#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h2u s LEU 5 N 0.00 2.62 -0.05 0.99 1.02 -1.26 -5.16 118.68 116.84 1h2u s LEU 5 Ca 0.00 -1.49 0.03 0.00 0.02 0.00 0.00 54.13 52.69 1h2u s LEU 5 Cb 0.00 -0.81 0.00 0.00 0.02 0.00 0.00 46.19 45.40 1h2u s LEU 5 CO 0.00 -0.62 -0.14 -0.76 0.02 0.00 0.00 176.35 174.84 1h2u s LEU 6 N -3.77 1.82 0.30 1.79 1.43 -1.26 -5.04 118.68 113.95 1h2u s LEU 6 Ca 0.23 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1h2u s LEU 6 Cb 0.06 -0.85 0.48 0.00 0.03 0.00 0.00 46.19 45.91 1h2u s LEU 6 CO 0.12 0.10 1.85 0.50 0.23 0.00 0.00 176.35 179.15 1h2u h LYS 7 N 6.48 0.73 -0.76 1.70 3.64 -2.01 -2.89 116.57 123.46 1h2u h LYS 7 Ca -0.32 -0.14 0.05 0.00 -1.27 0.00 0.00 60.65 58.96 1h2u h LYS 7 Cb 1.18 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 1h2u h LYS 7 CO 0.48 0.67 0.50 0.00 -2.27 0.00 0.00 179.45 178.83 1h2u h ALA 8 N 1.41 1.59 0.00 5.00 0.00 -2.02 -1.75 119.26 123.50 1h2u h ALA 8 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1h2u h ALA 8 Cb 0.28 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1h2u h ALA 8 CO -0.00 0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.84 1h2u n LEU 9 N -4.46 0.00 0.12 0.00 4.77 -1.09 -3.03 117.00 113.30 1h2u n LEU 9 Ca 0.10 0.38 0.13 0.00 -0.03 0.00 0.00 56.01 56.58 1h2u n LEU 9 Cb 0.16 -0.38 0.28 0.00 -2.33 0.00 0.00 43.42 41.16 1h2u n LEU 9 CO 0.34 -0.06 0.70 0.03 -1.33 0.00 0.00 177.39 177.07 1h2u h ARG 10 N 0.00 0.00 -6.09 3.23 3.08 -1.38 -3.47 114.38 109.74 1h2u h ARG 10 Ca 0.00 0.00 -0.79 0.00 0.07 0.00 0.00 59.98 59.26 1h2u h ARG 10 Cb 0.31 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.38 1h2u h ARG 10 CO 0.00 0.00 0.68 0.45 -1.07 0.00 0.00 179.97 180.03 1h2u n SER 11 N -2.41 1.61 -3.00 7.04 2.88 -1.17 -4.88 113.62 113.70 1h2u n SER 11 Ca 0.04 1.13 -0.14 0.00 -1.33 0.00 0.00 58.87 58.57 1h2u n SER 11 Cb 0.46 -1.03 0.02 0.00 -0.75 0.00 0.00 64.21 62.91 1h2u n SER 11 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1h2u n ASP 12 N 4.11 -0.26 0.15 -3.46 2.03 -1.26 -5.00 116.55 112.86 1h2u n ASP 12 Ca 0.26 -3.21 0.14 0.00 0.52 0.00 0.00 54.79 52.51 1h2u n ASP 12 Cb 0.06 0.27 0.69 0.00 -0.72 0.00 0.00 41.12 41.43 1h2u n ASP 12 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1h2u h SER 13 N 2.97 0.00 0.92 1.67 4.64 -1.99 -2.41 113.55 119.35 1h2u h SER 13 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1h2u h SER 13 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1h2u h SER 13 CO 0.36 0.00 0.00 1.88 -0.87 0.00 0.00 176.83 178.20 1h2u h TYR 14 N 0.00 0.00 -0.03 4.77 -1.99 -1.94 -2.88 116.97 114.90 1h2u h TYR 14 Ca 0.11 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.84 1h2u h TYR 14 Cb 0.45 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.18 1h2u h TYR 14 CO 0.00 0.00 -0.08 0.28 -0.00 0.00 0.00 178.16 178.36 1h2u n VAL 15 N -2.59 0.00 -2.00 -2.88 0.31 -0.91 -4.55 118.33 105.71 1h2u n VAL 15 Ca 0.02 -0.42 -0.33 0.00 -0.01 0.00 0.00 64.34 63.60 1h2u n VAL 15 Cb 0.28 1.31 0.02 0.00 -0.91 0.00 0.00 33.84 34.53 1h2u n VAL 15 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1h2u