#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i77 s VAL 17 N 0.00 5.35 -0.83 2.52 1.01 0.69 -3.87 120.40 125.27 3i77 s VAL 17 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 3i77 s VAL 17 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3i77 s VAL 17 CO 0.00 0.62 0.00 0.61 0.00 0.00 0.00 175.10 176.33 3i77 n GLY 18 N 2.03 0.70 0.00 4.51 0.00 -1.24 -2.36 105.19 108.83 3i77 n GLY 18 Ca -0.20 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3i77 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i77 n GLY 19 N -1.66 3.51 3.19 -0.02 0.00 -1.26 -4.90 105.19 104.05 3i77 n GLY 19 Ca -0.09 -2.14 -0.11 0.00 0.00 0.00 0.00 46.02 43.68 3i77 n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i77 s THR 20 N 0.31 0.05 0.18 2.61 -4.23 -0.30 -4.91 115.64 109.35 3i77 s THR 20 Ca 0.00 -1.93 -0.32 0.00 -1.18 0.00 0.00 61.69 58.26 3i77 s THR 20 Cb 0.00 -2.27 -0.11 0.00 1.34 0.00 0.00 72.50 71.46 3i77 s THR 20 CO 0.00 -0.21 1.64 -0.13 -0.54 0.00 0.00 174.62 175.38 3i77 s ARG 21 N -4.10 4.17 0.36 3.99 0.52 -1.26 -0.19 118.95 122.44 3i77 s ARG 21 Ca 0.31 2.47 -0.26 0.00 -0.52 0.00 0.00 55.73 57.73 3i77 s ARG 21 Cb 0.07 -3.15 -0.09 0.00 0.52 0.00 0.00 34.95 32.30 3i77 s ARG 21 CO 0.07 -0.68 1.08 0.00 0.02 0.00 0.00 175.30 175.79 3i77 s ALA 22 N 1.27 3.20 0.40 2.13 0.00 -0.55 -4.80 121.76 123.40 3i77 s ALA 22 Ca 0.73 0.80 -0.23 0.00 0.00 0.00 0.00 51.96 53.25 3i77 s ALA 22 Cb -0.46 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.26 3i77 s ALA 22 CO 0.32 -0.23 0.98 0.00 0.00 0.00 0.00 175.76 176.82 3i77 s ALA 23 N -1.46 3.08 0.02 0.00 0.00 -1.26 -4.84 121.76 117.29 3i77 s ALA 23 Ca 0.53 0.52 -0.36 0.00 0.00 0.00 0.00 51.96 52.65 3i77 s ALA 23 Cb -0.26 -3.20 -0.15 0.00 0.00 0.00 0.00 23.12 19.51 3i77 s ALA 23 CO 0.33 0.02 1.55 0.94 0.00 0.00 0.00 175.76 178.60 3i77 n GLN 24 N -0.19 1.54 -0.04 0.00 -0.06 -1.26 -0.89 117.38 116.47 3i77 n GLN 24 Ca 0.05 0.56 0.00 0.00 -2.00 0.00 0.00 57.00 55.61 3i77 n GLN 24 Cb 0.52 -2.27 0.00 0.00 -4.06 0.00 0.00 30.24 24.43 3i77 n GLN 24 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3i77 n GLY 25 N 3.30 2.05 0.18 1.69 0.00 -1.26 -4.93 105.19 106.22 3i77 n GLY 25 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 3i77 n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i77 h GLU 26 N 2.64 0.55 -2.15 1.61 4.81 -1.40 -3.35 114.58 117.29 3i77 h GLU 26 Ca 0.00 -0.14 -0.58 0.00 -0.13 0.00 0.00 59.36 58.51 3i77 h GLU 26 Cb 0.00 -0.07 -0.41 0.00 0.63 0.00 0.00 28.75 28.90 3i77 h GLU 26 CO 0.00 0.62 -0.83 1.19 -0.73 0.00 0.00 179.01 179.26 3i77 n PHE 27 N -4.61 1.73 1.16 0.92 0.99 -1.26 -4.96 117.46 111.43 3i77 n PHE 27 Ca -0.02 -3.88 0.13 0.00 -0.00 0.00 0.00 57.45 53.69 3i77 n PHE 27 Cb 0.20 -0.44 0.64 0.00 -1.00 0.00 0.00 39.48 38.88 3i77 n PHE 27 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3i77 n PRO 28 N 1.21 0.29 0.00 -1.08 -0.04 -1.26 -2.19 135.00 131.94 3i77 n PRO 28 Ca 0.26 0.04 0.14 0.00 -0.04 0.00 0.00 63.50 63.90 3i77 n PRO 28 Cb 0.46 -1.50 0.70 0.00 -0.04 0.00 0.00 33.50 33.12 3i77 n PRO 28 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3i77 n PHE 29 N -1.33 0.00 -2.37 0.54 1.16 -1.24 -4.54 117.46 109.68 3i77 n PHE 29 Ca 0.11 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.28 3i77 n PHE 29 Cb 0.23 -0.34 -0.03 0.00 -1.61 0.00 0.00 39.48 37.72 3i77 n PHE 29 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 3i77 s MET 30 N -2.68 4.49 0.08 3.97 -1.94 -0.93 -0.55 119.30 121.74 3i77 s MET 30 Ca 0.24 1.88 0.07 0.00 -1.71 0.00 0.00 55.69 56.17 3i77 s MET 30 Cb 0.19 -3.23 -0.03 0.00 2.01 0.00 0.00 34.83 33.77 3i77 s MET 30 CO 0.47 -0.09 -0.17 0.14 -0.01 0.00 0.00 175.02 175.35 3i77 s VAL 31 N -0.10 1.40 -0.25 -6.03 -7.23 -0.49 -4.50 120.40 103.21 3i77 s VAL 31 Ca 0.53 -1.40 -0.14 0.00 -1.81 0.00 0.00 61.98 59.16 3i77 s VAL 31 Cb -0.33 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 3i77 s VAL 31 CO 0.37 -0.13 0.31 -0.60 -0.31 0.00 0.00 175.10 174.74 3i77 s ARG 32 N -1.78 4.05 -0.16 4.82 6.06 -0.19 -1.86 118.95 129.89 3i77 s ARG 32 Ca 0.02 -0.04 -0.07 0.00 -2.50 0.00 0.00 55.73 53.15 3i77 s ARG 32 Cb -0.10 -3.61 -0.04 0.00 0.06 0.00 0.00 34.95 31.26 3i77 s ARG 32 CO 0.03 -0.14 0.08 -0.51 -2.50 0.00 0.00 175.30 172.26 3i77 s LEU 33 N 1.66 3.95 -0.21 -0.88 1.43 -0.01 -0.49 118.68 124.14 3i77 s LEU 33 Ca 0.13 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 3i77 s LEU 33 Cb -0.15 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.12 3i77 s LEU 33 CO 0.09 0.24 -0.17 -0.63 0.23 0.00 0.00 176.35 176.11 3i77 s ILE 34 N -0.01 2.10 -0.73 -0.59 1.01 -0.27 -1.29 121.20 121.43 3i77 s ILE 34 Ca 0.07 -1.18 -0.20 0.00 0.00 0.00 0.00 60.65 59.34 3i77 s ILE 34 Cb -0.12 -2.01 0.10 0.00 0.01 0.00 0.00 42.46 40.45 3i77 s ILE 34 CO 0.01 0.34 0.94 0.21 0.00 0.00 0.00 174.94 176.44 3i77 s ASN 35 N 1.23 6.34 0.46 3.58 3.04 0.11 -0.70 114.94 129.00 3i77 s ASN 35 Ca 0.00 -1.49 0.14 0.00 0.04 0.00 0.00 52.86 51.55 3i77 s ASN 35 Cb -0.15 -2.37 1.05 0.00 -1.54 0.00 0.00 41.25 38.23 3i77 s ASN 35 CO -0.10 -1.21 2.04 -0.33 -3.04 0.00 0.00 177.10 174.46 3i77 h GLU 36 N 9.18 0.08 -0.25 0.43 5.08 -1.49 0.27 114.58 127.87 3i77 h GLU 36 Ca -0.14 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 3i77 h GLU 36 Cb 1.06 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 3i77 h GLU 36 CO 1.12 0.16 -0.21 1.49 -1.00 0.00 0.00 179.01 180.58 3i77 h GLU 37 N 0.07 0.59 -0.30 2.33 4.81 -1.91 -3.27 114.58 116.90 3i77 h GLU 37 Ca 0.02 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3i77 h GLU 37 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3i77 h GLU 37 CO 0.01 0.88 0.00 0.27 -0.73 0.00 0.00 179.01 179.44 3i77 n ASN 38 N -4.38 3.08 -1.98 1.04 2.04 -1.15 -4.98 115.26 108.93 3i77 n ASN 38 Ca -0.04 -2.24 -0.17 0.00 -0.44 0.00 0.00 54.58 51.69 3i77 n ASN 38 Cb 0.41 -0.29 -0.01 0.00 -2.53 0.00 0.00 39.78 37.37 3i77 n ASN 38 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 3i77 n GLU 39 N 0.21 -1.48 -3.27 -3.83 1.02 -0.00 -4.99 120.64 108.30 3i77 n GLU 39 Ca 0.13 0.83 -0.39 0.00 -0.02 0.00 0.00 57.16 57.71 3i77 n GLU 39 Cb 0.52 -5.28 -0.06 0.00 -0.02 0.00 0.00 31.44 26.60 3i77 n GLU 39 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3i77 s GLY 40 N -2.25 2.61 -0.14 0.62 0.00 -0.67 -4.92 107.32 102.58 3i77 s GLY 40 Ca 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 44.72 44.74 3i77 s GLY 40 CO 0.01 0.58 -0.16 -1.36 0.00 0.00 0.00 173.10 172.17 3i77 s PHE 41 N -0.62 2.76 0.24 1.90 0.08 -1.26 -0.71 117.98 120.38 3i77 s PHE 41 Ca 0.29 -0.88 -0.09 0.00 0.12 0.00 0.00 56.93 56.37 3i77 s PHE 41 Cb -0.18 -1.84 -0.01 0.00 -0.57 0.00 0.00 43.02 40.41 3i77 s PHE 41 CO 0.17 -0.36 0.39 0.00 -0.10 0.00 0.00 175.22 175.33 3i77 s GLY 43 N -3.07 2.45 0.09 0.00 0.00 0.57 -0.83 107.32 106.52 3i77 s GLY 43 Ca 0.27 -1.26 -0.26 0.00 0.00 0.00 0.00 44.72 43.46 3i77 s GLY 43 CO 0.11 -1.96 1.13 -0.32 0.00 0.00 0.00 173.10 172.06 3i77 s GLY 44 N -4.17 -0.18 0.07 0.20 0.00 -0.78 -3.26 107.32 99.19 3i77 s GLY 44 Ca 0.32 0.17 0.07 0.00 0.00 0.00 0.00 44.72 45.27 3i77 s GLY 44 CO 0.19 1.45 -0.18 0.00 0.00 0.00 0.00 173.10 174.56 3i77 s ALA 45 N -2.55 1.50 -0.64 3.20 0.00 -0.52 -1.40 121.76 121.35 3i77 s ALA 45 Ca 0.18 -1.07 -0.27 0.00 0.00 0.00 0.00 51.96 50.80 3i77 s ALA 45 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.92 3i77 s ALA 45 CO 0.01 0.28 1.58 -0.51 0.00 0.00 0.00 175.76 177.12 3i77 s LEU 46 N -1.60 3.27 0.01 0.00 1.43 0.29 -0.88 118.68 121.20 3i77 s LEU 46 Ca 0.03 0.08 -0.20 0.00 -1.03 0.00 0.00 54.13 53.02 3i77 s LEU 46 Cb -0.09 -2.66 -0.20 0.00 0.03 