34 0.01 -1.20 -1.30 113.70 107.63 1i78 s SER 40 Ca -0.00 -0.40 -0.07 0.00 1.31 0.00 0.00 55.95 56.79 1i78 s SER 40 Cb 0.00 0.06 0.13 0.00 0.21 0.00 0.00 66.02 66.41 1i78 s SER 40 CO 0.02 -0.20 0.55 -1.58 0.41 0.00 0.00 173.24 172.43 1i78 s GLN 41 N -1.15 0.48 -0.22 12.44 0.74 -0.87 -1.91 119.66 129.18 1i78 s GLN 41 Ca -0.11 1.20 -0.07 0.00 0.05 0.00 0.00 55.36 56.43 1i78 s GLN 41 Cb -0.08 0.56 -0.03 0.00 1.10 0.00 0.00 33.01 34.56 1i78 s GLN 41 CO -0.00 -0.31 0.04 -0.51 -0.55 0.00 0.00 175.29 173.96 1i78 s LEU 42 N 2.78 3.46 -0.49 3.68 2.01 0.37 -1.87 118.68 128.62 1i78 s LEU 42 Ca 0.00 -0.14 -0.07 0.00 0.01 0.00 0.00 54.13 53.94 1i78 s LEU 42 Cb -0.13 -1.90 0.13 0.00 0.01 0.00 0.00 46.19 44.30 1i78 s LEU 42 CO -0.17 0.05 0.33 -1.81 1.01 0.00 0.00 176.35 175.76 1i78 s ASP 43 N 1.11 5.56 -0.16 2.29 -0.00 0.25 -0.75 116.67 124.97 1i78 s ASP 43 Ca 0.04 -2.10 -0.17 0.00 -0.00 0.00 0.00 52.55 50.31 1i78 s ASP 43 Cb -0.14 -1.95 -0.04 0.00 -0.00 0.00 0.00 42.92 40.79 1i78 s ASP 43 CO 0.03 -0.61 0.45 0.26 -0.00 0.00 0.00 175.17 175.30 1i78 s TRP 44 N 1.07 3.45 0.09 4.23 0.52 -0.69 -2.55 118.94 125.06 1i78 s TRP 44 Ca 0.08 0.78 -0.03 0.00 0.02 0.00 0.00 56.10 56.95 1i78 s TRP 44 Cb -0.24 -2.55 -0.03 0.00 -1.15 0.00 0.00 33.47 29.50 1i78 s TRP 44 CO -0.02 0.09 0.06 -1.59 0.02 0.00 0.00 176.95 175.50 1i78 s LYS 45 N 0.95 0.80 -0.16 4.98 -2.85 -0.47 -1.31 119.74 121.66 1i78 s LYS 45 Ca 0.23 -1.24 -0.30 0.00 -1.00 0.00 0.00 55.97 53.67 1i78 s LYS 45 Cb -0.15 0.26 0.12 0.00 -2.06 0.00 0.00 37.83 36.00 1i78 s LYS 45 CO 0.09 -0.21 0.96 -0.59 0.10 0.00 0.00 175.35 175.70 1i78 s PHE 46 N -3.95 -0.42 0.23 1.78 -0.12 -0.94 -1.56 117.98 112.99 1i78 s PHE 46 Ca 0.13 0.77 0.10 0.00 -0.05 0.00 0.00 56.93 57.88 1i78 s PHE 46 Cb 0.07 0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 42.84 1i78 s PHE 46 CO -0.06 -0.36 -0.18 -0.80 -0.05 0.00 0.00 175.22 173.77 1i78 s ASN 47 N -0.93 3.10 -1.51 1.98 -0.87 -1.26 -1.72 114.94 113.73 1i78 s ASN 47 Ca -0.02 -1.00 -0.01 0.00 -1.57 0.00 0.00 52.86 50.27 1i78 s ASN 47 Cb -0.01 -0.22 0.00 0.00 -0.02 0.00 0.00 41.25 41.00 1i78 s ASN 47 CO 0.02 -0.04 0.01 0.59 -2.57 0.00 0.00 177.10 175.11 1i78 n ASN 48 N -0.36 0.84 -4.70 -1.22 3.02 -1.23 -4.91 115.26 106.69 1i78 n ASN 48 Ca -0.08 -1.25 -0.41 0.00 -0.03 0.00 0.00 54.58 52.81 1i78 n ASN 48 Cb 0.59 -1.56 -0.03 0.00 -0.61 0.00 0.00 39.78 38.17 1i78 n ASN 48 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i78 s ALA 49 N -4.35 3.29 0.31 5.41 0.00 -0.81 -4.79 121.76 120.82 1i78 s ALA 49 Ca 0.01 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 1i78 s ALA 49 Cb -0.01 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.77 1i78 s ALA 49 CO 0.98 -0.31 1.24 0.00 0.00 0.00 0.00 175.76 177.67 1i78 s ALA 50 N 1.27 3.47 0.03 0.00 0.00 -1.26 -0.95 121.76 124.32 1i78 s ALA 50 Ca 0.46 1.14 -0.00 0.00 0.00 0.00 0.00 51.96 53.56 1i78 s ALA 50 Cb -0.19 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 1i78 s ALA 50 CO 0.22 -0.49 -0.04 0.96 0.00 0.00 0.00 175.76 176.41 1i78 s ILE 51 N -1.06 0.20 -0.12 0.00 -4.36 0.75 -0.38 121.20 116.23 1i78 s ILE 51 Ca 0.48 -1.23 -0.01 0.00 -0.26 0.00 0.00 60.65 59.63 1i78 s ILE 51 Cb -0.37 -0.72 -0.02 0.00 1.25 0.00 0.00 42.46 42.60 1i78 s ILE 51 CO 0.48 -0.65 -0.09 -0.51 0.24 0.00 0.00 174.94 174.41 1i78 s ILE 52 N -2.27 3.49 0.04 8.37 1.10 -0.46 -1.89 121.20 129.58 1i78 s ILE 52 Ca -0.08 -0.52 0.05 0.00 -0.51 0.00 0.00 60.65 59.59 1i78 s ILE 52 Cb -0.04 -2.47 -0.02 0.00 0.15 0.00 0.00 42.46 40.08 1i78 s ILE 52 CO -0.04 0.54 -0.15 -0.75 -2.11 0.00 0.00 174.94 172.43 1i78 s LYS 53 N -0.01 1.02 0.05 3.50 2.20 -0.00 -1.83 119.74 124.66 1i78 s LYS 53 Ca -0.01 -0.79 -0.21 0.00 -0.36 0.00 0.00 55.97 54.59 1i78 s LYS 53 Cb -0.14 -1.05 0.05 0.00 -1.51 0.00 0.00 37.83 35.18 1i78 s LYS 53 CO 0.03 0.26 0.49 0.20 -0.36 0.00 0.00 175.35 175.97 1i78 s GLY 54 N -1.15 -0.38 -0.01 5.54 0.00 0.04 -0.49 107.32 110.86 1i78 s GLY 54 Ca 0.03 0.51 -0.14 0.00 0.00 0.00 0.00 44.72 45.12 1i78 s GLY 54 CO 0.01 0.22 0.29 0.00 0.00 0.00 0.00 173.10 173.62 1i78 s ALA 55 N -2.48 -0.72 -0.10 3.20 0.00 0.11 -1.44 121.76 120.34 1i78 s ALA 55 Ca -0.05 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.19 1i78 s ALA 55 Cb -0.01 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1i78 s ALA 55 CO -0.02 -0.25 -0.12 0.42 0.00 0.00 0.00 175.76 175.78 1i78 s ILE 56 N -1.31 1.29 -0.09 0.00 1.01 -0.41 -0.35 121.20 121.34 1i78 s ILE 56 Ca -0.14 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.05 1i78 s ILE 56 Cb -0.05 -1.21 -0.00 0.00 0.01 0.00 0.00 42.46 41.20 1i78 s ILE 56 CO 0.04 0.40 -0.24 0.20 0.00 0.00 0.00 174.94 175.34 1i78 s ASN 57 N 1.14 3.10 -0.31 3.58 0.01 -0.25 -1.98 114.94 120.25 1i78 s ASN 57 Ca -0.04 -0.54 -0.04 0.00 -0.71 0.00 0.00 52.86 51.52 1i78 s ASN 57 Cb -0.14 -1.27 0.04 0.00 0.41 0.00 0.00 41.25 40.28 1i78 s ASN 57 CO -0.03 0.18 0.04 0.26 -1.51 0.00 0.00 177.10 176.04 1i78 s TRP 58 N 0.21 3.22 -1.19 2.20 0.51 0.01 -1.60 118.94 122.30 1i78 s TRP 58 Ca -0.15 -1.55 -0.09 0.00 -2.12 0.00 0.00 56.10 52.20 1i78 s TRP 58 Cb -0.17 -2.18 0.23 0.00 -0.81 0.00 0.00 33.47 30.54 1i78 s TRP 58 CO 0.08 -0.74 1.57 -0.25 -0.51 0.00 0.00 176.95 177.10 1i78 n ASP 59 N 4.73 5.58 -0.17 2.95 8.00 -0.23 -1.20 116.55 136.21 1i78 n ASP 59 Ca -0.14 -3.17 -0.04 0.00 0.71 0.00 0.00 54.79 52.16 1i78 n ASP 59 Cb 0.45 -1.42 0.06 0.00 -0.02 0.00 0.00 41.12 40.19 1i78 n ASP 59 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1i78 h LEU 60 N 7.31 0.35 -8.37 0.64 3.38 -1.75 -3.41 115.31 113.45 1i78 h LEU 60 Ca 0.29 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 58.12 1i78 h LEU 60 Cb 0.70 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.27 1i78 h LEU 60 CO 1.39 0.24 -0.67 -0.04 0.09 0.00 0.00 178.44 179.45 1i78 s MET 61 N -6.13 0.80 0.55 1.13 -1.94 -0.91 0.27 119.30 113.07 1i78 s MET 61 Ca -0.13 -1.34 0.26 0.00 -1.71 0.00 0.00 55.69 52.76 1i78 s MET 61 Cb 0.14 0.12 1.59 0.00 2.01 0.00 0.00 34.83 38.69 1i78 s MET 61 CO 0.74 -0.15 2.18 -1.35 -0.01 0.00 0.00 175.02 176.42 1i78 h PRO 62 N 2.98 0.00 0.03 2.03 0.11 -1.80 -2.48 132.00 132.87 1i78 h PRO 62 Ca -0.35 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.52 1i78 h PRO 62 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1i78 h PRO 62 CO 0.63 0.04 -1.21 1.96 -0.21 0.00 0.00 178.00 179.21 1i78 h GLN 63 N 0.00 0.07 -3.05 1.05 7.50 -1.87 -3.42 115.11 115.39 1i78 h GLN 63 Ca -0.00 -0.12 -0.13 0.00 0.50 0.00 0.00 58.65 58.90 1i78 h GLN 63 Cb 0.09 0.05 -0.22 0.00 0.05 0.00 0.00 27.48 27.45 1i78 h GLN 63 CO 0.01 0.97 -0.32 -1.50 -1.50 0.00 0.00 178.83 176.49 1i78 s ILE 64 N -2.67 0.04 0.15 2.54 2.07 -0.94 -0.59 121.20 121.80 1i78 s ILE 64 Ca -0.02 -0.33 0.08 0.00 -1.41 0.00 0.00 60.65 58.97 1i78 s ILE 64 Cb 0.09 -0.54 -0.04 0.00 0.13 0.00 0.00 42.46 42.10 1i78 s ILE 64 CO 0.83 -0.18 -0.17 -0.44 -1.91 0.00 0.00 174.94 173.07 1i78 s SER 65 N -0.82 2.43 0.03 4.50 0.01 -0.72 -2.15 113.70 116.98 1i78 s SER 65 Ca -0.09 -0.83 0.08 0.00 1.31 0.00 0.00 55.95 56.42 1i78 s SER 65 Cb -0.04 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.03 1i78 s SER 65 CO 0.03 -0.07 -0.23 -0.63 0.41 0.00 0.00 173.24 172.74 1i78 s ILE 66 N -2.03 2.35 -0.01 1.44 -1.09 -0.34 -1.04 121.20 120.48 1i78 s ILE 66 Ca 0.13 -1.25 -0.08 0.00 -2.23 0.00 0.00 60.65 57.22 1i78 s ILE 66 Cb -0.06 -1.92 0.01 0.00 -1.58 0.00 0.00 42.46 38.91 1i78 s ILE 66 CO 0.05 0.41 0.16 -0.83 -1.23 0.00 0.00 174.94 173.50 1i78 s GLY 67 N -1.15 -0.01 -0.05 6.18 0.00 -0.72 -0.81 107.32 110.75 1i78 s GLY 67 Ca 0.12 0.05 0.02 0.00 0.00 0.00 0.00 44.72 44.92 1i78 s GLY 67 CO 0.02 -0.08 -0.11 0.00 0.00 0.00 0.00 173.10 172.93 1i78 s ALA 68 N -1.05 1.13 0.17 3.20 0.00 -0.84 -1.09 121.76 123.28 1i78 s ALA 68 Ca -0.11 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1i78 s ALA 68 Cb -0.06 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1i78 s ALA 68 CO 0.02 0.13 0.06 0.00 0.00 0.00 0.00 175.76 175.97 1i78 s ALA 69 N 0.48 1.17 -0.22 0.00 0.00 0.15 -1.28 121.76 122.06 1i78 s ALA 69 Ca -0.10 -1.60 -0.36 0.00 0.00 0.00 0.00 51.96 49.90 1i78 s ALA 69 Cb -0.13 0.90 0.14 0.00 0.00 0.00 0.00 23.12 24.04 1i78 s ALA 69 CO 0.02 -0.46 1.26 0.20 0.00 0.00 0.00 175.76 176.79 1i78 s GLY 70 N -3.14 -0.27 0.15 0.00 0.00 -0.52 -0.46 107.32 103.09 1i78 s GLY 70 Ca 0.29 1.69 -0.18 0.00 0.00 0.00 0.00 44.72 46.51 1i78 s GLY 70 CO 0.06 0.56 0.48 0.66 0.00 0.00 0.00 173.10 174.86 1i78 s TRP 71 N -2.31 -0.26 0.05 1.90 1.48 0.09 -0.78 118.94 119.11 1i78 s TRP 71 Ca 0.10 -0.04 -0.26 0.00 -1.06 0.00 0.00 56.10 54.85 1i78 s TRP 71 Cb -0.01 0.37 0.06 0.00 -1.16 0.00 0.00 33.47 32.73 1i78 s TRP 71 CO -0.04 -0.80 0.60 -0.08 -4.06 0.00 0.00 176.95 172.58 1i78 s THR 72 N -3.81 0.01 0.40 0.66 -1.32 -0.76 -1.00 115.64 109.82 1i78 s THR 72 Ca 0.04 -0.08 -0.24 0.00 -1.21 0.00 0.00 61.69 60.20 1i78 s THR 72 Cb 0.00 -0.99 -0.08 0.00 -1.51 0.00 0.00 72.50 69.92 1i78 s THR 72 CO -0.10 -0.04 1.11 0.42 -2.21 0.00 0.00 174.62 173.80 1i78 s THR 73 N -2.41 3.41 -1.11 5.08 -4.23 -0.60 -1.35 115.64 114.43 1i78 s THR 73 Ca -0.05 1.13 -0.04 0.00 -1.18 0.00 0.00 61.69 61.55 1i78 s THR 73 Cb -0.01 -3.60 0.28 0.00 1.34 0.00 0.00 72.50 70.51 1i78 s THR 73 CO -0.01 0.05 1.74 0.18 -0.54 0.00 0.00 174.62 176.04 1i78 n LEU 74 N -0.03 6.95 0.00 4.79 4.77 0.49 -4.85 117.00 129.11 1i78 n LEU 74 Ca 0.05 -5.18 0.00 0.00 -0.03 0.00 0.00 56.01 50.85 1i78 n LEU 74 Cb 0.48 -1.