#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i78 s VAL 17 N 0.00 3.75 -1.17 2.52 1.01 0.14 -3.42 120.40 123.24 3i78 s VAL 17 Ca 0.00 0.96 -0.03 0.00 0.00 0.00 0.00 61.98 62.91 3i78 s VAL 17 Cb 0.00 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 3i78 s VAL 17 CO 0.00 -0.07 0.91 0.61 0.00 0.00 0.00 175.10 176.55 3i78 n GLY 18 N 3.93 -0.64 3.77 4.51 0.00 -1.22 -2.26 105.19 113.27 3i78 n GLY 18 Ca 0.16 0.28 -0.24 0.00 0.00 0.00 0.00 46.02 46.22 3i78 n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i78 s GLY 19 N -4.00 2.28 0.57 -0.02 0.00 -1.22 -4.75 107.32 100.18 3i78 s GLY 19 Ca 0.17 -2.05 0.06 0.00 0.00 0.00 0.00 44.72 42.91 3i78 s GLY 19 CO 0.76 -1.86 0.52 -0.51 0.00 0.00 0.00 173.10 172.01 3i78 s THR 20 N -2.56 1.67 -0.07 0.90 -4.23 -0.68 -4.88 115.64 105.78 3i78 s THR 20 Ca 0.42 -1.37 -0.27 0.00 -1.18 0.00 0.00 61.69 59.30 3i78 s THR 20 Cb 0.02 -2.03 -0.03 0.00 1.34 0.00 0.00 72.50 71.80 3i78 s THR 20 CO 0.24 0.00 0.85 -0.13 -0.54 0.00 0.00 174.62 175.04 3i78 s ARG 21 N -4.41 4.45 0.26 3.99 1.81 -1.26 -0.33 118.95 123.45 3i78 s ARG 21 Ca 0.40 1.15 -0.31 0.00 -1.72 0.00 0.00 55.73 55.25 3i78 s ARG 21 Cb -0.03 -3.49 -0.12 0.00 -0.45 0.00 0.00 34.95 30.87 3i78 s ARG 21 CO 0.25 -0.09 1.64 0.00 -0.68 0.00 0.00 175.30 176.42 3i78 s ALA 22 N 1.26 3.82 0.42 2.13 0.00 -0.47 -4.77 121.76 124.16 3i78 s ALA 22 Ca 0.44 1.57 -0.24 0.00 0.00 0.00 0.00 51.96 53.73 3i78 s ALA 22 Cb -0.19 -3.67 -0.08 0.00 0.00 0.00 0.00 23.12 19.19 3i78 s ALA 22 CO 0.20 -0.95 1.14 0.00 0.00 0.00 0.00 175.76 176.15 3i78 s ALA 23 N 0.49 3.06 0.05 0.00 0.00 -1.26 -4.88 121.76 119.21 3i78 s ALA 23 Ca 0.68 0.89 -0.34 0.00 0.00 0.00 0.00 51.96 53.19 3i78 s ALA 23 Cb -0.48 -3.36 -0.13 0.00 0.00 0.00 0.00 23.12 19.15 3i78 s ALA 23 CO 0.41 -0.51 1.68 0.94 0.00 0.00 0.00 175.76 178.28 3i78 n GLN 24 N -0.19 2.05 -0.38 0.00 -0.06 -1.26 -1.78 117.38 115.76 3i78 n GLN 24 Ca 0.06 0.74 0.00 0.00 -2.00 0.00 0.00 57.00 55.80 3i78 n GLN 24 Cb 0.48 -2.53 0.00 0.00 -4.06 0.00 0.00 30.24 24.13 3i78 n GLN 24 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3i78 n GLY 25 N 3.74 1.60 0.00 1.69 0.00 -1.26 -4.95 105.19 106.01 3i78 n GLY 25 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3i78 n GLY 25 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i78 n GLU 26 N -2.00 0.00 -3.44 1.61 2.13 -0.73 -3.81 120.64 114.39 3i78 n GLU 26 Ca 0.00 0.49 -0.43 0.00 0.66 0.00 0.00 57.16 57.88 3i78 n GLU 26 Cb 0.00 -1.49 -0.04 0.00 0.27 0.00 0.00 31.44 30.18 3i78 n GLU 26 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 3i78 s PHE 27 N -2.97 3.81 -2.16 4.31 0.08 -1.26 -4.90 117.98 114.89 3i78 s PHE 27 Ca 0.00 -2.40 0.17 0.00 0.12 0.00 0.00 56.93 54.82 3i78 s PHE 27 Cb 0.00 -3.64 0.57 0.00 -0.57 0.00 0.00 43.02 39.38 3i78 s PHE 27 CO 0.00 -0.92 1.43 -0.35 -0.10 0.00 0.00 175.22 175.28 3i78 n PRO 28 N 3.43 1.79 0.00 0.24 -0.04 -1.25 -2.73 135.00 136.44 3i78 n PRO 28 Ca 0.16 -1.21 0.14 0.00 -0.04 0.00 0.00 63.50 62.55 3i78 n PRO 28 Cb 0.42 -1.35 0.59 0.00 -0.04 0.00 0.00 33.50 33.13 3i78 n PRO 28 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3i78 n PHE 29 N 0.45 0.00 -2.07 0.54 1.16 -1.22 -4.37 117.46 111.95 3i78 n PHE 29 Ca 0.15 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.32 3i78 n PHE 29 Cb 0.33 -0.04 -0.02 0.00 -1.61 0.00 0.00 39.48 38.13 3i78 n PHE 29 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 3i78 s MET 30 N -2.13 4.31 -0.00 3.97 -1.94 -1.11 -1.52 119.30 120.88 3i78 s MET 30 Ca 0.37 2.25 0.05 0.00 -1.71 0.00 0.00 55.69 56.65 3i78 s MET 30 Cb 0.21 -3.10 -0.02 0.00 2.01 0.00 0.00 34.83 33.93 3i78 s MET 30 CO 0.38 -0.32 -0.17 0.08 -0.01 0.00 0.00 175.02 174.98 3i78 s VAL 31 N -0.41 1.36 -0.23 -6.03 1.01 0.56 -4.40 120.40 112.26 3i78 s VAL 31 Ca 0.55 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 3i78 s VAL 31 Cb -0.41 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3i78 s VAL 31 CO 0.46 0.32 0.06 -0.60 0.00 0.00 0.00 175.10 175.34 3i78 s ARG 32 N -0.57 3.71 -0.12 2.72 6.06 -0.39 -1.58 118.95 128.78 3i78 s ARG 32 Ca 0.06 -0.46 -0.02 0.00 -2.50 0.00 0.00 55.73 52.81 3i78 s ARG 32 Cb -0.07 -3.26 -0.03 0.00 0.06 0.00 0.00 34.95 31.65 3i78 s ARG 32 CO -0.00 -0.06 -0.03 -0.51 -2.50 0.00 0.00 175.30 172.19 3i78 s LEU 33 N 1.27 3.35 -0.11 -0.88 1.43 -0.52 -0.69 118.68 122.53 3i78 s LEU 33 Ca 0.05 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 3i78 s LEU 33 Cb -0.15 -1.78 0.04 0.00 0.03 0.00 0.00 46.19 44.33 3i78 s LEU 33 CO 0.03 0.27 0.03 -0.63 0.23 0.00 0.00 176.35 176.28 3i78 s ILE 34 N -0.23 0.27 -0.99 -0.59 1.01 -0.91 -1.31 121.20 118.44 3i78 s ILE 34 Ca 0.04 -0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.58 3i78 s ILE 34 Cb -0.13 -0.59 0.25 0.00 0.01 0.00 0.00 42.46 42.01 3i78 s ILE 34 CO 0.02 0.07 0.96 0.21 0.00 0.00 0.00 174.94 176.21 3i78 s ASN 35 N 2.00 7.00 0.00 3.58 3.84 0.79 -1.72 114.94 130.43 3i78 s ASN 35 Ca 0.03 -3.30 0.00 0.00 0.21 0.00 0.00 52.86 49.80 3i78 s ASN 35 Cb -0.14 -2.18 0.00 0.00 -0.55 0.00 0.00 41.25 38.38 3i78 s ASN 35 CO -0.06 -0.37 0.00 -0.62 -2.79 0.00 0.00 177.10 173.26 3i78 n GLU 36 N 3.10 0.00 -0.04 0.43 1.02 -1.24 0.41 120.64 124.33 3i78 n GLU 36 Ca 0.20 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.25 3i78 n GLU 36 Cb 0.42 -0.91 -0.03 0.00 -0.02 0.00 0.00 31.44 30.90 3i78 n GLU 36 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3i78 n GLU 37 N 0.10 0.19 -0.16 3.49 2.13 -1.26 -4.61 120.64 120.53 3i78 n GLU 37 Ca 0.00 0.08 0.12 0.00 0.66 0.00 0.00 57.16 58.02 3i78 n GLU 37 Cb 0.00 -0.82 0.20 0.00 0.27 0.00 0.00 31.44 31.09 3i78 n GLU 37 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3i78 n ASN 38 N -3.47 3.36 -1.84 4.31 6.94 -0.75 -4.96 115.26 118.84 3i78 n ASN 38 Ca -0.16 -1.99 -0.08 0.00 -0.02 0.00 0.00 54.58 52.33 3i78 n ASN 38 Cb 0.56 -0.21 0.03 0.00 -2.36 0.00 0.00 39.78 37.81 3i78 n ASN 38 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3i78 n GLU 39 N 1.45 -2.84 -4.56 -3.83 1.02 0.17 -5.01 120.64 107.04 3i78 n GLU 39 Ca 0.19 0.33 -0.21 0.00 -0.02 0.00 0.00 57.16 57.44 3i78 n GLU 39 Cb 0.60 -3.82 -0.15 0.00 -0.02 0.00 0.00 31.44 28.05 3i78 n GLU 39 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3i78 s GLY 40 N -3.35 0.63 -0.30 0.62 0.00 -1.08 -4.92 107.32 98.92 3i78 s GLY 40 Ca 0.11 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.30 3i78 s GLY 40 CO 0.29 -0.39 -0.01 -1.36 0.00 0.00 0.00 173.10 171.62 3i78 s PHE 41 N -0.20 3.34 0.50 1.90 0.08 -1.26 -0.15 117.98 122.19 3i78 s PHE 41 Ca 0.03 -2.17 0.01 0.00 0.12 0.00 0.00 56.93 54.93 3i78 s PHE 41 Cb -0.06 -2.23 -0.01 0.00 -0.57 0.00 0.00 43.02 40.15 3i78 s PHE 41 CO -0.00 -0.86 0.01 0.00 -0.10 0.00 0.00 175.22 174.28 3i78 s GLY 43 N -3.85 1.99 0.05 0.00 0.00 0.25 -1.44 107.32 104.33 3i78 s GLY 43 Ca 0.08 -1.80 -0.28 0.00 0.00 0.00 0.00 44.72 42.71 3i78 s GLY 43 CO 0.04 -1.63 1.01 -0.32 0.00 0.00 0.00 173.10 172.20 3i78 s GLY 44 N -4.35 -0.34 0.02 0.20 0.00 -0.62 -3.04 107.32 99.20 3i78 s GLY 44 Ca 0.53 0.60 0.06 0.00 0.00 0.00 0.00 44.72 45.91 3i78 s GLY 44 CO 0.32 0.16 -0.17 0.00 0.00 0.00 0.00 173.10 173.42 3i78 s ALA 45 N -3.02 1.40 -0.68 3.20 0.00 0.44 -0.32 121.76 122.77 3i78 s ALA 45 Ca 0.10 -0.83 -0.26 0.00 0.00 0.00 0.00 51.96 50.97 3i78 s ALA 45 Cb -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 3i78 s ALA 45 CO -0.03 0.31 1.74 -0.51 0.00 0.00 0.00 175.76 177.28 3i78 s LEU 46 N -0.83 3.26 -0.02 0.00 1.43 -0.57 0.27 118.68 122.22 3i78 s LEU 46 Ca 0.05 0.02 -0.24 0.00 -1.03 0.00 0.00 54.13 52.93 3i78 s LEU 46 