#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8h s VAL 2 N 0.00 4.49 0.27 3.17 0.11 -1.26 -0.96 120.40 126.21 3i8h s VAL 2 Ca 0.00 0.81 -0.13 0.00 -2.93 0.00 0.00 61.98 59.73 3i8h s VAL 2 Cb 0.00 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 31.09 3i8h s VAL 2 CO 0.00 -1.06 0.52 -0.54 -3.33 0.00 0.00 175.10 170.69 3i8h s LYS 3 N -5.18 1.64 -0.09 1.54 1.02 -0.38 -3.29 119.74 115.00 3i8h s LYS 3 Ca 0.56 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 55.26 3i8h s LYS 3 Cb -0.11 0.49 0.02 0.00 -0.52 0.00 0.00 37.83 37.71 3i8h s LYS 3 CO 0.54 -0.70 -0.07 0.42 -0.92 0.00 0.00 175.35 174.62 3i8h s ILE 4 N -3.82 0.90 0.04 2.17 1.09 -1.25 -1.62 121.20 118.70 3i8h s ILE 4 Ca 0.22 -0.25 -0.03 0.00 -1.10 0.00 0.00 60.65 59.49 3i8h s ILE 4 Cb -0.01 -0.92 0.01 0.00 -1.06 0.00 0.00 42.46 40.48 3i8h s ILE 4 CO 0.10 0.33 0.13 -2.11 -0.10 0.00 0.00 174.94 173.29 3i8h n ARG 5 N 4.63 0.12 -3.60 2.79 1.85 0.38 -2.52 116.66 120.30 3i8h n ARG 5 Ca -0.15 -0.25 -0.36 0.00 -1.00 0.00 0.00 57.85 56.09 3i8h n ARG 5 Cb 0.50 0.32 -0.07 0.00 -1.05 0.00 0.00 32.46 32.17 3i8h n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3i8h s LEU 6 N 0.00 4.27 -0.59 2.89 1.02 -1.26 -0.28 118.68 124.73 3i8h s LEU 6 Ca 0.03 0.49 0.04 0.00 0.02 0.00 0.00 54.13 54.70 3i8h s LEU 6 Cb -0.01 -2.31 0.15 0.00 0.02 0.00 0.00 46.19 44.04 3i8h s LEU 6 CO 0.01 0.16 0.36 0.00 0.02 0.00 0.00 176.35 176.90 3i8h s ALA 7 N 0.17 3.51 0.02 4.21 0.00 -1.11 -4.86 121.76 123.70 3i8h s ALA 7 Ca 0.15 -3.46 -0.39 0.00 0.00 0.00 0.00 51.96 48.26 3i8h s ALA 7 Cb -0.13 -2.22 -0.19 0.00 0.00 0.00 0.00 23.12 20.58 3i8h s ALA 7 CO 0.04 -2.05 1.12 -2.13 0.00 0.00 0.00 175.76 172.74 3i8h n ARG 8 N 2.78 0.27 0.00 0.00 0.63 -1.26 -3.46 116.66 115.62 3i8h n ARG 8 Ca 0.10 0.10 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 3i8h n ARG 8 Cb 0.33 -1.62 0.00 0.00 0.45 0.00 0.00 32.46 31.62 3i8h n ARG 8 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3i8h n PHE 9 N 1.71 0.00 0.00 -0.14 0.99 0.33 -4.90 117.46 115.45 3i8h n PHE 9 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.65 3i8h n PHE 9 Cb 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.59 3i8h n PHE 9 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i8h n GLY 10 N 0.73 1.01 2.54 1.37 0.00 -1.25 -3.95 105.19 105.65 3i8h n GLY 10 Ca 0.00 0.45 0.02 0.00 0.00 0.00 0.00 46.02 46.49 3i8h n GLY 10 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i8h n SER 11 N 10.56 -0.76 -4.74 1.61 3.41 -1.14 -4.99 113.62 117.56 3i8h n SER 11 Ca 0.00 -1.15 -0.41 0.00 -0.26 0.00 0.00 58.87 57.04 3i8h n SER 11 Cb 0.00 1.18 -0.02 0.00 -0.26 0.00 0.00 64.21 65.11 3i8h n SER 11 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3i8h s LYS 12 N -2.01 4.24 0.00 4.33 2.20 -1.26 -2.00 119.74 125.24 3i8h s LYS 12 Ca 0.19 