0.00 0.00 46.19 43.27 3i77 s LEU 46 CO 0.03 -2.06 1.17 0.22 0.23 0.00 0.00 176.35 175.94 3i77 h TYR 47 N 12.53 0.54 -2.73 0.29 5.03 -1.30 0.14 116.97 131.48 3i77 h TYR 47 Ca -0.27 -0.25 -0.48 0.00 2.58 0.00 0.00 58.73 60.31 3i77 h TYR 47 Cb 1.11 -0.08 -0.14 0.00 1.55 0.00 0.00 36.73 39.17 3i77 h TYR 47 CO 1.07 1.02 -0.64 0.00 -1.32 0.00 0.00 178.16 178.29 3i77 s ALA 48 N -3.54 2.36 0.55 1.82 0.00 -0.78 -4.62 121.76 117.54 3i77 s ALA 48 Ca -0.14 -1.99 0.36 0.00 0.00 0.00 0.00 51.96 50.20 3i77 s ALA 48 Cb 0.04 0.42 1.98 0.00 0.00 0.00 0.00 23.12 25.57 3i77 s ALA 48 CO 0.80 -0.20 2.25 1.96 0.00 0.00 0.00 175.76 180.57 3i77 h GLN 49 N 2.19 0.00 -0.00 0.00 4.20 -1.87 -2.31 115.11 117.32 3i77 h GLN 49 Ca -0.40 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.31 3i77 h GLN 49 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 3i77 h GLN 49 CO 0.69 0.02 0.00 -0.40 -0.67 0.00 0.00 178.83 178.47 3i77 n ASP 50 N -3.42 2.34 -3.74 1.46 5.75 -1.26 -0.19 116.55 117.48 3i77 n ASP 50 Ca -0.02 -3.05 -0.23 0.00 -0.01 0.00 0.00 54.79 51.47 3i77 n ASP 50 Cb 0.12 -0.42 -0.18 0.00 -1.03 0.00 0.00 41.12 39.62 3i77 n ASP 50 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3i77 s ILE 51 N -2.81 0.28 -0.19 2.12 1.01 -0.87 -0.69 121.20 120.04 3i77 s ILE 51 Ca 0.31 0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.95 3i77 s ILE 51 Cb 0.27 -0.51 -0.05 0.00 0.01 0.00 0.00 42.46 42.18 3i77 s ILE 51 CO 0.03 0.18 0.15 -0.69 0.00 0.00 0.00 174.94 174.61 3i77 s VAL 52 N 2.01 5.39 -0.19 2.92 1.01 0.19 -0.95 120.40 130.77 3i77 s VAL 52 Ca 0.04 0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.10 3i77 s VAL 52 Cb -0.13 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3i77 s VAL 52 CO -0.05 0.43 0.41 -0.22 0.00 0.00 0.00 175.10 175.67 3i77 s LEU 53 N 0.37 4.18 0.00 3.92 2.96 -0.06 -0.44 118.68 129.61 3i77 s LEU 53 Ca 0.09 0.56 0.00 0.00 -0.22 0.00 0.00 54.13 54.57 3i77 s LEU 53 Cb -0.11 -2.54 0.00 0.00 0.50 0.00 0.00 46.19 44.03 3i77 s LEU 53 CO -0.01 -0.06 0.00 1.07 -1.32 0.00 0.00 176.35 176.03 3i77 n THR 54 N 4.22 0.00 -3.18 3.68 5.66 -0.13 -1.43 114.28 123.09 3i77 n THR 54 Ca -0.08 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.57 3i77 n THR 54 Cb 0.51 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.23 3i77 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i77 s ALA 55 N -1.84 3.44 0.38 1.79 0.00 -1.26 -1.50 121.76 122.79 3i77 s ALA 55 Ca 0.00 0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.10 3i77 s ALA 55 Cb 0.00 -2.72 0.85 0.00 0.00 0.00 0.00 23.12 21.25 3i77 s ALA 55 CO 0.00 0.37 1.94 0.00 0.00 0.00 0.00 175.76 178.07 3i77 h ALA 56 N 3.21 1.84 0.00 0.00 0.00 -1.64 -2.14 119.26 120.53 3i77 h ALA 56 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3i77 h ALA 56 Cb 1.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3i77 h ALA 56 CO 0.66 0.00 0.00 -2.39 0.00 0.00 0.00 179.25 177.52 3i77 n HIS 57 N -4.49 0.00 0.86 0.00 1.44 -1.26 -1.96 115.22 109.80 3i77 n HIS 57 Ca 0.12 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.97 3i77 n HIS 57 Cb 0.34 -0.33 0.54 0.00 0.12 0.00 0.00 29.99 30.66 3i77 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3i77 s VAL 59 N -3.03 1.07 -2.09 0.00 -7.23 -0.83 -4.90 120.40 103.39 3i77 s VAL 59 Ca 0.13 -2.04 0.23 0.00 -1.81 0.00 0.00 61.98 58.49 3i77 s VAL 59 Cb 0.17 -2.32 0.06 0.00 0.56 0.00 0.00 36.38 34.85 3i77 s VAL 59 CO 0.53 -0.35 1.19 -1.54 -0.31 0.00 0.00 175.10 174.63 3i77 n SER 60 N -0.41 1.95 0.00 4.85 3.41 -1.26 -4.97 113.62 117.19 3i77 n SER 60 Ca -0.05 -1.46 0.00 0.00 -0.26 0.00 0.00 58.87 57.10 3i77 n SER 60 Cb 0.64 0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 3i77 n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i77 n GLY 60 N 1.40 -1.30 3.94 5.00 0.00 -1.26 -5.15 105.19 107.82 3i77 n GLY 60 Ca 0.10 -1.12 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 3i77 n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i77 s SER 60 N -4.00 6.28 0.00 1.61 0.01 -1.26 -4.42 113.70 111.92 3i77 s SER 60 Ca 0.00 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.38 3i77 s SER 60 Cb 0.00 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 64.36 3i77 s SER 60 CO 0.00 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.28 3i77 n GLY 60 N -0.80 0.85 3.73 3.44 0.00 0.00 -4.96 105.19 107.46 3i77 n GLY 60 Ca -0.08 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 3i77 n GLY 60 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i77 s ASN 60 N -1.87 6.51 -0.28 1.61 0.01 -1.26 -0.87 114.94 118.78 3i77 s ASN 60 Ca 0.00 2.77 -0.07 0.00 -0.71 0.00 0.00 52.86 54.85 3i77 s ASN 60 Cb 0.00 -2.61 0.14 0.00 0.41 0.00 0.00 41.25 39.19 3i77 s ASN 60 CO 0.00 -0.84 0.59 0.21 -1.51 0.00 0.00 177.10 175.54 3i77 s ASN 61 N 0.76 -0.99 -0.20 -1.22 3.84 -0.68 -4.87 114.94 111.58 3i77 s ASN 61 Ca 0.66 1.23 0.15 0.00 0.21 0.00 0.00 52.86 55.11 3i77 s ASN 61 Cb -0.45 2.05 0.49 0.00 -0.55 0.00 0.00 41.25 42.80 3i77 s ASN 61 CO 0.39 -0.24 1.40 0.35 -2.79 0.00 0.00 177.10 176.22 3i77 n THR 62 N 5.43 2.31 1.05 -5.21 -2.24 -1.26 -2.79 114.28 111.56 3i77 n THR 62 Ca -0.08 -2.15 0.11 0.00 -2.27 0.00 0.00 64.05 59.67 3i77 n THR 62 Cb 0.50 -0.27 0.07 0.00 -2.10 0.00 0.00 70.33 68.52 3i77 n THR 62 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3i77 n SER 63 N -0.79 1.93 -4.71 3.42 7.64 -1.26 -4.67 113.62 115.19 3i77 n SER 63 Ca 0.24 -1.45 -0.35 0.00 1.01 0.00 0.00 58.87 58.32 3i77 n SER 63 Cb 0.90 0.39 -0.09 0.00 -1.01 0.00 0.00 64.21 64.40 3i77 n SER 63 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3i77 s ILE 64 N -2.45 4.45 -0.08 0.44 1.01 -1.26 -1.33 121.20 121.98 3i77 s ILE 64 Ca 0.20 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.65 3i77 s ILE 64 Cb 0.18 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 3i77 s ILE 64 CO 0.55 0.58 -0.19 -0.89 0.00 0.00 0.00 174.94 174.98 3i77 s THR 65 N -0.93 2.60 -0.18 2.92 2.01 0.13 -0.53 115.64 121.65 3i77 s THR 65 Ca 0.14 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 3i77 s THR 65 Cb -0.11 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.37 3i77 s THR 65 CO 0.04 0.56 -0.08 0.00 -0.69 0.00 0.00 174.62 174.45 3i77 s ALA 66 N -0.16 2.74 -0.28 7.40 0.00 0.68 -1.11 121.76 131.03 3i77 s ALA 66 Ca -0.02 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 50.84 3i77 s ALA 66 Cb -0.14 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 21.50 3i77 s ALA 66 CO 0.04 -0.13 0.05 0.99 0.00 0.00 0.00 175.76 176.70 3i77 s THR 67 N 0.98 3.75 0.49 0.00 2.01 0.36 -0.79 115.64 122.44 3i77 s THR 67 Ca -0.01 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.28 3i77 s THR 67 Cb -0.15 -2.91 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 3i77 s THR 67 CO -0.00 0.13 0.04 -0.83 -0.69 0.00 0.00 174.62 173.26 3i77 s GLY 68 N 1.47 2.98 0.00 4.40 0.00 0.54 -1.02 107.32 115.69 3i77 s GLY 68 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.29 3i77 s GLY 68 CO 0.01 -2.12 0.00 0.61 0.00 0.00 0.00 173.10 171.60 3i77 n GLY 69 N -1.20 2.60 2.99 0.20 0.00 -1.26 -1.39 105.19 107.13 3i77 n GLY 69 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 3i77 n GLY 69 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i77 s VAL 70 N -2.22 0.01 -0.07 1.61 -7.23 -1.26 -4.85 120.40 106.39 3i77 s VAL 70 Ca 0.00 -0.07 0.14 0.00 -1.81 0.00 0.00 61.98 60.23 3i77 s VAL 70 Cb 0.00 -0.18 0.02 0.00 0.56 0.00 0.00 36.38 36.78 3i77 s VAL 70 CO 0.00 -0.04 1.45 -0.37 -0.31 0.00 0.00 175.10 175.83 3i77 h VAL 71 N 4.92 1.03 -3.20 1.32 -1.51 -1.93 -3.42 116.25 113.46 3i77 h VAL 71 Ca -0.25 -2.36 -0.68 0.00 -1.23 0.00 