Cb -0.07 -2.54 -0.18 0.00 0.03 0.00 0.00 46.19 43.43 3i78 s LEU 46 CO 0.01 -2.29 1.18 0.22 0.23 0.00 0.00 176.35 175.70 3i78 h TYR 47 N 13.46 -0.17 -1.81 0.29 5.03 -0.80 -2.65 116.97 130.32 3i78 h TYR 47 Ca -0.21 -0.00 -0.54 0.00 2.58 0.00 0.00 58.73 60.55 3i78 h TYR 47 Cb 1.12 0.06 -0.07 0.00 1.55 0.00 0.00 36.73 39.38 3i78 h TYR 47 CO 1.09 0.24 -0.52 0.00 -1.32 0.00 0.00 178.16 177.65 3i78 s ALA 48 N -4.37 3.56 0.43 1.82 0.00 -0.92 -4.63 121.76 117.64 3i78 s ALA 48 Ca -0.15 -1.87 0.34 0.00 0.00 0.00 0.00 51.96 50.29 3i78 s ALA 48 Cb 0.02 -0.71 1.86 0.00 0.00 0.00 0.00 23.12 24.29 3i78 s ALA 48 CO 0.59 -0.01 2.04 1.96 0.00 0.00 0.00 175.76 180.33 3i78 h GLN 49 N 1.49 0.00 0.00 0.00 4.20 -1.85 -1.21 115.11 117.74 3i78 h GLN 49 Ca -0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.28 3i78 h GLN 49 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 3i78 h GLN 49 CO 0.64 0.00 -0.05 -0.40 -0.67 0.00 0.00 178.83 178.34 3i78 n ASP 50 N -2.78 1.56 -4.12 1.46 5.75 -1.26 0.15 116.55 117.31 3i78 n ASP 50 Ca -0.02 -2.14 -0.29 0.00 -0.01 0.00 0.00 54.79 52.32 3i78 n ASP 50 Cb 0.15 -0.14 -0.17 0.00 -1.03 0.00 0.00 41.12 39.93 3i78 n ASP 50 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3i78 s ILE 51 N -1.26 1.69 -0.15 2.12 1.01 -0.46 0.15 121.20 124.30 3i78 s ILE 51 Ca 0.09 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 3i78 s ILE 51 Cb 0.08 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 3i78 s ILE 51 CO 0.01 0.48 0.01 -0.69 0.00 0.00 0.00 174.94 174.75 3i78 s VAL 52 N 0.68 4.37 0.04 2.92 1.01 0.38 -0.12 120.40 129.67 3i78 s VAL 52 Ca -0.12 -0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 3i78 s VAL 52 Cb -0.16 -2.93 -0.06 0.00 0.00 0.00 0.00 36.38 33.23 3i78 s VAL 52 CO 0.03 0.50 0.63 -0.22 0.00 0.00 0.00 175.10 176.04 3i78 s LEU 53 N 0.14 4.47 0.00 3.92 2.96 0.77 -1.85 118.68 129.08 3i78 s LEU 53 Ca 0.02 1.28 -0.02 0.00 -0.22 0.00 0.00 54.13 55.19 3i78 s LEU 53 Cb -0.13 -3.00 0.01 0.00 0.50 0.00 0.00 46.19 43.57 3i78 s LEU 53 CO 0.02 0.14 0.08 1.07 -1.32 0.00 0.00 176.35 176.34 3i78 n THR 54 N 2.38 0.00 -2.96 3.68 5.66 -0.53 -0.42 114.28 122.08 3i78 n THR 54 Ca -0.07 -0.08 -0.38 0.00 -3.05 0.00 0.00 64.05 60.47 3i78 n THR 54 Cb 0.51 0.09 -0.06 0.00 -1.55 0.00 0.00 70.33 69.31 3i78 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i78 s ALA 55 N -1.10 3.38 0.24 1.79 0.00 -1.26 -1.02 121.76 123.79 3i78 s ALA 55 Ca 0.02 0.35 -0.07 0.00 0.00 0.00 0.00 51.96 52.26 3i78 s ALA 55 Cb -0.00 -2.98 0.26 0.00 0.00 0.00 0.00 23.12 20.40 3i78 s ALA 55 CO 0.01 0.28 1.89 0.00 0.00 0.00 0.00 175.76 177.93 3i78 h ALA 56 N 3.80 1.16 0.00 0.00 0.00 -1.68 -2.84 119.26 119.70 3i78 h ALA 56 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3i78 h ALA 56 Cb 1.20 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3i78 h ALA 56 CO 0.66 0.45 0.00 -2.39 0.00 0.00 0.00 179.25 177.96 3i78 n HIS 57 N -4.51 0.00 1.42 0.00 1.44 -1.26 -2.49 115.22 109.82 3i78 n HIS 57 Ca 0.11 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.96 3i78 n HIS 57 Cb 0.07 0.00 0.55 0.00 0.12 0.00 0.00 29.99 30.73 3i78 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3i78 s VAL 59 N -2.33 0.01 -0.14 0.00 -7.23 -1.04 -4.93 120.40 104.74 3i78 s VAL 59 Ca 0.31 -1.86 -0.13 0.00 -1.81 0.00 0.00 61.98 58.49 3i78 s VAL 59 Cb 0.20 -2.37 -0.06 0.00 0.56 0.00 0.00 36.38 34.72 3i78 s VAL 59 CO 0.45 -0.07 -0.27 -1.20 -0.31 0.00 0.00 175.10 173.70 3i78 n SER 60 N -0.27 1.67 -2.49 4.85 7.64 -1.26 -4.98 113.62 118.78 3i78 n SER 60 Ca 0.00 0.28 -0.10 0.00 1.01 0.00 0.00 58.87 60.05 3i78 n SER 60 Cb 0.65 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 63.18 3i78 n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i78 n GLY 60 N 1.86 3.78 3.98 0.23 0.00 -1.26 -5.09 105.19 108.69 3i78 n GLY 60 Ca -0.20 -2.03 -0.22 0.00 0.00 0.00 0.00 46.02 43.57 3i78 n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i78 s SER 60 N -2.01 5.04 0.00 1.61 0.01 -1.26 -4.44 113.70 112.65 3i78 s SER 60 Ca 0.07 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.23 3i78 s SER 60 Cb 0.00 -0.64 0.00 0.00 0.21 0.00 0.00 66.02 65.59 3i78 s SER 60 CO 0.05 -1.33 0.00 0.61 0.41 0.00 0.00 173.24 172.98 3i78 n GLY 60 N -2.47 -0.68 3.75 3.44 0.00 0.09 -4.93 105.19 104.39 3i78 n GLY 60 Ca 0.10 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 3i78 n GLY 60 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i78 s ASN 60 N -4.00 7.56 -0.26 1.61 0.01 -1.26 0.54 114.94 119.15 3i78 s ASN 60 Ca 0.00 1.85 -0.05 0.00 -0.71 0.00 0.00 52.86 53.95 3i78 s ASN 60 Cb 0.00 -2.58 0.14 0.00 0.41 0.00 0.00 41.25 39.22 3i78 s ASN 60 CO 0.00 0.14 0.51 0.21 -1.51 0.00 0.00 177.10 176.44 3i78 s ASN 61 N -0.98 -0.63 0.00 -1.22 3.84 0.15 -4.84 114.94 111.26 3i78 s ASN 61 Ca 0.41 0.91 0.24 0.00 0.21 0.00 0.00 52.86 54.63 3i78 s ASN 61 Cb -0.25 1.72 0.82 0.00 -0.55 0.00 0.00 41.25 42.99 3i78 s ASN 61 CO 0.30 -0.25 1.60 0.35 -2.79 0.00 0.00 177.10 176.31 3i78 n THR 62 N 5.41 0.13 0.03 -5.21 -2.24 -1.25 -2.59 114.28 108.56 3i78 n THR 62 Ca -0.06 -0.34 -0.08 0.00 -2.27 0.00 0.00 64.05 61.29 3i78 n THR 62 Cb 0.50 0.53 -0.13 0.00 -2.10 0.00 0.00 70.33 69.13 3i78 n THR 62 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3i78 h SER 63 N 2.56 0.03 -3.33 3.42 0.87 -1.95 -3.38 113.55 111.78 3i78 h SER 63 Ca 0.00 -0.05 -0.56 0.00 -1.23 0.00 0.00 61.79 59.96 3i78 h SER 63 Cb 0.55 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.46 3i78 h SER 63 CO 0.00 1.04 -0.02 -0.63 -0.53 0.00 0.00 176.83 176.69 3i78 s ILE 64 N -2.66 4.73 -0.30 2.23 1.01 -1.26 -3.62 121.20 121.33 3i78 s ILE 64 Ca -0.02 1.13 0.03 0.00 0.00 0.00 0.00 60.65 61.79 3i78 s ILE 64 Cb 0.09 -3.85 0.08 0.00 0.01 0.00 0.00 42.46 38.79 3i78 s ILE 64 CO 0.82 0.40 -0.00 -0.89 0.00 0.00 0.00 174.94 175.27 3i78 s THR 65 N -1.29 2.02 -0.09 2.92 2.01 -0.70 -0.57 115.64 119.94 3i78 s THR 65 Ca 0.34 -1.91 -0.23 0.00 0.31 0.00 0.00 61.69 60.20 3i78 s THR 65 Cb -0.18 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 3i78 s THR 65 CO 0.20 -0.38 0.69 0.00 -0.69 0.00 0.00 174.62 174.43 3i78 s ALA 66 N 1.09 3.39 -0.07 7.40 0.00 -0.98 -2.15 121.76 130.43 3i78 s ALA 66 Ca 0.03 0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.04 3i78 s ALA 66 Cb -0.19 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 3i78 s ALA 66 CO -0.09 -0.20 -0.04 0.99 0.00 0.00 0.00 175.76 176.43 3i78 s THR 67 N 1.04 3.96 0.19 0.00 2.01 0.14 -1.25 115.64 121.73 3i78 s THR 67 Ca 0.36 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 62.01 3i78 s THR 67 Cb -0.17 -2.64 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 3i78 s THR 67 CO 0.16 0.60 0.18 0.61 -0.69 0.00 0.00 174.62 175.49 3i78 n GLY 68 N 2.18 3.25 4.14 4.40 0.00 -0.60 -1.26 105.19 117.31 3i78 n GLY 68 Ca -0.18 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.08 3i78 n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i78 n GLY 69 N -0.36 1.87 3.76 -0.02 0.00 -1.26 -2.47 105.19 106.70 3i78 n GLY 69 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3i78 n GLY 69 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i78 s VAL 70 N 0.00 4.37 -0.51 1.61 -7.23 -1.26 -4.70 120.40 112.67 3i78 s VAL 70 Ca 0.00 -0.92 0.23 0.00 -1.81 0.00 0.00 61.98 59.47 3i78 s VAL 70 Cb 0.00 -3.13 -0.11 0.00 0.56 0.00 0.00 36.38 33.69 3i78 s VAL 70 CO 0.00 0.06 0.99 1.33 -0.31 0.00 0.00 175.10 177.17 3i78 n VAL 71 N 0.26 0.22 -3.57 1.32 0.24 -1.26 -4.81 118.33 110.74 3i78 n VAL 71 Ca -0.09 -0.31 -0.41 0.00 -2.04 0.00 0.00 64.34 61.49 3i78 n VAL 71 Cb 0.53 0.11 -0.11 0.00 -1.47 0.00 0.00 33.84 32.90 3i78 n VAL 71 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i78 s ASP 72 N -4.17 5.78 0.00 -1.34 2.15 -1.26 0.00 116.67 117.83 3i78 s ASP 72 Ca 0.02 -1.10 0.00 0.00 0.43 0.00 0.00 52.55 51.90 3i78 s ASP 72 Cb 0.14 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.72 3i78 s ASP 72 CO 0.81 -0.44 0.88 0.18 -0.17 0.00 0.00 175.17 176.43 3i78 n LEU 73 N 5.01 0.00 -0.09 -1.34 4.77 0.77 -2.58 117.00 123.55 3i78 n LEU 73 Ca -0.11 0.39 -0.14 0.00 -0.03 0.00 0.00 56.01 56.11 3i78 n LEU 73 Cb 0.45 -0.39 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 3i78 n LEU 73 CO 0.38 -0.39 -1.11 0.00 -1.33 0.00 0.00 177.39 174.94 3i78 n GLN 75 N -1.38 0.44 -0.01 3.23 6.02 -1.26 -4.97 117.38 119.45 3i78 n GLN 75 Ca 0.00 0.12 -0.00 0.00 -0.01 0.00 0.00 57.00 57.11 3i78 n GLN 75 Cb 0.06 -1.32 -0.00 0.00 1.02 0.00 0.00 30.24 30.00 3i78 n GLN 75 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3i78 n SER 76 N -3.23 0.01 0.00 1.08 2.88 -1.06 -4.54 113.62 108.76 3i78 n SER 76 Ca -0.34 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.21 3i78 n SER 76 Cb 0.82 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 3i78 n SER 76 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3i78 n SER 77 N 0.02 0.00 0.06 -3.46 3.41 -1.26 -1.50 113.62 110.89 3i78 n SER 77 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 3i78 n SER 77 Cb -0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3i78 n SER 77 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i78 n SER 79 N -2.15 0.63 -3.30 4.04 7.64 -1.26 -4.94 113.62 114.27 3i78 n SER 79 Ca 0.00 0.25 -0.30 0.00 1.01 0.00 0.00 58.87 59.83 3i78 n SER 79 Cb 0.00 0.75 0.01 0.00 -1.01 0.00 0.00 64.21 63.97 3i78 n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i78 n ALA 80 N -2.27 -3.32 -3.29 -0.43 0.00 -0.56 -4.86 120.51 105.78 3i78 n ALA 80 Ca -0.04 -0.17 -0.37 0.00 0.00 0.00 0.00 53.44 52.86 3i78 n ALA 80 Cb 0.64 -1.05 -0.13 0.00 0.00 0.00 0.00 19.45 18.91 3i78 n ALA 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i78 s VAL 81 N -1.58 3.70 -0.21 0.00 1.01 -1.03 -4.93 120.40 117.36 3i78 s VAL 81 Ca 0.41 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 3i78 s VAL 81 Cb -0.33 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 3i78 s VAL 81 CO 0.56 -0.03 0.39 -0.54 0.00 0.00 0.00 175.10 175.48 3i78 s LYS 82 N 1.42 4.16 -0.05 2.72 3.01 -1.26 -1.55 119.74 128.19 3i78 s LYS 82 Ca -0.00 0.18 0.02 0.00 -1.01 0.00 0.00 55.97 55.16 3i78 s LYS 82 Cb -0.18 -3.55 0.02 0.00 -1.01 0.00 0.00 37.83 33.11 3i78 s LYS 82 CO 0.02 -0.06 -0.07 0.08 0.51 0.00 0.00 175.35 175.83 3i78 s VAL 83 N 1.38 0.69 0.21 3.17 1.01 -0.38 -4.98 120.40 121.50 3i78 s VAL 83 Ca 0.19 -0.23 -0.27 0.00 0.00 0.00 0.00 61.98 61.67 3i78 s VAL 83 Cb -0.15 -0.68 -0.09 0.00 0.00 0.00 0.00 36.38 35.47 3i78 s VAL 83 CO 0.08 0.25 0.85 -0.13 0.00 0.00 0.00 175.10 176.15 3i78 s ARG 84 N 0.74 4.65 0.79 2.72 0.52 -1.26 -2.32 118.95 124.79 3i78 s ARG 84 Ca -0.11 1.28 -0.13 0.00 -0.52 0.00 0.00 55.73 56.24 3i78 s ARG 84 Cb -0.14 -3.19 0.07 0.00 0.52 0.00 0.00 34.95 32.21 3i78 s ARG 84 CO 0.01 0.51 1.18 -1.54 0.02 0.00 0.00 175.30 175.48 3i78 s SER 85 N -1.25 3.80 0.00 0.23 1.04 0.26 -1.77 113.70 116.02 3i78 s SER 85 Ca 0.40 2.26 0.00 0.00 0.48 0.00 0.00 55.95 59.09 3i78 s SER 85 Cb -0.23 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.31 3i78 s SER 85 CO 0.28 -2.52 0.00 0.35 0.98 0.00 0.00 173.24 172.33 3i78 n THR 86 N -3.27 0.00 -3.86 2.02 -2.24 -0.86 -3.86 114.28 102.20 3i78 n THR 86 Ca 0.13 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.80 3i78 n THR 86 Cb 0.51 -1.31 -0.09 0.00 -2.10 0.00 0.00 70.33 67.34 3i78 n THR 86 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3i78 s LYS 87 N -2.00 0.61 -0.09 -0.78 -2.85 -1.26 -0.68 119.74 112.71 3i78 s LYS 87 Ca 0.00 -0.54 0.04 0.00 -1.00 0.00 0.00 55.97 54.47 3i78 s LYS 87 Cb 0.00 0.25 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 3i78 s LYS 87 CO 0.00 -0.16 -0.21 0.08 0.10 0.00 0.00 175.35 175.15 3i78 s VAL 88 N -2.10 1.85 -0.34 1.79 1.01 0.19 -0.28 120.40 122.53 3i78 s VAL 88 Ca -0.09 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.01 3i78 s VAL 88 Cb -0.03 -1.61 0.09 0.00 0.00 0.00 0.00 36.38 34.83 3i78 s VAL 88 CO -0.02 0.51 0.05 -0.22 0.00 0.00 0.00 175.10 175.43 3i78 s LEU 89 N 0.35 4.60 -0.26 3.92 0.20 0.70 -0.73 118.68 127.46 3i78 s LEU 89 Ca -0.16 -1.95 -0.20 0.00 0.69 0.00 0.00 54.13 52.51 3i78 s LEU 89 Cb -0.17 -1.66 -0.02 0.00 -0.43 0.00 0.00 46.19 43.91 3i78 s LEU 89 CO 0.07 -0.37 0.60 -1.58 -0.29 0.00 0.00 176.35 174.77 3i78 s GLN 90 N 1.00 4.10 -0.19 1.98 0.74 -1.26 -0.41 119.66 125.62 3i78 s GLN 90 Ca 0.06 0.48 -0.17 0.00 0.05 0.00 0.00 55.36 55.78 3i78 s GLN 90 Cb -0.20 -3.65 -0.08 0.00 1.10 0.00 0.00 33.01 30.18 3i78 s GLN 90 CO -0.06 -0.40 0.73 0.00 -0.55 0.00 0.00 175.29 175.01 3i78 n ALA 91 N 5.66 -0.19 -1.83 1.58 0.00 -0.83 -4.79 120.51 120.11 3i78 n ALA 91 Ca -0.02 0.13 -0.41 0.00 0.00 0.00 0.00 53.44 53.14 3i78 n ALA 91 Cb 0.49 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 3i78 n ALA 91 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3i78 s PRO 92 N 1.80 4.51 0.00 0.00 0.02 -1.26 -2.52 135.00 137.55 3i78 s PRO 92 Ca 0.44 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.42 3i78 s PRO 92 Cb -0.58 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 30.78 3i78 s PRO 92 CO 0.28 0.00 0.00 0.41 -0.33 0.00 0.00 177.00 177.36 3i78 n GLY 93 N 1.35 0.63 3.70 0.52 0.00 -1.26 -5.04 105.19 105.10 3i78 n GLY 93 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3i78 n GLY 93 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i78 s PHE 94 N -2.05 3.39 -0.28 1.61 5.36 -1.05 -4.74 117.98 120.23 3i78 s PHE 94 Ca 0.00 1.37 -0.07 0.00 -0.96 0.00 0.00 56.93 57.27 3i78 s PHE 94 Cb 0.00 -3.34 -0.01 0.00 -0.34 0.00 0.00 43.02 39.33 3i78 s PHE 94 CO 0.00 -0.96 0.08 0.95 -1.46 0.00 0.00 175.22 173.83 3i78 s THR 95 N 1.56 4.16 0.45 0.12 -4.23 -1.03 -4.94 115.64 111.73 3i78 s THR 95 Ca 0.55 -0.45 0.24 0.00 -1.18 0.00 0.00 61.69 60.86 3i78 s THR 95 Cb -0.25 -3.05 0.44 0.00 1.34 0.00 0.00 72.50 70.97 3i78 s THR 95 CO 0.25 0.19 1.81 0.50 -0.54 0.00 0.00 174.62 176.83 3i78 h LYS 96 N 8.25 0.25 0.00 3.99 3.64 -1.94 0.36 116.57 131.11 3i78 h LYS 96 Ca -0.35 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3i78 h LYS 96 Cb 1.15 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3i78 h LYS 96 CO 0.60 0.17 -0.00 0.93 -2.27 0.00 0.00 179.45 178.87 3i78 h GLU 97 N 0.26 0.00 0.00 1.90 3.07 -1.98 -3.19 114.58 114.64 3i78 h GLU 97 Ca 0.55 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.41 3i78 h GLU 97 Cb 1.65 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.56 3i78 h GLU 97 CO -0.18 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 177.68 3i78 n THR 98 N -3.49 0.00 -2.10 1.13 -2.24 -0.01 -4.98 114.28 102.58 3i78 n THR 98 Ca -0.03 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.60 3i78 n THR 98 Cb 0.08 1.82 -0.03 0.00 -2.10 0.00 0.00 70.33 70.10 3i78 n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3i78 n TYR 99 N 0.00 -0.97 -2.65 4.78 4.02 0.11 -4.92 117.16 117.53 3i78 n TYR 99 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 3i78 n TYR 99 Cb 0.28 -2.98 -0.05 0.00 -0.02 0.00 0.00 39.34 36.58 3i78 n TYR 99 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3i78 s GLY 100 N -2.10 2.98 -0.85 2.72 0.00 -1.20 -3.71 107.32 105.16 3i78 s GLY 100 Ca 0.00 0.68 -0.03 0.00 0.00 0.00 0.00 44.72 45.37 3i78 s GLY 100 CO 0.00 