2.34 0.00 0.00 -0.36 0.00 0.00 55.97 58.15 3i8h s LYS 12 Cb -0.00 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 3i8h s LYS 12 CO -0.00 -0.47 0.00 0.72 -0.36 0.00 0.00 175.35 175.24 3i8h n HIS 13 N 2.50 0.00 -2.67 4.03 8.25 -1.26 -4.77 115.22 121.30 3i8h n HIS 13 Ca 0.08 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.40 3i8h n HIS 13 Cb 0.40 -1.98 0.02 0.00 1.12 0.00 0.00 29.99 29.55 3i8h n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3i8h n ASN 14 N -0.95 2.15 -4.53 0.41 5.15 -0.85 -5.11 115.26 111.52 3i8h n ASN 14 Ca 0.00 -2.96 -0.48 0.00 -0.60 0.00 0.00 54.58 50.54 3i8h n ASN 14 Cb 0.48 -0.52 -0.03 0.00 -0.53 0.00 0.00 39.78 39.18 3i8h n ASN 14 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3i8h n PRO 15 N -0.13 0.87 -3.26 1.20 -0.02 -1.22 -2.89 135.00 129.55 3i8h n PRO 15 Ca 0.17 0.31 -0.05 0.00 -2.02 0.00 0.00 63.50 61.90 3i8h n PRO 15 Cb 0.77 -1.64 -0.04 0.00 -0.02 0.00 0.00 33.50 32.57 3i8h n PRO 15 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3i8h s HIS 16 N -0.69 -1.25 0.78 6.00 3.76 -1.25 -4.63 115.29 118.01 3i8h s HIS 16 Ca 0.67 0.53 -0.08 0.00 -0.15 0.00 0.00 55.06 56.02 3i8h s HIS 16 Cb -0.84 -0.03 0.11 0.00 1.11 0.00 0.00 32.58 32.93 3i8h s HIS 16 CO 0.56 -1.02 1.10 0.71 -0.85 0.00 0.00 174.74 175.24 3i8h s TYR 17 N 2.61 2.31 -0.14 1.40 1.51 -0.96 -0.51 117.35 123.57 3i8h s TYR 17 Ca 0.10 0.28 -0.04 0.00 -1.01 0.00 0.00 57.07 56.39 3i8h s TYR 17 Cb -0.12 -3.40 0.06 0.00 -0.11 0.00 0.00 41.96 38.38 3i8h s TYR 17 CO -0.29 -1.80 0.10 0.50 -1.11 0.00 0.00 175.55 172.95 3i8h s ARG 18 N -5.40 0.04 -0.17 -0.62 3.52 -1.22 -3.00 118.95 112.09 3i8h s ARG 18 Ca 0.65 0.08 -0.28 0.00 -0.13 0.00 0.00 55.73 56.04 3i8h s ARG 18 Cb -0.08 -1.41 -0.06 0.00 -1.56 0.00 0.00 34.95 31.84 3i8h s ARG 18 CO 0.47 -0.58 2.18 -0.89 -0.81 0.00 0.00 175.30 175.67 3i8h n ILE 19 N 5.29 0.43 -3.72 4.11 2.08 0.92 -2.75 119.36 125.71 3i8h n ILE 19 Ca -0.06 -0.40 -0.10 0.00 0.56 0.00 0.00 62.75 62.75 3i8h n ILE 19 Cb 0.49 -2.52 -0.05 0.00 -0.75 0.00 0.00 39.64 36.81 3i8h n ILE 19 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3i8h s VAL 20 N 7.58 0.09 -0.24 1.39 0.11 0.62 -0.41 120.40 129.53 3i8h s VAL 20 Ca 0.99 -0.80 -0.06 0.00 -2.93 0.00 0.00 61.98 59.18 3i8h s VAL 20 Cb -0.36 -1.29 -0.02 0.00 -1.53 0.00 0.00 36.38 33.19 3i8h s VAL 20 CO 0.37 -0.39 0.02 0.68 -3.33 0.00 0.00 175.10 172.44 3i8h s VAL 21 N -3.83 3.84 0.29 2.04 -7.23 -0.71 0.14 120.40 114.93 3i8h s VAL 21 Ca 0.05 -0.37 0.04 0.00 -1.81 0.00 0.00 61.98 59.89 3i8h s VAL 21 Cb 0.03 -2.