0.00 66.70 62.18 3i77 h VAL 71 Cb 1.20 2.45 -0.17 0.00 -2.13 0.00 0.00 31.29 32.63 3i77 h VAL 71 CO 0.44 0.57 0.12 -0.62 -1.23 0.00 0.00 177.57 176.85 3i77 s ASP 72 N -6.51 6.23 0.56 4.19 -1.08 -1.26 -0.84 116.67 117.96 3i77 s ASP 72 Ca 0.03 -0.91 0.24 0.00 -0.52 0.00 0.00 52.55 51.40 3i77 s ASP 72 Cb 0.08 -2.31 1.58 0.00 -1.46 0.00 0.00 42.92 40.81 3i77 s ASP 72 CO 0.75 -0.96 2.19 -0.07 0.52 0.00 0.00 175.17 177.60 3i77 h LEU 73 N 9.91 0.00 -0.74 -1.34 3.38 -1.43 -2.41 115.31 122.67 3i77 h LEU 73 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3i77 h LEU 73 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3i77 h LEU 73 CO 1.00 0.02 0.00 0.00 0.09 0.00 0.00 178.44 179.55 3i77 n GLN 75 N -4.07 1.49 -1.87 1.13 6.02 -1.26 -4.95 117.38 113.88 3i77 n GLN 75 Ca -0.03 -0.73 -0.41 0.00 -0.01 0.00 0.00 57.00 55.81 3i77 n GLN 75 Cb 0.11 -1.40 -0.02 0.00 1.02 0.00 0.00 30.24 29.95 3i77 n GLN 75 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3i77 s SER 76 N -1.71 6.48 0.00 1.08 0.15 -0.91 -4.94 113.70 113.85 3i77 s SER 76 Ca 0.34 2.85 0.23 0.00 0.70 0.00 0.00 55.95 60.08 3i77 s SER 76 Cb 0.18 -2.63 1.33 0.00 -1.71 0.00 0.00 66.02 63.18 3i77 s SER 76 CO 0.28 -0.83 1.77 -1.54 1.20 0.00 0.00 173.24 174.12 3i77 n SER 77 N 2.08 0.00 -0.00 5.45 3.41 -1.26 -2.75 113.62 120.55 3i77 n SER 77 Ca 0.07 -0.51 0.14 0.00 -0.26 0.00 0.00 58.87 58.31 3i77 n SER 77 Cb 0.39 -0.10 0.62 0.00 -0.26 0.00 0.00 64.21 64.86 3i77 n SER 77 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i77 n SER 79 N -1.10 0.01 -4.67 4.04 7.64 -1.26 -4.93 113.62 113.36 3i77 n SER 79 Ca 0.15 0.46 -0.41 0.00 1.01 0.00 0.00 58.87 60.08 3i77 n SER 79 Cb 0.11 -0.47 0.01 0.00 -1.01 0.00 0.00 64.21 62.85 3i77 n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i77 n ALA 80 N -1.49 0.91 -3.43 -0.43 0.00 -1.11 -4.86 120.51 110.10 3i77 n ALA 80 Ca 0.07 0.26 -0.36 0.00 0.00 0.00 0.00 53.44 53.41 3i77 n ALA 80 Cb 0.34 -2.20 -0.13 0.00 0.00 0.00 0.00 19.45 17.45 3i77 n ALA 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i77 s VAL 81 N -1.22 3.46 -0.20 0.00 1.01 -0.49 -4.98 120.40 117.99 3i77 s VAL 81 Ca 0.62 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 3i77 s VAL 81 Cb -0.53 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.11 3i77 s VAL 81 CO 0.58 0.19 -0.08 -0.75 0.00 0.00 0.00 175.10 175.05 3i77 s LYS 82 N 1.43 3.32 0.06 2.72 2.20 -1.26 -0.34 119.74 127.88 3i77 s LYS 82 Ca 0.02 -0.66 0.07 0.00 -0.36 0.00 0.00 55.97 55.04 3i77 s LYS 82 Cb -0.16 -2.91 -0.03 0.00 -1.51 0.00 0.00 37.83 33.22 3i77 s LYS 82 CO -0.01 -0.16 -0.19 0.08 -0.36 0.00 0.00 175.35 174.71 3i77 s VAL 83 N 1.33 1.52 0.05 4.02 1.01 0.03 -4.96 120.40 123.40 3i77 s VAL 83 Ca 0.04 -1.26 -0.08 0.00 0.00 0.00 0.00 61.98 60.69 3i77 s VAL 83 Cb -0.14 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 3i77 s VAL 83 CO -0.04 0.06 0.33 -0.60 0.00 0.00 0.00 175.10 174.85 3i77 s ARG 84 N -1.40 3.66 0.85 2.72 3.52 -1.26 -0.23 118.95 126.81 3i77 s ARG 84 Ca 0.05 0.02 -0.10 0.00 -0.13 0.00 0.00 55.73 55.57 3i77 s ARG 84 Cb -0.09 -3.03 0.11 0.00 -1.56 0.00 0.00 34.95 30.38 3i77 s ARG 84 CO 0.02 0.60 1.12 -1.54 -0.81 0.00 0.00 175.30 174.69 3i77 s SER 85 N -1.79 3.59 0.00 -2.12 1.04 0.31 -0.64 113.70 114.09 3i77 s SER 85 Ca 0.31 2.03 0.00 0.00 0.48 0.00 0.00 55.95 58.77 3i77 s SER 85 Cb -0.13 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.44 3i77 s SER 85 CO 0.18 -2.65 0.00 0.35 0.98 0.00 0.00 173.24 172.10 3i77 n THR 86 N -3.93 0.00 -3.60 2.02 -2.24 0.74 -4.20 114.28 103.06 3i77 n THR 86 Ca 0.11 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.73 3i77 n THR 86 Cb 0.52 -0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.68 3i77 n THR 86 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3i77 s LYS 87 N -1.71 0.89 -0.03 -0.78 2.20 -1.12 -1.69 119.74 117.50 3i77 s LYS 87 Ca 0.00 0.56 0.05 0.00 -0.36 0.00 0.00 55.97 56.22 3i77 s LYS 87 Cb 0.00 0.43 -0.01 0.00 -1.51 0.00 0.00 37.83 36.74 3i77 s LYS 87 CO 0.00 -0.20 -0.18 0.08 -0.36 0.00 0.00 175.35 174.69 3i77 s VAL 88 N -0.43 1.46 -0.24 4.02 1.01 -0.05 -0.40 120.40 125.76 3i77 s VAL 88 Ca -0.06 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.18 3i77 s VAL 88 Cb -0.03 -1.23 0.06 0.00 0.00 0.00 0.00 36.38 35.18 3i77 s VAL 88 CO 0.05 0.42 -0.07 -0.22 0.00 0.00 0.00 175.10 175.27 3i77 s LEU 89 N -0.16 2.87 -0.08 3.92 0.20 0.45 -0.82 118.68 125.07 3i77 s LEU 89 Ca 0.01 -1.25 -0.12 0.00 0.69 0.00 0.00 54.13 53.45 3i77 s LEU 89 Cb -0.10 -1.31 -0.05 0.00 -0.43 0.00 0.00 46.19 44.30 3i77 s LEU 89 CO 0.01 -0.22 0.30 -1.58 -0.29 0.00 0.00 176.35 174.57 3i77 s GLN 90 N 1.29 3.86 -0.23 1.98 0.74 -1.26 0.19 119.66 126.23 3i77 s GLN 90 Ca -0.07 0.17 -0.40 0.00 0.05 0.00 0.00 55.36 55.12 3i77 s GLN 90 Cb -0.19 -3.26 -0.18 0.00 1.10 0.00 0.00 33.01 30.47 3i77 s GLN 90 CO -0.06 0.60 1.23 0.00 -0.55 0.00 0.00 175.29 176.51 3i77 n ALA 91 N 2.31 -2.29 -1.72 1.58 0.00 -0.36 -4.83 120.51 115.20 3i77 n ALA 91 Ca -0.15 0.50 -0.43 0.00 0.00 0.00 0.00 53.44 53.36 3i77 n ALA 91 Cb 0.53 -1.68 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 3i77 n ALA 91 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i77 n PRO 92 N 2.54 2.55 -0.09 0.00 -0.02 -1.26 -2.00 135.00 136.72 3i77 n PRO 92 Ca 0.23 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.63 3i77 n PRO 92 Cb 0.01 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 30.81 3i77 n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i77 n GLY 93 N 2.54 1.78 3.63 -1.23 0.00 -1.26 -5.01 105.19 105.65 3i77 n GLY 93 Ca 0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.67 3i77 n GLY 93 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i77 n PHE 94 N -2.00 1.79 0.00 1.61 7.35 -0.85 -4.89 117.46 120.47 3i77 n PHE 94 Ca 0.00 0.55 0.00 0.00 -0.76 0.00 0.00 57.45 57.24 3i77 n PHE 94 Cb 0.00 -2.37 0.00 0.00 0.35 0.00 0.00 39.48 37.46 3i77 n PHE 94 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3i77 n THR 95 N 1.48 0.00 -3.79 -2.13 -2.24 -1.26 -5.08 114.28 101.26 3i77 n THR 95 Ca 0.12 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.78 3i77 n THR 95 Cb 0.30 -1.05 -0.08 0.00 -2.10 0.00 0.00 70.33 67.40 3i77 n THR 95 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3i77 s LYS 96 N -1.98 0.73 0.45 -0.78 -2.85 -1.26 -5.06 119.74 108.99 3i77 s LYS 96 Ca 0.00 -0.48 0.16 0.00 -1.00 0.00 0.00 55.97 54.65 3i77 s LYS 96 Cb 0.00 0.31 1.03 0.00 -2.06 0.00 0.00 37.83 37.12 3i77 s LYS 96 CO 0.00 -0.22 1.99 1.05 0.10 0.00 0.00 175.35 178.27 3i77 h GLU 97 N 3.46 0.00 0.00 1.78 9.09 -1.95 0.10 114.58 127.06 3i77 h GLU 97 Ca -0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.10 3i77 h GLU 97 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 3i77 h GLU 97 CO 0.45 0.18 0.00 0.25 0.05 0.00 0.00 179.01 179.95 3i77 n THR 98 N -4.25 1.02 0.35 -1.06 -2.24 -1.26 -1.99 114.28 104.84 3i77 n THR 98 Ca -0.02 0.29 0.11 0.00 -2.27 0.00 0.00 64.05 62.16 3i77 n THR 98 Cb 0.25 -1.15 0.19 0.00 -2.10 0.00 0.00 70.33 67.52 3i77 n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3i77 n TYR 99 N -1.83 0.42 -0.21 4.78 4.01 0.34 -4.73 117.16 119.94 3i77 n TYR 99 Ca 0.02 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 3i77 n TYR 99 Cb 0.17 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 3i77 n TYR 99 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i77 n GLY 100 N 1.39 -1.76 3.08 2.72 0.00 -0.84 -4.95 105.19 104.84 3i77 n GLY 100 Ca 0.18 -2.01 -0.21 0.00 0.00 0.00 0.00 46.02 43.98 3i77 n GLY 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i77 n LYS 101 N 0.00 -3.61 -2.23 1.61 