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1i78 n LEU 74 CO 0.48 1.82 0.00 0.61 -1.33 0.00 0.00 177.39 178.97 1i78 n GLY 75 N 1.06 0.78 3.88 -0.72 0.00 -1.26 -4.83 105.19 104.09 1i78 n GLY 75 Ca 0.38 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 1i78 n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i78 s SER 76 N 0.00 3.16 -0.23 1.61 0.01 -1.26 -4.80 113.70 112.19 1i78 s SER 76 Ca 0.00 0.46 -0.11 0.00 1.31 0.00 0.00 55.95 57.60 1i78 s SER 76 Cb 0.00 -0.65 0.08 0.00 0.21 0.00 0.00 66.02 65.67 1i78 s SER 76 CO 0.00 -2.72 0.54 -0.60 0.41 0.00 0.00 173.24 170.87 1i78 s ARG 77 N -5.73 0.52 0.28 12.44 3.00 -0.76 -4.88 118.95 123.81 1i78 s ARG 77 Ca 0.71 1.08 -0.29 0.00 -1.00 0.00 0.00 55.73 56.22 1i78 s ARG 77 Cb -0.07 0.22 -0.10 0.00 0.00 0.00 0.00 34.95 35.00 1i78 s ARG 77 CO 0.53 -0.18 1.14 0.20 0.00 0.00 0.00 175.30 176.99 1i78 s GLY 78 N 1.89 3.03 0.00 8.12 0.00 -1.26 0.18 107.32 119.28 1i78 s GLY 78 Ca -0.08 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.60 1i78 s GLY 78 CO -0.16 1.59 0.00 0.61 0.00 0.00 0.00 173.10 175.14 1i78 n GLY 79 N 1.20 5.30 3.35 0.20 0.00 0.29 -4.63 105.19 110.90 1i78 n GLY 79 Ca -0.01 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 1i78 n GLY 79 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i78 s ASN 80 N 1.00 -0.34 -0.19 1.61 3.84 -0.60 -4.15 114.94 116.11 1i78 s ASN 80 Ca 0.00 -0.10 -0.14 0.00 0.21 0.00 0.00 52.86 52.83 1i78 s ASN 80 Cb 0.00 0.49 0.06 0.00 -0.55 0.00 0.00 41.25 41.25 1i78 s ASN 80 CO 0.00 -0.81 0.49 0.00 -2.79 0.00 0.00 177.10 173.98 1i78 s MET 81 N -3.27 0.53 -0.05 0.43 0.23 -1.09 -1.37 119.30 114.70 1i78 s MET 81 Ca -0.01 0.78 0.03 0.00 -1.03 0.00 0.00 55.69 55.47 1i78 s MET 81 Cb 0.00 0.16 0.00 0.00 -1.53 0.00 0.00 34.83 33.46 1i78 s MET 81 CO -0.08 -0.11 -0.14 0.08 -2.03 0.00 0.00 175.02 172.73 1i78 s VAL 82 N 0.82 1.25 -0.27 5.16 1.01 -1.06 -1.01 120.40 126.30 1i78 s VAL 82 Ca -0.05 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1i78 s VAL 82 Cb -0.05 -1.11 0.07 0.00 0.00 0.00 0.00 36.38 35.29 1i78 s VAL 82 CO -0.06 0.37 -0.06 -0.62 0.00 0.00 0.00 175.10 174.72 1i78 s ASP 83 N 0.31 4.37 0.21 3.32 -1.08 -0.45 -0.58 116.67 122.78 1i78 s ASP 83 Ca -0.09 -1.49 0.07 0.00 -0.52 0.00 0.00 52.55 50.53 1i78 s ASP 83 Cb -0.13 -1.47 -0.04 0.00 -1.46 0.00 0.00 42.92 39.82 1i78 s ASP 83 CO 0.03 -0.24 0.07 -1.10 0.52 0.00 0.00 175.17 174.45 1i78 s GLN 84 N 1.14 2.58 0.03 4.34 -0.21 -0.78 -1.35 119.66 125.41 1i78 s GLN 84 Ca -0.04 -1.13 0.02 0.00 0.02 0.00 0.00 55.36 54.22 1i78 s GLN 84 Cb -0.20 -2.40 -0.02 0.00 1.00 0.00 0.00 33.01 31.39 1i78 s GLN 84 CO -0.06 0.42 -0.06 -0.51 -2.12 0.00 0.00 175.29 172.96 1i78 s ASP 85 N -3.37 0.68 -0.63 5.90 1.01 -0.21 -2.04 116.67 118.01 1i78 s ASP 85 Ca 0.30 -0.50 0.06 0.00 0.71 0.00 0.00 52.55 53.12 1i78 s ASP 85 Cb -0.08 0.04 0.21 0.00 1.01 0.00 0.00 42.92 44.10 1i78 s ASP 85 CO 0.21 -0.20 0.58 0.79 0.21 0.00 0.00 175.17 176.76 1i78 n TRP 86 N 1.62 2.78 0.71 4.23 8.01 -0.42 0.22 117.44 134.59 1i78 n TRP 86 Ca -0.22 -4.11 0.12 0.00 -1.31 0.00 0.00 57.50 51.98 1i78 n TRP 86 Cb 0.55 -0.50 0.48 0.00 -2.01 0.00 0.00 31.31 29.83 1i78 n TRP 86 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.69 175.35 1i78 n MET 87 N 1.56 0.13 -3.12 -0.99 2.81 -1.26 -4.57 117.12 111.67 1i78 n MET 87 Ca 0.25 0.17 -0.45 0.00 -1.81 0.00 0.00 57.70 55.86 1i78 n MET 87 Cb 0.40 -1.67 -0.04 0.00 -0.71 0.00 0.00 33.22 31.20 1i78 n MET 87 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1i78 s ASP 88 N -3.76 6.39 0.01 7.83 3.68 -1.26 -4.88 116.67 124.69 1i78 s ASP 88 Ca 0.11 -1.83 0.08 0.00 2.13 0.00 0.00 52.55 53.03 1i78 s ASP 88 Cb 0.14 -2.30 0.35 0.00 -1.45 0.00 0.00 42.92 39.66 1i78 s ASP 88 CO 0.50 -0.99 1.26 -1.54 0.13 0.00 0.00 175.17 174.54 1i78 n SER 89 N 5.85 0.03 0.02 -0.34 3.41 -1.26 -0.97 113.62 120.36 1i78 n SER 89 Ca 0.02 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 1i78 n SER 89 Cb 0.45 -0.52 0.13 0.00 -0.26 0.00 0.00 64.21 64.01 1i78 n SER 89 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1i78 n SER 90 N -1.54 0.62 -2.73 4.04 3.41 -1.26 -4.25 113.62 111.91 1i78 n SER 90 Ca 0.02 -0.24 -0.05 0.00 -0.26 0.00 0.00 58.87 58.33 1i78 n SER 90 Cb 0.09 0.46 0.04 0.00 -0.26 0.00 0.00 64.21 64.55 1i78 n SER 90 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1i78 n ASN 91 N -1.75 1.29 -4.66 4.04 3.02 -0.14 -5.08 115.26 111.99 1i78 n ASN 91 Ca 0.04 -2.41 -0.42 0.00 -0.03 0.00 0.00 54.58 51.75 1i78 n ASN 91 Cb 0.38 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 1i78 n ASN 91 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1i78 s PRO 92 N -3.19 4.12 0.00 3.52 0.02 -0.76 -2.85 135.00 135.86 1i78 s PRO 92 Ca 0.26 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.42 1i78 s PRO 92 Cb 0.40 -4.00 0.00 0.00 0.02 0.00 0.00 34.50 30.92 1i78 s PRO 92 CO -0.00 -0.92 0.00 0.41 -0.33 0.00 0.00 177.00 176.16 1i78 n GLY 93 N 4.23 0.72 3.01 0.52 0.00 -1.26 -5.09 105.19 107.31 1i78 n GLY 93 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1i78 n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i78 s THR 94 N 0.00 1.43 0.51 2.61 -4.23 -1.13 -5.12 115.64 109.70 1i78 s THR 94 Ca 0.00 -0.56 -0.22 0.00 -1.18 0.00 0.00 61.69 59.73 1i78 s THR 94 Cb 0.00 -1.34 -0.06 0.00 1.34 0.00 0.00 72.50 72.44 1i78 s THR 94 CO 0.00 0.43 1.21 -1.66 -0.54 0.00 0.00 174.62 174.06 1i78 s TRP 95 N 1.35 2.66 -0.08 3.99 1.48 -1.26 -4.82 118.94 122.25 1i78 s TRP 95 Ca 0.01 1.50 0.17 0.00 -1.06 0.00 0.00 56.10 56.71 1i78 s TRP 95 Cb -0.13 -3.47 -0.25 0.00 -1.16 0.00 0.00 33.47 28.46 1i78 s TRP 95 CO -0.07 -1.90 0.25 0.25 -4.06 0.00 0.00 176.95 171.42 1i78 n THR 96 N -0.85 0.48 -3.78 0.66 -2.24 0.13 -4.97 114.28 103.72 1i78 n THR 96 Ca 0.09 -0.53 -0.14 0.00 -2.27 0.00 0.00 64.05 61.20 1i78 n THR 96 Cb 0.48 -0.18 -0.15 0.00 -2.10 0.00 0.00 70.33 68.38 1i78 n THR 96 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1i78 s ASP 97 N -4.48 -0.05 -0.09 3.42 1.11 -1.15 -3.01 116.67 112.43 1i78 s ASP 97 Ca -0.07 0.19 -0.01 0.00 0.18 0.00 0.00 52.55 52.84 1i78 s ASP 97 Cb 0.09 0.10 0.03 0.00 1.07 0.00 0.00 42.92 44.21 1i78 s ASP 97 CO 0.72 -0.12 -0.03 -0.70 1.18 0.00 0.00 175.17 176.23 1i78 s GLU 98 N 0.89 0.93 -0.20 8.23 2.12 -1.21 -1.05 118.70 128.41 1i78 s GLU 98 Ca -0.07 -0.02 -0.04 0.00 0.36 0.00 0.00 54.97 55.20 1i78 s GLU 98 Cb -0.09 -1.19 -0.01 0.00 0.26 0.00 0.00 34.13 33.09 1i78 s GLU 98 CO -0.04 -0.29 -0.04 0.00 -0.54 0.00 0.00 175.26 174.36 1i78 s ALA 99 N 1.88 2.87 -0.10 6.30 0.00 -0.46 -1.97 121.76 130.28 1i78 s ALA 99 Ca 0.05 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 1i78 s ALA 99 Cb -0.12 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 1i78 s ALA 99 CO -0.06 -0.26 0.07 1.03 0.00 0.00 0.00 175.76 176.54 1i78 s ARG 100 N 1.19 3.21 -0.43 0.00 0.52 0.43 -1.34 118.95 122.54 1i78 s ARG 100 Ca 0.02 -0.27 0.02 0.00 -0.52 0.00 0.00 55.73 54.98 1i78 s ARG 100 Cb -0.14 -2.99 0.14 0.00 0.52 0.00 0.00 34.95 32.48 1i78 s ARG 100 CO -0.00 0.74 0.27 -1.01 0.02 0.00 0.00 175.30 175.31 1i78 s HIS 101 N -0.97 1.55 0.29 -0.53 3.76 -0.18 -1.88 115.29 117.33 1i78 s HIS 101 Ca 0.14 -2.23 0.18 0.00 -0.15 0.00 0.00 55.06 53.01 1i78 s HIS 101 Cb -0.12 -1.48 0.83 0.00 1.11 0.00 0.00 32.58 32.92 1i78 s HIS 101 CO 0.04 -0.79 1.82 -1.35 -0.85 0.00 0.00 174.74 173.61 1i78 h PRO 102 N 6.54 0.00 -3.66 8.40 0.11 -1.84 -2.89 132.00 138.66 1i78 h PRO 102 Ca 0.07 0.00 -0.72 0.00 0.11 0.00 0.00 66.00 65.46 1i78 h PRO 102 Cb 0.92 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.97 1i78 h PRO 102 CO 0.41 0.34 2.95 -3.47 -0.21 0.00 0.00 178.00 178.02 1i78 n ASP 103 N -3.75 5.09 -4.26 -2.05 2.03 -1.26 -4.58 116.55 107.77 1i78 n ASP 103 Ca -0.01 -2.88 -0.20 0.00 0.52 0.00 0.00 54.79 52.22 1i78 n ASP 103 Cb 0.43 -1.59 -0.11 0.00 -0.72 0.00 0.00 41.12 39.13 1i78 n ASP 103 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1i78 s THR 104 N 2.15 1.50 -0.02 5.18 2.01 -1.25 -1.29 115.64 123.92 1i78 s THR 104 Ca 0.49 -1.70 -0.15 0.00 0.31 0.00 0.00 61.69 60.64 1i78 s THR 104 Cb 0.14 -1.57 0.02 0.00 0.01 0.00 0.00 72.50 71.11 1i78 s THR 104 CO -0.06 -0.31 0.32 0.00 -0.69 0.00 0.00 174.62 