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 3i8h s VAL 21 CO -0.10 0.36 0.24 0.28 -0.31 0.00 0.00 175.10 175.56 3i8h s THR 22 N 1.54 0.00 0.17 5.32 -1.32 -0.64 0.16 115.64 120.87 3i8h s THR 22 Ca 0.06 -1.98 -0.30 0.00 -1.21 0.00 0.00 61.69 58.26 3i8h s THR 22 Cb -0.15 -2.50 -0.07 0.00 -1.51 0.00 0.00 72.50 68.27 3i8h s THR 22 CO 0.00 0.00 0.99 -0.62 -2.21 0.00 0.00 174.62 172.79 3i8h s ASP 23 N -3.30 7.48 0.25 8.08 -1.08 -1.26 -1.24 116.67 125.59 3i8h s ASP 23 Ca 0.40 1.92 -0.07 0.00 -0.52 0.00 0.00 52.55 54.28 3i8h s ASP 23 Cb 0.04 -2.60 0.44 0.00 -1.46 0.00 0.00 42.92 39.34 3i8h s ASP 23 CO 0.22 -0.05 1.64 0.00 0.52 0.00 0.00 175.17 177.51 3i8h h ALA 24 N 5.04 0.82 0.00 3.66 0.00 -1.35 0.33 119.26 127.75 3i8h h ALA 24 Ca -0.44 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3i8h h ALA 24 Cb 1.21 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3i8h h ALA 24 CO 0.71 -0.42 0.00 0.54 0.00 0.00 0.00 179.25 180.08 3i8h n ARG 25 N -5.31 0.18 -2.65 0.00 1.74 -1.26 -4.80 116.66 104.55 3i8h n ARG 25 Ca 0.14 0.02 -0.25 0.00 -0.77 0.00 0.00 57.85 56.99 3i8h n ARG 25 Cb 0.48 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.44 3i8h n ARG 25 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3i8h s ARG 26 N -2.06 2.99 0.54 5.56 0.52 0.11 -5.06 118.95 121.56 3i8h s ARG 26 Ca 0.09 -0.21 -0.22 0.00 -0.52 0.00 0.00 55.73 54.87 3i8h s ARG 26 Cb 0.04 -2.40 -0.05 0.00 0.52 0.00 0.00 34.95 33.06 3i8h s ARG 26 CO 0.07 -0.51 1.33 0.15 0.02 0.00 0.00 175.30 176.36 3i8h s LYS 27 N -4.80 3.22 0.56 3.54 1.02 -1.26 -4.86 119.74 117.15 3i8h s LYS 27 Ca 0.51 2.16 0.30 0.00 0.02 0.00 0.00 55.97 58.96 3i8h s LYS 27 Cb -0.10 -2.27 1.46 0.00 -0.52 0.00 0.00 37.83 36.40 3i8h s LYS 27 CO 0.42 -1.10 1.89 -0.09 -0.92 0.00 0.00 175.35 175.55 3i8h h ARG 28 N 1.52 0.00 0.00 1.68 2.43 -1.95 0.11 114.38 118.16 3i8h h ARG 28 Ca -0.51 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 3i8h h ARG 28 Cb 1.29 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.82 3i8h h ARG 28 CO 0.58 0.00 -0.27 -0.25 -1.51 0.00 0.00 179.97 178.52 3i8h n ASP 29 N -4.05 1.57 -3.81 -3.80 10.43 -1.26 -4.43 116.55 111.20 3i8h n ASP 29 Ca 0.14 -2.85 0.00 0.00 2.57 0.00 0.00 54.79 54.65 3i8h n ASP 29 Cb 0.83 -0.38 0.00 0.00 1.84 0.00 0.00 41.12 43.41 3i8h n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3i8h n GLY 30 N -0.90 -2.78 3.69 0.44 0.00 0.37 -4.93 105.19 101.09 3i8h n GLY 30 Ca 0.12 -1.22 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 3i8h n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i8h s LYS 31 N 0.00 4.24 0.30 1.61 -2.85 -1.26 -4.96 119.74 116.82 3i8h s LYS 31 Ca 0.00 0.28 0.00 0.00 -1.00 0.00 0.00 55.97 55.25 3i8h s LYS 31 Cb 0.00 -3.49 -0.04 0.00 -2.06 0.00 0.00 37.83 32.24 3i8h s LYS 31 CO 0.00 0.05 0.50 1.52 0.10 0.00 0.00 175.35 177.52 3i8h s TYR 32 N 1.01 3.49 0.05 1.78 -0.00 -1.26 -4.75 117.35 117.67 3i8h s TYR 32 Ca 0.21 0.35 -0.33 0.00 -0.00 0.00 0.00 57.07 57.30 3i8h s TYR 32 Cb -0.15 -1.88 -0.19 0.00 -0.00 0.00 0.00 41.96 39.75 3i8h s TYR 32 CO 0.08 0.21 1.45 0.82 -0.00 