5.02 -1.26 -4.56 118.16 113.14 3i77 n LYS 101 Ca 0.00 0.64 -0.42 0.00 -2.02 0.00 0.00 58.31 56.50 3i77 n LYS 101 Cb 0.00 -5.37 0.00 0.00 -0.02 0.00 0.00 35.03 29.64 3i77 n LYS 101 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3i77 n ASP 102 N -2.27 4.93 -3.93 4.39 2.03 -1.26 -4.61 116.55 115.82 3i77 n ASP 102 Ca -0.07 -3.07 -0.10 0.00 0.52 0.00 0.00 54.79 52.07 3i77 n ASP 102 Cb 0.58 -1.50 -0.10 0.00 -0.72 0.00 0.00 41.12 39.38 3i77 n ASP 102 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 3i77 s TRP 103 N 0.81 0.18 0.01 -0.67 1.48 -1.26 -3.75 118.94 115.74 3i77 s TRP 103 Ca 0.41 -0.44 -0.18 0.00 -1.06 0.00 0.00 56.10 54.83 3i77 s TRP 103 Cb 0.11 -0.14 0.03 0.00 -1.16 0.00 0.00 33.47 32.31 3i77 s TRP 103 CO -0.01 -0.32 0.40 0.00 -4.06 0.00 0.00 176.95 172.96 3i77 s ALA 104 N -2.15 -0.98 -0.08 2.67 0.00 -0.56 -1.22 121.76 119.43 3i77 s ALA 104 Ca -0.09 0.39 -0.00 0.00 0.00 0.00 0.00 51.96 52.26 3i77 s ALA 104 Cb -0.04 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 3i77 s ALA 104 CO -0.03 -0.38 -0.05 -0.51 0.00 0.00 0.00 175.76 174.80 3i77 s LEU 105 N -1.70 3.27 -0.21 0.00 1.43 0.13 -0.96 118.68 120.64 3i77 s LEU 105 Ca -0.09 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 3i77 s LEU 105 Cb -0.02 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.49 3i77 s LEU 105 CO 0.01 0.34 -0.13 -0.63 0.23 0.00 0.00 176.35 176.17 3i77 s ILE 106 N -0.69 2.44 -0.06 -0.59 1.01 0.41 -0.41 121.20 123.32 3i77 s ILE 106 Ca 0.11 -1.00 -0.29 0.00 0.00 0.00 0.00 60.65 59.47 3i77 s ILE 106 Cb -0.11 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 3i77 s ILE 106 CO 0.02 0.36 0.95 -0.75 0.00 0.00 0.00 174.94 175.52 3i77 s LYS 107 N 1.30 4.48 0.15 2.79 2.47 0.46 -0.64 119.74 130.75 3i77 s LYS 107 Ca 0.02 1.32 -0.05 0.00 -1.56 0.00 0.00 55.97 55.70 3i77 s LYS 107 Cb -0.15 -3.50 -0.06 0.00 -1.46 0.00 0.00 37.83 32.67 3i77 s LYS 107 CO -0.09 -0.15 0.40 -0.51 0.16 0.00 0.00 175.35 175.17 3i77 s LEU 108 N 1.41 4.25 0.49 5.43 1.43 0.13 -0.18 118.68 131.65 3i77 s LEU 108 Ca 0.48 0.64 0.16 0.00 -1.03 0.00 0.00 54.13 54.37 3i77 s LEU 108 Cb -0.19 -3.36 1.18 0.00 0.03 0.00 0.00 46.19 43.84 3i77 s LEU 108 CO 0.22 0.04 2.09 0.00 0.23 0.00 0.00 176.35 178.93 3i77 h ALA 109 N 2.79 1.86 -2.56 4.21 0.00 -1.12 -3.44 119.26 120.99 3i77 h ALA 109 Ca -0.46 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 3i77 h ALA 109 Cb 1.17 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.77 3i77 h ALA 109 CO 0.72 0.09 -0.45 -0.65 0.00 0.00 0.00 179.25 178.96 3i77 s GLN 110 N -4.87 0.67 0.57 0.00 -1.52 -1.26 -5.08 119.66 108.15 3i77 s GLN 110 Ca -0.05 -0.74 -0.17 0.00 -1.95 0.00 0.00 55.36 52.45 3i77 s GLN 110 Cb 0.16 0.27 -0.05 0.00 -0.22 0.00 0.00 33.01 33.17 3i77 s GLN 110 CO 0.68 -0.18 1.07 -1.25 -0.25 0.00 0.00 175.29 175.35 3i77 s PRO 111 N -2.80 3.38 -0.24 2.91 0.04 -1.26 -4.75 135.00 132.28 3i77 s PRO 111 Ca -0.03 1.34 -0.12 0.00 0.04 0.00 0.00 61.00 62.23 3i77 s PRO 111 Cb 0.00 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 3i77 s PRO 111 CO -0.05 -0.77 0.22 0.42 0.04 0.00 0.00 177.00 176.85 3i77 s ILE 112 N -2.20 5.32 -1.35 0.56 1.01 0.73 -4.94 121.20 120.32 3i77 s ILE 112 Ca 0.66 0.29 -0.07 0.00 0.00 0.00 0.00 60.65 61.54 3i77 s ILE 112 Cb -0.18 -3.55 0.11 0.00 0.01 0.00 0.00 42.46 38.84 3i77 s ILE 112 CO 0.31 0.31 2.34 -3.20 0.00 0.00 0.00 174.94 174.70 3i77 n ASN 113 N 4.46 7.45 -4.30 3.58 5.15 -1.26 -4.71 115.26 125.62 3i77 n ASN 113 Ca -0.13 -3.07 -0.16 0.00 -0.60 0.00 0.00 54.58 50.61 3i77 n ASN 113 Cb 0.52 -1.41 -0.10 0.00 -0.53 0.00 0.00 39.78 38.26 3i77 n ASN 113 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3i77 s GLN 118 N -0.42 1.25 0.65 1.20 -1.52 -1.26 -5.03 119.66 114.53 3i77 s GLN 118 Ca 0.53 -1.61 -0.18 0.00 -1.95 0.00 0.00 55.36 52.15 3i77 s GLN 118 Cb 0.17 -0.57 -0.01 0.00 -0.22 0.00 0.00 33.01 32.37 3i77 s GLN 118 CO -0.07 -0.07 1.20 -2.30 -0.25 0.00 0.00 175.29 173.81 3i77 n PRO 119 N -0.35 1.00 -2.64 2.91 -0.02 -1.26 -4.83 135.00 129.81 3i77 n PRO 119 Ca -0.06 0.40 -0.22 0.00 -2.02 0.00 0.00 63.50 61.60 3i77 n PRO 119 Cb 0.63 -2.44 0.06 0.00 -0.02 0.00 0.00 33.50 31.74 3i77 n PRO 119 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3i77 s THR 120 N -1.45 2.47 -0.19 3.45 -4.23 -1.26 -3.70 115.64 110.73 3i77 s THR 120 Ca 0.81 -0.66 -0.00 0.00 -1.18 0.00 0.00 61.69 60.66 3i77 s THR 120 Cb -0.38 -2.82 0.01 0.00 1.34 0.00 0.00 72.50 70.65 3i77 s THR 120 CO 0.42 0.00 -0.15 -0.22 -0.54 0.00 0.00 174.62 174.13 3i77 s LEU 121 N -4.88 2.39 0.39 4.79 2.96 0.49 -4.84 118.68 119.99 3i77 s LEU 121 Ca 0.60 -0.55 -0.25 0.00 -0.22 0.00 0.00 54.13 53.71 3i77 s LEU 121 Cb -0.09 -1.56 -0.09 0.00 0.50 0.00 0.00 46.19 44.96 3i77 s LEU 121 CO 0.40 0.01 1.10 -0.75 -1.32 0.00 0.00 176.35 175.78 3i77 s LYS 122 N 1.28 4.14 0.06 1.98 2.20 -1.26 -4.60 119.74 123.54 3i77 s LYS 122 Ca 0.04 1.65 0.03 0.00 -0.36 0.00 0.00 55.97 57.32 3i77 s LYS 122 Cb -0.14 -2.62 -0.04 0.00 -1.51 0.00 0.00 37.83 33.52 3i77 s LYS 122 CO -0.08 -0.19 0.05 0.96 -0.36 0.00 0.00 175.35 175.73 3i77 s ILE 123 N -1.54 4.41 0.22 5.43 -4.36 -1.26 -0.68 121.20 123.42 3i77 s ILE 123 Ca 0.57 -0.74 -0.30 0.00 -0.26 0.00 0.00 60.65 59.92 3i77 s ILE 123 Cb -0.26 -3.09 -0.09 0.00 1.25 0.00 0.00 42.46 40.27 3i77 s ILE 123 CO 0.32 0.19 1.37 0.00 0.24 0.00 0.00 174.94 177.06 3i77 s ALA 124 N -1.31 3.57 -0.41 2.27 0.00 -0.37 -4.81 121.76 120.71 3i77 s ALA 124 Ca 0.27 1.21 0.04 0.00 0.00 0.00 0.00 51.96 53.47 3i77 s ALA 124 Cb -0.12 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.48 3i77 s ALA 124 CO 0.19 -0.63 0.44 0.25 0.00 0.00 0.00 175.76 176.00 3i77 n THR 125 N 2.52 0.00 -4.45 0.00 -2.24 -1.26 -3.67 114.28 105.17 3i77 n THR 125 Ca 0.06 -0.46 -0.22 0.00 -2.27 0.00 0.00 64.05 61.17 3i77 n THR 125 Cb 0.42 1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 69.60 3i77 n THR 125 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i77 s THR 128 N -0.84 0.88 -2.22 4.28 -4.23 -1.26 -4.92 115.64 107.33 3i77 s THR 128 Ca 0.04 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.75 3i77 s THR 128 Cb 0.04 -2.62 0.47 0.00 1.34 0.00 0.00 72.50 71.72 3i77 s THR 128 CO 0.11 0.00 1.58 0.35 -0.54 0.00 0.00 174.62 176.11 3i77 n THR 129 N -0.72 0.17 -0.09 3.99 -2.24 -1.26 -4.39 114.28 109.74 3i77 n THR 129 Ca -0.03 -0.28 0.25 0.00 -2.27 0.00 0.00 64.05 61.72 3i77 n THR 129 Cb 0.66 0.25 0.71 0.00 -2.10 0.00 0.00 70.33 69.85 3i77 n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i77 h ALA 130 N 3.96 2.67 -0.39 6.98 0.00 -2.01 -0.92 119.26 129.55 3i77 h ALA 130 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i77 h ALA 130 Cb 0.39 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3i77 h ALA 130 CO 0.00 -0.90 0.00 0.66 0.00 0.00 0.00 179.25 179.01 3i77 n TYR 131 N -4.28 0.63 -1.03 0.00 4.01 -1.26 -4.73 117.16 110.50 3i77 n TYR 131 Ca 0.14 -0.56 -0.13 0.00 -0.16 0.00 0.00 57.90 57.20 3i77 n TYR 131 Cb 0.80 -0.08 -0.15 0.00 -0.31 0.00 0.00 39.34 39.60 3i77 n TYR 131 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3i77 n ASN 132 N 0.51 5.35 -3.79 7.72 3.02 -0.35 -4.79 115.26 122.93 3i77 n ASN 132 Ca 0.15 -2.54 -0.05 0.00 -0.03 0.00 0.00 54.58 52.11 3i77 n ASN 132 Cb 0.53 -1.39 -0.02 0.00 -0.61 0.00 0.00 39.78 38.29 3i77 n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i77 s GLN 133 N 0.73 1.44 1.42 3.52 -2.07 -1.26 -5.05 119.66 118.39 3i77 s GLN 133 Ca 0.64 -0.80 0.00 0.00 -1.82 0.00 0.00 55.36 53.38 3i77 s GLN 133 Cb 0.32 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.72 3i77 s GLN 133 CO -0.02 -0.66 0.00 0.41 -1.32 0.00 0.00 