1.47 0.73 0.28 0.00 0.00 0.00 173.10 175.58 3i78 n LYS 101 N 2.31 -4.86 -2.70 2.90 5.02 -1.26 -2.47 118.16 117.09 3i78 n LYS 101 Ca 0.01 0.55 -0.43 0.00 -2.02 0.00 0.00 58.31 56.42 3i78 n LYS 101 Cb 0.47 -4.71 -0.01 0.00 -0.02 0.00 0.00 35.03 30.77 3i78 n LYS 101 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i78 s ASP 102 N -3.49 6.84 -0.04 4.39 2.15 -1.24 -4.43 116.67 120.85 3i78 s ASP 102 Ca 0.23 -2.43 -0.15 0.00 0.43 0.00 0.00 52.55 50.62 3i78 s ASP 102 Cb -0.10 -2.52 0.03 0.00 -0.30 0.00 0.00 42.92 40.03 3i78 s ASP 102 CO 0.48 -1.09 0.34 -1.66 -0.17 0.00 0.00 175.17 173.06 3i78 s TRP 103 N 3.49 -0.24 -0.13 -5.34 1.48 -1.26 -3.87 118.94 113.08 3i78 s TRP 103 Ca 0.48 0.42 -0.29 0.00 -1.06 0.00 0.00 56.10 55.65 3i78 s TRP 103 Cb 0.01 0.12 0.07 0.00 -1.16 0.00 0.00 33.47 32.51 3i78 s TRP 103 CO 0.02 -0.37 0.71 0.00 -4.06 0.00 0.00 176.95 173.25 3i78 s ALA 104 N -1.08 -1.78 0.19 2.67 0.00 -0.19 -1.97 121.76 119.60 3i78 s ALA 104 Ca -0.11 1.56 0.05 0.00 0.00 0.00 0.00 51.96 53.46 3i78 s ALA 104 Cb -0.05 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 3i78 s ALA 104 CO 0.04 -0.36 0.17 -0.51 0.00 0.00 0.00 175.76 175.10 3i78 s LEU 105 N -0.67 3.84 -0.03 0.00 1.43 0.46 -1.46 118.68 122.25 3i78 s LEU 105 Ca -0.07 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 3i78 s LEU 105 Cb -0.02 -2.43 0.03 0.00 0.03 0.00 0.00 46.19 43.80 3i78 s LEU 105 CO 0.07 0.03 0.00 -0.63 0.23 0.00 0.00 176.35 176.05 3i78 s ILE 106 N -1.87 0.14 0.19 -0.59 1.01 -0.77 -0.21 121.20 119.10 3i78 s ILE 106 Ca 0.32 0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.96 3i78 s ILE 106 Cb -0.09 -0.23 -0.07 0.00 0.01 0.00 0.00 42.46 42.08 3i78 s ILE 106 CO 0.24 0.13 0.53 -0.75 0.00 0.00 0.00 174.94 175.09 3i78 s LYS 107 N 0.94 3.82 0.28 2.79 2.47 0.61 -0.47 119.74 130.18 3i78 s LYS 107 Ca -0.09 0.29 0.07 0.00 -1.56 0.00 0.00 55.97 54.67 3i78 s LYS 107 Cb -0.13 -2.75 -0.03 0.00 -1.46 0.00 0.00 37.83 33.47 3i78 s LYS 107 CO -0.02 0.38 0.29 -0.51 0.16 0.00 0.00 175.35 175.65 3i78 s LEU 108 N -2.55 3.88 -0.10 5.43 1.43 0.39 -2.04 118.68 125.12 3i78 s LEU 108 Ca 0.44 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 3i78 s LEU 108 Cb -0.12 -2.47 -0.00 0.00 0.03 0.00 0.00 46.19 43.63 3i78 s LEU 108 CO 0.21 -0.18 0.00 0.00 0.23 0.00 0.00 176.35 176.61 3i78 h ALA 109 N 1.29 0.00 -2.59 4.21 0.00 -1.64 -3.43 119.26 117.10 3i78 h ALA 109 Ca -0.48 -0.02 -0.47 0.00 0.00 0.00 0.00 54.91 53.94 3i78 h ALA 109 Cb 1.24 0.02 0.10 0.00 0.00 0.00 0.00 17.79 19.14 3i78 h ALA 109 CO 0.59 0.02 0.41 -0.65 0.00 0.00 0.00 179.25 179.62 3i78 s GLN 110 N -1.58 2.14 0.10 0.00 -0.21 -1.26 -5.08 119.66 113.77 3i78 s GLN 110 Ca -0.01 0.19 0.02 0.00 0.02 0.00 0.00 55.36 55.58 3i78 s GLN 110 Cb 0.00 -1.96 -0.04 0.00 1.00 0.00 0.00 33.01 32.01 3i78 s GLN 110 CO 0.01 -1.49 0.22 -2.14 -2.12 0.00 0.00 175.29 169.77 3i78 s PRO 111 N -5.53 3.34 -0.29 2.91 0.02 -1.26 -4.69 135.00 129.49 3i78 s PRO 111 Ca 0.61 -0.56 -0.14 0.00 0.02 0.00 0.00 61.00 60.94 3i78 s PRO 111 Cb -0.11 -2.95 -0.03 0.00 0.02 0.00 0.00 34.50 31.43 3i78 s PRO 111 CO 0.50 0.56 0.31 0.42 -0.33 0.00 0.00 177.00 178.46 3i78 s ILE 112 N -1.60 5.21 -1.38 2.83 1.01 0.40 -4.92 121.20 122.75 3i78 s ILE 112 Ca 0.34 0.30 -0.14 0.00 0.00 0.00 0.00 60.65 61.15 3i78 s ILE 112 Cb -0.12 -3.68 0.07 0.00 0.01 0.00 0.00 42.46 38.74 3i78 s ILE 112 CO 0.27 0.12 2.02 -3.20 0.00 0.00 0.00 174.94 174.15 3i78 n ASN 113 N 5.26 4.38 -3.95 3.58 5.15 -1.26 -4.66 115.26 123.76 3i78 n ASN 113 Ca -0.10 -2.91 -0.24 0.00 -0.60 0.00 0.00 54.58 50.73 3i78 n ASN 113 Cb 0.51 -1.65 -0.08 0.00 -0.53 0.00 0.00 39.78 38.03 3i78 n ASN 113 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3i78 s GLN 118 N 2.90 1.90 0.09 1.20 -1.52 -1.26 -5.11 119.66 117.85 3i78 s GLN 118 Ca 0.47 -2.15 -0.22 0.00 -1.95 0.00 0.00 55.36 51.51 3i78 s GLN 118 Cb 0.10 -0.40 -0.07 0.00 -0.22 0.00 0.00 33.01 32.43 3i78 s GLN 118 CO -0.03 -0.52 0.66 -2.14 -0.25 0.00 0.00 175.29 173.00 3i78 s PRO 119 N -3.65 4.36 0.36 2.91 0.02 -1.26 -4.87 135.00 132.87 3i78 s PRO 119 Ca 0.27 0.90 0.07 0.00 0.02 0.00 0.00 61.00 62.26 3i78 s PRO 119 Cb 0.02 -3.27 -0.01 0.00 0.02 0.00 0.00 34.50 31.26 3i78 s PRO 119 CO 0.17 0.54 0.43 0.95 -0.33 0.00 0.00 177.00 178.76 3i78 s THR 120 N -0.87 3.56 -0.24 0.99 -4.23 -1.26 -3.38 115.64 110.21 3i78 s THR 120 Ca 0.32 -1.14 -0.09 0.00 -1.18 0.00 0.00 61.69 59.60 3i78 s THR 120 Cb -0.21 -3.22 -0.04 0.00 1.34 0.00 0.00 72.50 70.37 3i78 s THR 120 CO 0.21 -0.11 0.13 -0.22 -0.54 0.00 0.00 174.62 174.09 3i78 s LEU 121 N -4.15 3.89 0.46 4.79 2.96 -1.00 -4.96 118.68 120.67 3i78 s LEU 121 Ca 0.46 0.02 -0.22 0.00 -0.22 0.00 0.00 54.13 54.17 3i78 s LEU 121 Cb -0.08 -2.04 -0.08 0.00 0.50 0.00 0.00 46.19 44.49 3i78 s LEU 121 CO 0.30 0.05 1.09 -0.75 -1.32 0.00 0.00 176.35 175.72 3i78 s LYS 122 N 1.16 3.85 -0.03 1.98 2.20 -1.26 -4.68 119.74 122.95 3i78 s LYS 122 Ca 0.06 1.57 0.03 0.00 -0.36 0.00 0.00 55.97 57.27 3i78 s LYS 122 Cb -0.14 -2.33 -0.03 0.00 -1.51 0.00 0.00 37.83 33.82 3i78 s LYS 122 CO 0.05 -0.43 -0.10 0.96 -0.36 0.00 0.00 175.35 175.47 3i78 s ILE 123 N -1.71 3.46 0.23 5.43 -4.36 -1.26 -0.75 121.20 122.24 3i78 s ILE 123 Ca 0.64 -0.69 -0.30 0.00 -0.26 0.00 0.00 60.65 60.04 3i78 s ILE 123 Cb -0.23 -2.43 -0.10 0.00 1.25 0.00 0.00 42.46 40.95 3i78 s ILE 123 CO 0.28 0.51 1.43 0.00 0.24 0.00 0.00 174.94 177.40 3i78 s ALA 124 N -0.86 3.63 -0.35 2.27 0.00 -0.77 -4.81 121.76 120.87 3i78 s ALA 124 Ca 0.14 1.30 0.03 0.00 0.00 0.00 0.00 51.96 53.43 3i78 s ALA 124 Cb -0.11 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.50 3i78 s ALA 124 CO 0.03 -0.72 0.71 0.25 0.00 0.00 0.00 175.76 176.03 3i78 n THR 125 N 2.52 0.24 -4.20 0.00 -2.24 -1.26 -3.93 114.28 105.41 3i78 n THR 125 Ca 0.07 -0.62 -0.16 0.00 -2.27 0.00 0.00 64.05 61.07 3i78 n THR 125 Cb 0.40 0.93 -0.07 0.00 -2.10 0.00 0.00 70.33 69.49 3i78 n THR 125 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3i78 s THR 128 N -0.43 0.00 -2.79 4.28 -1.32 -1.26 -4.89 115.64 109.22 3i78 s THR 128 Ca 0.04 -1.85 0.25 0.00 -1.21 0.00 0.00 61.69 58.91 3i78 s THR 128 Cb 0.03 -2.52 0.22 0.00 -1.51 0.00 0.00 72.50 68.72 3i78 s THR 128 CO 0.04 0.00 1.32 0.35 -2.21 0.00 0.00 174.62 174.12 3i78 n THR 129 N -0.52 0.00 -0.48 5.08 -2.24 -1.26 -4.56 114.28 110.30 3i78 n THR 129 Ca 0.04 -0.43 0.40 0.00 -2.27 0.00 0.00 64.05 61.79 3i78 n THR 129 Cb 0.63 1.30 0.71 0.00 -2.10 0.00 0.00 70.33 70.87 3i78 n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i78 h ALA 130 N 4.54 3.13 -0.48 6.98 0.00 -2.01 0.19 119.26 131.61 3i78 h ALA 130 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3i78 h ALA 130 Cb 0.89 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 3i78 h ALA 130 CO 0.00 -1.64 0.08 0.66 0.00 0.00 0.00 179.25 178.35 3i78 n TYR 131 N -4.33 1.66 -1.23 0.00 4.01 -1.26 -4.66 117.16 111.35 3i78 n TYR 131 Ca 0.35 -1.05 -0.27 0.00 -0.16 0.00 0.00 57.90 56.77 3i78 n TYR 131 Cb 1.51 -0.50 0.04 0.00 -0.31 0.00 0.00 39.34 40.09 3i78 n TYR 131 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3i78 n ASN 132 N -0.29 7.08 -4.30 7.72 4.13 0.05 -4.86 115.26 124.80 3i78 n ASN 132 Ca 0.31 -3.45 -0.16 0.00 1.68 0.00 0.00 54.58 52.96 3i78 n ASN 132 Cb 1.13 -1.05 -0.10 0.00 -1.54 0.00 0.00 39.78 38.22 3i78 n ASN 132 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3i78 s GLN 133 N -2.84 1.33 3.78 3.52 1.11 -1.26 -4.99 119.66 120.31 3i78 s GLN 133 Ca 0.50 -1.70 0.00 0.00 0.01 0.00 0.00 55.36 54.17 3i78 s GLN 133 Cb 0.39 -0.29 0.00 0.00 -1.01 0.00 0.00 33.01 32.09 3i78 s