0.00 0.00 175.55 178.10 3i8h h ILE 33 N 1.01 0.13 -2.68 -3.49 1.08 0.12 -3.46 117.51 110.23 3i8h h ILE 33 Ca -0.49 -0.11 -0.11 0.00 -0.39 0.00 0.00 64.86 63.76 3i8h h ILE 33 Cb 1.21 0.15 -0.23 0.00 -3.07 0.00 0.00 36.82 34.88 3i8h h ILE 33 CO 0.63 0.01 -0.18 -0.70 -0.69 0.00 0.00 178.15 177.21 3i8h s GLU 34 N -5.60 0.57 0.04 2.37 2.12 -1.04 -5.02 118.70 112.14 3i8h s GLU 34 Ca -0.18 0.47 -0.19 0.00 0.36 0.00 0.00 54.97 55.43 3i8h s GLU 34 Cb 0.02 0.27 -0.06 0.00 0.26 0.00 0.00 34.13 34.63 3i8h s GLU 34 CO 0.56 -0.10 0.57 0.21 -0.54 0.00 0.00 175.26 175.96 3i8h s LYS 35 N -0.09 4.23 -0.34 4.30 2.20 -1.26 -1.73 119.74 127.05 3i8h s LYS 35 Ca -0.03 0.71 0.16 0.00 -0.36 0.00 0.00 55.97 56.45 3i8h s LYS 35 Cb -0.03 -3.28 0.44 0.00 -1.51 0.00 0.00 37.83 33.45 3i8h s LYS 35 CO 0.02 0.53 0.95 0.44 -0.36 0.00 0.00 175.35 176.92 3i8h n ILE 36 N 2.15 1.07 0.00 5.43 -5.35 0.45 -4.99 119.36 118.12 3i8h n ILE 36 Ca -0.09 -3.47 0.00 0.00 -0.27 0.00 0.00 62.75 58.91 3i8h n ILE 36 Cb 0.51 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 3i8h n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i8h n GLY 37 N -0.08 -1.33 0.00 3.28 0.00 -1.22 -2.88 105.19 102.95 3i8h n GLY 37 Ca 0.15 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3i8h n GLY 37 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3i8h n TYR 38 N -0.29 -0.08 -3.15 1.61 0.18 0.35 -0.06 117.16 115.72 3i8h n TYR 38 Ca 0.00 0.00 0.05 0.00 1.88 0.00 0.00 57.90 59.83 3i8h n TYR 38 Cb 0.00 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 38.95 3i8h n TYR 38 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 3i8h s TYR 39 N -2.20 -0.93 -1.13 -3.48 5.04 -1.16 -3.31 117.35 110.18 3i8h s TYR 39 Ca 0.00 0.83 -0.10 0.00 -2.44 0.00 0.00 57.07 55.36 3i8h s TYR 39 Cb 0.00 0.27 0.26 0.00 0.35 0.00 0.00 41.96 42.84 3i8h s TYR 39 CO 0.00 -0.52 1.16 0.34 -1.34 0.00 0.00 175.55 175.19 3i8h s ASP 40 N 2.92 7.27 0.00 4.32 3.68 -1.19 -2.27 116.67 131.41 3i8h s ASP 40 Ca 0.11 -3.48 0.00 0.00 2.13 0.00 0.00 52.55 51.31 3i8h s ASP 40 Cb -0.10 -2.24 0.00 0.00 -1.45 0.00 0.00 42.92 39.13 3i8h s ASP 40 CO -0.18 -0.37 0.26 -0.81 0.13 0.00 0.00 175.17 174.20 3i8h n PRO 41 N 3.24 0.00 0.05 4.34 -0.04 -1.26 0.13 135.00 141.46 3i8h n PRO 41 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 3i8h n PRO 41 Cb 0.40 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 3i8h n PRO 41 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i8h h ARG 42 N 0.00 0.00 0.00 0.54 2.47 -1.89 -3.47 114.38 112.03 3i8h h ARG 42 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3i8h h ARG 42 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3i8h h ARG 42 CO 0.00 0.34 0.00 1.63 0.56 0.00 0.00 179.97 182.50 3i8h n LYS 43 N -2.96 -0.76 0.26 0.04 5.02 0.35 -4.80 118.16 115.30 3i8h n LYS 43 Ca -0.07 0.19 