175.29 173.70 3i77 n GLY 134 N -0.47 -0.54 3.44 2.60 0.00 -1.26 -4.84 105.19 104.12 3i77 n GLY 134 Ca -0.05 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.11 3i77 n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i77 s THR 135 N 0.00 4.16 0.44 2.61 2.01 -1.26 -0.93 115.64 122.67 3i77 s THR 135 Ca 0.00 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 61.79 3i77 s THR 135 Cb 0.00 -2.92 0.00 0.00 0.01 0.00 0.00 72.50 69.59 3i77 s THR 135 CO 0.00 0.37 0.64 -0.36 -0.69 0.00 0.00 174.62 174.58 3i77 s PHE 136 N 1.43 3.12 -0.02 4.92 2.99 0.18 -4.81 117.98 125.79 3i77 s PHE 136 Ca 0.05 0.06 0.07 0.00 0.00 0.00 0.00 56.93 57.11 3i77 s PHE 136 Cb -0.15 -2.32 -0.02 0.00 0.00 0.00 0.00 43.02 40.54 3i77 s PHE 136 CO 0.02 -0.37 -0.25 0.99 -0.00 0.00 0.00 175.22 175.62 3i77 s THR 137 N -2.49 1.95 0.25 0.64 2.01 0.58 -0.56 115.64 118.02 3i77 s THR 137 Ca 0.49 -1.05 0.09 0.00 0.31 0.00 0.00 61.69 61.54 3i77 s THR 137 Cb -0.10 -1.62 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 3i77 s THR 137 CO 0.36 0.55 -0.14 0.68 -0.69 0.00 0.00 174.62 175.38 3i77 s VAL 138 N -0.52 1.98 -0.02 3.82 -7.23 -0.29 -1.36 120.40 116.78 3i77 s VAL 138 Ca 0.08 -2.26 -0.21 0.00 -1.81 0.00 0.00 61.98 57.78 3i77 s VAL 138 Cb -0.10 -2.23 0.04 0.00 0.56 0.00 0.00 36.38 34.65 3i77 s VAL 138 CO -0.00 -0.46 0.45 0.00 -0.31 0.00 0.00 175.10 174.78 3i77 s ALA 139 N -2.81 -1.15 0.00 1.32 0.00 -1.26 -1.68 121.76 116.18 3i77 s ALA 139 Ca 0.27 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.91 3i77 s ALA 139 Cb -0.01 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.17 3i77 s ALA 139 CO 0.11 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.97 3i77 n GLY 140 N 1.10 -0.76 0.75 0.00 0.00 -0.18 -4.69 105.19 101.41 3i77 n GLY 140 Ca -0.21 -1.02 0.07 0.00 0.00 0.00 0.00 46.02 44.87 3i77 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3i77 n TRP 141 N -0.14 0.72 -0.95 1.61 8.01 -1.26 -1.14 117.44 124.28 3i77 n TRP 141 Ca 0.00 -0.76 -0.18 0.00 -1.31 0.00 0.00 57.50 55.25 3i77 n TRP 141 Cb 0.00 -0.21 0.15 0.00 -2.01 0.00 0.00 31.31 29.24 3i77 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3i77 n GLY 142 N -0.25 -2.44 3.74 6.99 0.00 -1.25 -0.37 105.19 111.61 3i77 n GLY 142 Ca 0.17 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 3i77 n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i77 s ALA 143 N -3.17 2.41 -1.48 4.61 0.00 0.17 -3.02 121.76 121.28 3i77 s ALA 143 Ca 0.44 1.13 0.20 0.00 0.00 0.00 0.00 51.96 53.73 3i77 s ALA 143 Cb -0.04 -3.51 0.71 0.00 0.00 0.00 0.00 23.12 20.27 3i77 s ALA 143 CO 0.33 -1.48 1.61 0.27 0.00 0.00 0.00 175.76 176.49 3i77 n ASN 144 N -1.86 4.51 -3.53 0.00 0.23 -1.25 -0.18 115.26 113.18 3i77 n ASN 144 Ca 0.15 -2.27 -0.13 0.00 -0.53 0.00 0.00 54.58 51.79 3i77 n ASN 144 Cb 0.49 -0.55 -0.05 0.00 -2.08 0.00 0.00 39.78 37.59 3i77 n ASN 144 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i77 s ARG 145 N -1.52 0.87 0.01 -3.83 1.70 -1.26 -4.50 118.95 110.42 3i77 s ARG 145 Ca 0.51 0.05 -0.35 0.00 -0.47 0.00 0.00 55.73 55.47 3i77 s ARG 145 Cb 0.31 0.41 -0.13 0.00 -0.57 0.00 0.00 34.95 34.96 3i77 s ARG 145 CO 0.29 -0.31 1.70 0.39 -1.08 0.00 0.00 175.30 176.29 3i77 n GLU 146 N 0.51 2.01 -0.45 3.89 1.02 -1.26 -1.20 120.64 125.16 3i77 n GLU 146 Ca -0.14 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 3i77 n GLU 146 Cb 0.59 -2.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 3i77 n GLU 146 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i77 n GLY 148 N 3.83 2.01 3.68 0.62 0.00 -1.26 -5.02 105.19 109.05 3i77 n GLY 148 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 3i77 n GLY 148 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i77 s GLY 149 N -1.99 1.60 0.69 -0.02 0.00 -0.34 -5.05 107.32 102.21 3i77 s GLY 149 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 44.72 44.54 3i77 s GLY 149 CO 0.00 0.40 0.97 -1.35 0.00 0.00 0.00 173.10 173.12 3i77 s SER 150 N -3.34 4.62 0.69 1.64 1.04 -1.26 -4.70 113.70 112.39 3i77 s SER 150 Ca 0.65 0.02 -0.13 0.00 0.48 0.00 0.00 55.95 56.96 3i77 s SER 150 Cb -0.19 -0.58 0.02 0.00 0.10 0.00 0.00 66.02 65.37 3i77 s SER 150 CO 0.58 -1.67 1.09 -1.10 0.98 0.00 0.00 173.24 173.12 3i77 s GLN 151 N -5.14 2.69 -0.01 4.02 -1.52 -1.26 -3.96 119.66 114.48 3i77 s GLN 151 Ca 0.63 1.26 -0.06 0.00 -1.95 0.00 0.00 55.36 55.24 3i77 s GLN 151 Cb -0.08 -1.94 -0.05 0.00 -0.22 0.00 0.00 33.01 30.72 3i77 s GLN 151 CO 0.44 -1.32 0.25 -0.65 -0.25 0.00 0.00 175.29 173.75 3i77 s GLN 152 N -4.44 3.55 0.07 2.91 -1.52 0.50 -4.95 119.66 115.77 3i77 s GLN 152 Ca 0.64 -0.11 -0.16 0.00 -1.95 0.00 0.00 55.36 53.78 3i77 s GLN 152 Cb -0.18 -3.09 -0.16 0.00 -0.22 0.00 0.00 33.01 29.35 3i77 s GLN 152 CO 0.47 0.67 1.27 -0.09 -0.25 0.00 0.00 175.29 177.36 3i77 h ARG 153 N 4.07 0.64 -5.61 2.91 2.43 -1.94 -3.46 114.38 113.42 3i77 h ARG 153 Ca -0.50 -0.50 -0.65 0.00 -0.81 0.00 0.00 59.98 57.52 3i77 h ARG 153 Cb 1.20 0.10 -0.17 0.00 -0.42 0.00 0.00 29.97 30.68 3i77 h ARG 153 CO 0.66 1.12 -0.62 0.71 -1.51 0.00 0.00 179.97 180.33 3i77 s TYR 154 N -3.77 3.15 0.12 2.20 2.02 -1.26 -1.24 117.35 118.57 3i77 s TYR 154 Ca -0.12 0.03 -0.34 0.00 -0.37 0.00 0.00 57.07 56.26 3i77 s TYR 154 Cb 0.07 -1.91 -0.14 0.00 -0.40 0.00 0.00 41.96 39.58 3i77 s TYR 154 CO 0.85 0.25 1.58 -0.11 -1.57 0.00 0.00 175.55 176.55 3i77 n LEU 155 N 2.87 2.91 -4.72 -1.29 7.94 -0.02 -4.83 117.00 119.86 3i77 n LEU 155 Ca -0.18 1.08 -0.28 0.00 -1.11 0.00 0.00 56.01 55.52 3i77 n LEU 155 Cb 0.53 -1.38 -0.07 0.00 0.53 0.00 0.00 43.42 43.03 3i77 n LEU 155 CO 0.31 -0.38 -0.29 -0.76 -1.11 0.00 0.00 177.39 175.16 3i77 s LEU 156 N 1.20 3.57 0.12 -1.96 1.43 -0.29 -1.48 118.68 121.27 3i77 s LEU 156 Ca 0.81 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.75 3i77 s LEU 156 Cb -0.73 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 3i77 s LEU 156 CO 0.41 0.13 -0.08 -1.59 0.23 0.00 0.00 176.35 175.44 3i77 s LYS 157 N -2.68 0.92 0.12 1.70 -2.85 0.74 -1.01 119.74 116.67 3i77 s LYS 157 Ca 0.28 -1.35 -0.22 0.00 -1.00 0.00 0.00 55.97 53.68 3i77 s LYS 157 Cb -0.11 -0.41 0.06 0.00 -2.06 0.00 0.00 37.83 35.32 3i77 s LYS 157 CO 0.20 0.03 0.55 0.00 0.10 0.00 0.00 175.35 176.23 3i77 s ALA 158 N -3.35 -1.42 -0.13 0.59 0.00 -0.68 -1.15 121.76 115.62 3i77 s ALA 158 Ca 0.13 0.44 -0.09 0.00 0.00 0.00 0.00 51.96 52.43 3i77 s ALA 158 Cb 0.03 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 3i77 s ALA 158 CO -0.02 -0.68 0.18 -0.80 0.00 0.00 0.00 175.76 174.44 3i77 s ASN 159 N -2.55 6.39 -0.05 0.00 0.02 -1.26 -1.14 114.94 116.36 3i77 s ASN 159 Ca -0.00 0.46 0.01 0.00 -1.02 0.00 0.00 52.86 52.31 3i77 s ASN 159 Cb -0.00 -2.11 0.02 0.00 0.02 0.00 0.00 41.25 39.18 3i77 s ASN 159 CO -0.10 0.30 -0.06 0.68 0.02 0.00 0.00 177.10 177.94 3i77 s VAL 160 N -0.47 0.66 0.43 1.60 -7.23 0.27 -4.97 120.40 110.70 3i77 s VAL 160 Ca 0.14 -0.21 -0.22 0.00 -1.81 0.00 0.00 61.98 59.88 3i77 s VAL 160 Cb -0.12 -0.66 -0.10 0.00 0.56 0.00 0.00 36.38 36.06 3i77 s VAL 160 CO 0.03 0.25 1.00 -2.16 -0.31 0.00 0.00 175.10 173.91 3i77 s PRO 161 N 0.79 4.13 0.15 4.82 0.04 -1.26 -0.64 135.00 143.03 3i77 s PRO 161 Ca -0.12 1.30 -0.34 0.00 0.04 0.00 0.00 61.00 61.88 3i77 s PRO 161 Cb -0.14 -2.30 -0.16 0.00 0.04 0.00 0.00 34.50 31.94 3i77 s PRO 161 CO 0.01 -0.13 1.28 0.34 0.04 0.00 0.00 177.00 178.53 3i77 n PHE 162 N -0.47 1.54 -4.29 0.56 7.35 -0.10 -1.41 117.46 120.64 3i77 n PHE 162 Ca 0.07 0.60 -0.33 0.00 -0.76 0.00 0.00 57.45 57.03 3i77 n PHE 162 Cb 0.52 -2.34 -0.15 0.00 0.35 0.00 0.00 39.48 37.86 3i77 n PHE 162 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3i77 s VAL 