173.87 1i78 s GLN 105 N -2.48 0.68 -0.55 4.92 -2.07 -0.67 0.11 119.66 119.60 1i78 s GLN 105 Ca 0.09 -0.18 -0.23 0.00 -1.82 0.00 0.00 55.36 53.22 1i78 s GLN 105 Cb -0.06 0.30 0.05 0.00 -1.09 0.00 0.00 33.01 32.20 1i78 s GLN 105 CO 0.04 -0.19 0.88 -1.17 -1.32 0.00 0.00 175.29 173.53 1i78 s LEU 106 N -1.32 4.31 0.11 2.60 2.96 0.47 -2.40 118.68 125.41 1i78 s LEU 106 Ca -0.13 -0.51 -0.21 0.00 -0.22 0.00 0.00 54.13 53.05 1i78 s LEU 106 Cb -0.05 -2.72 -0.09 0.00 0.50 0.00 0.00 46.19 43.83 1i78 s LEU 106 CO 0.04 -1.17 1.74 0.78 -1.32 0.00 0.00 176.35 176.42 1i78 h ASN 107 N 9.26 0.00 -5.30 3.68 2.35 -0.53 -2.03 115.58 123.01 1i78 h ASN 107 Ca -0.27 0.02 0.17 0.00 -0.55 0.00 0.00 56.30 55.67 1i78 h ASN 107 Cb 1.08 0.02 -0.08 0.00 0.05 0.00 0.00 38.32 39.39 1i78 h ASN 107 CO 1.07 0.02 0.46 -0.72 -1.65 0.00 0.00 177.43 176.61 1i78 s TYR 108 N -6.19 -0.13 -0.19 1.19 -0.85 -1.22 -3.98 117.35 105.99 1i78 s TYR 108 Ca -0.13 -0.20 -0.28 0.00 -0.52 0.00 0.00 57.07 55.94 1i78 s TYR 108 Cb 0.08 0.65 0.09 0.00 0.38 0.00 0.00 41.96 43.16 1i78 s TYR 108 CO 0.67 -0.88 0.81 0.00 -1.52 0.00 0.00 175.55 174.64 1i78 s ALA 109 N -3.31 -1.84 0.33 9.51 0.00 -1.26 -2.38 121.76 122.82 1i78 s ALA 109 Ca 0.12 1.71 -0.13 0.00 0.00 0.00 0.00 51.96 53.66 1i78 s ALA 109 Cb -0.02 -0.78 0.03 0.00 0.00 0.00 0.00 23.12 22.34 1i78 s ALA 109 CO 0.03 -0.32 0.65 0.54 0.00 0.00 0.00 175.76 176.66 1i78 s ASN 110 N -0.38 0.16 -0.27 0.00 4.22 -0.91 -1.56 114.94 116.21 1i78 s ASN 110 Ca -0.03 -1.10 -0.26 0.00 -2.14 0.00 0.00 52.86 49.34 1i78 s ASN 110 Cb -0.03 0.74 0.12 0.00 1.28 0.00 0.00 41.25 43.37 1i78 s ASN 110 CO 0.03 -1.45 1.03 -0.70 -2.04 0.00 0.00 177.10 173.97 1i78 s GLU 111 N -3.06 0.51 0.15 3.55 -6.30 -0.17 -1.69 118.70 111.68 1i78 s GLU 111 Ca 0.19 0.54 0.06 0.00 -2.50 0.00 0.00 54.97 53.26 1i78 s GLU 111 Cb -0.03 0.25 -0.04 0.00 0.00 0.00 0.00 34.13 34.30 1i78 s GLU 111 CO 0.12 -0.07 -0.13 -0.59 0.02 0.00 0.00 175.26 174.61 1i78 s PHE 112 N 0.07 1.40 -0.19 5.30 -0.12 -0.94 -0.73 117.98 122.78 1i78 s PHE 112 Ca 0.03 -0.64 -0.10 0.00 -0.05 0.00 0.00 56.93 56.17 1i78 s PHE 112 Cb -0.04 -0.71 0.07 0.00 -0.63 0.00 0.00 43.02 41.71 1i78 s PHE 112 CO -0.05 0.16 0.45 0.34 -0.05 0.00 0.00 175.22 176.07 1i78 s ASP 113 N -2.90 -0.55 -0.11 1.98 3.68 0.39 -2.21 116.67 116.96 1i78 s ASP 113 Ca 0.14 1.00 0.03 0.00 2.13 0.00 0.00 52.55 55.86 1i78 s ASP 113 Cb -0.01 0.96 -0.00 0.00 -1.45 0.00 0.00 42.92 42.41 1i78 s ASP 113 CO 0.03 -0.21 -0.22 -0.76 0.13 0.00 0.00 175.17 174.14 1i78 s LEU 114 N 1.62 2.17 0.26 -1.34 1.43 -0.73 0.31 118.68 122.40 1i78 s LEU 114 Ca -0.08 -0.53 -0.08 0.00 -1.03 0.00 0.00 54.13 52.40 1i78 s LEU 114 Cb -0.08 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 1i78 s LEU 114 CO -0.14 0.15 0.39 0.54 0.23 0.00 0.00 176.35 177.53 1i78 s ASN 115 N 0.38 0.17 0.04 2.29 2.20 -0.25 -1.24 114.94 118.53 1i78 s ASN 115 Ca -0.17 -1.16 0.04 0.00 -0.94 0.00 0.00 52.86 50.64 1i78 s ASN 115 Cb -0.18 0.55 -0.02 0.00 -2.00 0.00 0.00 41.25 39.60 1i78 s ASN 115 CO 0.08 -1.10 -0.13 0.27 -2.94 0.00 0.00 177.10 173.28 1i78 s ILE 116 N -3.86 1.02 -0.11 0.54 -4.36 -0.17 -1.76 121.20 112.51 1i78 s ILE 116 Ca 0.28 -0.97 0.03 0.00 -0.26 0.00 0.00 60.65 59.73 1i78 s ILE 116 Cb 0.01 -0.94 0.01 0.00 1.25 0.00 0.00 42.46 42.79 1i78 s ILE 116 CO 0.12 -0.03 -0.20 -0.54 0.24 0.00 0.00 174.94 174.54 1i78 s LYS 117 N -1.13 2.67 -0.40 0.37 1.02 -0.21 -2.21 119.74 119.85 1i78 s LYS 117 Ca 0.01 -0.73 -0.08 0.00 0.02 0.00 0.00 55.97 55.18 1i78 s LYS 117 Cb -0.08 -2.13 0.07 0.00 -0.52 0.00 0.00 37.83 35.17 1i78 s LYS 117 CO 0.01 0.04 0.22 0.20 -0.92 0.00 0.00 175.35 174.90 1i78 s GLY 118 N 0.69 1.94 0.03 -3.33 0.00 0.09 -1.76 107.32 104.99 1i78 s GLY 118 Ca -0.12 -2.08 -0.30 0.00 0.00 0.00 0.00 44.72 42.22 1i78 s GLY 118 CO 0.02 0.93 1.36 -0.98 0.00 0.00 0.00 173.10 174.43 1i78 s TRP 119 N 1.41 3.04 -0.15 1.90 0.52 0.24 -0.45 118.94 125.46 1i78 s TRP 119 Ca 0.02 0.94 0.11 0.00 0.02 0.00 0.00 56.10 57.19 1i78 s TRP 119 Cb -0.22 -3.62 -0.23 0.00 -1.15 0.00 0.00 33.47 28.25 1i78 s TRP 119 CO 0.02 -2.21 0.24 1.28 0.02 0.00 0.00 176.95 176.30 1i78 n LEU 120 N 4.82 1.09 -3.87 2.99 4.32 0.81 -4.86 117.00 122.31 1i78 n LEU 120 Ca 0.12 0.13 -0.18 0.00 -0.02 0.00 0.00 56.01 56.06 1i78 n LEU 120 Cb 0.44 -0.04 -0.16 0.00 -1.62 0.00 0.00 43.42 42.04 1i78 n LEU 120 CO 0.58 0.58 -0.39 -0.76 -1.22 0.00 0.00 177.39 176.18 1i78 s LEU 121 N -6.04 1.35 -0.39 2.23 1.43 -0.76 -4.82 118.68 111.68 1i78 s LEU 121 Ca -0.14 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1i78 s LEU 121 Cb 0.07 -0.34 0.16 0.00 0.03 0.00 0.00 46.19 46.11 1i78 s LEU 121 CO 0.78 -0.06 0.38 0.21 0.23 0.00 0.00 176.35 177.90 1i78 s ASN 122 N 0.83 1.18 0.52 2.29 3.84 -1.26 -1.12 114.94 121.22 1i78 s ASN 122 Ca -0.10 -1.91 0.02 0.00 0.21 0.00 0.00 52.86 51.08 1i78 s ASN 122 Cb -0.13 0.41 -0.00 0.00 -0.55 0.00 0.00 41.25 40.98 1i78 s ASN 122 CO -0.00 -0.23 0.07 -1.61 -2.79 0.00 0.00 177.10 172.53 1i78 s GLU 123 N 1.11 2.21 0.33 0.43 0.41 0.02 -4.30 118.70 118.91 1i78 s GLU 123 Ca 0.21 -2.35 0.11 0.00 -0.41 0.00 0.00 54.97 52.53 1i78 s GLU 123 Cb -0.12 -1.62 0.57 0.00 -1.78 0.00 0.00 34.13 31.18 1i78 s GLU 123 CO -0.05 -0.41 1.74 -1.35 -0.49 0.00 0.00 175.26 174.71 1i78 h PRO 124 N 1.25 0.03 -0.01 0.39 0.11 -2.01 -3.28 132.00 128.47 1i78 h PRO 124 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1i78 h PRO 124 Cb 1.31 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1i78 h PRO 124 CO 0.71 0.48 -0.10 0.09 -0.21 0.00 0.00 178.00 178.98 1i78 n ASN 125 N -4.00 1.85 -3.60 -2.05 3.02 -1.26 -4.92 115.26 104.29 1i78 n ASN 125 Ca -0.02 -1.43 -0.15 0.00 -0.03 0.00 0.00 54.58 52.96 1i78 n ASN 125 Cb 0.48 0.17 -0.07 0.00 -0.61 0.00 0.00 39.78 39.76 1i78 n ASN 125 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1i78 s TYR 126 N -1.30 -0.73 -0.01 3.10 -0.85 -1.24 0.18 117.35 116.51 1i78 s TYR 126 Ca 0.14 1.66 0.01 0.00 -0.52 0.00 0.00 57.07 58.36 1i78 s TYR 126 Cb 0.11 0.31 -0.00 0.00 0.38 0.00 0.00 41.96 42.76 1i78 s TYR 126 CO 0.22 -0.42 -0.03 0.50 -1.52 0.00 0.00 175.55 174.30 1i78 s ARG 127 N -0.02 0.32 -0.06 -3.49 3.52 -0.57 -0.80 118.95 117.84 1i78 s ARG 127 Ca -0.02 -0.12 -0.03 0.00 -0.13 0.00 0.00 55.73 55.43 1i78 s ARG 127 Cb -0.04 -0.32 0.04 0.00 -1.56 0.00 0.00 34.95 33.07 1i78 s ARG 127 CO 0.03 0.06 0.11 -1.17 -0.81 0.00 0.00 175.30 173.52 1i78 s LEU 128 N 0.01 0.13 -0.00 -0.88 0.20 -0.27 -1.63 118.68 116.24 1i78 s LEU 128 Ca 0.00 0.20 -0.07 0.00 0.69 0.00 0.00 54.13 54.96 1i78 s LEU 128 Cb -0.03 0.08 0.00 0.00 -0.43 0.00 0.00 46.19 45.81 1i78 s LEU 128 CO -0.00 -0.23 0.13 -0.83 -0.29 0.00 0.00 176.35 175.13 1i78 s GLY 129 N 2.10 0.04 0.48 7.98 0.00 -0.54 -0.14 107.32 117.24 1i78 s GLY 129 Ca 0.02 -0.11 -0.16 0.00 0.00 0.00 0.00 44.72 44.47 1i78 s GLY 129 CO -0.04 -0.24 0.93 1.08 0.00 0.00 0.00 173.10 174.82 1i78 s LEU 130 N -1.29 3.72 0.12 0.66 1.43 0.41 -1.62 118.68 122.10 1i78 s LEU 130 Ca -0.14 1.49 0.05 0.00 -1.03 0.00 0.00 54.13 54.50 1i78 s LEU 130 Cb -0.07 -4.40 -0.04 0.00 0.03 0.00 0.00 46.19 41.71 1i78 s LEU 130 CO 0.01 -0.51 -0.12 -0.04 0.23 0.00 0.00 176.35 175.92 1i78 s MET 131 N -3.87 0.99 -0.18 1.70 -1.94 -0.36 -0.73 119.30 114.90 1i78 s MET 131 Ca 0.58 -1.25 -0.09 0.00 -1.71 0.00 0.00 55.69 53.22 1i78 s MET 131 Cb -0.10 -0.77 0.07 0.00 2.01 0.00 0.00 34.83 36.04 1i78 s MET 131 CO 0.28 0.14 0.42 0.00 -0.01 0.00 0.00 175.02 175.85 1i78 s ALA 132 N -2.38 -1.10 0.12 3.03 0.00 -0.94 -1.57 121.76 118.92 1i78 s ALA 132 Ca 0.09 1.54 -0.07 0.00 0.00 0.00 0.00 51.96 53.52 1i78 s ALA 132 Cb -0.03 -1.08 0.03 0.00 0.00 0.00 0.00 23.12 22.04 1i78 s ALA 132 CO 0.02 -0.43 0.35 0.41 0.00 0.00 0.00 175.76 176.11 1i78 n GLY 133 N 4.65 1.34 2.89 0.00 0.00 0.12 -1.00 105.19 113.19 1i78 n GLY 133 Ca -0.18 -1.06 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 1i78 n GLY 133 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1i78 s TYR 134 N -5.51 0.33 0.06 1.61 5.04 -0.37 0.22 117.35 118.73 1i78 s TYR 134 Ca 0.07 -0.05 0.03 0.00 -2.44 0.00 0.00 57.07 54.69 1i78 s TYR 134 Cb -0.02 -0.29 -0.03 0.00 0.35 0.00 0.00 41.96 41.98 1i78 s TYR 134 CO 0.03 -0.05 -0.10 -0.65 -1.34 0.00 0.00 175.55 173.44 1i78 s GLN 135 N 0.33 0.70 -0.03 4.97 -0.21 -0.21 -1.77 119.66 123.43 1i78 s GLN 135 Ca -0.03 -0.91 -0.00 0.00 0.02 0.00 0.00 55.36 54.43 1i78 s GLN 135 Cb -0.06 -0.52 0.03 0.00 1.00 0.00 0.00 33.01 33.45 1i78 s GLN 135 CO -0.01 0.10 0.02 -1.21 -2.12 0.00 0.00 175.29 172.08 1i78 s GLU 136 N -1.91 0.14 0.09 2.91 2.02 -0.94 0.71 118.70 121.72 1i78 s GLU 136 Ca -0.04 0.18 0.07 0.00 0.02 0.00 0.00 54.97 55.19 1i78 s GLU 136 Cb -0.08 -0.45 -0.03 0.00 0.10 0.00 0.00 34.13 33.66 1i78 s GLU 136 CO 0.01 -0.20 -0.17 -1.54 0.02 0.00 0.00 175.26 173.38 1i78 s SER 137 N 1.35 2.09 0.02 -0.19 1.04 -0.69 -2.20 113.70 115.12 1i78 s SER 137 Ca -0.05 -0.66 0.04 0.00 0.48 0.00 0.00 55.95 55.75 1i78 s SER 137 Cb -0.13 -0.09 -0.01 0.00 0.10 0.00 0.00 66.02 65.88 1i78 s SER 137 CO -0.03 -0.02 -0.11 -0.13 0.98 0.00 0.00 173.24 173.93 1i78 s ARG 138 N -1.88 0.80 0.04 4.02 0.52 -0.68 -1.36 118.95 120.41 1i78 s ARG 138 Ca 0.03 -0.55 0.04 0.00 -0.52 0.00 0.00 55.73 54.72 1i78 s ARG 138 Cb -0.10 -0.76 -0.02 0.00 0.52 0.00 0.00 34.95 34.59 1i78 s ARG 138 CO 0.03 0.20 -0.11 0.71 0.02 0.00 0.00 175.30 176.15 1i78 s TYR 139 N -0.60 0.93 -0.08 -0.53 1.51 -1.01 -2.14 117.35 115.42 1i78 s TYR 139 Ca 0.01 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.65 1i78 s TYR 139 Cb -0.06 -0.55 0.04 0.00 -0.11 0.00 0.00 41.96 41.29 1i78 s TYR 139 CO 0.00 -0.01 0.15 0.45 -1.11 0.00 0.00 175.55 175.03 1i78 s SER 140 N -1.29 0.77 0.34 2.29 0.15 -1.00 -0.62 113.70 114.33 1i78 s SER 140 Ca -0.03 0.30 0.06 0.00 0.70 0.00 0.00 55.95 56.98 1i78 s SER 140 Cb -0.08 0.23 -0.07 0.00 -1.71 0.00 0.00 66.02 64.39 1i78 s SER 140 CO 0.01 -0.24 -0.01 -0.36 1.20 0.00 0.00 173.24 173.84 1i78 s PHE 141 N 2.25 2.17 -0.19 3.44 0.40 0.58 0.19 117.98 126.81 1i78 s PHE 141 Ca 0.03 -0.75 -0.10 0.00 -0.60 0.00 0.00 56.93 55.51 1i78 s PHE 141 Cb -0.12 -1.38 0.06 0.00 0.51 0.00 0.00 43.02 42.09 1i78 s PHE 141 CO -0.05 0.28 0.46 0.99 0.70 0.00 0.00 175.22 177.60 1i78 s THR 142 N -2.97 -0.03 0.00 0.64 2.01 -1.01 -1.43 115.64 112.85 1i78 s THR 142 Ca 0.34 0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.49 1i78 s THR 142 Cb 0.07 -0.68 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 1i78 s THR 142 CO 0.15 0.03 -0.25 0.00 -0.69 0.00 0.00 174.62 173.86 1i78 s ALA 143 N 1.46 2.22 0.06 7.40 0.00 -0.54 -1.67 121.76 130.69 1i78 s ALA 143 Ca -0.10 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 50.73 1i78 s ALA 143 Cb -0.08 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 1i78 s ALA 143 CO -0.14 0.53 -0.08 1.03 0.00 0.00 0.00 175.76 177.10 1i78 s ARG 144 N -0.83 0.63 2.81 0.00 0.52 -0.42 -1.45 118.95 120.22 1i78 s ARG 144 Ca 0.11 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.40 1i78 s ARG 144 Cb -0.10 -0.33 0.00 0.00 0.52 0.00 0.00 34.95 35.04 1i78 s ARG 144 CO 0.00 0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.78 1i78 n GLY 145 N 1.09 2.92 0.00 -3.53 0.00 -1.20 -4.29 105.19 100.19 1i78 n GLY 145 Ca -0.20 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1i78 n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i78 n GLY 146 N 0.00 -0.90 3.86 -0.02 0.00 -1.26 -4.79 105.19 102.08 1i78 n GLY 146 Ca 0.00 -1.66 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 1i78 n GLY 146 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i78 s SER 147 N -3.36 5.10 0.32 1.61 1.04 -0.79 -0.98 113.70 116.63 1i78 s SER 147 Ca 0.00 -0.66 0.04 0.00 0.48 0.00 0.00 55.95 55.81 1i78 s SER 147 Cb 0.00 -0.72 -0.03 0.00 0.10 0.00 0.00 66.02 65.37 1i78 s SER 147 CO 0.00 -0.52 0.30 -0.72 0.98 0.00 0.00 173.24 173.28 1i78 s TYR 148 N -2.41 1.56 -0.47 5.02 1.13 -1.16 -0.43 117.35 120.58 1i78 s TYR 148 Ca 0.45 -1.56 0.06 0.00 -1.41 0.00 0.00 57.07 54.61 1i78 s TYR 148 Cb -0.04 -0.58 0.23 0.00 -1.10 0.00 0.00 41.96 40.48 1i78 s TYR 148 CO 0.27 -0.90 0.80 -0.89 -2.51 0.00 0.00 175.55 172.32 1i78 n ILE 149 N -0.57 -0.15 -1.96 -3.49 5.41 -0.83 -3.03 119.36 114.74 1i78 n ILE 149 Ca 0.06 -1.90 -0.29 0.00 1.00 0.00 0.00 62.75 61.61 1i78 n ILE 149 Cb 0.63 0.79 0.13 0.00 -0.71 0.00 0.00 39.64 40.48 1i78 n ILE 149 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1i78 s TYR 150 N 0.40 2.27 -0.25 1.39 2.02 -0.06 -3.29 117.35 119.82 1i78 s TYR 150 Ca 0.32 0.49 -0.02 0.00 -0.37 0.00 0.00 57.07 57.49 1i78 s TYR 150 Cb 0.19 -3.74 0.02 0.00 -0.40 0.00 0.00 41.96 38.03 1i78 s TYR 150 CO -0.20 -2.15 -0.04 -1.12 -1.57 0.00 0.00 175.55 170.46 1i78 s SER 151 N -4.72 4.40 1.43 2.29 0.01 -1.16 -1.74 113.70 114.20 1i78 s SER 151 Ca 0.68 -0.82 -0.22 0.00 1.31 0.00 0.00 55.95 56.89 1i78 s SER 151 Cb -0.07 -1.69 0.37 0.00 0.21 0.00 0.00 66.02 64.83 1i78 s SER 151 CO 0.50 -0.13 0.91 -0.94 0.41 0.00 0.00 173.24 174.00 1i78 s SER 152 N 1.35 -1.17 0.06 2.44 1.04 -1.26 -4.86 113.70 111.31 1i78 s SER 152 Ca 0.01 0.97 -0.23 0.00 0.48 0.00 0.00 55.95 57.18 1i78 s SER 152 Cb -0.17 -1.40 -0.11 0.00 0.10 0.00 0.00 66.02 64.45 1i78 s SER 152 CO -0.04 -5.44 1.36 -0.08 0.98 0.00 0.00 173.24 170.02 1i78 h GLU 153 N -3.47 -0.57 -0.79 4.02 4.22 -2.05 -3.00 114.58 112.93 1i78 h GLU 153 Ca -0.46 0.04 -0.47 0.00 0.08 0.00 0.00 59.36 58.55 1i78 h GLU 153 Cb 1.35 0.13 -0.26 0.00 0.50 0.00 0.00 28.75 30.46 1i78 h GLU 153 CO 0.30 -0.38 0.34 0.39 -2.18 0.00 0.00 179.01 177.49 1i78 n GLU 154 N -4.40 2.41 -4.23 1.92 -0.58 -1.26 -4.98 120.64 109.51 1i78 n GLU 154 Ca -0.07 -3.27 -0.25 0.00 -0.42 0.00 0.00 57.16 53.15 1i78 n GLU 154 Cb 0.29 -2.12 -0.06 0.00 -0.57 0.00 0.00 31.44 28.98 1i78 n GLU 154 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i78 n GLY 155 N -1.03 3.47 2.81 0.62 0.00 -1.14 -5.15 105.19 104.77 1i78 n GLY 155 Ca 0.52 -2.21 -0.15 0.00 0.00 0.00 0.00 46.02 44.18 1i78 n GLY 155 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i78 s PHE 156 N -2.78 -0.45 -1.31 1.61 5.99 -1.26 -4.25 117.98 115.53 1i78 s PHE 156 Ca 0.10 0.45 -0.07 0.00 0.00 0.00 0.00 56.93 57.41 1i78 s PHE 156 Cb 0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 43.02 42.80 1i78 s PHE 156 CO 0.07 -0.63 0.56 0.54 -0.00 0.00 0.00 175.22 175.76 1i78 n ARG 157 N 5.33 -2.71 -0.03 10.12 1.74 -1.24 -4.89 116.66 124.98 1i78 n ARG 157 Ca -0.05 0.42 -0.05 0.00 -0.77 0.00 0.00 57.85 57.40 1i78 n ARG 157 Cb 0.50 -4.39 -0.03 0.00 -1.02 0.00 0.00 32.46 27.52 1i78 n ARG 157 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1i78 n ASP 158 N -2.87 2.84 -3.98 0.55 5.68 -0.98 -4.83 116.55 112.96 1i78 n ASP 158 Ca -0.24 -0.01 -0.38 0.00 -0.50 0.00 0.00 54.79 53.66 1i78 n ASP 158 Cb 0.65 -0.13 -0.05 0.00 -1.14 0.00 0.00 41.12 40.45 1i78 n ASP 158 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1i78 n ASP 159 N -2.83 2.83 -4.42 -1.12 4.64 -0.71 -4.88 116.55 110.06 1i78 n ASP 159 Ca -0.12 -2.70 -0.44 0.00 -1.38 0.00 0.00 54.79 50.15 1i78 n ASP 159 Cb 0.62 -1.36 -0.04 0.00 -1.04 0.00 0.00 41.12 39.30 1i78 n ASP 159 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1i78 s ILE 160 N 6.96 4.54 0.00 5.18 1.01 -1.26 -0.88 121.20 136.74 1i78 s ILE 160 Ca 0.61 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.60 1i78 s ILE 160 Cb 0.09 -4.61 0.00 0.00 0.01 0.00 0.00 42.46 37.95 1i78 s ILE 160 CO 0.12 -1.33 0.00 0.61 0.00 0.00 0.00 174.94 174.34 1i78 n GLY 161 N 5.31 5.43 3.36 6.18 0.00 -1.17 -4.97 105.19 119.33 1i78 n GLY 161 Ca -0.05 -1.85 -0.15 0.00 0.00 0.00 0.00 46.02 43.97 1i78 n GLY 161 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1i78 s SER 162 N 0.95 -0.41 0.20 1.61 0.15 -1.26 -2.98 113.70 111.95 1i78 s SER 162 Ca 0.00 0.52 -0.02 0.00 0.70 0.00 0.00 55.95 57.15 1i78 s SER 162 Cb 0.00 0.57 -0.05 0.00 -1.71 0.00 0.00 66.02 64.84 1i78 s SER 162 CO 0.00 -0.41 0.41 -0.36 1.20 0.00 0.00 173.24 174.08 1i78 s PHE 163 N -0.83 3.48 0.07 3.44 0.40 -0.16 -4.94 117.98 119.44 1i78 s PHE 163 Ca -0.09 0.42 -0.30 0.00 -0.60 0.00 0.00 56.93 56.36 1i78 s PHE 163 Cb -0.03 -1.92 -0.10 0.00 0.51 0.00 0.00 43.02 41.49 1i78 s PHE 163 CO 0.05 0.36 1.94 -2.30 0.70 0.00 0.00 175.22 175.96 1i78 n PRO 164 N -0.56 2.87 -1.53 0.24 -0.02 -1.26 -4.58 135.00 130.16 1i78 n PRO 164 Ca -0.04 1.05 -0.36 0.00 -2.02 0.00 0.00 63.50 62.13 1i78 n PRO 164 Cb 0.53 -2.99 -0.08 0.00 -0.02 0.00 0.00 33.50 30.94 1i78 n PRO 164 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1i78 n ASN 165 N 6.95 1.48 0.00 2.55 2.85 -1.26 -1.40 115.26 126.43 1i78 n ASN 165 Ca 0.19 -0.33 0.00 0.00 -0.11 0.00 0.00 54.58 54.34 1i78 n ASN 165 Cb 0.40 -1.33 0.00 0.00 1.24 0.00 0.00 39.78 40.09 1i78 n ASN 165 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1i78 n GLY 166 N 6.20 2.96 0.00 8.20 0.00 -1.26 -4.95 105.19 116.34 1i78 n GLY 166 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1i78 n GLY 166 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i78 n GLU 167 N -1.83 3.33 0.00 1.61 -0.58 -0.49 -4.60 120.64 118.07 1i78 n GLU 167 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1i78 n GLU 167 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1i78 n GLU 167 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1i78 n ARG 168 N 0.00 0.00 -4.45 3.49 -4.01 -1.26 -3.95 116.66 106.48 1i78 n ARG 168 Ca 0.00 0.00 -0.22 0.00 -1.04 0.00 0.00 57.85 56.59 1i78 n ARG 168 Cb 0.00 0.00 -0.09 0.00 -3.04 0.00 0.00 32.46 29.33 1i78 n ARG 168 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1i78 s ALA 169 N 0.00 2.47 -0.06 2.89 0.00 -1.20 -3.20 121.76 122.66 1i78 s ALA 169 Ca 0.00 -1.66 -0.02 0.00 0.00 0.00 0.00 51.96 50.28 1i78 s ALA 169 Cb 