0.06 0.00 -2.02 0.00 0.00 58.31 56.47 3i8h n LYS 43 Cb 0.82 -4.25 0.35 0.00 -0.02 0.00 0.00 35.03 31.93 3i8h n LYS 43 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3i8h h THR 44 N 0.00 0.00 -3.94 -0.18 1.35 -1.92 -3.39 112.91 104.82 3i8h h THR 44 Ca 0.00 0.00 -0.31 0.00 -0.55 0.00 0.00 66.41 65.55 3i8h h THR 44 Cb 0.38 0.28 -0.25 0.00 -1.73 0.00 0.00 68.15 66.83 3i8h h THR 44 CO 0.00 0.00 -0.75 -0.89 -0.25 0.00 0.00 175.52 173.63 3i8h s THR 45 N -3.66 0.52 -1.00 6.82 2.01 -1.26 -5.00 115.64 114.07 3i8h s THR 45 Ca -0.01 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.33 3i8h s THR 45 Cb 0.04 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 72.04 3i8h s THR 45 CO 0.12 -0.11 0.85 -0.81 -0.69 0.00 0.00 174.62 173.98 3i8h n PRO 46 N 2.23 0.00 -1.16 4.92 -0.04 -1.26 -0.22 135.00 139.47 3i8h n PRO 46 Ca -0.18 0.37 -0.26 0.00 -0.04 0.00 0.00 63.50 63.39 3i8h n PRO 46 Cb 0.56 -1.56 0.12 0.00 -0.04 0.00 0.00 33.50 32.58 3i8h n PRO 46 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3i8h n ASP 47 N -1.35 5.44 -0.24 3.54 8.00 -1.26 -4.69 116.55 125.99 3i8h n ASP 47 Ca 0.00 -3.52 0.00 0.00 0.71 0.00 0.00 54.79 51.98 3i8h n ASP 47 Cb 0.06 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 3i8h n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 3i8h n TRP 48 N -0.81 0.00 0.00 1.24 4.27 0.70 -4.28 117.44 118.56 3i8h n TRP 48 Ca 0.54 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 54.15 3i8h n TRP 48 Cb 1.12 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 31.06 3i8h n TRP 48 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 3i8h n LEU 49 N -0.08 0.00 -4.72 5.67 7.94 -1.26 -3.16 117.00 121.38 3i8h n LEU 49 Ca 0.00 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.55 3i8h n LEU 49 Cb 0.03 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.89 3i8h n LEU 49 CO 0.00 0.00 -0.21 -0.75 -1.11 0.00 0.00 177.39 175.32 3i8h s LYS 50 N 0.00 3.91 0.13 1.96 2.36 -1.21 -4.97 119.74 121.92 3i8h s LYS 50 Ca 0.00 -0.26 0.03 0.00 -2.55 0.00 0.00 55.97 53.19 3i8h s LYS 50 Cb 0.00 -3.27 -0.04 0.00 -1.05 0.00 0.00 37.83 33.47 3i8h s LYS 50 CO 0.00 0.40 -0.07 0.08 1.55 0.00 0.00 175.35 177.32 3i8h s VAL 51 N 0.03 0.85 -0.61 4.02 1.01 -1.26 -0.50 120.40 123.94 3i8h s VAL 51 Ca 0.08 -1.98 0.05 0.00 0.00 0.00 0.00 61.98 60.13 3i8h s VAL 51 Cb -0.12 -1.81 0.19 0.00 0.00 0.00 0.00 36.38 34.65 3i8h s VAL 51 CO 0.00 -0.77 0.52 -0.67 0.00 0.00 0.00 175.10 174.18 3i8h n ASP 52 N -0.13 2.27 -0.31 3.32 4.64 -1.14 -4.89 116.55 120.31 3i8h n ASP 52 Ca -0.11 -3.06 0.17 0.00 -1.38 0.00 0.00 54.79 50.42 3i8h n ASP 52 Cb 0.61 -0.69 0.36 0.00 -1.04 0.00 0.00 41.12 40.36 3i8h n ASP 52 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 3i8h h VAL 53 N 4.02 0.31 -0.96 5.18 -1.51 -1.90 0.20 116.25 121.59 3i8h h VAL 53 Ca 0.18 -0.09 0.33 0.00 -1.23 0.00 0.00 66.70 65.89 3i8h h VAL 53 Cb 0.77 0.03 -0.18 0.00 -2.13 0.00 0.00 31.29 29.79 3i8h h VAL 53 CO 0.65 0.05 0.26 1.21 -1.23 0.00 0.00 177.57 178.51 3i8h n GLU 54 N -5.16 -0.07 -0.11 5.19 0.00 -1.26 0.23 120.64 119.46 3i8h n GLU 54 Ca 0.25 1.38 -0.22 0.00 0.00 0.00 0.00 57.16 58.57 3i8h n GLU 54 Cb 0.79 -2.32 -0.11 0.00 0.00 0.00 0.00 31.44 29.80 3i8h n GLU 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3i8h n ARG 55 N -5.30 0.56 -0.56 5.31 5.12 0.58 -3.82 116.66 118.56 3i8h n ARG 55 Ca 0.29 0.55 0.46 0.00 -1.93 0.00 0.00 57.85 57.22 3i8h n ARG 55 Cb 0.97 -1.72 0.77 0.00 -1.16 0.00 0.00 32.46 31.32 3i8h n ARG 55 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i8h h ALA 56 N -0.56 3.46 0.21 7.54 0.00 -0.16 0.88 119.26 130.64 3i8h h ALA 56 Ca -0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3i8h h ALA 56 Cb 1.30 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3i8h h ALA 56 CO -0.22 -1.98 -0.10 0.00 0.00 0.00 0.00 179.25 176.95 3i8h h ARG 57 N 0.02 -0.27 -0.96 0.00 2.47 -0.35 -1.67 114.38 113.63 3i8h h ARG 57 Ca 0.82 0.02 0.10 0.00 -1.26 0.00 0.00 59.98 59.66 3i8h h ARG 57 Cb 3.15 0.06 -0.12 0.00 -1.65 0.00 0.00 29.97 31.41 3i8h h ARG 57 CO -0.09 -0.18 -0.52 0.98 0.56 0.00 0.00 179.97 180.72 3i8h n TYR 58 N -2.81 -0.32 -0.21 3.04 4.19 0.30 -0.59 117.16 120.75 3i8h n TYR 58 Ca -0.03 1.19 0.01 0.00 3.31 0.00 0.00 57.90 62.38 3i8h n TYR 58 Cb 0.11 -0.64 0.26 0.00 0.49 0.00 0.00 39.34 39.56 3i8h n TYR 58 CO 0.00 0.00 0.00 -1.49 0.91 0.00 0.00 176.86 176.28 3i8h h TRP 59 N 0.00 0.93 -0.06 2.98 -0.00 -1.43 -0.88 115.95 117.49 3i8h h TRP 59 Ca 0.19 0.02 -0.09 0.00 -0.00 0.00 0.00 58.89 59.01 3i8h h TRP 59 Cb 0.43 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.16 29.27 3i8h h TRP 59 CO -0.95 0.58 -0.39 -0.07 -0.00 0.00 0.00 178.44 177.60 3i8h h LEU 60 N 0.99 0.12 -0.70 -4.49 3.38 0.16 0.23 115.31 115.00 3i8h h LEU 60 Ca 0.28 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 3i8h h LEU 60 Cb -0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3i8h h LEU 60 CO -0.06 0.51 -0.58 0.77 0.09 0.00 0.00 178.44 179.16 3i8h h SER 61 N 0.10 0.25 0.91 -0.43 4.64 0.41 -3.26 113.55 116.18 3i8h h SER 61 Ca 0.01 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3i8h h SER 61 Cb 0.74 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3i8h h SER 61 CO 0.06 0.78 -0.75 -0.37 -0.87 0.00 0.00 176.83 175.67 3i8h h VAL 62 N 0.17 0.00 0.00 0.95 -1.51 -1.14 -3.48 116.25 111.25 3i8h h VAL 62 Ca -0.00 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 3i8h h VAL 62 Cb 1.07 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 3i8h h VAL 62 CO 0.09 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.04 3i8h n GLY 63 N 1.28 -0.21 3.65 5.19 0.00 -0.85 -5.10 105.19 109.15 3i8h n GLY 63 