163 N 0.11 2.50 0.71 -2.13 1.01 -0.25 -4.86 120.40 117.49 3i77 s VAL 163 Ca 0.76 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.77 3i77 s VAL 163 Cb -0.84 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 33.49 3i77 s VAL 163 CO 0.49 0.51 1.16 -1.54 0.00 0.00 0.00 175.10 175.72 3i77 n SER 164 N 4.39 1.26 -0.30 3.32 3.41 -1.26 -3.82 113.62 120.62 3i77 n SER 164 Ca -0.20 0.71 0.10 0.00 -0.26 0.00 0.00 58.87 59.23 3i77 n SER 164 Cb 0.51 -1.49 0.27 0.00 -0.26 0.00 0.00 64.21 63.23 3i77 n SER 164 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3i77 h ASP 165 N -0.11 0.38 -0.15 4.04 3.45 -1.94 0.29 116.42 122.38 3i77 h ASP 165 Ca -0.48 0.13 -0.03 0.00 0.43 0.00 0.00 57.03 57.08 3i77 h ASP 165 Cb 1.33 0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 40.19 3i77 h ASP 165 CO 0.49 0.08 -0.02 0.00 -1.57 0.00 0.00 179.24 178.21 3i77 h ALA 166 N 1.65 0.20 -0.34 3.45 0.00 -2.00 -1.44 119.26 120.78 3i77 h ALA 166 Ca 0.51 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3i77 h ALA 166 Cb 0.89 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3i77 h ALA 166 CO -0.47 -0.06 -0.02 0.00 0.00 0.00 0.00 179.25 178.70 3i77 h ALA 167 N 0.73 1.33 0.29 0.00 0.00 -1.76 -2.08 119.26 117.76 3i77 h ALA 167 Ca 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3i77 h ALA 167 Cb 0.43 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3i77 h ALA 167 CO 0.01 0.46 -0.14 0.00 0.00 0.00 0.00 179.25 179.58 3i77 h ARG 169 N -0.48 0.93 -0.57 0.00 3.08 -1.08 -2.84 114.38 113.42 3i77 h ARG 169 Ca -0.04 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3i77 h ARG 169 Cb 0.36 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3i77 h ARG 169 CO 0.07 0.62 0.33 0.66 -1.07 0.00 0.00 179.97 180.57 3i77 h SER 170 N 0.96 0.71 0.42 7.04 4.64 -1.38 0.92 113.55 126.85 3i77 h SER 170 Ca 0.28 -0.08 -0.29 0.00 -0.47 0.00 0.00 61.79 61.23 3i77 h SER 170 Cb -0.07 -0.18 0.02 0.00 -0.31 0.00 0.00 62.40 61.86 3i77 h SER 170 CO -0.08 0.58 -1.29 0.77 -0.87 0.00 0.00 176.83 175.94 3i77 h SER 171 N 0.77 0.64 0.00 4.97 4.64 -1.64 -3.38 113.55 119.55 3i77 h SER 171 Ca 0.20 -0.65 -0.18 0.00 -0.47 0.00 0.00 61.79 60.69 3i77 h SER 171 Cb 0.02 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 61.92 3i77 h SER 171 CO -0.04 1.49 -0.72 -1.28 -0.87 0.00 0.00 176.83 175.42 3i77 h SER 172 N 0.14 0.63 -1.81 4.97 0.87 -1.22 -3.47 113.55 113.66 3i77 h SER 172 Ca -0.18 -0.76 -0.35 0.00 -1.23 0.00 0.00 61.79 59.28 3i77 h SER 172 Cb 1.99 -0.19 -0.10 0.00 -0.44 0.00 0.00 62.40 63.65 3i77 h SER 172 CO 0.23 1.30 -0.35 -1.54 -0.53 0.00 0.00 176.83 175.94 3i77 n SER 173 N -4.13 -4.65 -4.71 6.23 3.41 0.32 -4.98 113.62 105.11 3i77 n SER 173 Ca -0.11 0.32 -0.40 0.00 -0.26 0.00 0.00 58.87 58.43 3i77 n SER 173 Cb 0.73 -4.11 0.03 0.00 -0.26 0.00 0.00 64.21 60.60 3i77 n SER 173 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3i77 n PHE 174 N -2.59 2.07 -3.54 7.33 3.72 -1.26 -5.00 117.46 118.19 3i77 n PHE 174 Ca -0.18 0.47 -0.39 0.00 -0.05 0.00 0.00 57.45 57.29 3i77 n PHE 174 Cb 0.59 -2.35 -0.11 0.00 -0.94 0.00 0.00 39.48 36.67 3i77 n PHE 174 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3i77 s ILE 175 N -1.26 5.29 -0.02 4.37 1.01 -1.26 -4.70 121.20 124.63 3i77 s ILE 175 Ca 0.66 -0.03 -0.02 0.00 0.00 0.00 0.00 60.65 61.25 3i77 s ILE 175 Cb -0.47 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 3i77 s ILE 175 CO 0.54 0.09 0.14 -0.76 0.00 0.00 0.00 174.94 174.96 3i77 s LEU 176 N 1.76 4.21 -0.87 2.97 1.43 -1.26 -5.01 118.68 121.92 3i77 s LEU 176 Ca 0.07 0.29 -0.21 0.00 -1.03 0.00 0.00 54.13 53.26 3i77 s LEU 176 Cb -0.17 -2.43 0.10 0.00 0.03 0.00 0.00 46.19 43.72 3i77 s LEU 176 CO 0.11 0.28 1.13 -0.69 0.23 0.00 0.00 176.35 177.41 3i77 s VAL 177 N -1.24 4.49 0.24 -1.59 1.01 -1.26 -4.96 120.40 117.08 3i77 s VAL 177 Ca 0.24 -1.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 3i77 s VAL 177 Cb -0.12 -4.80 0.21 0.00 0.00 0.00 0.00 36.38 31.67 3i77 s VAL 177 CO 0.15 -1.56 1.80 0.00 0.00 0.00 0.00 175.10 175.49 3i77 h ALA 177 N 9.19 1.14 0.00 5.51 0.00 -1.96 0.19 119.26 133.33 3i77 h ALA 177 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3i77 h ALA 177 Cb 1.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3i77 h ALA 177 CO 1.18 0.04 0.00 0.09 0.00 0.00 0.00 179.25 180.56 3i77 n ASN 178 N -4.79 0.00 -0.22 0.00 3.02 -1.26 -3.41 115.26 108.60 3i77 n ASN 178 Ca 0.13 -0.04 0.06 0.00 -0.03 0.00 0.00 54.58 54.70 3i77 n ASN 178 Cb 0.29 -0.29 -0.01 0.00 -0.61 0.00 0.00 39.78 39.15 3i77 n ASN 178 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3i77 n GLU 179 N -1.29 2.19 -3.94 3.52 1.02 0.64 -4.65 120.64 118.12 3i77 n GLU 179 Ca 0.12 -0.55 -0.14 0.00 -0.02 0.00 0.00 57.16 56.57 3i77 n GLU 179 Cb 0.20 -1.12 -0.15 0.00 -0.02 0.00 0.00 31.44 30.35 3i77 n GLU 179 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3i77 s MET 180 N -1.63 0.14 -0.03 3.49 -1.94 -0.99 -0.80 119.30 117.55 3i77 s MET 180 Ca 0.09 -0.02 0.05 0.00 -1.71 0.00 0.00 55.69 54.10 3i77 s MET 180 Cb 0.09 -0.18 -0.01 0.00 2.01 0.00 0.00 34.83 36.74 3i77 s MET 180 CO 0.33 -0.00 -0.19 0.42 -0.01 0.00 0.00 175.02 175.57 3i77 s ILE 181 N 0.18 1.51 0.08 2.53 1.01 -0.01 -4.76 121.20 121.73 3i77 s ILE 181 Ca -0.01 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.87 3i77 s ILE 181 Cb -0.03 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 3i77 s ILE 181 CO -0.00 0.43 0.11 0.00 0.00 0.00 0.00 174.94 175.47 3i77 s ALA 183 N -1.42 -1.39 0.00 0.00 0.00 -0.64 -1.09 121.76 117.21 3i77 s ALA 183 Ca 0.30 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.44 3i77 s ALA 183 Cb -0.12 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.67 3i77 s ALA 183 CO 0.23 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.10 3i77 n GLY 184 N 1.68 0.89 2.70 0.00 0.00 -0.50 -1.07 105.19 108.89 3i77 n GLY 184 Ca -0.18 -1.82 -0.27 0.00 0.00 0.00 0.00 46.02 43.75 3i77 n GLY 184 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i77 n TYR 185 N 9.00 2.28 0.22 1.61 4.01 -1.26 -4.17 117.16 128.85 3i77 n TYR 185 Ca 0.00 -4.05 0.14 0.00 -0.16 0.00 0.00 57.90 53.83 3i77 n TYR 185 Cb 0.00 -0.42 0.77 0.00 -0.31 0.00 0.00 39.34 39.38 3i77 n TYR 185 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3i77 h PRO 185 N 5.21 0.00 -0.26 -0.72 0.13 -1.91 0.85 132.00 135.29 3i77 h PRO 185 Ca 0.18 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.22 3i77 h PRO 185 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 3i77 h PRO 185 CO 0.65 0.00 -0.22 -0.44 -0.23 0.00 0.00 178.00 177.76 3i77 h ASP 185 N 0.00 0.48 0.00 1.44 3.45 -1.94 0.77 116.42 120.62 3i77 h ASP 185 Ca 0.05 -0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.36 3i77 h ASP 185 Cb 0.26 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 3i77 h ASP 185 CO -0.00 0.71 -0.86 0.35 -1.57 0.00 0.00 179.24 177.87 3i77 n THR 185 N -4.14 0.00 -4.56 0.35 -2.24 -0.81 -4.78 114.28 98.10 3i77 n THR 185 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i77 n THR 185 Cb 0.38 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 3i77 n THR 185 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i77 n GLY 186 N 2.43 -0.57 0.00 3.38 0.00 0.29 -4.38 105.19 106.34 3i77 n GLY 186 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3i77 n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i77 n GLY 187 N 0.00 2.71 2.76 -0.02 0.00 0.18 -4.76 105.19 106.06 3i77 n GLY 187 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3i77 n GLY 187 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i77 s VAL 188 N -2.54 -0.07 -0.05 1.61 1.01 -1.26 -3.59 120.40 115.51 