GLN 133 CO -0.07 -0.24 0.00 0.41 0.01 0.00 0.00 175.29 175.40 3i78 n GLY 134 N -0.41 0.30 3.53 3.09 0.00 -1.26 -4.75 105.19 105.69 3i78 n GLY 134 Ca -0.02 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 3i78 n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i78 s THR 135 N 0.00 5.11 -0.08 2.61 2.01 -1.26 0.62 115.64 124.64 3i78 s THR 135 Ca 0.00 -0.11 -0.09 0.00 0.31 0.00 0.00 61.69 61.80 3i78 s THR 135 Cb 0.00 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 3i78 s THR 135 CO 0.00 0.12 0.22 -0.36 -0.69 0.00 0.00 174.62 173.91 3i78 s PHE 136 N 1.71 3.64 -0.03 4.92 0.08 -0.34 -4.80 117.98 123.15 3i78 s PHE 136 Ca 0.06 0.67 -0.16 0.00 0.12 0.00 0.00 56.93 57.62 3i78 s PHE 136 Cb -0.17 -2.04 -0.05 0.00 -0.57 0.00 0.00 43.02 40.19 3i78 s PHE 136 CO 0.09 0.71 0.44 0.99 -0.10 0.00 0.00 175.22 177.35 3i78 s THR 137 N -1.05 5.05 0.17 0.64 2.01 0.33 -1.28 115.64 121.51 3i78 s THR 137 Ca 0.18 0.90 0.08 0.00 0.31 0.00 0.00 61.69 63.15 3i78 s THR 137 Cb -0.13 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 3i78 s THR 137 CO 0.07 0.50 -0.16 0.68 -0.69 0.00 0.00 174.62 175.02 3i78 s VAL 138 N -0.58 1.69 0.02 3.82 -7.23 -0.42 -1.46 120.40 116.23 3i78 s VAL 138 Ca 0.24 -1.98 -0.28 0.00 -1.81 0.00 0.00 61.98 58.15 3i78 s VAL 138 Cb -0.16 -1.85 0.07 0.00 0.56 0.00 0.00 36.38 35.00 3i78 s VAL 138 CO 0.13 -0.44 0.68 0.00 -0.31 0.00 0.00 175.10 175.16 3i78 s ALA 139 N -2.40 -1.72 0.00 1.32 0.00 -1.26 -1.57 121.76 116.13 3i78 s ALA 139 Ca 0.17 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.17 3i78 s ALA 139 Cb -0.04 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.36 3i78 s ALA 139 CO 0.06 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.71 3i78 n GLY 140 N 0.41 -1.32 1.15 0.00 0.00 -1.09 -4.64 105.19 99.71 3i78 n GLY 140 Ca -0.17 -0.96 0.10 0.00 0.00 0.00 0.00 46.02 44.99 3i78 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3i78 n TRP 141 N 0.67 0.83 -0.33 1.61 8.01 -1.26 -2.19 117.44 124.78 3i78 n TRP 141 Ca 0.00 -0.49 -0.29 0.00 -1.31 0.00 0.00 57.50 55.40 3i78 n TRP 141 Cb 0.00 -0.01 0.28 0.00 -2.01 0.00 0.00 31.31 29.57 3i78 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3i78 n GLY 142 N 1.33 -3.79 3.77 6.99 0.00 -1.18 -0.05 105.19 112.25 3i78 n GLY 142 Ca 0.21 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 3i78 n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i78 s ALA 143 N -2.24 3.35 -0.25 4.61 0.00 -0.16 -1.98 121.76 125.09 3i78 s ALA 143 Ca 0.65 1.15 0.23 0.00 0.00 0.00 0.00 51.96 53.99 3i78 s ALA 143 Cb -0.11 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 3i78 s ALA 143 CO 0.54 -0.62 0.98 0.27 0.00 0.00 0.00 175.76 176.93 3i78 n ASN 144 N 0.50 0.72 -4.54 0.00 0.23 -1.26 -0.21 115.26 110.70 3i78 n ASN 144 Ca 0.02 0.24 -0.31 0.00 -0.53 0.00 0.00 54.58 54.01 3i78 n ASN 144 Cb 0.44 0.66 -0.11 0.00 -2.08 0.00 0.00 39.78 38.69 3i78 n ASN 144 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i78 s ARG 145 N -3.37 2.21 -0.09 -3.83 1.70 -1.26 -3.98 118.95 110.33 3i78 s ARG 145 Ca -0.01 -0.93 -0.29 0.00 -0.47 0.00 0.00 55.73 54.02 3i78 s ARG 145 Cb 0.11 -2.31 -0.05 0.00 -0.57 0.00 0.00 34.95 32.12 3i78 s ARG 145 CO 0.80 0.54 1.75 -2.00 -1.08 0.00 0.00 175.30 175.31 3i78 s GLU 146 N -1.75 3.99 0.00 3.89 2.12 -1.26 -1.26 118.70 124.44 3i78 s GLU 146 Ca 0.18 2.12 0.00 0.00 0.36 0.00 0.00 54.97 57.63 3i78 s GLU 146 Cb -0.11 -4.06 0.00 0.00 0.26 0.00 0.00 34.13 30.22 3i78 s GLU 146 CO 0.09 -1.08 0.00 0.41 -0.54 0.00 0.00 175.26 174.14 3i78 n GLY 148 N 4.47 0.19 3.83 -1.50 0.00 -1.26 -5.02 105.19 105.90 3i78 n GLY 148 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3i78 n GLY 148 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i78 s GLY 149 N -1.82 1.70 0.58 -0.02 0.00 -0.39 -5.06 107.32 102.32 3i78 s GLY 149 Ca 0.00 -1.04 -0.14 0.00 0.00 0.00 0.00 44.72 43.55 3i78 s GLY 149 CO 0.00 -0.27 1.02 -0.56 0.00 0.00 0.00 173.10 173.28 3i78 s SER 150 N -4.53 6.28 0.71 1.64 0.01 -1.26 -4.69 113.70 111.86 3i78 s SER 150 Ca 0.71 1.53 -0.16 0.00 1.31 0.00 0.00 55.95 59.35 3i78 s SER 150 Cb -0.07 -2.49 0.03 0.00 0.21 0.00 0.00 66.02 63.70 3i78 s SER 150 CO 0.54 -0.83 1.22 -1.10 0.41 0.00 0.00 173.24 173.48 3i78 s GLN 151 N -4.62 2.23 0.80 12.44 -1.52 -1.26 -3.88 119.66 123.85 3i78 s GLN 151 Ca 0.58 1.82 -0.07 0.00 -1.95 0.00 0.00 55.36 55.74 3i78 s GLN 151 Cb -0.11 -1.84 0.15 0.00 -0.22 0.00 0.00 33.01 30.99 3i78 s GLN 151 CO 0.43 -1.78 1.11 -0.65 -0.25 0.00 0.00 175.29 174.16 3i78 s GLN 152 N -3.79 1.36 -0.09 2.91 -1.52 0.93 -4.90 119.66 114.56 3i78 s GLN 152 Ca 0.76 -0.78 0.07 0.00 -1.95 0.00 0.00 55.36 53.46 3i78 s GLN 152 Cb -0.31 -2.14 -0.10 0.00 -0.22 0.00 0.00 33.01 30.23 3i78 s GLN 152 CO 0.44 -1.77 0.02 -2.13 -0.25 0.00 0.00 175.29 171.60 3i78 n ARG 153 N -3.17 2.37 -4.66 2.91 0.63 -1.26 -4.94 116.66 108.54 3i78 n ARG 153 Ca 0.14 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.74 3i78 n ARG 153 Cb 0.60 -1.22 -0.13 0.00 0.45 0.00 0.00 32.46 32.16 3i78 n ARG 153 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3i78 s TYR 154 N -2.21 2.88 0.06 -0.14 2.02 -1.26 -0.16 117.35 118.54 3i78 s TYR 154 Ca -0.05 -0.34 -0.34 0.00 -0.37 0.00 0.00 57.07 55.96 3i78 s TYR 154 Cb 0.03 -1.82 -0.13 0.00 -0.40 0.00 0.00 41.96 39.64 3i78 s TYR 154 CO 0.35 0.01 1.66 -0.11 -1.57 0.00 0.00 175.55 175.89 3i78 n LEU 155 N 3.08 3.06 -4.76 -1.29 7.94 0.10 -4.86 117.00 120.27 3i78 n LEU 155 Ca -0.18 1.05 -0.32 0.00 -1.11 0.00 0.00 56.01 55.45 3i78 n LEU 155 Cb 0.53 -1.38 -0.07 0.00 0.53 0.00 0.00 43.42 43.03 3i78 n LEU 155 CO 0.30 -0.28 -0.27 -0.76 -1.11 0.00 0.00 177.39 175.27 3i78 s LEU 156 N 1.99 3.79 0.14 -1.96 1.43 -0.93 -1.37 118.68 121.77 3i78 s LEU 156 Ca 0.84 0.06 0.11 0.00 -1.03 0.00 0.00 54.13 54.11 3i78 s LEU 156 Cb -0.72 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.16 3i78 s LEU 156 CO 0.44 0.24 -0.24 -1.59 0.23 0.00 0.00 176.35 175.43 3i78 s LYS 157 N -1.95 1.53 0.12 1.70 -2.85 0.55 -2.66 119.74 116.19 3i78 s LYS 157 Ca 0.25 -1.35 -0.21 0.00 -1.00 0.00 0.00 55.97 53.66 3i78 s LYS 157 Cb -0.12 -1.94 0.05 0.00 -2.06 0.00 0.00 37.83 33.76 3i78 s LYS 157 CO 0.16 0.44 0.52 0.00 0.10 0.00 0.00 175.35 176.58 3i78 s ALA 158 N -1.24 -1.33 -0.01 0.59 0.00 -0.61 -1.69 121.76 117.48 3i78 s ALA 158 Ca 0.17 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.49 3i78 s ALA 158 Cb -0.10 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 3i78 s ALA 158 CO 0.08 -0.67 0.00 -0.80 0.00 0.00 0.00 175.76 174.37 3i78 s ASN 159 N -2.59 5.12 -0.12 0.00 0.02 -1.26 -1.31 114.94 114.80 3i78 s ASN 159 Ca 0.00 -0.00 -0.07 0.00 -1.02 0.00 0.00 52.86 51.77 3i78 s ASN 159 Cb 0.00 -1.34 0.05 0.00 0.02 0.00 0.00 41.25 39.98 3i78 s ASN 159 CO -0.10 0.29 0.29 0.68 0.02 0.00 0.00 177.10 178.28 3i78 s VAL 160 N -1.07 -0.03 0.57 1.60 -7.23 -0.41 -4.91 120.40 108.92 3i78 s VAL 160 Ca 0.19 0.12 -0.16 0.00 -1.81 0.00 0.00 61.98 60.32 3i78 s VAL 160 Cb -0.11 -0.45 -0.05 0.00 0.56 0.00 0.00 36.38 36.33 3i78 s VAL 160 CO 0.10 0.05 1.04 -2.16 -0.31 0.00 0.00 175.10 173.82 3i78 s PRO 161 N 1.23 3.47 0.26 4.82 0.04 -1.26 -1.20 135.00 142.37 3i78 s PRO 161 Ca -0.09 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 61.81 3i78 s PRO 161 Cb -0.09 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 3i78 s PRO 161 CO -0.09 -0.68 1.45 0.12 0.04 0.00 0.00 177.00 177.83 3i78 s PHE 162 N -2.48 2.97 -0.13 0.56 5.36 0.20 -0.93 117.98 123.53 3i78 s PHE 162 Ca 0.63 1.03 -0.00 0.00 -0.96 0.00 0.00 56.93 57.63 3i78 s PHE 162 Cb -0.15 -3.85 -0.01 0.00 -0.34 0.00 