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 3i8h n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8h n ALA 64 N 0.00 0.61 -3.95 4.61 0.00 0.75 -4.77 120.51 117.76 3i8h n ALA 64 Ca 0.00 0.43 -0.30 0.00 0.00 0.00 0.00 53.44 53.56 3i8h n ALA 64 Cb 0.00 -2.21 -0.15 0.00 0.00 0.00 0.00 19.45 17.09 3i8h n ALA 64 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3i8h s GLN 65 N -0.36 1.53 0.36 0.00 -1.52 -1.21 -4.68 119.66 113.78 3i8h s GLN 65 Ca 0.70 -2.01 -0.27 0.00 -1.95 0.00 0.00 55.36 51.83 3i8h s GLN 65 Cb -0.71 -3.05 -0.09 0.00 -0.22 0.00 0.00 33.01 28.94 3i8h s GLN 65 CO 0.50 -1.01 1.17 -1.25 -0.25 0.00 0.00 175.29 174.45 3i8h s PRO 66 N 0.60 4.27 1.03 2.91 0.04 -1.26 -3.82 135.00 138.76 3i8h s PRO 66 Ca 0.13 1.87 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 3i8h s PRO 66 Cb -0.21 -2.87 0.21 0.00 0.04 0.00 0.00 34.50 31.67 3i8h s PRO 66 CO -0.07 -0.14 1.07 0.99 0.04 0.00 0.00 177.00 178.89 3i8h s THR 67 N -1.32 2.17 0.00 1.26 2.01 -1.05 -4.66 115.64 114.06 3i8h s THR 67 Ca 0.52 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.58 3i8h s THR 67 Cb -0.32 -2.38 0.00 0.00 0.01 0.00 0.00 72.50 69.81 3i8h s THR 67 CO 0.41 -0.07 0.79 0.47 -0.69 0.00 0.00 174.62 175.52 3i8h n ASP 68 N -4.36 0.00 -0.30 3.53 8.00 -1.26 -0.55 116.55 121.60 3i8h n ASP 68 Ca 0.05 0.79 0.00 0.00 0.71 0.00 0.00 54.79 56.34 3i8h n ASP 68 Cb 0.56 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 3i8h n ASP 68 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3i8h n THR 69 N -1.49 0.00 -0.10 -3.53 5.66 -1.26 0.25 114.28 113.81 3i8h n THR 69 Ca 0.00 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 3i8h n THR 69 Cb 0.00 -0.20 -0.08 0.00 -1.55 0.00 0.00 70.33 68.50 3i8h n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i8h n ALA 70 N 0.09 1.66 -0.04 1.79 0.00 -0.42 -4.15 120.51 119.43 3i8h n ALA 70 Ca 0.00 -0.80 -0.14 0.00 0.00 0.00 0.00 53.44 52.51 3i8h n ALA 70 Cb 0.01 0.16 -0.08 0.00 0.00 0.00 0.00 19.45 19.54 3i8h n ALA 70 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i8h h ARG 71 N -0.38 0.31 -0.92 0.00 2.43 0.24 -2.41 114.38 113.65 3i8h h ARG 71 Ca -0.47 -0.19 0.29 0.00 -0.81 0.00 0.00 59.98 58.80 3i8h h ARG 71 Cb 1.54 0.02 -0.17 0.00 -0.42 0.00 0.00 29.97 30.94 3i8h h ARG 71 CO -0.19 0.78 0.16 -2.13 -1.51 0.00 0.00 179.97 177.08 3i8h n ARG 72 N -4.54 -0.07 0.11 0.20 0.00 0.06 0.27 116.66 112.69 3i8h n ARG 72 Ca -0.07 1.35 -0.02 0.00 -0.00 0.00 0.00 57.85 59.10 3i8h n ARG 72 Cb 0.40 -2.22 0.03 0.00 0.00 0.00 0.00 32.46 30.67 3i8h n ARG 72 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 3i8h h LEU 73 N 0.00 0.00 -0.26 6.15 3.38 -1.68 -2.73 115.31 120.18 3i8h h LEU 73 Ca 0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.60 3i8h h LEU 73 Cb 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 