0.00 0.80 0.04 0.00 0.00 0.00 0.00 23.12 23.95 1i78 s ALA 169 CO 0.00 -0.36 0.12 0.42 0.00 0.00 0.00 175.76 175.94 1i78 s ILE 170 N -3.35 -0.05 -0.16 0.00 1.01 -0.53 -2.16 121.20 115.96 1i78 s ILE 170 Ca 0.31 0.19 -0.06 0.00 0.00 0.00 0.00 60.65 61.08 1i78 s ILE 170 Cb 0.06 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.28 1i78 s ILE 170 CO 0.15 0.08 0.06 -0.83 0.00 0.00 0.00 174.94 174.40 1i78 s GLY 171 N 1.14 1.93 -0.17 6.18 0.00 -0.31 -1.47 107.32 114.62 1i78 s GLY 171 Ca -0.09 -0.74 -0.02 0.00 0.00 0.00 0.00 44.72 43.87 1i78 s GLY 171 CO -0.05 -0.10 0.01 -0.47 0.00 0.00 0.00 173.10 172.49 1i78 s TYR 172 N 0.00 1.17 0.11 1.90 5.04 -0.51 0.03 117.35 125.09 1i78 s TYR 172 Ca 0.06 -0.84 0.07 0.00 -2.44 0.00 0.00 57.07 53.92 1i78 s TYR 172 Cb -0.12 -1.07 -0.04 0.00 0.35 0.00 0.00 41.96 41.08 1i78 s TYR 172 CO 0.01 -0.57 -0.10 0.15 -1.34 0.00 0.00 175.55 173.70 1i78 s LYS 173 N 1.81 2.13 0.05 4.97 1.02 -0.49 -0.31 119.74 128.92 1i78 s LYS 173 Ca 0.00 -1.05 -0.01 0.00 0.02 0.00 0.00 55.97 54.94 1i78 s LYS 173 Cb -0.16 -2.30 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 1i78 s LYS 173 CO -0.07 0.50 -0.03 -0.65 -0.92 0.00 0.00 175.35 174.17 1i78 s GLN 174 N -2.28 0.59 -0.10 1.68 -0.21 0.20 -1.06 119.66 118.48 1i78 s GLN 174 Ca 0.22 -1.15 -0.05 0.00 0.02 0.00 0.00 55.36 54.40 1i78 s GLN 174 Cb -0.11 0.17 0.05 0.00 1.00 0.00 0.00 33.01 34.11 1i78 s GLN 174 CO 0.14 -0.10 0.24 0.50 -2.12 0.00 0.00 175.29 173.95 1i78 s ARG 175 N -3.60 0.20 -0.18 2.91 3.52 0.10 -2.41 118.95 119.49 1i78 s ARG 175 Ca 0.04 0.52 0.01 0.00 -0.13 0.00 0.00 55.73 56.17 1i78 s ARG 175 Cb 0.06 -0.13 0.03 0.00 -1.56 0.00 0.00 34.95 33.35 1i78 s ARG 175 CO -0.08 -0.16 -0.14 -0.06 -0.81 0.00 0.00 175.30 174.04 1i78 s PHE 176 N 1.25 2.50 -0.24 5.12 0.08 -0.46 -1.30 117.98 124.93 1i78 s PHE 176 Ca -0.09 -1.54 -0.08 0.00 0.12 0.00 0.00 56.93 55.34 1i78 s PHE 176 Cb -0.10 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.59 1i78 s PHE 176 CO -0.08 -0.75 0.10 0.15 -0.10 0.00 0.00 175.22 174.54 1i78 s LYS 177 N 1.38 3.79 -0.33 0.44 1.02 -0.67 -1.70 119.74 123.66 1i78 s LYS 177 Ca 0.02 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.60 1i78 s LYS 177 Cb -0.14 -3.38 0.11 0.00 -0.52 0.00 0.00 37.83 33.89 1i78 s LYS 177 CO -0.10 -0.09 0.12 -1.64 -0.92 0.00 0.00 175.35 172.71 1i78 s MET 178 N 1.40 0.86 0.25 1.68 -1.94 0.22 -2.05 119.30 119.72 1i78 s MET 178 Ca 0.06 -1.29 -0.30 0.00 -1.71 0.00 0.00 55.69 52.45 1i78 s MET 178 Cb -0.15 -2.12 -0.09 0.00 2.01 0.00 0.00 34.83 34.48 1i78 s MET 178 CO 0.05 -1.02 0.99 -2.14 -0.01 0.00 0.00 175.02 172.90 1i78 s PRO 179 N 1.35 4.78 0.15 2.03 0.02 -1.26 -1.05 135.00 141.03 1i78 s PRO 179 Ca 0.11 1.59 -0.15 0.00 0.02 0.00 0.00 61.00 62.58 1i78 s PRO 179 Cb -0.19 -3.25 0.02 0.00 0.02 0.00 0.00 34.50 31.10 1i78 s PRO 179 CO -0.19 0.41 0.41 1.52 -0.33 0.00 0.00 177.00 178.81 1i78 s TYR 180 N -1.13 -0.03 0.21 6.54 -0.85 0.13 -4.60 117.35 117.64 1i78 s TYR 180 Ca 0.42 -0.32 0.11 0.00 -0.52 0.00 0.00 57.07 56.77 1i78 s TYR 180 Cb -0.28 0.22 -0.05 0.00 0.38 0.00 0.00 41.96 42.24 1i78 s TYR 180 CO 0.35 -0.77 -0.20 0.96 -1.52 0.00 0.00 175.55 174.37 1i78 s ILE 181 N -3.87 2.55 0.16 -3.49 -4.36 -0.63 -0.71 121.20 110.86 1i78 s ILE 181 Ca 0.08 -2.06 -0.05 0.00 -0.26 0.00 0.00 60.65 58.36 1i78 s ILE 181 Cb 0.01 -2.26 0.02 0.00 1.25 0.00 0.00 42.46 41.48 1i78 s ILE 181 CO -0.06 -0.19 0.30 0.61 0.24 0.00 0.00 174.94 175.83 1i78 n GLY 182 N -0.02 1.83 2.86 6.27 0.00 -0.61 -1.06 105.19 114.46 1i78 n GLY 182 Ca -0.10 -1.19 -0.15 0.00 0.00 0.00 0.00 46.02 44.57 1i78 n GLY 182 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i78 s LEU 183 N 0.00 0.37 0.16 0.99 0.20 0.01 -1.22 118.68 119.18 1i78 s LEU 183 Ca 0.08 0.28 0.05 0.00 0.69 0.00 0.00 54.13 55.23 1i78 s LEU 183 Cb -0.02 0.27 -0.04 0.00 -0.43 0.00 0.00 46.19 45.96 1i78 s LEU 183 CO 0.06 -0.19 -0.11 0.28 -0.29 0.00 0.00 176.35 176.09 1i78 s THR 184 N 1.71 1.31 0.00 3.68 -1.32 -0.64 0.11 115.64 120.48 1i78 s THR 184 Ca -0.03 -2.09 0.00 0.00 -1.21 0.00 0.00 61.69 58.35 1i78 s THR 184 Cb -0.12 -1.89 0.00 0.00 -1.51 0.00 0.00 72.50 68.98 1i78 s THR 184 CO -0.05 -0.71 0.00 0.61 -2.21 0.00 0.00 174.62 172.26 1i78 n GLY 185 N -0.23 0.63 3.64 6.08 0.00 -0.22 -1.47 105.19 113.61 1i78 n GLY 185 Ca -0.10 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 1i78 n GLY 185 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i78 s SER 186 N 0.00 -0.43 0.06 1.61 1.04 -0.65 -0.48 113.70 114.85 1i78 s SER 186 Ca 0.00 0.83 0.05 0.00 0.48 0.00 0.00 55.95 57.31 1i78 s SER 186 Cb 0.00 0.86 -0.04 0.00 0.10 0.00 0.00 66.02 66.94 1i78 s SER 186 CO 0.00 -0.14 -0.08 -0.47 0.98 0.00 0.00 173.24 173.53 1i78 s TYR 187 N 0.29 2.81 -0.10 5.02 5.04 -0.26 -1.51 117.35 128.65 1i78 s TYR 187 Ca 0.03 -0.10 0.01 0.00 -2.44 0.00 0.00 57.07 54.56 1i78 s TYR 187 Cb -0.05 -1.51 0.02 0.00 0.35 0.00 0.00 41.96 40.77 1i78 s TYR 187 CO -0.07 0.40 -0.09 0.50 -1.34 0.00 0.00 175.55 174.95 1i78 s ARG 188 N -1.90 1.59 -0.23 4.97 3.52 0.47 -2.16 118.95 125.21 1i78 s ARG 188 Ca 0.20 -0.31 0.01 0.00 -0.13 0.00 0.00 55.73 55.49 1i78 s ARG 188 Cb -0.11 -1.52 0.03 0.00 -1.56 0.00 0.00 34.95 31.79 1i78 s ARG 188 CO 0.12 -0.17 -0.12 -0.47 -0.81 0.00 0.00 175.30 173.85 1i78 s TYR 189 N 1.34 3.03 0.00 5.12 5.04 -0.45 -4.78 117.35 126.65 1i78 s TYR 189 Ca -0.02 -1.81 0.00 0.00 -2.44 0.00 0.00 57.07 52.80 1i78 s TYR 189 Cb -0.14 -1.98 0.00 0.00 0.35 0.00 0.00 41.96 40.20 1i78 s TYR 189 CO -0.04 -0.80 0.00 0.39 -1.34 0.00 0.00 175.55 173.76 1i78 n GLU 190 N 4.58 0.00 -0.14 4.97 -0.58 -1.26 -1.51 120.64 126.70 1i78 n GLU 190 Ca -0.17 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.61 1i78 n GLU 190 Cb 0.47 0.00 0.12 0.00 -0.57 0.00 0.00 31.44 31.45 1i78 n GLU 190 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1i78 n ASP 191 N 9.91 2.70 -4.84 1.62 8.00 -1.26 -4.99 116.55 127.69 1i78 n ASP 191 Ca 0.00 -2.08 -0.36 0.00 0.71 0.00 0.00 54.79 53.06 1i78 n ASP 191 Cb 0.00 -0.19 -0.07 0.00 -0.02 0.00 0.00 41.12 40.85 1i78 n ASP 191 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1i78 s PHE 192 N -1.15 3.50 -0.02 1.24 5.36 -0.57 -0.70 117.98 125.64 1i78 s PHE 192 Ca 0.18 0.44 0.00 0.00 -0.96 0.00 0.00 56.93 56.59 1i78 s PHE 192 Cb 0.10 -1.89 0.02 0.00 -0.34 0.00 0.00 43.02 40.91 1i78 s PHE 192 CO 0.11 0.67 0.01 -2.00 -1.46 0.00 0.00 175.22 172.55 1i78 s GLU 193 N -1.11 0.13 -0.07 10.12 2.12 -0.04 -1.34 118.70 128.52 1i78 s GLU 193 Ca 0.16 0.09 0.05 0.00 0.36 0.00 0.00 54.97 55.63 1i78 s GLU 193 Cb -0.12 -0.32 -0.01 0.00 0.26 0.00 0.00 34.13 33.95 1i78 s GLU 193 CO 0.05 -0.11 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.92 1i78 s LEU 194 N 0.82 2.19 0.26 2.70 1.43 -0.92 -0.61 118.68 124.55 1i78 s LEU 194 Ca -0.08 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1i78 s LEU 194 Cb -0.11 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 1i78 s LEU 194 CO -0.02 0.22 0.23 -0.83 0.23 0.00 0.00 176.35 176.19 1i78 s GLY 195 N -0.03 1.70 0.15 -3.19 0.00 -0.52 -1.11 107.32 104.33 1i78 s GLY 195 Ca -0.07 -1.77 -0.21 0.00 0.00 0.00 0.00 44.72 42.68 1i78 s GLY 195 CO 0.05 -1.34 0.54 -0.32 0.00 0.00 0.00 173.10 172.03 1i78 s GLY 196 N -3.23 -0.52 -0.09 0.20 0.00 0.36 -1.39 107.32 102.64 1i78 s GLY 196 Ca 0.38 0.34 -0.07 0.00 0.00 0.00 0.00 44.72 45.37 1i78 s GLY 196 CO 0.18 0.03 0.24 -1.59 0.00 0.00 0.00 173.10 171.96 1i78 s THR 197 N -3.76 -0.02 -0.05 0.90 2.01 0.41 -1.06 115.64 114.07 1i78 s THR 197 Ca 0.02 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.11 1i78 s THR 197 Cb -0.00 -0.35 0.00 0.00 0.01 0.00 0.00 72.50 72.16 1i78 s THR 197 CO -0.13 0.02 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.32 1i78 s PHE 198 N 0.57 1.61 0.09 4.92 0.40 0.12 -0.87 117.98 124.82 1i78 s PHE 198 Ca -0.04 -0.52 0.07 0.00 -0.60 0.00 0.00 56.93 55.84 1i78 s PHE 198 Cb -0.05 -1.12 -0.03 0.00 0.51 0.00 0.00 43.02 42.33 1i78 s PHE 198 CO -0.03 -0.22 -0.18 0.15 0.70 0.00 0.00 175.22 175.64 1i78 s LYS 199 N 0.31 1.00 -0.01 0.44 1.02 -0.79 -0.81 119.74 120.90 1i78 s LYS 199 Ca -0.09 -1.07 -0.05 0.00 0.02 0.00 0.00 55.97 54.79 1i78 s LYS 199 Cb -0.13 -1.16 -0.00 0.00 -0.52 0.00 0.00 37.83 36.02 1i78 s LYS 199 CO 0.03 0.27 0.09 -0.47 -0.92 0.00 0.00 175.35 174.35 1i78 s TYR 200 N -1.20 0.04 -0.13 3.18 5.04 -0.22 -1.11 117.35 122.94 1i78 s TYR 200 Ca 0.03 -0.09 -0.17 0.00 -2.44 0.00 0.00 57.07 54.40 1i78 s TYR 200 Cb -0.10 -0.05 0.04 0.00 0.35 0.00 0.00 41.96 42.20 1i78 s TYR 200 CO 0.03 -0.20 0.46 0.45 -1.34 0.00 0.00 175.55 174.95 1i78 s SER 201 N -0.96 -0.45 -0.00 4.32 0.15 -0.44 -1.60 113.70 114.72 1i78 s SER 201 Ca -0.10 0.76 0.01 0.00 0.70 0.00 0.00 55.95 57.31 1i78 s SER 201 Cb -0.06 0.80 0.01 0.00 -1.71 0.00 0.00 66.02 65.05 1i78 s SER 201 CO 0.01 -0.26 0.85 0.61 1.20 0.00 0.00 173.24 175.65 1i78 n GLY 202 N 2.37 1.14 0.18 9.45 0.00 -1.26 -0.75 105.19 116.33 1i78 n GLY 202 Ca -0.15 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 45.93 1i78 n GLY 202 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1i78 n TRP 203 N -0.36 0.13 -2.14 1.61 8.01 -1.22 -3.80 117.44 119.68 1i78 n TRP 203 Ca 0.00 -0.96 -0.40 0.00 -1.31 0.00 0.00 57.50 54.83 1i78 n TRP 203 Cb 0.34 -0.17 -0.02 0.00 -2.01 0.00 0.00 31.31 29.46 1i78 n TRP 203 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 1i78 s VAL 204 N -2.79 2.78 -0.20 -0.99 1.01 -0.64 -4.54 120.40 115.03 1i78 s VAL 204 Ca 0.32 0.74 -0.00 0.00 0.00 0.00 0.00 61.98 63.04 1i78 s VAL 204 Cb 0.28 -3.45 0.05 0.00 0.00 0.00 0.00 36.38 33.26 1i78 s VAL 204 CO 0.04 0.14 -0.04 -0.70 0.00 0.00 0.00 175.10 174.54 1i78 s GLU 205 N -1.98 1.42 0.10 2.72 2.12 -0.87 -1.12 118.70 121.10 1i78 s GLU 205 Ca 0.52 -0.69 0.07 0.00 0.36 0.00 0.00 54.97 55.23 1i78 s GLU 205 Cb -0.38 -2.