0.00 43.02 38.67 3i78 s PHE 162 CO 0.35 -2.72 -0.13 0.08 -1.46 0.00 0.00 175.22 171.34 3i78 s VAL 163 N -0.13 3.04 0.85 3.12 1.01 0.15 -4.80 120.40 123.64 3i78 s VAL 163 Ca 0.59 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.79 3i78 s VAL 163 Cb -0.43 -2.28 0.11 0.00 0.00 0.00 0.00 36.38 33.79 3i78 s VAL 163 CO 0.45 0.52 1.17 -0.94 0.00 0.00 0.00 175.10 176.30 3i78 s SER 164 N 0.39 3.36 0.08 3.32 1.04 -1.26 -3.83 113.70 116.80 3i78 s SER 164 Ca -0.10 2.24 -0.31 0.00 0.48 0.00 0.00 55.95 58.25 3i78 s SER 164 Cb -0.16 -2.57 -0.15 0.00 0.10 0.00 0.00 66.02 63.24 3i78 s SER 164 CO 0.05 -2.81 1.49 -0.78 0.98 0.00 0.00 173.24 172.17 3i78 h ASP 165 N -1.35 -1.26 -0.53 7.02 3.58 -1.96 -1.28 116.42 120.63 3i78 h ASP 165 Ca -0.45 0.11 0.05 0.00 0.42 0.00 0.00 57.03 57.16 3i78 h ASP 165 Cb 1.28 0.43 -0.06 0.00 1.72 0.00 0.00 39.33 42.69 3i78 h ASP 165 CO 0.44 -0.57 -0.31 0.00 -2.88 0.00 0.00 179.24 175.92 3i78 n ALA 166 N -2.77 -0.34 -0.22 -0.78 0.00 -1.26 0.43 120.51 115.57 3i78 n ALA 166 Ca -0.10 0.45 0.02 0.00 0.00 0.00 0.00 53.44 53.81 3i78 n ALA 166 Cb 0.40 0.14 0.14 0.00 0.00 0.00 0.00 19.45 20.13 3i78 n ALA 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i78 h ALA 167 N -0.17 0.83 -0.16 0.00 0.00 -1.88 -1.86 119.26 116.01 3i78 h ALA 167 Ca 0.09 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3i78 h ALA 167 Cb 0.22 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3i78 h ALA 167 CO -0.50 -0.28 -0.05 0.00 0.00 0.00 0.00 179.25 178.43 3i78 h ARG 169 N 0.02 -0.19 -0.10 0.00 2.43 0.79 -1.80 114.38 115.53 3i78 h ARG 169 Ca 0.04 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3i78 h ARG 169 Cb 0.49 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3i78 h ARG 169 CO 0.02 -0.13 0.06 0.77 -1.51 0.00 0.00 179.97 179.19 3i78 h SER 170 N -0.20 0.12 0.36 -3.80 0.02 -1.51 -2.82 113.55 105.73 3i78 h SER 170 Ca 0.18 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3i78 h SER 170 Cb 0.55 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3i78 h SER 170 CO -0.74 0.13 0.00 -1.54 -1.14 0.00 0.00 176.83 173.54 3i78 n SER 171 N -4.99 0.00 -4.74 3.07 3.41 -0.73 -4.76 113.62 104.87 3i78 n SER 171 Ca -0.05 0.42 -0.34 0.00 -0.26 0.00 0.00 58.87 58.64 3i78 n SER 171 Cb 0.05 -0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 63.46 3i78 n SER 171 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3i78 s SER 172 N -2.91 5.51 0.00 4.04 0.15 -0.90 -4.78 113.70 114.80 3i78 s SER 172 Ca 0.07 0.16 0.23 0.00 0.70 0.00 0.00 55.95 57.10 3i78 s SER 172 Cb 0.08 -1.57 -0.00 0.00 -1.71 0.00 0.00 66.02 62.81 3i78 s SER 172 CO 0.20 0.33 1.09 -1.20 1.20 0.00 0.00 173.24 174.86 3i78 n SER 173 N 1.64 2.04 -4.69 5.45 7.64 -1.26 -4.86 113.62 119.57 3i78 n SER 173 Ca -0.16 -1.52 -0.26 0.00 1.01 0.00 0.00 58.87 57.95 3i78 n SER 173 Cb 0.53 0.47 -0.08 0.00 -1.01 0.00 0.00 64.21 64.12 3i78 n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3i78 s PHE 174 N -2.48 2.58 0.07 1.43 0.08 -1.26 -5.12 117.98 113.29 3i78 s PHE 174 Ca 0.19 -0.59 -0.12 0.00 0.12 0.00 0.00 56.93 56.53 3i78 s PHE 174 Cb 0.18 -1.86 -0.06 0.00 -0.57 0.00 0.00 43.02 40.71 3i78 s PHE 174 CO 0.57 0.29 0.43 0.96 -0.10 0.00 0.00 175.22 177.37 3i78 s ILE 175 N -2.62 5.04 -0.15 0.64 -5.25 -1.26 -5.05 121.20 112.55 3i78 s ILE 175 Ca 0.39 0.59 0.02 0.00 -0.99 0.00 0.00 60.65 60.66 3i78 s ILE 175 Cb 0.05 -3.67 0.01 0.00 2.95 0.00 0.00 42.46 41.79 3i78 s ILE 175 CO 0.21 0.34 -0.20 -0.22 -1.79 0.00 0.00 174.94 173.28 3i78 s LEU 176 N -1.74 2.22 -0.46 0.37 2.96 -1.26 -5.07 118.68 115.70 3i78 s LEU 176 Ca 0.32 -0.57 -0.18 0.00 -0.22 0.00 0.00 54.13 53.48 3i78 s LEU 176 Cb -0.15 -1.48 0.04 0.00 0.50 0.00 0.00 46.19 45.10 3i78 s LEU 176 CO 0.17 0.08 0.53 -0.69 -1.32 0.00 0.00 176.35 175.12 3i78 s VAL 177 N 0.84 4.99 0.00 1.68 1.01 -1.26 -5.02 120.40 122.64 3i78 s VAL 177 Ca -0.06 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3i78 s VAL 177 Cb -0.15 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.06 3i78 s VAL 177 CO -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 175.10 174.47 3i78 n ALA 177 N 5.86 0.00 0.89 5.51 0.00 -1.26 -1.55 120.51 129.96 3i78 n ALA 177 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.49 3i78 n ALA 177 Cb 0.46 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.13 3i78 n ALA 177 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i78 n ASN 178 N -0.04 0.54 0.11 0.00 3.02 -1.26 -3.92 115.26 113.71 3i78 n ASN 178 Ca 0.00 -0.17 -0.02 0.00 -0.03 0.00 0.00 54.58 54.36 3i78 n ASN 178 Cb 0.00 0.27 -0.01 0.00 -0.61 0.00 0.00 39.78 39.43 3i78 n ASN 178 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3i78 h GLU 179 N 0.00 0.00 -5.65 3.52 5.08 -1.70 -3.42 114.58 112.41 3i78 h GLU 179 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 3i78 h GLU 179 Cb 0.56 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.56 3i78 h GLU 179 CO 0.00 0.71 -0.82 -1.64 -1.00 0.00 0.00 179.01 176.27 3i78 s MET 180 N -2.92 1.16 -0.01 2.33 -1.94 -0.60 -0.12 119.30 117.20 3i78 s MET 180 Ca 0.02 -0.80 0.02 0.00 -1.71 0.00 0.00 55.69 53.22 3i78 s MET 180 Cb 0.09 -1.21 -0.00 0.00 2.01 0.00 0.00 34.83 35.72 3i78 s MET 180 CO 0.77 0.31 -0.07 -1.50 -0.01 0.00 0.00 175.02 174.53 3i78 s ILE 181 N -0.76 0.54 0.08 2.53 2.07 0.13 -4.74 121.20 121.04 3i78 s ILE 181 Ca 0.05 -0.28 0.03 0.00 -1.41 0.00 0.00 60.65 59.04 3i78 s ILE 181 Cb -0.08 -0.46 -0.04 0.00 0.13 0.00 0.00 42.46 42.01 3i78 s ILE 181 CO 0.01 0.16 0.07 0.00 -1.91 0.00 0.00 174.94 173.28 3i78 s ALA 183 N -1.39 -1.65 0.00 0.00 0.00 -0.31 -0.68 121.76 117.74 3i78 s ALA 183 Ca 0.29 1.62 0.00 0.00 0.00 0.00 0.00 51.96 53.87 3i78 s ALA 183 Cb -0.12 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.32 3i78 s ALA 183 CO 0.22 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.06 3i78 n GLY 184 N 2.05 0.57 3.60 0.00 0.00 -0.11 -2.70 105.19 108.61 3i78 n GLY 184 Ca -0.16 -2.14 -0.24 0.00 0.00 0.00 0.00 46.02 43.48 3i78 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i78 s TYR 185 N -0.72 2.54 0.02 1.61 2.02 -1.26 -4.39 117.35 117.18 3i78 s TYR 185 Ca 0.00 -0.33 -0.25 0.00 -0.37 0.00 0.00 57.07 56.12 3i78 s TYR 185 Cb 0.00 -1.26 -0.14 0.00 -0.40 0.00 0.00 41.96 40.16 3i78 s TYR 185 CO 0.00 0.59 1.14 0.22 -1.57 0.00 0.00 175.55 175.93 3i78 h ASP 185 N 1.94 -0.77 0.00 2.29 1.82 -1.90 -3.43 116.42 116.38 3i78 h ASP 185 Ca -0.43 0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.20 3i78 h ASP 185 Cb 1.25 0.20 -0.01 0.00 0.68 0.00 0.00 39.33 41.45 3i78 h ASP 185 CO 0.63 -0.45 -1.16 0.35 -1.61 0.00 0.00 179.24 177.00 3i78 n THR 185 N -4.99 0.16 -1.55 2.25 -2.24 -1.26 -1.46 114.28 105.19 3i78 n THR 185 Ca -0.11 -0.09 -0.48 0.00 -2.27 0.00 0.00 64.05 61.10 3i78 n THR 185 Cb 0.36 -0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 67.72 3i78 n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3i78 n LYS 186 N -2.25 0.94 -0.93 -0.78 4.81 -1.26 -4.73 118.16 113.95 3i78 n LYS 186 Ca -0.04 0.33 -0.25 0.00 -0.87 0.00 0.00 58.31 57.48 3i78 n LYS 186 Cb 0.57 -1.71 -0.04 0.00 0.02 0.00 0.00 35.03 33.87 3i78 n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3i78 n GLN 187 N 1.34 2.53 -3.48 1.64 3.00 -1.26 -4.77 117.38 116.37 3i78 n GLN 187 Ca 0.14 -1.58 -0.20 0.00 -0.01 0.00 0.00 57.00 55.35 3i78 n GLN 187 Cb 0.25 -2.46 -0.12 0.00 0.00 0.00 0.00 30.24 27.91 3i78 n GLN 187 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 3i78 s GLU 188 N 2.65 0.23 0.09 -1.09 2.12 -1.25 -3.46 118.70 117.99 3i78 s GLU 188 Ca 0.52 -0.07 -0.26 0.00 0.36 0.00 0.00 