3i8h h LEU 73 CO -0.82 0.74 0.00 -0.07 0.09 0.00 0.00 178.44 178.38 3i8h h LEU 74 N 0.00 0.00 0.23 1.67 3.38 0.42 -3.23 115.31 117.78 3i8h h LEU 74 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3i8h h LEU 74 Cb 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.19 3i8h h LEU 74 CO 0.10 0.00 -0.11 -0.09 0.09 0.00 0.00 178.44 178.43 3i8h h ARG 75 N 0.00 -0.29 -1.91 1.13 2.43 0.78 -2.47 114.38 114.06 3i8h h ARG 75 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3i8h h ARG 75 Cb 0.77 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3i8h h ARG 75 CO 0.00 -0.19 0.00 0.94 -1.51 0.00 0.00 179.97 179.21 3i8h n GLN 76 N -4.46 0.22 0.00 0.20 7.27 -1.04 -0.10 117.38 119.47 3i8h n GLN 76 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.03 3i8h n GLN 76 Cb 0.12 -1.39 0.00 0.00 2.41 0.00 0.00 30.24 31.38 3i8h n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3i8h n ALA 77 N 1.46 0.00 -2.56 1.69 0.00 -1.22 -5.00 120.51 114.87 3i8h n ALA 77 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3i8h n ALA 77 Cb 0.11 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.57 3i8h n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8h n GLY 78 N 0.00 0.36 0.15 0.00 0.00 0.86 -4.90 105.19 101.65 3i8h n GLY 78 Ca 0.00 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.65 3i8h n GLY 78 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i8h h VAL 79 N -0.51 0.00 -0.12 1.61 2.07 -1.64 -3.31 116.25 114.36 3i8h h VAL 79 Ca -0.16 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.39 3i8h h VAL 79 Cb 1.11 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3i8h h VAL 79 CO 0.17 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.25 3i8h n PHE 80 N -2.80 0.14 -2.97 1.57 3.01 -1.26 -4.95 117.46 110.20 3i8h n PHE 80 Ca 0.02 -0.14 -0.42 0.00 1.01 0.00 0.00 57.45 57.92 3i8h n PHE 80 Cb 0.54 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 39.95 3i8h n PHE 80 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3i8h s ARG 81 N -1.02 3.95 0.00 -1.08 0.52 -1.25 -4.91 118.95 115.16 3i8h s ARG 81 Ca 0.18 0.53 0.23 0.00 -0.52 0.00 0.00 55.73 56.15 3i8h s ARG 81 Cb 0.11 -3.73 0.06 0.00 0.52 0.00 0.00 34.95 31.91 3i8h s ARG 81 CO 0.16 -0.66 1.13 0.00 0.02 0.00 0.00 175.30 175.95 3i8h n GLN 82 N 6.15 1.07 0.00 3.54 10.64 -1.26 -5.06 117.38 132.46 3i8h n GLN 82 Ca 0.03 -0.87 0.00 0.00 -1.83 0.00 0.00 57.00 54.33 3i8h n GLN 82 Cb 0.48 -1.48 0.00 0.00 -0.86 0.00 0.00 30.24 28.38 3i8h n GLN 82 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 3i8h n GLU 83 N -0.21 0.00 0.00 2.61 4.07 -1.26 -5.29 120.64 120.56 3i8h n GLU 83 Ca 0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 3i8h n GLU 83 Cb 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.83 3i8h n GLU 83 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07