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.72 1i78 s GLU 205 CO 0.49 -0.52 -0.09 -1.54 -0.54 0.00 0.00 175.26 173.06 1i78 s SER 206 N 1.57 4.46 -0.00 -1.70 1.04 -0.88 -1.66 113.70 116.52 1i78 s SER 206 Ca -0.02 -0.37 -0.09 0.00 0.48 0.00 0.00 55.95 55.95 1i78 s SER 206 Cb -0.17 -0.87 0.01 0.00 0.10 0.00 0.00 66.02 65.09 1i78 s SER 206 CO -0.07 0.18 0.17 -0.94 0.98 0.00 0.00 173.24 173.56 1i78 s SER 207 N -2.23 -0.02 0.13 7.02 1.04 -0.42 -0.37 113.70 118.85 1i78 s SER 207 Ca 0.22 -0.14 -0.04 0.00 0.48 0.00 0.00 55.95 56.46 1i78 s SER 207 Cb -0.11 0.23 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 1i78 s SER 207 CO 0.14 -0.39 0.14 1.51 0.98 0.00 0.00 173.24 175.62 1i78 s ASP 208 N -1.37 0.22 -0.09 7.02 1.47 -0.69 -0.72 116.67 122.51 1i78 s ASP 208 Ca -0.14 -1.01 -0.02 0.00 1.18 0.00 0.00 52.55 52.56 1i78 s ASP 208 Cb -0.07 0.34 0.03 0.00 -0.34 0.00 0.00 42.92 42.88 1i78 s ASP 208 CO 0.02 -0.77 0.01 0.21 0.68 0.00 0.00 175.17 175.32 1i78 s ASN 209 N -2.99 1.81 -0.26 2.11 2.47 -0.23 -2.03 114.94 115.82 1i78 s ASN 209 Ca 0.18 -0.21 -0.05 0.00 0.42 0.00 0.00 52.86 53.20 1i78 s ASN 209 Cb 0.06 -0.46 0.00 0.00 -1.45 0.00 0.00 41.25 39.40 1i78 s ASN 209 CO -0.02 -0.21 0.02 -0.62 -3.72 0.00 0.00 177.10 172.55 1i78 s ASP 210 N 1.96 4.74 -0.28 -4.21 -1.08 -0.47 -1.39 116.67 115.92 1i78 s ASP 210 Ca 0.04 -0.59 -0.09 0.00 -0.52 0.00 0.00 52.55 51.39 1i78 s ASP 210 Cb -0.13 -1.80 -0.03 0.00 -1.46 0.00 0.00 42.92 39.50 1i78 s ASP 210 CO -0.06 -0.11 0.14 -1.61 0.52 0.00 0.00 175.17 174.05 1i78 s GLU 211 N 1.47 3.60 -0.52 4.34 0.41 0.10 -1.14 118.70 126.97 1i78 s GLU 211 Ca 0.03 -0.54 -0.16 0.00 -0.41 0.00 0.00 54.97 53.90 1i78 s GLU 211 Cb -0.16 -3.53 0.12 0.00 -1.78 0.00 0.00 34.13 28.78 1i78 s GLU 211 CO -0.00 -0.29 0.47 -1.01 -0.49 0.00 0.00 175.26 173.94 1i78 s HIS 212 N 1.66 3.25 -0.15 1.61 3.76 -0.36 -1.17 115.29 123.90 1i78 s HIS 212 Ca 0.06 -1.24 -0.22 0.00 -0.15 0.00 0.00 55.06 53.51 1i78 s HIS 212 Cb -0.16 -3.66 -0.03 0.00 1.11 0.00 0.00 32.58 29.84 1i78 s HIS 212 CO 0.07 -0.97 0.66 0.71 -0.85 0.00 0.00 174.74 174.35 1i78 s TYR 213 N 1.60 3.45 0.00 1.40 1.51 -0.92 -2.63 117.35 121.77 1i78 s TYR 213 Ca 0.03 1.06 0.00 0.00 -1.01 0.00 0.00 57.07 57.15 1i78 s TYR 213 Cb -0.29 -2.80 0.00 0.00 -0.11 0.00 0.00 41.96 38.76 1i78 s TYR 213 CO 0.04 -0.07 0.00 -3.47 -1.11 0.00 0.00 175.55 170.94 1i78 n ASP 214 N 4.55 0.00 0.00 2.29 2.03 -1.26 -3.26 116.55 120.90 1i78 n ASP 214 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1i78 n ASP 214 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 1i78 n ASP 214 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1i78 n PRO 215 N 0.00 0.00 -0.05 -0.67 -0.02 -1.26 -1.30 135.00 131.70 1i78 n PRO 215 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.42 1i78 n PRO 215 Cb 0.00 -1.44 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 1i78 n PRO 215 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1i78 n LYS 216 N -0.82 0.33 -3.22 -0.52 4.01 -1.26 -4.78 118.16 111.90 1i78 n LYS 216 Ca 0.00 0.13 -0.35 0.00 -0.51 0.00 0.00 58.31 57.59 1i78 n LYS 216 Cb 0.00 -1.07 -0.04 0.00 -0.51 0.00 0.00 35.03 33.41 1i78 n LYS 216 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1i78 n GLY 217 N 2.02 5.00 3.40 0.72 0.00 -0.76 -4.91 105.19 110.65 1i78 n GLY 217 Ca -0.09 -2.73 -0.45 0.00 0.00 0.00 0.00 46.02 42.75 1i78 n GLY 217 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i78 s ARG 218 N -2.64 3.81 0.26 1.61 6.06 -0.42 -4.30 118.95 123.33 1i78 s ARG 218 Ca 0.36 -2.41 0.09 0.00 -2.50 0.00 0.00 55.73 51.27 1i78 s ARG 218 Cb 0.10 -4.73 -0.04 0.00 0.06 0.00 0.00 34.95 30.34 1i78 s ARG 218 CO 0.05 -1.53 -0.01 0.42 -2.50 0.00 0.00 175.30 171.73 1i78 s ILE 219 N 0.96 3.46 -0.10 4.11 -1.09 -1.08 -2.25 121.20 125.21 1i78 s ILE 219 Ca 0.30 -1.88 -0.01 0.00 -2.23 0.00 0.00 60.65 56.83 1i78 s ILE 219 Cb -0.07 -2.84 0.03 0.00 -1.58 0.00 0.00 42.46 38.00 1i78 s ILE 219 CO -0.07 -0.35 -0.05 -0.89 -1.23 0.00 0.00 174.94 172.35 1i78 s THR 220 N -2.27 0.83 0.01 2.92 2.01 0.45 -1.23 115.64 118.36 1i78 s THR 220 Ca 0.31 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.14 1i78 s THR 220 Cb -0.07 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 1i78 s THR 220 CO 0.20 0.32 0.06 -0.31 -0.69 0.00 0.00 174.62 174.20 1i78 s TYR 221 N 1.79 3.20 -0.07 4.92 1.51 -0.29 -0.35 117.35 128.06 1i78 s TYR 221 Ca 0.05 0.15 -0.03 0.00 -1.01 0.00 0.00 57.07 56.23 1i78 s TYR 221 Cb -0.13 -1.70 0.04 0.00 -0.11 0.00 0.00 41.96 40.07 1i78 s TYR 221 CO -0.07 0.52 0.15 1.03 -1.11 0.00 0.00 175.55 176.06 1i78 s ARG 222 N -1.78 0.06 0.18 -0.62 1.81 -0.39 -1.37 118.95 116.84 1i78 s ARG 222 Ca 0.23 0.45 0.06 0.00 -1.72 0.00 0.00 55.73 54.74 1i78 s ARG 222 Cb -0.12 -0.23 -0.05 0.00 -0.45 0.00 0.00 34.95 34.10 1i78 s ARG 222 CO 0.14 -0.23 -0.10 -1.12 -0.68 0.00 0.00 175.30 173.31 1i78 s SER 223 N 1.67 2.11 -0.17 0.23 0.01 -0.86 0.11 113.70 116.80 1i78 s SER 223 Ca -0.04 -1.05 -0.10 0.00 1.31 0.00 0.00 55.95 56.07 1i78 s SER 223 Cb -0.12 -0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.11 1i78 s SER 223 CO -0.06 -0.31 0.42 -0.75 0.41 0.00 0.00 173.24 172.96 1i78 s LYS 224 N -3.73 0.41 0.04 12.44 2.20 -0.88 -1.71 119.74 128.52 1i78 s LYS 224 Ca 0.21 0.79 0.09 0.00 -0.36 0.00 0.00 55.97 56.70 1i78 s LYS 224 Cb 0.02 -0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.31 1i78 s LYS 224 CO 0.04 -0.15 -0.25 0.08 -0.36 0.00 0.00 175.35 174.71 1i78 s VAL 225 N 1.35 2.04 0.20 4.02 1.01 0.51 -2.31 120.40 127.21 1i78 s VAL 225 Ca -0.09 -1.35 0.08 0.00 0.00 0.00 0.00 61.98 60.62 1i78 s VAL 225 Cb -0.08 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 1i78 s VAL 225 CO -0.12 0.34 -0.16 -0.54 0.00 0.00 0.00 175.10 174.62 1i78 s LYS 226 N -1.22 1.32 -1.43 2.72 1.02 -1.26 -2.06 119.74 118.82 1i78 s LYS 226 Ca 0.11 -1.54 -0.08 0.00 0.02 0.00 0.00 55.97 54.48 1i78 s LYS 226 Cb -0.10 -1.20 0.05 0.00 -0.52 0.00 0.00 37.83 36.06 1i78 s LYS 226 CO 0.02 0.21 0.89 -0.25 -0.92 0.00 0.00 175.35 175.31 1i78 n ASP 227 N -0.20 -3.52 -4.85 2.83 10.43 -0.77 -4.96 116.55 115.51 1i78 n ASP 227 Ca -0.09 -0.78 -0.34 0.00 2.57 0.00 0.00 54.79 56.15 1i78 n ASP 227 Cb 0.59 -4.05 -0.06 0.00 1.84 0.00 0.00 41.12 39.45 1i78 n ASP 227 CO 0.00 0.00 0.00 -1.58 -1.07 0.00 0.00 177.20 174.55 1i78 s GLN 228 N -6.35 3.95 0.28 -1.24 0.74 -0.27 -4.73 119.66 112.04 1i78 s GLN 228 Ca 0.40 0.46 -0.18 0.00 0.05 0.00 0.00 55.36 56.09 1i78 s GLN 228 Cb -0.20 -2.84 -0.09 0.00 1.10 0.00 0.00 33.01 30.98 1i78 s GLN 228 CO 0.82 0.42 0.74 -0.80 -0.55 0.00 0.00 175.29 175.92 1i78 s ASN 229 N -1.89 6.92 0.00 6.67 0.02 -1.26 -1.62 114.94 123.78 1i78 s ASN 229 Ca 0.41 1.37 -0.00 0.00 -1.02 0.00 0.00 52.86 53.62 1i78 s ASN 229 Cb -0.14 -2.41 -0.00 0.00 0.02 0.00 0.00 41.25 38.73 1i78 s ASN 229 CO 0.20 -0.10 -0.00 -0.47 0.02 0.00 0.00 177.10 176.75 1i78 s TYR 230 N -1.77 0.01 0.04 2.20 5.04 0.08 -1.97 117.35 120.98 1i78 s TYR 230 Ca 0.49 -0.02 0.01 0.00 -2.44 0.00 0.00 57.07 55.12 1i78 s TYR 230 Cb -0.13 -0.01 -0.03 0.00 0.35 0.00 0.00 41.96 42.14 1i78 s TYR 230 CO 0.19 -0.01 -0.06 0.71 -1.34 0.00 0.00 175.55 175.04 1i78 s TYR 231 N -0.06 0.58 -0.12 4.97 1.51 -0.43 -1.32 117.35 122.48 1i78 s TYR 231 Ca -0.01 -0.58 -0.12 0.00 -1.01 0.00 0.00 57.07 55.35 1i78 s TYR 231 Cb -0.00 -0.36 0.03 0.00 -0.11 0.00 0.00 41.96 41.52 1i78 s TYR 231 CO -0.00 -0.14 0.35 0.45 -1.11 0.00 0.00 175.55 175.10 1i78 s SER 232 N -1.78 -0.35 -0.05 2.29 0.15 -0.27 -1.15 113.70 112.55 1i78 s SER 232 Ca -0.08 0.64 -0.01 0.00 0.70 0.00 0.00 55.95 57.20 1i78 s SER 232 Cb -0.07 0.67 0.03 0.00 -1.71 0.00 0.00 66.02 64.94 1i78 s SER 232 CO -0.01 -0.15 0.02 -0.69 1.20 0.00 0.00 173.24 173.60 1i78 s VAL 233 N 0.03 0.19 0.01 4.45 1.01 -0.45 -1.88 120.40 123.75 1i78 s VAL 233 Ca -0.01 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1i78 