3i77 s VAL 188 Ca 0.00 0.26 -0.31 0.00 0.00 0.00 0.00 61.98 61.93 3i77 s VAL 188 Cb 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 36.38 36.39 3i77 s VAL 188 CO 0.00 0.11 1.16 -0.62 0.00 0.00 0.00 175.10 175.75 3i77 s ASP 189 N 1.32 -0.14 0.55 3.32 -1.08 -1.00 -4.41 116.67 115.23 3i77 s ASP 189 Ca -0.06 -0.11 -0.06 0.00 -0.52 0.00 0.00 52.55 51.79 3i77 s ASP 189 Cb -0.13 0.23 -0.02 0.00 -1.46 0.00 0.00 42.92 41.55 3i77 s ASP 189 CO -0.03 -0.41 0.87 0.42 0.52 0.00 0.00 175.17 176.54 3i77 s THR 190 N -2.64 4.38 0.20 1.71 -4.23 -1.26 -0.22 115.64 113.58 3i77 s THR 190 Ca 0.11 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 3i77 s THR 190 Cb 0.01 -3.70 -0.00 0.00 1.34 0.00 0.00 72.50 70.15 3i77 s THR 190 CO -0.04 -0.74 0.25 0.00 -0.54 0.00 0.00 174.62 173.55 3i77 n GLN 192 N -0.34 2.01 0.00 0.00 -0.06 -1.26 -0.87 117.38 116.86 3i77 n GLN 192 Ca 0.01 0.73 0.00 0.00 -2.00 0.00 0.00 57.00 55.75 3i77 n GLN 192 Cb 0.34 -2.53 0.00 0.00 -4.06 0.00 0.00 30.24 23.99 3i77 n GLN 192 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3i77 n GLY 193 N 3.98 0.22 0.04 1.69 0.00 -1.26 -0.66 105.19 109.20 3i77 n GLY 193 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 3i77 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i77 n ASP 194 N 0.00 0.61 -4.51 1.61 8.00 -0.05 -3.75 116.55 118.46 3i77 n ASP 194 Ca 0.00 -0.16 -0.48 0.00 0.71 0.00 0.00 54.79 54.87 3i77 n ASP 194 Cb 0.00 0.76 -0.03 0.00 -0.02 0.00 0.00 41.12 41.83 3i77 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3i77 n SER 195 N -2.01 0.32 0.00 -2.24 7.64 -1.26 -1.72 113.62 114.35 3i77 n SER 195 Ca 0.02 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.05 3i77 n SER 195 Cb 0.44 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 3i77 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i77 n GLY 196 N 1.68 3.19 3.72 0.23 0.00 -0.13 -0.32 105.19 113.55 3i77 n GLY 196 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3i77 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i77 s GLY 197 N -1.82 1.87 0.29 -0.02 0.00 -0.70 -3.69 107.32 103.26 3i77 s GLY 197 Ca 0.00 0.58 -0.19 0.00 0.00 0.00 0.00 44.72 45.11 3i77 s GLY 197 CO 0.00 0.97 0.77 2.56 0.00 0.00 0.00 173.10 177.40 3i77 s PRO 198 N -4.50 4.18 -0.14 2.90 0.04 -1.26 -0.62 135.00 135.59 3i77 s PRO 198 Ca 0.67 0.86 -0.02 0.00 0.04 0.00 0.00 61.00 62.55 3i77 s PRO 198 Cb -0.23 -2.62 -0.02 0.00 0.04 0.00 0.00 34.50 31.67 3i77 s PRO 198 CO 0.53 0.24 -0.07 1.41 0.04 0.00 0.00 177.00 179.15 3i77 s MET 199 N -2.51 3.53 0.19 4.56 1.75 0.48 -4.17 119.30 123.13 3i77 s MET 199 Ca 0.50 -0.58 -0.08 0.00 -1.25 0.00 0.00 55.69 54.28 3i77 s MET 199 Cb -0.13 -2.80 -0.01 0.00 2.84 0.00 0.00 34.83 34.73 3i77 s MET 199 CO 0.19 0.25 0.30 -0.59 -0.65 0.00 0.00 175.02 174.52 3i77 s PHE 200 N 0.31 0.53 0.36 4.11 -0.12 -0.47 -0.61 117.98 122.09 3i77 s PHE 200 Ca -0.06 -0.87 -0.14 0.00 -0.05 0.00 0.00 56.93 55.80 3i77 s PHE 200 Cb -0.15 -0.09 0.04 0.00 -0.63 0.00 0.00 43.02 42.19 3i77 s PHE 200 CO 0.04 -0.77 0.72 -0.98 -0.05 0.00 0.00 175.22 174.18 3i77 s ARG 201 N -4.01 2.09 0.21 1.99 1.70 -0.56 -0.30 118.95 120.06 3i77 s ARG 201 Ca 0.22 -1.41 -0.30 0.00 -0.47 0.00 0.00 55.73 53.77 3i77 s ARG 201 Cb 0.03 0.59 -0.08 0.00 -0.57 0.00 0.00 34.95 34.92 3i77 s ARG 201 CO 0.04 -0.95 1.02 0.15 -1.08 0.00 0.00 175.30 174.48 3i77 s LYS 202 N -2.76 4.72 0.00 3.89 -0.14 -1.26 -0.11 119.74 124.08 3i77 s LYS 202 Ca 0.17 1.60 0.00 0.00 -1.36 0.00 0.00 55.97 56.39 3i77 s LYS 202 Cb -0.04 -3.28 0.00 0.00 -1.68 0.00 0.00 37.83 32.83 3i77 s LYS 202 CO 0.12 0.29 0.00 -0.40 -0.76 0.00 0.00 175.35 174.60 3i77 n ASP 203 N 1.90 0.00 0.27 2.83 5.68 0.55 -4.86 116.55 122.91 3i77 n ASP 203 Ca 0.00 -0.92 0.18 0.00 -0.50 0.00 0.00 54.79 53.55 3i77 n ASP 203 Cb 0.47 0.00 0.80 0.00 -1.14 0.00 0.00 41.12 41.25 3i77 n ASP 203 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3i77 h ASN 204 N 0.00 0.00 -0.66 -1.12 2.35 -1.98 -1.47 115.58 112.70 3i77 h ASN 204 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3i77 h ASN 204 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3i77 h ASN 204 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 3i77 n ALA 204 N -2.03 3.06 -2.44 -0.83 0.00 -1.26 -4.93 120.51 112.08 3i77 n ALA 204 Ca -0.00 -1.60 -0.19 0.00 0.00 0.00 0.00 53.44 51.65 3i77 n ALA 204 Cb 0.22 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.66 3i77 n ALA 204 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i77 n ASP 205 N 1.16 -5.54 -4.64 0.00 2.03 -0.55 -5.01 116.55 103.99 3i77 n ASP 205 Ca 0.26 -0.05 -0.30 0.00 0.52 0.00 0.00 54.79 55.22 3i77 n ASP 205 Cb 0.88 -4.56 -0.09 0.00 -0.72 0.00 0.00 41.12 36.64 3i77 n ASP 205 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3i77 s GLU 206 N -5.04 2.36 0.25 -0.67 2.02 -1.26 -4.85 118.70 111.52 3i77 s GLU 206 Ca 0.04 -0.92 -0.30 0.00 0.02 0.00 0.00 54.97 53.81 3i77 s GLU 206 Cb -0.02 -2.44 -0.10 0.00 0.10 0.00 0.00 34.13 31.67 3i77 s GLU 206 CO 0.05 0.53 1.47 -1.58 0.02 0.00 0.00 175.26 175.74 3i77 s TRP 207 N -1.27 2.97 0.01 1.61 0.23 -1.26 -0.33 118.94 120.90 3i77 s TRP 207 Ca 0.24 0.97 0.03 0.00 -2.03 0.00 0.00 56.10 55.31 3i77 s TRP 207 Cb -0.11 -3.87 -0.01 0.00 0.03 0.00 0.00 33.47 29.51 3i77 s TRP 207 CO 0.16 -2.85 -0.09 -1.50 0.96 0.00 0.00 176.95 173.63 3i77 s ILE 208 N 0.03 0.68 -0.21 2.03 2.07 0.84 -4.25 121.20 122.40 3i77 s ILE 208 Ca 0.60 -0.53 -0.18 0.00 -1.41 0.00 0.00 60.65 59.13 3i77 s ILE 208 Cb -0.43 -0.60 -0.03 0.00 0.13 0.00 0.00 42.46 41.52 3i77 s ILE 208 CO 0.44 0.08 0.52 -1.58 -1.91 0.00 0.00 174.94 172.49 3i77 s GLN 209 N -0.50 4.18 -0.01 3.50 0.74 0.14 -1.49 119.66 126.21 3i77 s GLN 209 Ca 0.01 0.41 0.11 0.00 0.05 0.00 0.00 55.36 55.94 3i77 s GLN 209 Cb -0.05 -3.57 -0.16 0.00 1.10 0.00 0.00 33.01 30.33 3i77 s GLN 209 CO 0.00 -0.17 0.27 1.33 -0.55 0.00 0.00 175.29 176.17 3i77 n VAL 210 N 4.62 0.00 -4.08 1.34 0.24 0.22 -1.23 118.33 119.44 3i77 n VAL 210 Ca -0.05 -0.25 -0.09 0.00 -2.04 0.00 0.00 64.34 61.92 3i77 n VAL 210 Cb 0.50 0.39 -0.09 0.00 -1.47 0.00 0.00 33.84 33.17 3i77 n VAL 210 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3i77 s GLY 211 N -3.01 0.69 -0.06 7.63 0.00 -0.42 -1.67 107.32 110.47 3i77 s GLY 211 Ca -0.03 -1.23 0.03 0.00 0.00 0.00 0.00 44.72 43.49 3i77 s GLY 211 CO 0.44 -1.22 -0.17 -0.42 0.00 0.00 0.00 173.10 171.74 3i77 s ILE 212 N -3.98 1.44 0.04 0.90 1.01 -1.00 -0.39 121.20 119.22 3i77 s ILE 212 Ca 0.16 -0.68 -0.31 0.00 0.00 0.00 0.00 60.65 59.82 3i77 s ILE 212 Cb 0.07 -1.27 -0.10 0.00 0.01 0.00 0.00 42.46 41.17 3i77 s ILE 212 CO -0.03 0.42 1.93 0.52 0.00 0.00 0.00 174.94 177.78 3i77 n VAL 213 N 3.49 0.65 0.02 2.92 0.31 0.21 -0.29 118.33 125.64 3i77 n VAL 213 Ca -0.20 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3i77 n VAL 213 Cb 0.52 -2.22 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 3i77 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3i77 n SER 214 N 6.95 0.37 -3.46 4.52 2.88 -0.89 -0.96 113.62 123.03 3i77 n SER 214 Ca 0.20 0.07 -0.08 0.00 -1.33 0.00 0.00 58.87 57.73 3i77 n SER 214 Cb 0.38 -0.09 -0.00 0.00 -0.75 0.00 0.00 64.21 63.75 3i77 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3i77 s TRP 215 N -1.39 -0.04 0.00 0.66 1.48 -0.64 -4.94 118.94 114.07 3i77 s TRP 215 Ca 0.00 -0.51 0.00 0.00 -1.06 0.00 0.00 56.10 54.53 3i77 s TRP 215 Cb 0.00 0.75 0.00 0.00 -1.16 0.00 0.00 33.47 33.06 3i77 s TRP 215 CO 0.00 -1.38 0.00 0.41 -4.06 0.00 0.00 176.95 171.92 3i77 n GLY 216 N -0.49 1.19 2.89 3.67 0.00 -1.26 -0.51 105.19 110.68 3i77 n GLY 216 Ca -0.06 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 