54.97 55.52 3i78 s GLU 188 Cb 0.15 -1.05 0.08 0.00 0.26 0.00 0.00 34.13 33.57 3i78 s GLU 188 CO -0.04 -0.85 0.73 0.34 -0.54 0.00 0.00 175.26 174.90 3i78 s ASP 189 N 2.28 -0.47 0.62 -1.70 -1.08 -0.96 -4.53 116.67 110.84 3i78 s ASP 189 Ca 0.08 -0.01 -0.10 0.00 -0.52 0.00 0.00 52.55 52.00 3i78 s ASP 189 Cb -0.15 0.51 -0.02 0.00 -1.46 0.00 0.00 42.92 41.80 3i78 s ASP 189 CO -0.24 -0.82 1.00 0.42 0.52 0.00 0.00 175.17 176.05 3i78 s THR 190 N -3.47 4.27 0.26 1.71 -4.23 -1.26 0.27 115.64 113.19 3i78 s THR 190 Ca 0.03 0.57 -0.10 0.00 -1.18 0.00 0.00 61.69 61.01 3i78 s THR 190 Cb -0.01 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 70.11 3i78 s THR 190 CO -0.11 -0.88 0.45 0.00 -0.54 0.00 0.00 174.62 173.54 3i78 n GLN 192 N -0.40 0.01 -0.04 0.00 0.00 -1.26 -1.00 117.38 114.68 3i78 n GLN 192 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.99 3i78 n GLN 192 Cb 0.62 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.36 3i78 n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i78 n GLY 193 N 3.51 0.76 0.00 1.69 0.00 -1.26 -0.99 105.19 108.90 3i78 n GLY 193 Ca 0.29 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.37 3i78 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i78 n ASP 194 N 0.00 1.27 -4.52 1.61 8.00 -0.17 -3.10 116.55 119.65 3i78 n ASP 194 Ca 0.00 -0.40 -0.51 0.00 0.71 0.00 0.00 54.79 54.59 3i78 n ASP 194 Cb 0.00 1.32 -0.05 0.00 -0.02 0.00 0.00 41.12 42.37 3i78 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3i78 n SER 195 N -1.65 0.36 0.00 -2.24 7.64 -1.26 -1.35 113.62 115.13 3i78 n SER 195 Ca -0.00 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.02 3i78 n SER 195 Cb 0.28 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 3i78 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i78 n GLY 196 N 1.85 3.04 3.69 0.23 0.00 -0.65 0.88 105.19 114.23 3i78 n GLY 196 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3i78 n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i78 n GLY 197 N -0.47 0.28 3.74 -0.02 0.00 -0.45 -3.50 105.19 104.76 3i78 n GLY 197 Ca 0.00 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 3i78 n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i78 s PRO 198 N -3.03 4.70 -0.16 1.61 0.04 -1.26 -1.25 135.00 135.64 3i78 s PRO 198 Ca 0.78 1.56 -0.17 0.00 0.04 0.00 0.00 61.00 63.20 3i78 s PRO 198 Cb -0.40 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 30.78 3i78 s PRO 198 CO 0.45 0.24 0.45 1.41 0.04 0.00 0.00 177.00 179.59 3i78 s MET 199 N -0.45 4.25 0.26 4.56 1.75 0.27 -4.28 119.30 125.66 3i78 s MET 199 Ca 0.46 0.35 -0.06 0.00 -1.25 0.00 0.00 55.69 55.20 3i78 s MET 199 Cb -0.26 -3.49 -0.02 0.00 2.84 0.00 0.00 34.83 33.90 3i78 s MET 199 CO 0.32 0.04 0.36 -0.59 -0.65 0.00 0.00 175.02 174.50 3i78 s PHE 200 N 1.04 0.84 0.13 4.11 -0.71 -0.54 -0.02 117.98 122.83 3i78 s PHE 200 Ca 0.23 -1.11 -0.26 0.00 -1.04 0.00 0.00 56.93 54.76 3i78 s PHE 200 Cb -0.15 -0.15 0.07 0.00 -1.21 0.00 0.00 43.02 41.58 3i78 s PHE 200 CO 0.09 -0.91 0.93 -0.98 -1.34 0.00 0.00 175.22 173.01 3i78 s ARG 201 N -3.82 1.15 0.44 1.99 1.70 -0.58 0.12 118.95 119.95 3i78 s ARG 201 Ca 0.30 -0.60 -0.22 0.00 -0.47 0.00 0.00 55.73 54.75 3i78 s ARG 201 Cb 0.02 0.41 -0.09 0.00 -0.57 0.00 0.00 34.95 34.73 3i78 s ARG 201 CO 0.13 -0.52 1.04 0.15 -1.08 0.00 0.00 175.30 175.02 3i78 s LYS 202 N -3.29 4.00 0.17 3.89 -0.14 -1.26 0.40 119.74 123.50 3i78 s LYS 202 Ca 0.10 1.43 0.03 0.00 -1.36 0.00 0.00 55.97 56.17 3i78 s LYS 202 Cb -0.01 -2.32 0.03 0.00 -1.68 0.00 0.00 37.83 33.85 3i78 s LYS 202 CO -0.00 -0.27 0.23 -0.40 -0.76 0.00 0.00 175.35 174.14 3i78 n ASP 203 N -0.52 0.68 0.28 2.83 5.68 0.21 -4.79 116.55 120.93 3i78 n ASP 203 Ca 0.07 -1.46 0.17 0.00 -0.50 0.00 0.00 54.79 53.07 3i78 n ASP 203 Cb 0.51 -0.12 0.71 0.00 -1.14 0.00 0.00 41.12 41.09 3i78 n ASP 203 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3i78 h ASN 204 N 0.04 0.00 -0.93 -1.12 -0.26 -1.98 -3.02 115.58 108.31 3i78 h ASN 204 Ca -0.08 0.00 -0.54 0.00 -0.56 0.00 0.00 56.30 55.11 3i78 h ASN 204 Cb 0.37 0.00 -0.28 0.00 -1.06 0.00 0.00 38.32 37.35 3i78 h ASN 204 CO 0.12 0.02 0.70 0.00 -1.06 0.00 0.00 177.43 177.20 3i78 n ALA 204 N -2.10 5.71 -4.31 -0.83 0.00 -1.26 -4.92 120.51 112.81 3i78 n ALA 204 Ca 0.00 -2.92 -0.33 0.00 0.00 0.00 0.00 53.44 50.19 3i78 n ALA 204 Cb 0.29 -1.54 -0.08 0.00 0.00 0.00 0.00 19.45 18.13 3i78 n ALA 204 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i78 n ASP 205 N -0.93 -0.26 -4.24 0.00 2.03 -1.14 -5.00 116.55 107.01 3i78 n ASP 205 Ca 0.57 -1.21 -0.25 0.00 0.52 0.00 0.00 54.79 54.43 3i78 n ASP 205 Cb 1.23 -1.93 -0.14 0.00 -0.72 0.00 0.00 41.12 39.56 3i78 n ASP 205 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3i78 s GLU 206 N -7.18 1.31 0.23 -0.67 0.41 -1.26 -4.90 118.70 106.64 3i78 s GLU 206 Ca 0.26 -0.93 -0.30 0.00 -0.41 0.00 0.00 54.97 53.58 3i78 s GLU 206 Cb -0.15 -1.42 -0.10 0.00 -1.78 0.00 0.00 34.13 30.68 3i78 s GLU 206 CO 0.98 0.36 1.48 -1.58 -0.49 0.00 0.00 175.26 176.02 3i78 s TRP 207 N -0.83 3.00 0.10 1.61 0.52 -1.26 0.64 118.94 122.72 3i78 s TRP 207 Ca 0.07 0.91 0.09 0.00 0.02 0.00 0.00 56.10 57.19 3i78 s TRP 207 Cb -0.09 -3.87 -0.04 0.00 -1.15 0.00 0.00 33.47 28.33 3i78 s TRP 207 CO 0.02 -2.93 -0.24 0.54 0.02 0.00 0.00 176.95 174.36 3i78 s VAL 208 N 0.25 1.98 -0.21 4.03 0.11 0.16 -4.11 120.40 122.61 3i78 s VAL 208 Ca 0.62 -1.58 -0.15 0.00 -2.93 0.00 0.00 61.98 57.94 3i78 s VAL 208 Cb -0.43 -1.76 -0.04 0.00 -1.53 0.00 0.00 36.38 32.62 3i78 s VAL 208 CO 0.41 0.08 0.38 -1.58 -3.33 0.00 0.00 175.10 171.06 3i78 s GLN 209 N -1.81 4.15 -0.10 1.54 0.74 0.07 -1.53 119.66 122.72 3i78 s GLN 209 Ca 0.10 0.15 0.09 0.00 0.05 0.00 0.00 55.36 55.75 3i78 s GLN 209 Cb -0.10 -3.55 -0.12 0.00 1.10 0.00 0.00 33.01 30.34 3i78 s GLN 209 CO 0.04 -0.06 0.03 1.33 -0.55 0.00 0.00 175.29 176.08 3i78 n VAL 210 N 4.41 0.70 -4.24 1.34 0.24 0.97 -1.85 118.33 119.90 3i78 n VAL 210 Ca -0.09 -0.42 -0.17 0.00 -2.04 0.00 0.00 64.34 61.62 3i78 n VAL 210 Cb 0.51 -0.74 -0.11 0.00 -1.47 0.00 0.00 33.84 32.03 3i78 n VAL 210 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3i78 s GLY 211 N -4.31 1.07 -0.12 7.63 0.00 0.73 -0.90 107.32 111.42 3i78 s GLY 211 Ca -0.06 -1.33 -0.02 0.00 0.00 0.00 0.00 44.72 43.31 3i78 s GLY 211 CO 0.41 -1.40 -0.06 -0.42 0.00 0.00 0.00 173.10 171.63 3i78 s ILE 212 N -2.42 3.75 -0.02 0.90 1.01 -0.72 0.94 121.20 124.64 3i78 s ILE 212 Ca 0.10 -0.43 -0.36 0.00 0.00 0.00 0.00 60.65 59.97 3i78 s ILE 212 Cb -0.03 -2.60 -0.14 0.00 0.01 0.00 0.00 42.46 39.70 3i78 s ILE 212 CO 0.02 0.54 1.66 0.52 0.00 0.00 0.00 174.94 177.68 3i78 n VAL 213 N 3.04 0.24 0.03 2.92 0.31 -0.38 0.14 118.33 124.63 3i78 n VAL 213 Ca -0.18 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3i78 n VAL 213 Cb 0.53 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 3i78 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3i78 n SER 214 N 4.62 0.60 -3.65 4.52 2.88 -0.93 -1.64 113.62 120.02 3i78 n SER 214 Ca 0.21 0.09 -0.07 0.00 -1.33 0.00 0.00 58.87 57.77 3i78 n SER 214 Cb 0.24 -0.17 -0.01 0.00 -0.75 0.00 0.00 64.21 63.52 3i78 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3i78 s TRP 215 N -1.57 -0.11 0.14 0.66 1.48 -1.10 -4.87 118.94 113.58 3i78 s TRP 215 Ca 0.00 -0.37 -0.24 0.00 -1.06 0.00 0.00 56.10 54.43 3i78 s TRP 215 Cb 0.00 0.72 0.07 0.00 -1.16 0.00 0.00 33.47 33.10 3i78 s TRP 215 CO 0.00 -1.23 0.75 0.20 -4.06 0.00 0.00 176.95 172.61 3i78 s GLY 216 N -2.97 -0.41 -0.50 3.67 0.00 -1.26 -0.28 107.32 105.57 3i78 s GLY 216 Ca 0.12 0.39 -0.29 0.00 0.00 0.00 0.00 44.72 