s VAL 233 Cb -0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 1i78 s VAL 233 CO 0.01 0.20 -0.05 0.00 0.00 0.00 0.00 175.10 175.26 1i78 s ALA 234 N 1.69 0.43 0.02 5.51 0.00 -0.05 -0.86 121.76 128.51 1i78 s ALA 234 Ca -0.00 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.60 1i78 s ALA 234 Cb -0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1i78 s ALA 234 CO -0.03 0.05 -0.04 0.14 0.00 0.00 0.00 175.76 175.88 1i78 s VAL 235 N -0.50 0.27 0.07 0.00 -7.23 -0.63 -0.45 120.40 111.94 1i78 s VAL 235 Ca -0.02 -0.72 -0.00 0.00 -1.81 0.00 0.00 61.98 59.43 1i78 s VAL 235 Cb -0.04 -0.34 -0.04 0.00 0.56 0.00 0.00 36.38 36.52 1i78 s VAL 235 CO -0.00 -0.30 -0.03 0.54 -0.31 0.00 0.00 175.10 175.00 1i78 s ASN 236 N -1.08 0.69 -0.06 4.85 2.20 -0.49 -1.40 114.94 119.65 1i78 s ASN 236 Ca -0.09 -1.03 -0.02 0.00 -0.94 0.00 0.00 52.86 50.78 1i78 s ASN 236 Cb -0.07 0.18 0.03 0.00 -2.00 0.00 0.00 41.25 39.39 1i78 s ASN 236 CO -0.00 -0.57 0.12 0.00 -2.94 0.00 0.00 177.10 173.71 1i78 s ALA 237 N -3.84 -0.21 0.27 3.54 0.00 -0.52 -1.43 121.76 119.57 1i78 s ALA 237 Ca 0.10 0.58 -0.12 0.00 0.00 0.00 0.00 51.96 52.53 1i78 s ALA 237 Cb 0.07 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1i78 s ALA 237 CO -0.07 -0.14 0.50 0.20 0.00 0.00 0.00 175.76 176.25 1i78 s GLY 238 N 1.02 0.66 -0.03 0.00 0.00 0.22 -0.89 107.32 108.31 1i78 s GLY 238 Ca -0.08 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.70 1i78 s GLY 238 CO -0.05 -0.66 -0.07 -0.47 0.00 0.00 0.00 173.10 171.85 1i78 s TYR 239 N -3.76 0.81 -0.82 1.90 5.04 0.82 -0.86 117.35 120.49 1i78 s TYR 239 Ca 0.23 -0.20 -0.24 0.00 -2.44 0.00 0.00 57.07 54.42 1i78 s TYR 239 Cb -0.01 -0.60 0.05 0.00 0.35 0.00 0.00 41.96 41.75 1i78 s TYR 239 CO 0.11 -0.10 1.26 0.71 -1.34 0.00 0.00 175.55 176.18 1i78 s TYR 240 N 0.29 2.49 0.20 4.97 1.51 0.12 -0.98 117.35 125.95 1i78 s TYR 240 Ca -0.04 -0.46 -0.08 0.00 -1.01 0.00 0.00 57.07 55.48 1i78 s TYR 240 Cb -0.09 -4.56 0.12 0.00 -0.11 0.00 0.00 41.96 37.32 1i78 s TYR 240 CO 0.00 -1.92 1.67 0.28 -1.11 0.00 0.00 175.55 174.47 1i78 h VAL 241 N 6.21 1.26 -2.50 0.71 2.07 -1.57 -3.45 116.25 118.99 1i78 h VAL 241 Ca -0.12 -1.12 -0.52 0.00 0.82 0.00 0.00 66.70 65.76 1i78 h VAL 241 Cb 1.04 0.79 -0.14 0.00 -1.52 0.00 0.00 31.29 31.46 1i78 h VAL 241 CO 1.29 0.41 -0.58 0.42 0.02 0.00 0.00 177.57 179.13 1i78 s THR 242 N -5.04 1.14 0.43 2.57 -4.23 -1.18 -5.00 115.64 104.34 1i78 s THR 242 Ca -0.11 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.54 1i78 s THR 242 Cb 0.14 -2.68 0.33 0.00 1.34 0.00 0.00 72.50 71.63 1i78 s THR 242 CO 0.85 0.00 1.97 -0.65 -0.54 0.00 0.00 174.62 176.25 1i78 h PRO 243 N 1.96 0.40 -0.79 3.99 0.11 -2.02 -3.07 132.00 132.58 1i78 h PRO 243 Ca -0.40 -0.02 -0.49 0.00 0.11 0.00 0.00 66.00 65.20 1i78 h PRO 243 Cb 1.26 -0.09 -0.42 0.00 0.11 0.00 0.00 31.00 31.85 1i78 h PRO 243 CO 0.68 0.27 -0.88 0.27 -0.21 0.00 0.00 178.00 178.13 1i78 n ASN 244 N -4.47 4.12 -3.43 -2.05 0.23 -1.26 -4.95 115.26 103.45 1i78 n ASN 244 Ca 0.10 -3.37 -0.17 0.00 -0.53 0.00 0.00 54.58 50.61 1i78 n ASN 244 Cb 0.39 -0.39 -0.11 0.00 -2.08 0.00 0.00 39.78 37.60 1i78 n ASN 244 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1i78 s ALA 245 N -3.62 -0.45 -0.24 -2.53 0.00 -1.16 -2.25 121.76 111.51 1i78 s ALA 245 Ca 0.45 -0.01 -0.08 0.00 0.00 0.00 0.00 51.96 52.32 1i78 s ALA 245 Cb 0.39 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1i78 s ALA 245 CO -0.00 -1.50 0.09 0.21 0.00 0.00 0.00 175.76 174.56 1i78 s LYS 246 N 2.36 3.78 -0.07 0.00 2.20 -0.53 -1.41 119.74 126.08 1i78 s LYS 246 Ca 0.09 -0.42 -0.18 0.00 -0.36 0.00 0.00 55.97 55.11 1i78 s LYS 246 Cb -0.15 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 1i78 s LYS 246 CO -0.24 -0.09 0.47 0.54 -0.36 0.00 0.00 175.35 175.67 1i78 s VAL 247 N 1.39 5.09 0.15 4.02 0.11 -0.15 -1.26 120.40 129.76 1i78 s VAL 247 Ca 0.06 0.96 -0.08 0.00 -2.93 0.00 0.00 61.98 59.99 1i78 s VAL 247 Cb -0.15 -3.80 -0.01 0.00 -1.53 0.00 0.00 36.38 30.89 1i78 s VAL 247 CO 0.05 0.41 0.24 -0.72 -3.33 0.00 0.00 175.10 171.75 1i78 s TYR 248 N 0.00 0.43 0.00 1.54 -0.85 -0.10 -0.12 117.35 118.25 1i78 s TYR 248 Ca 0.26 -0.81 0.03 0.00 -0.52 0.00 0.00 57.07 56.03 1i78 s TYR 248 Cb -0.16 -0.12 -0.01 0.00 0.38 0.00 0.00 41.96 42.05 1i78 s TYR 248 CO 0.12 -0.67 -0.11 0.54 -1.52 0.00 0.00 175.55 173.92 1i78 s VAL 249 N -3.97 0.87 0.02 -3.49 0.11 -0.07 -0.96 120.40 112.92 1i78 s VAL 249 Ca 0.16 -0.56 -0.07 0.00 -2.93 0.00 0.00 61.98 58.58 1i78 s VAL 249 Cb 0.04 -0.75 -0.00 0.00 -1.53 0.00 0.00 36.38 34.14 1i78 s VAL 249 CO -0.01 0.18 0.13 -0.70 -3.33 0.00 0.00 175.10 171.36 1i78 s GLU 250 N -0.44 0.55 -0.06 1.54 2.12 0.17 -1.44 118.70 121.14 1i78 s GLU 250 Ca 0.03 -0.56 0.01 0.00 0.36 0.00 0.00 54.97 54.81 1i78 s GLU 250 Cb -0.05 0.22 0.02 0.00 0.26 0.00 0.00 34.13 34.58 1i78 s GLU 250 CO -0.00 -0.14 -0.07 0.20 -0.54 0.00 0.00 175.26 174.71 1i78 s GLY 251 N -1.75 0.61 -0.02 -1.50 0.00 -0.50 -0.90 107.32 103.26 1i78 s GLY 251 Ca -0.10 -0.24 0.04 0.00 0.00 0.00 0.00 44.72 44.41 1i78 s GLY 251 CO -0.01 0.48 -0.13 0.00 0.00 0.00 0.00 173.10 173.44 1i78 s ALA 252 N 1.09 1.08 0.08 3.20 0.00 0.58 -1.60 121.76 126.18 1i78 s ALA 252 Ca -0.08 -0.53 0.09 0.00 0.00 0.00 0.00 51.96 51.44 1i78 s ALA 252 Cb -0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 1i78 s ALA 252 CO -0.01 0.24 -0.23 -0.46 0.00 0.00 0.00 175.76 175.30 1i78 s TRP 253 N -0.18 2.01 -0.15 0.00 -0.00 -0.03 0.05 118.94 120.64 1i78 s TRP 253 Ca 0.03 -0.40 -0.24 0.00 -0.00 0.00 0.00 56.10 55.49 1i78 s TRP 253 Cb -0.06 -1.15 0.06 0.00 -0.00 0.00 0.00 33.47 32.32 1i78 s TRP 253 CO -0.00 0.19 0.62 0.54 -0.00 0.00 0.00 176.95 178.30 1i78 s ASN 254 N -1.61 -0.62 0.01 5.86 2.20 -0.50 -1.35 114.94 118.94 1i78 s ASN 254 Ca 0.09 0.97 0.01 0.00 -0.94 0.00 0.00 52.86 52.99 1i78 s ASN 254 Cb -0.10 0.94 -0.01 0.00 -2.00 0.00 0.00 41.25 40.08 1i78 s ASN 254 CO 0.04 -0.38 -0.04 -0.60 -2.94 0.00 0.00 177.10 173.18 1i78 s ARG 255 N -0.35 0.30 -0.28 3.55 3.52 -0.30 -0.90 118.95 124.49 1i78 s ARG 255 Ca -0.05 -0.37 0.01 0.00 -0.13 0.00 0.00 55.73 55.19 1i78 s ARG 255 Cb -0.03 -0.13 0.06 0.00 -1.56 0.00 0.00 34.95 33.29 1i78 s ARG 255 CO 0.04 0.02 -0.06 0.08 -0.81 0.00 0.00 175.30 174.57 1i78 s VAL 256 N -0.73 2.46 0.41 7.11 1.01 -0.57 -1.31 120.40 128.78 1i78 s VAL 256 Ca -0.06 -1.59 -0.26 0.00 0.00 0.00 0.00 61.98 60.07 1i78 s VAL 256 Cb -0.05 -2.45 -0.08 0.00 0.00 0.00 0.00 36.38 33.79 1i78 s VAL 256 CO -0.00 -0.09 1.28 -0.89 0.00 0.00 0.00 175.10 175.40 1i78 s THR 257 N 1.14 2.68 0.43 3.92 2.01 -0.83 -2.21 115.64 122.79 1i78 s THR 257 Ca -0.07 0.60 -0.25 0.00 0.31 0.00 0.00 61.69 62.28 1i78 s THR 257 Cb -0.20 -3.35 -0.08 0.00 0.01 0.00 0.00 72.50 68.88 1i78 s THR 257 CO -0.04 0.08 1.24 0.21 -0.69 0.00 0.00 174.62 175.42 1i78 s ASN 258 N -0.81 6.24 0.09 3.53 2.47 -1.26 -4.51 114.94 120.69 1i78 s ASN 258 Ca 0.58 2.49 -0.21 0.00 0.42 0.00 0.00 52.86 56.14 1i78 s ASN 258 Cb -0.37 -2.62 0.05 0.00 -1.45 0.00 0.00 41.25 36.86 1i78 s ASN 258 CO 0.47 -0.88 0.51 -0.75 -3.72 0.00 0.00 177.10 172.73 1i78 s LYS 259 N -2.42 1.10 0.22 0.43 2.20 -1.25 -4.99 119.74 115.03 1i78 s LYS 259 Ca 0.60 -0.40 -0.09 0.00 -0.36 0.00 0.00 55.97 55.72 1i78 s LYS 259 Cb -0.34 0.50 -0.07 0.00 -1.51 0.00 0.00 37.83 36.41 1i78 s LYS 259 CO 0.43 -0.43 0.52 0.15 -0.36 0.00 0.00 175.35 175.66 1i78 s LYS 260 N -3.07 3.77 0.28 4.03 1.02 -1.26 -3.17 119.74 121.34 1i78 s LYS 260 Ca -0.02 0.22 -0.02 0.00 0.02 0.00 0.00 55.97 56.17 1i78 s LYS 260 Cb -0.00 -2.67 0.01 0.00 -0.52 0.00 0.00 37.83 34.64 1i78 s LYS 260 CO -0.07 0.33 0.41 0.41 -0.92 0.00 0.00 175.35 175.51 1i78 n GLY 261 N -0.13 2.24 3.89 -3.33 0.00 0.41 -4.63 105.19 103.65 1i78 n GLY 261 Ca 0.00 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 1i78 n GLY 261 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i78 s ASN 262 N -2.74 6.47 0.08 1.61 0.01 -0.98 -1.43 114.94 117.96 1i78 s ASN 262 Ca 0.23 0.90 0.03 0.00 -0.71 0.00 0.00 52.86 53.31 1i78 s ASN 262 Cb -0.01 -2.22 -0.03 0.00 0.41 0.00 0.00 41.25 39.39 1i78 s ASN 262 CO 0.16 -0.30 -0.09 0.28 -1.51 0.00 0.00 177.10 175.65 1i78 s THR 263 N -2.24 0.75 -0.05 1.60 -1.32 -1.05 -2.06 115.64 111.27 1i78 s THR 263 Ca 0.47 -1.51 0.01 0.00 -1.21 0.00 0.00 61.69 59.45 1i78 s THR 263 Cb -0.10 -1.18 0.02 0.00 -1.51 0.00 0.00 72.50 69.73 1i78 s THR 263 CO 0.31 -0.56 -0.06 -0.44 -2.21 0.00 0.00 174.62 171.66 1i78 s SER 264 N -2.28 1.17 -0.08 8.08 0.01 0.12 -2.15 113.70 118.58 1i78 s SER 264 Ca 0.02 -0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.09 1i78 s SER 264 Cb -0.04 -0.54 -0.03 0.00 0.21 0.00 0.00 66.02 65.62 1i78 s SER 264 CO -0.01 -0.04 0.00 -0.22 0.41 0.00 0.00 173.24 173.38 1i78 s LEU 265 N 0.92 3.58 -0.22 2.44 0.20 0.71 -1.26 118.68 125.05 1i78 s LEU 265 Ca -0.11 