3i77 n GLY 216 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i77 s TYR 217 N -3.73 2.75 0.00 1.61 6.14 -1.26 -5.03 117.35 117.83 3i77 s TYR 217 Ca 0.00 -2.33 0.00 0.00 0.64 0.00 0.00 57.07 55.38 3i77 s TYR 217 Cb 0.00 -2.27 0.00 0.00 0.42 0.00 0.00 41.96 40.11 3i77 s TYR 217 CO 0.00 -0.90 0.00 0.41 0.64 0.00 0.00 175.55 175.70 3i77 n GLY 219 N 4.55 1.37 2.77 8.97 0.00 -1.26 -4.70 105.19 116.90 3i77 n GLY 219 Ca -0.00 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 3i77 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i77 n ALA 221 N 4.32 -0.22 -1.76 0.00 0.00 -1.26 -4.78 120.51 116.80 3i77 n ALA 221 Ca -0.25 0.23 -0.40 0.00 0.00 0.00 0.00 53.44 53.02 3i77 n ALA 221 Cb 0.50 -1.59 -0.05 0.00 0.00 0.00 0.00 19.45 18.32 3i77 n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i77 s ARG 222 N -3.23 4.65 0.40 0.00 0.52 -1.26 -0.64 118.95 119.38 3i77 s ARG 222 Ca 0.00 1.75 -0.26 0.00 -0.52 0.00 0.00 55.73 56.70 3i77 s ARG 222 Cb 0.00 -3.17 -0.11 0.00 0.52 0.00 0.00 34.95 32.20 3i77 s ARG 222 CO 0.00 0.24 1.27 -0.35 0.02 0.00 0.00 175.30 176.47 3i77 n PRO 223 N 1.17 1.97 0.00 3.54 -0.04 -1.26 -2.27 135.00 138.11 3i77 n PRO 223 Ca -0.01 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 3i77 n PRO 223 Cb 0.45 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 3i77 n PRO 223 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i77 n GLY 223 N 0.81 2.60 2.81 0.55 0.00 0.27 -4.91 105.19 107.31 3i77 n GLY 223 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3i77 n GLY 223 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i77 s TYR 224 N -2.20 2.58 0.90 1.61 2.02 -0.96 -2.91 117.35 118.39 3i77 s TYR 224 Ca 0.00 -2.81 -0.11 0.00 -0.37 0.00 0.00 57.07 53.78 3i77 s TYR 224 Cb 0.00 -2.29 0.13 0.00 -0.40 0.00 0.00 41.96 39.40 3i77 s TYR 224 CO 0.00 -0.74 1.10 -2.14 -1.57 0.00 0.00 175.55 172.20 3i77 s PRO 225 N -0.13 1.21 0.51 -1.71 0.02 -1.26 -4.44 135.00 129.20 3i77 s PRO 225 Ca 0.19 1.10 -0.19 0.00 0.02 0.00 0.00 61.00 62.12 3i77 s PRO 225 Cb -0.21 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 32.45 3i77 s PRO 225 CO -0.03 -2.35 1.04 0.20 -0.33 0.00 0.00 177.00 175.52 3i77 s GLY 226 N -3.12 2.41 -0.08 0.52 0.00 -0.23 -4.68 107.32 102.14 3i77 s GLY 226 Ca 0.64 0.54 0.02 0.00 0.00 0.00 0.00 44.72 45.92 3i77 s GLY 226 CO 0.58 0.85 -0.12 0.14 0.00 0.00 0.00 173.10 174.55 3i77 s VAL 227 N -2.11 3.23 0.06 1.40 1.01 0.34 -1.63 120.40 122.69 3i77 s VAL 227 Ca 0.66 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 62.06 3i77 s VAL 227 Cb -0.16 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 3i77 s VAL 227 CO 0.24 0.57 -0.17 -0.31 0.00 0.00 0.00 175.10 175.43 3i77 s TYR 228 N -0.47 1.47 0.18 5.22 2.02 0.21 -1.63 117.35 124.36 3i77 s TYR 228 Ca 0.06 -0.39 -0.32 0.00 -0.37 0.00 0.00 57.07 56.06 3i77 s TYR 228 Cb -0.12 -0.86 -0.11 0.00 -0.40 0.00 0.00 41.96 40.48 3i77 s TYR 228 CO 0.02 0.08 1.65 0.99 -1.57 0.00 0.00 175.55 176.72 3i77 s THR 229 N -0.96 2.36 -0.80 -0.71 2.01 0.61 -0.83 115.64 117.32 3i77 s THR 229 Ca 0.03 0.24 -0.25 0.00 0.31 0.00 0.00 61.69 62.03 3i77 s THR 229 Cb -0.09 -3.15 0.05 0.00 0.01 0.00 0.00 72.50 69.32 3i77 s THR 229 CO 0.02 0.02 1.25 -0.70 -0.69 0.00 0.00 174.62 174.52 3i77 s GLU 230 N 1.26 3.30 0.23 4.92 2.12 0.02 -2.39 118.70 128.16 3i77 s GLU 230 Ca 0.73 -0.66 -0.07 0.00 0.36 0.00 0.00 54.97 55.33 3i77 s GLU 230 Cb -0.46 -4.51 0.22 0.00 0.26 0.00 0.00 34.13 29.63 3i77 s GLU 230 CO 0.32 -2.08 1.88 0.28 -0.54 0.00 0.00 175.26 175.12 3i77 h VAL 231 N 6.19 1.26 -0.67 3.70 2.07 -1.65 -2.37 116.25 124.77 3i77 h VAL 231 Ca -0.14 -0.57 0.16 0.00 0.82 0.00 0.00 66.70 66.96 3i77 h VAL 231 Cb 1.04 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3i77 h VAL 231 CO 1.29 0.27 0.46 0.77 0.02 0.00 0.00 177.57 180.38 3i77 h SER 232 N 1.27 0.22 0.47 0.57 4.64 -1.78 0.15 113.55 119.09 3i77 h SER 232 Ca 0.33 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.55 3i77 h SER 232 Cb -0.04 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 3i77 h SER 232 CO -0.06 0.11 -0.51 0.74 -0.87 0.00 0.00 176.83 176.24 3i77 h THR 233 N 0.23 1.37 -0.02 2.95 2.02 -1.69 -3.19 112.91 114.58 3i77 h THR 233 Ca 0.33 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.74 3i77 h THR 233 Cb 0.95 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 3i77 h THR 233 CO -0.07 0.51 -0.13 0.49 0.37 0.00 0.00 175.52 176.69 3i77 n PHE 234 N -3.93 0.00 -0.35 3.16 3.01 0.34 -4.66 117.46 115.03 3i77 n PHE 234 Ca -0.02 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.49 3i77 n PHE 234 Cb 0.53 0.00 0.19 0.00 -0.01 0.00 0.00 39.48 40.20 3i77 n PHE 234 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i77 h ALA 235 N 3.42 1.40 -0.08 4.37 0.00 -1.04 0.12 119.26 127.44 3i77 h ALA 235 Ca 0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 3i77 h ALA 235 Cb 0.71 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3i77 h ALA 235 CO 0.00 0.32 -0.81 0.66 0.00 0.00 0.00 179.25 179.42 3i77 h SER 236 N 1.06 0.68 -0.29 0.00 4.64 -1.83 -0.81 113.55 116.99 3i77 h SER 236 Ca 0.45 -0.47 -0.08 0.00 -0.47 0.00 0.00 61.79 61.22 3i77 h SER 236 Cb 0.30 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 3i77 h SER 236 CO -0.21 1.24 -0.10 0.00 -0.87 0.00 0.00 176.83 176.89 3i77 h ALA 237 N 0.74 1.07 -0.08 5.18 0.00 -1.70 -0.67 119.26 123.80 3i77 h ALA 237 Ca -0.05 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3i77 h ALA 237 Cb 1.41 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3i77 h ALA 237 CO 0.15 0.57 0.04 0.82 0.00 0.00 0.00 179.25 180.83 3i77 h ILE 238 N 0.64 1.11 -0.56 0.00 2.04 -0.62 -0.36 117.51 119.76 3i77 h ILE 238 Ca 0.11 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 3i77 h ILE 238 Cb 0.55 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 3i77 h ILE 238 CO 0.03 0.10 0.20 0.00 0.00 0.00 0.00 178.15 178.48 3i77 h ALA 239 N 0.91 0.73 -0.61 1.87 0.00 -1.02 0.62 119.26 121.75 3i77 h ALA 239 Ca 0.03 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3i77 h ALA 239 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3i77 h ALA 239 CO -0.00 0.37 0.10 1.03 0.00 0.00 0.00 179.25 180.75 3i77 h SER 240 N 0.78 0.98 -0.57 0.00 0.87 -1.10 -2.61 113.55 111.89 3i77 h SER 240 Ca 0.18 -0.26 -0.11 0.00 -1.23 0.00 0.00 61.79 60.37 3i77 h SER 240 Cb 0.25 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3i77 h SER 240 CO -0.01 0.99 -0.07 0.00 -0.53 0.00 0.00 176.83 177.21 3i77 h ALA 241 N 1.02 0.78 -0.02 6.23 0.00 -0.70 -3.07 119.26 123.50 3i77 h ALA 241 Ca 0.19 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3i77 h ALA 241 Cb 0.43 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3i77 h ALA 241 CO 0.01 0.67 -0.06 0.00 0.00 0.00 0.00 179.25 179.87 3i77 h ALA 242 N 0.95 1.87 0.00 0.00 0.00 -0.69 -2.07 119.26 119.32 3i77 h ALA 242 Ca 0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3i77 h ALA 242 Cb 0.64 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3i77 h ALA 242 CO 0.04 0.10 -0.21 0.00 0.00 0.00 0.00 179.25 179.19 3i77 h ARG 243 N 0.03 0.00 -0.00 0.00 3.08 -1.36 -2.48 114.38 113.64 3i77 h ARG 243 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3i77 h ARG 243 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3i77 h ARG 243 CO 0.01 0.21 -0.04 0.25 -1.07 0.00 0.00 179.97 179.32 3i77 n THR 244 N -3.56 0.00 1.39 2.04 -2.24 -0.78 -5.13 114.28 106.00 3i77 n THR 244 Ca -0.01 -0.04 0.14 0.00 -2.27 0.00 0.00 64.05 61.87 3i77 n THR 244 Cb 0.35 -0.28 0.43 0.00 -2.10 0.00 0.00 70.33 68.73 3i77 n THR 244 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68