44.95 3i78 s GLY 216 CO 0.07 0.13 1.28 -0.54 0.00 0.00 0.00 173.10 174.03 3i78 s GLU 217 N -3.56 3.56 1.89 2.90 2.02 -1.25 -4.86 118.70 119.38 3i78 s GLU 217 Ca 0.06 0.57 0.00 0.00 0.02 0.00 0.00 54.97 55.62 3i78 s GLU 217 Cb -0.02 -4.00 0.00 0.00 0.10 0.00 0.00 34.13 30.20 3i78 s GLU 217 CO -0.05 -1.61 0.00 0.41 0.02 0.00 0.00 175.26 174.03 3i78 n GLY 219 N 5.04 -0.27 3.17 -1.39 0.00 -1.26 -4.48 105.19 106.00 3i78 n GLY 219 Ca 0.13 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 3i78 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i78 n ALA 221 N 3.87 -0.97 -1.77 0.00 0.00 -1.26 -4.69 120.51 115.69 3i78 n ALA 221 Ca -0.20 0.19 -0.39 0.00 0.00 0.00 0.00 53.44 53.04 3i78 n ALA 221 Cb 0.52 -3.16 -0.02 0.00 0.00 0.00 0.00 19.45 16.79 3i78 n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i78 s ARG 222 N -5.72 4.13 -0.46 0.00 0.52 -1.26 -4.79 118.95 111.37 3i78 s ARG 222 Ca 0.30 1.93 -0.41 0.00 -0.52 0.00 0.00 55.73 57.02 3i78 s ARG 222 Cb -0.14 -2.78 -0.18 0.00 0.52 0.00 0.00 34.95 32.37 3i78 s ARG 222 CO 0.37 -0.28 1.89 1.63 0.02 0.00 0.00 175.30 178.92 3i78 n LYS 223 N 0.27 0.00 -0.97 3.54 5.02 -1.26 -1.21 118.16 123.55 3i78 n LYS 223 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3i78 n LYS 223 Cb 0.45 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 3i78 n LYS 223 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i78 n GLY 223 N 6.33 0.45 3.31 0.72 0.00 -0.54 -4.99 105.19 110.47 3i78 n GLY 223 Ca 0.47 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.20 3i78 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i78 s LYS 224 N -0.45 1.76 0.37 1.61 -0.14 -0.35 -4.83 119.74 117.71 3i78 s LYS 224 Ca 0.00 -1.01 0.04 0.00 -1.36 0.00 0.00 55.97 53.64 3i78 s LYS 224 Cb 0.00 -1.86 0.04 0.00 -1.68 0.00 0.00 37.83 34.33 3i78 s LYS 224 CO 0.00 0.49 0.29 0.66 -0.76 0.00 0.00 175.35 176.03 3i78 n TYR 225 N 1.99 -1.02 -4.44 3.18 4.01 -1.26 -4.22 117.16 115.40 3i78 n TYR 225 Ca -0.17 -1.54 -0.34 0.00 -0.16 0.00 0.00 57.90 55.69 3i78 n TYR 225 Cb 0.52 -0.30 -0.12 0.00 -0.31 0.00 0.00 39.34 39.13 3i78 n TYR 225 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3i78 s GLY 226 N -3.36 1.73 -0.10 2.72 0.00 -1.10 -3.95 107.32 103.25 3i78 s GLY 226 Ca 0.22 -0.83 -0.04 0.00 0.00 0.00 0.00 44.72 44.07 3i78 s GLY 226 CO 0.14 -0.23 0.07 0.14 0.00 0.00 0.00 173.10 173.23 3i78 s VAL 227 N 0.02 4.93 -0.01 1.40 1.01 0.61 -1.16 120.40 127.21 3i78 s VAL 227 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3i78 s VAL 227 Cb -0.13 -3.12 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 3i78 s VAL 227 CO 0.03 0.61 -0.06 -0.31 0.00 0.00 0.00 175.10 175.36 3i78 s TYR 228 N -0.97 0.55 0.10 5.22 1.51 -0.23 -2.18 117.35 121.36 3i78 s TYR 228 Ca 0.14 -0.11 -0.31 0.00 -1.01 0.00 0.00 57.07 55.79 3i78 s TYR 228 Cb -0.12 -0.37 -0.09 0.00 -0.11 0.00 0.00 41.96 41.27 3i78 s TYR 228 CO 0.03 -0.02 1.72 0.99 -1.11 0.00 0.00 175.55 177.16 3i78 s THR 229 N -0.05 2.79 -1.23 -0.71 2.01 0.12 -0.70 115.64 117.87 3i78 s THR 229 Ca 0.01 0.30 -0.19 0.00 0.31 0.00 0.00 61.69 62.12 3i78 s THR 229 Cb -0.03 -3.19 0.07 0.00 0.01 0.00 0.00 72.50 69.35 3i78 s THR 229 CO -0.00 0.00 1.67 -0.70 -0.69 0.00 0.00 174.62 174.89 3i78 s GLU 230 N 2.57 3.90 0.17 4.92 2.12 0.82 -1.76 118.70 131.44 3i78 s GLU 230 Ca 0.76 -1.80 -0.05 0.00 0.36 0.00 0.00 54.97 54.24 3i78 s GLU 230 Cb -0.43 -5.49 0.28 0.00 0.26 0.00 0.00 34.13 28.76 3i78 s GLU 230 CO 0.34 -2.24 0.98 0.28 -0.54 0.00 0.00 175.26 174.08 3i78 n VAL 231 N 6.49 -0.27 -0.31 3.70 0.31 -0.08 -1.06 118.33 127.11 3i78 n VAL 231 Ca 0.45 1.44 0.09 0.00 -0.01 0.00 0.00 64.34 66.31 3i78 n VAL 231 Cb 0.47 -1.99 0.25 0.00 -0.91 0.00 0.00 33.84 31.66 3i78 n VAL 231 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3i78 h SER 232 N 0.00 0.61 -0.04 4.52 4.64 -1.74 0.57 113.55 122.11 3i78 h SER 232 Ca 0.30 0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.65 3i78 h SER 232 Cb 0.46 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 3i78 h SER 232 CO -0.65 0.24 -0.12 0.74 -0.87 0.00 0.00 176.83 176.17 3i78 h THR 233 N 0.67 1.20 -0.00 2.95 2.02 -1.35 -3.22 112.91 115.19 3i78 h THR 233 Ca 0.50 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3i78 h THR 233 Cb 0.71 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 3i78 h THR 233 CO -0.37 0.28 -0.76 0.49 0.37 0.00 0.00 175.52 175.53 3i78 n PHE 234 N -4.25 0.00 -0.28 3.16 3.72 0.17 -4.59 117.46 115.39 3i78 n PHE 234 Ca -0.00 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 3i78 n PHE 234 Cb 0.29 0.00 0.25 0.00 -0.94 0.00 0.00 39.48 39.07 3i78 n PHE 234 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i78 h ALA 235 N 2.62 1.16 0.17 4.37 0.00 0.01 0.70 119.26 128.30 3i78 h ALA 235 Ca 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i78 h ALA 235 Cb 0.45 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3i78 h ALA 235 CO 0.00 -0.39 -0.22 1.03 0.00 0.00 0.00 179.25 179.67 3i78 h SER 236 N 0.26 -0.62 -0.14 0.00 0.87 -1.81 0.37 113.55 112.48 3i78 h SER 236 Ca 0.50 0.05 0.04 0.00 -1.23 0.00 0.00 61.79 61.15 3i78 h SER 236 Cb 0.93 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 3i78 h SER 236 CO -0.58 -0.27 0.20 0.00 -0.53 0.00 0.00 176.83 175.64 3i78 h ALA 237 N -1.31 1.63 0.00 6.23 0.00 -0.93 -1.04 119.26 123.83 3i78 h ALA 237 Ca -0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3i78 h ALA 237 Cb 0.36 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3i78 h ALA 237 CO -0.05 -0.27 -0.18 0.82 0.00 0.00 0.00 179.25 179.56 3i78 h ILE 238 N 0.00 1.05 -0.88 0.00 2.04 0.59 -3.16 117.51 117.15 3i78 h ILE 238 Ca 0.06 -1.85 0.20 0.00 1.00 0.00 0.00 64.86 64.28 3i78 h ILE 238 Cb 0.47 2.05 -0.12 0.00 -0.74 0.00 0.00 36.82 38.48 3i78 h ILE 238 CO -0.00 0.36 0.40 0.00 0.00 0.00 0.00 178.15 178.91 3i78 h ALA 239 N -0.41 1.39 0.00 1.87 0.00 0.98 0.32 119.26 123.40 3i78 h ALA 239 Ca -0.04 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3i78 h ALA 239 Cb 0.71 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3i78 h ALA 239 CO -0.02 -0.29 -0.12 0.77 0.00 0.00 0.00 179.25 179.59 3i78 h SER 240 N 0.45 0.00 0.46 0.00 0.02 -1.45 -3.15 113.55 109.87 3i78 h SER 240 Ca 0.54 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 61.18 3i78 h SER 240 Cb 0.97 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 3i78 h SER 240 CO -0.49 0.12 -1.59 0.00 -1.14 0.00 0.00 176.83 173.72 3i78 h ALA 241 N 1.88 0.41 -0.47 3.77 0.00 -0.34 -3.35 119.26 121.16 3i78 h ALA 241 Ca -0.00 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.70 3i78 h ALA 241 Cb 0.52 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3i78 h ALA 241 CO 0.02 1.27 0.31 0.00 0.00 0.00 0.00 179.25 180.84 3i78 h ALA 242 N 0.59 0.59 0.00 0.00 0.00 -1.40 -2.63 119.26 116.41 3i78 h ALA 242 Ca -0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3i78 h ALA 242 Cb 2.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3i78 h ALA 242 CO 0.13 0.05 0.26 0.00 0.00 0.00 0.00 179.25 179.69 3i78 h ARG 243 N 0.63 0.00 0.00 0.00 3.08 -1.68 0.52 114.38 116.93 3i78 h ARG 243 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3i78 h ARG 243 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3i78 h ARG 243 CO -0.04 0.00 -1.03 0.25 -1.07 0.00 0.00 179.97 178.09 3i78 n THR 244 N -2.74 0.42 1.78 2.04 -2.24 -1.00 -5.15 114.28 107.38 3i78 n THR 244 Ca -0.02 -0.43 0.15 0.00 -2.27 0.00 0.00 64.05 61.49 3i78 n THR 244 Cb 0.30 -0.15 0.76 0.00 -2.10 0.00 0.00 70.33 69.15 3i78 n THR 244 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68