0.13 -0.02 0.00 0.69 0.00 0.00 54.13 54.83 1i78 s LEU 265 Cb -0.15 -1.84 0.06 0.00 -0.43 0.00 0.00 46.19 43.84 1i78 s LEU 265 CO 0.00 0.37 0.02 -0.72 -0.29 0.00 0.00 176.35 175.73 1i78 s TYR 266 N -0.90 1.50 -0.51 5.38 -0.85 0.53 -1.01 117.35 121.49 1i78 s TYR 266 Ca 0.14 -1.21 -0.20 0.00 -0.52 0.00 0.00 57.07 55.27 1i78 s TYR 266 Cb -0.11 -1.26 0.05 0.00 0.38 0.00 0.00 41.96 41.02 1i78 s TYR 266 CO 0.03 -0.69 0.69 0.34 -1.52 0.00 0.00 175.55 174.40 1i78 s ASP 267 N 1.70 6.25 0.24 -0.18 -1.08 0.91 -0.41 116.67 124.10 1i78 s ASP 267 Ca -0.01 -0.77 -0.04 0.00 -0.52 0.00 0.00 52.55 51.21 1i78 s ASP 267 Cb -0.18 -2.32 0.28 0.00 -1.46 0.00 0.00 42.92 39.24 1i78 s ASP 267 CO -0.09 -0.95 1.74 0.45 0.52 0.00 0.00 175.17 176.84 1i78 h HIS 268 N 9.05 0.93 0.67 -5.34 3.86 -1.74 0.37 115.15 122.95 1i78 h HIS 268 Ca -0.27 -0.13 -0.03 0.00 -1.16 0.00 0.00 60.37 58.78 1i78 h HIS 268 Cb 1.09 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.31 1i78 h HIS 268 CO 0.78 0.83 -0.38 -0.91 0.86 0.00 0.00 177.93 179.11 1i78 h ASN 269 N 0.82 -0.95 0.07 2.45 4.21 -1.91 -3.06 115.58 117.20 1i78 h ASN 269 Ca 0.16 0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.72 1i78 h ASN 269 Cb 0.45 0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.92 1i78 h ASN 269 CO 0.02 -0.61 -0.03 0.59 -1.29 0.00 0.00 177.43 176.11 1i78 n ASN 270 N -4.83 0.80 -3.95 5.81 5.03 -1.23 -4.91 115.26 111.97 1i78 n ASN 270 Ca -0.12 -1.14 -0.30 0.00 0.87 0.00 0.00 54.58 53.88 1i78 n ASN 270 Cb 0.40 -0.01 0.02 0.00 -1.02 0.00 0.00 39.78 39.17 1i78 n ASN 270 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1i78 n ASN 271 N -0.45 -4.02 -4.43 6.41 4.05 0.12 -4.96 115.26 111.98 1i78 n ASN 271 Ca 0.20 -0.83 -0.32 0.00 0.45 0.00 0.00 54.58 54.07 1i78 n ASN 271 Cb 0.26 -3.66 -0.14 0.00 1.23 0.00 0.00 39.78 37.47 1i78 n ASN 271 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1i78 s THR 272 N -3.36 2.88 0.14 -0.44 -1.32 -0.78 -4.94 115.64 107.82 1i78 s THR 272 Ca 0.59 -0.78 0.11 0.00 -1.21 0.00 0.00 61.69 60.40 1i78 s THR 272 Cb -0.30 -2.12 -0.04 0.00 -1.51 0.00 0.00 72.50 68.53 1i78 s THR 272 CO 0.85 0.58 -0.25 -0.94 -2.21 0.00 0.00 174.62 172.65 1i78 s SER 273 N -0.55 3.45 -0.07 8.08 1.04 -1.26 -0.06 113.70 124.32 1i78 s SER 273 Ca 0.08 -0.75 -0.03 0.00 0.48 0.00 0.00 55.95 55.73 1i78 s SER 273 Cb -0.11 -0.29 0.04 0.00 0.10 0.00 0.00 66.02 65.76 1i78 s SER 273 CO 0.01 0.16 0.16 -0.62 0.98 0.00 0.00 173.24 173.94 1i78 s ASP 274 N -2.23 -0.07 -0.09 7.02 2.15 -0.18 -4.96 116.67 118.31 1i78 s ASP 274 Ca 0.16 0.34 -0.02 0.00 0.43 0.00 0.00 52.55 53.46 1i78 s ASP 274 Cb -0.10 0.23 -0.03 0.00 -0.30 0.00 0.00 42.92 42.72 1i78 s ASP 274 CO 0.08 -0.16 0.02 -0.47 -0.17 0.00 0.00 175.17 174.47 1i78 s TYR 275 N 1.28 3.23 -0.19 -5.34 5.04 -1.26 -0.21 117.35 119.90 1i78 s TYR 275 Ca -0.08 0.24 -0.04 0.00 -2.44 0.00 0.00 57.07 54.75 1i78 s TYR 275 Cb -0.11 -1.81 0.08 0.00 0.35 0.00 0.00 41.96 40.47 1i78 s TYR 275 CO -0.06 0.51 0.20 -1.54 -1.34 0.00 0.00 175.55 173.32 1i78 s SER 276 N -0.95 1.43 0.17 4.32 1.04 -0.91 -5.04 113.70 113.75 1i78 s SER 276 Ca 0.14 -0.20 -0.31 0.00 0.48 0.00 0.00 55.95 56.05 1i78 s SER 276 Cb -0.11 0.29 -0.10 0.00 0.10 0.00 0.00 66.02 66.20 1i78 s SER 276 CO 0.03 -0.32 1.53 -0.75 0.98 0.00 0.00 173.24 174.71 1i78 s LYS 277 N 2.30 4.24 -1.80 4.02 2.20 -1.26 -1.99 119.74 127.44 1i78 s LYS 277 Ca 0.06 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 1i78 s LYS 277 Cb -0.15 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1i78 s LYS 277 CO -0.11 -0.56 0.00 0.09 -0.36 0.00 0.00 175.35 174.41 1i78 n ASN 278 N 3.70 -5.86 -0.13 1.43 3.02 -1.10 -4.80 115.26 111.53 1i78 n ASN 278 Ca 0.12 0.01 0.13 0.00 -0.03 0.00 0.00 54.58 54.82 1i78 n ASN 278 Cb 0.39 -4.89 0.37 0.00 -0.61 0.00 0.00 39.78 35.05 1i78 n ASN 278 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i78 n GLY 279 N -0.98 -0.92 3.38 7.41 0.00 -0.84 -4.66 105.19 108.58 1i78 n GLY 279 Ca -0.24 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 1i78 n GLY 279 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i78 s ALA 280 N -2.70 2.12 -0.04 4.61 0.00 -0.52 0.05 121.76 125.29 1i78 s ALA 280 Ca 0.20 -1.81 -0.12 0.00 0.00 0.00 0.00 51.96 50.23 1i78 s ALA 280 Cb 0.19 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.54 1i78 s ALA 280 CO 0.58 -0.10 0.26 0.20 0.00 0.00 0.00 175.76 176.71 1i78 s GLY 281 N -3.38 -0.12 -0.05 0.00 0.00 -0.40 -0.44 107.32 102.92 1i78 s GLY 281 Ca 0.27 0.36 -0.03 0.00 0.00 0.00 0.00 44.72 45.32 1i78 s GLY 281 CO 0.10 0.19 0.13 -0.42 0.00 0.00 0.00 173.10 173.09 1i78 s ILE 282 N -0.92 -0.02 0.15 0.90 1.01 -1.19 -1.96 121.20 119.17 1i78 s ILE 282 Ca -0.10 0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.43 1i78 s ILE 282 Cb -0.05 -0.20 0.05 0.00 0.01 0.00 0.00 42.46 42.28 1i78 s ILE 282 CO 0.03 0.03 0.52 -1.83 0.00 0.00 0.00 174.94 173.68 1i78 s GLU 283 N 0.52 1.22 0.19 2.79 -1.05 -1.13 -3.79 118.70 117.44 1i78 s GLU 283 Ca -0.04 -0.61 -0.15 0.00 -0.15 0.00 0.00 54.97 54.03 1i78 s GLU 283 Cb -0.05 0.54 0.05 0.00 -0.44 0.00 0.00 34.13 34.23 1i78 s GLU 283 CO -0.02 -0.51 0.74 0.27 0.95 0.00 0.00 175.26 176.69 1i78 n ASN 284 N -0.32 -1.46 -3.55 0.83 6.94 -0.94 -1.17 115.26 115.60 1i78 n ASN 284 Ca -0.16 -1.85 -0.10 0.00 -0.02 0.00 0.00 54.58 52.45 1i78 n ASN 284 Cb 0.64 2.39 -0.04 0.00 -2.36 0.00 0.00 39.78 40.42 1i78 n ASN 284 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1i78 s TYR 285 N -3.22 -0.37 0.05 -2.53 -0.85 -0.64 -1.51 117.35 108.28 1i78 s TYR 285 Ca 0.16 0.49 -0.08 0.00 -0.52 0.00 0.00 57.07 57.13 1i78 s TYR 285 Cb -0.03 0.48 -0.00 0.00 0.38 0.00 0.00 41.96 42.79 1i78 s TYR 285 CO 0.06 -0.43 0.16 -0.80 -1.52 0.00 0.00 175.55 173.02 1i78 s ASN 286 N -1.65 0.11 -0.09 -0.18 0.01 -0.08 -1.90 114.94 111.17 1i78 s ASN 286 Ca 0.00 -0.51 0.02 0.00 -0.71 0.00 0.00 52.86 51.67 1i78 s ASN 286 Cb -0.01 0.28 0.01 0.00 0.41 0.00 0.00 41.25 41.95 1i78 s ASN 286 CO -0.02 -0.59 -0.16 -0.36 -1.51 0.00 0.00 177.10 174.46 1i78 s PHE 287 N -2.96 1.86 -0.12 2.20 2.99 0.89 -1.42 117.98 121.43 1i78 s PHE 287 Ca -0.02 -0.77 0.01 0.00 0.00 0.00 0.00 56.93 56.15 1i78 s PHE 287 Cb 0.01 -1.32 0.02 0.00 0.00 0.00 0.00 43.02 41.72 1i78 s PHE 287 CO -0.06 -0.37 -0.13 0.42 -0.00 0.00 0.00 175.22 175.07 1i78 s ILE 288 N 0.69 1.44 -0.14 0.64 1.01 0.11 -0.55 121.20 124.39 1i78 s ILE 288 Ca -0.13 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1i78 s ILE 288 Cb -0.16 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 1i78 s ILE 288 CO 0.03 0.43 -0.15 -0.89 0.00 0.00 0.00 174.94 174.36 1i78 s THR 289 N 1.30 2.72 0.09 2.92 2.01 -0.41 -0.31 115.64 123.97 1i78 s THR 289 Ca -0.00 -0.76 -0.08 0.00 0.31 0.00 0.00 61.69 61.16 1i78 s THR 289 Cb -0.14 -2.14 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 1i78 s THR 289 CO -0.06 0.52 0.17 0.28 -0.69 0.00 0.00 174.62 174.84 1i78 s THR 290 N 0.64 0.15 -0.07 -0.82 -1.32 -0.08 -0.86 115.64 113.29 1i78 s THR 290 Ca -0.08 -1.26 -0.07 0.00 -1.21 0.00 0.00 61.69 59.07 1i78 s THR 290 Cb -0.16 -1.39 0.02 0.00 -1.51 0.00 0.00 72.50 69.46 1i78 s THR 290 CO 0.02 -0.66 0.20 0.00 -2.21 0.00 0.00 174.62 171.97 1i78 s ALA 291 N -3.87 -0.49 0.00 11.08 0.00 -0.45 0.42 121.76 128.45 1i78 s ALA 291 Ca 0.06 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1i78 s ALA 291 Cb 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1i78 s ALA 291 CO -0.10 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1i78 n GLY 292 N 2.76 1.19 3.07 0.00 0.00 -0.13 -1.06 105.19 111.01 1i78 n GLY 292 Ca -0.14 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 1i78 n GLY 292 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i78 s LEU 293 N 0.00 1.91 -0.32 0.99 2.96 -0.47 -0.93 118.68 122.82 1i78 s LEU 293 Ca 0.00 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.65 1i78 s LEU 293 Cb 0.00 -0.69 0.06 0.00 0.50 0.00 0.00 46.19 46.06 1i78 s LEU 293 CO 0.00 0.12 0.03 -0.75 -1.32 0.00 0.00 176.35 174.43 1i78 s LYS 294 N -0.04 2.37 -0.28 1.98 2.20 -0.39 -2.09 119.74 123.49 1i78 s LYS 294 Ca 0.00 -1.34 -0.10 0.00 -0.36 0.00 0.00 55.97 54.17 1i78 s LYS 294 Cb -0.08 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 1i78 s LYS 294 CO 0.00 -0.68 0.16 -0.47 -0.36 0.00 0.00 175.35 174.01 1i78 s TYR 295 N 1.24 3.19 -0.56 4.03 6.14 -0.06 -1.46 117.35 129.88 1i78 s TYR 295 Ca -0.03 -0.05 -0.16 0.00 0.64 0.00 0.00 57.07 57.47 1i78 s TYR 295 Cb -0.20 -2.35 0.13 0.00 0.42 0.00 0.00 41.96 39.96 1i78 s TYR 295 CO -0.01 -0.23 0.52 0.99 0.64 0.00 0.00 175.55 177.45 1i78 s THR 296 N 1.72 5.23 -1.31 4.34 2.01 -0.96 -0.75 115.64 125.93 1i78 s THR 296 Ca 0.07 -1.55 0.00 0.00 0.31 0.00 0.00 61.69 60.51 1i78 s THR 296 Cb -0.16 -4.35 0.00 0.00 0.01 0.00 0.00 72.50 68.00 1i78 s THR 296 CO 0.09 -0.88 0.33 0.49 -0.69 0.00 0.00 174.62 173.96