s GLU 16 N -2.09 3.22 0.60 5.55 2.02 -1.09 -5.01 118.70 121.90 1h2u s GLU 16 Ca 0.28 1.27 -0.18 0.00 0.02 0.00 0.00 54.97 56.35 1h2u s GLU 16 Cb 0.20 -2.02 -0.03 0.00 0.10 0.00 0.00 34.13 32.38 1h2u s GLU 16 CO 0.35 -0.90 1.15 -0.51 0.02 0.00 0.00 175.26 175.38 1h2u s LEU 17 N -4.52 3.61 0.00 1.80 1.43 -1.26 -4.94 118.68 114.80 1h2u s LEU 17 Ca 0.65 2.22 0.00 0.00 -1.03 0.00 0.00 54.13 55.96 1h2u s LEU 17 Cb -0.17 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.47 1h2u s LEU 17 CO 0.37 -1.50 0.00 -1.54 0.23 0.00 0.00 176.35 173.91 1h2u n SER 18 N -1.74 0.00 0.11 2.29 3.41 -1.26 -5.02 113.62 111.41 1h2u n SER 18 Ca 0.12 -0.89 -0.01 0.00 -0.26 0.00 0.00 58.87 57.83 1h2u n SER 18 Cb 0.51 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.46 1h2u n SER 18 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1h2u h GLN 19 N 0.00 0.00 -6.72 4.33 1.08 -2.03 -3.47 115.11 108.30 1h2u h GLN 19 Ca 0.00 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.63 1h2u h GLN 19 Cb 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 27.48 27.54 1h2u h GLN 19 CO 0.00 0.70 0.47 0.98 -0.95 0.00 0.00 178.83 180.02 1h2u n TYR 20 N -3.34 2.17 -3.73 2.96 9.36 -1.26 -5.02 117.16 118.30 1h2u n TYR 20 Ca 0.01 0.57 -0.12 0.00 3.32 0.00 0.00 57.90 61.67 1h2u n TYR 20 Cb 0.79 -2.40 -0.13 0.00 -0.63 0.00 0.00 39.34 36.97 1h2u n TYR 20 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1h2u s ARG 21 N -1.86 0.20 -0.29 2.98 1.81 -1.26 -5.11 118.95 115.42 1h2u s ARG 21 Ca 0.56 0.52 -0.29 0.00 -1.72 0.00 0.00 55.73 54.81 1h2u s ARG 21 Cb -0.58 -0.12 -0.02 0.00 -0.45 0.00 0.00 34.95 33.78 1h2u s ARG 21 CO 0.62 -0.16 1.73 0.34 -0.68 0.00 0.00 175.30 177.15 1h2u s ASP 22 N 1.24 6.07 0.00 0.23 2.15 -1.26 -4.84 116.67 120.26 1h2u s ASP 22 Ca -0.09 1.41 0.19 0.00 0.43 0.00 0.00 52.55 54.49 1h2u s ASP 22 Cb -0.10 -2.53 1.15 0.00 -0.30 0.00 0.00 42.92 41.13 1h2u s ASP 22 CO -0.08 -1.54 1.54 1.67 -0.17 0.00 0.00 175.17 176.58 1h2u n GLN 23 N 8.16 0.62 -0.00 4.34 -0.06 -1.26 -2.08 117.38 127.09 1h2u n GLN 23 Ca 0.21 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.27 1h2u n GLN 23 Cb 0.46 -1.49 -0.07 0.00 -4.06 0.00 0.00 30.24 25.08 1h2u n GLN 23 CO 0.00 0.00 0.00 1.58 -0.20 0.00 0.00 177.06 178.44 1h2u n HIS 24 N -0.99 0.00 -1.62 3.69 -0.00 -1.26 -5.00 115.22 110.03 1h2u n HIS 24 Ca 0.14 0.00 -0.53 0.00 0.46 0.00 0.00 57.72 57.79 1h2u n HIS 24 Cb 0.07 -0.11 -0.06 0.00 -0.12 0.00 0.00 29.99 29.76 1h2u n HIS 24 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1h2u n PHE 25 N -1.54 1.69 -2.71 1.57 7.35 -0.89 -4.84 117.46 118.10 1h2u n PHE 25 Ca 0.00 0.58 -0.43 0.00 -0.76 0.00 0.00 57.45 56.84 1h2u n PHE 25 Cb 0.22 -2.38 0.00 0.00 0.35 0.00 0.00 39.48 37.68 1h2u n PHE 25 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1h2u n ARG 26 N 3.34 3.34 0.00 -4.13 3.00 -1.26 -4.90 116.66 116.05 1h2u n ARG 26 Ca 0.20 -3.61 0.00 0.00 -0.01 0.00 0.00 57.85 54.44 1h2u n ARG 26 Cb 0.18 -3.14 0.00 0.00 0.00 0.00 0.00 32.46 29.50 1h2u n ARG 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1h2u n GLY 27 N 4.20 -0.73 3.73 -0.13 0.00 -1.26 -5.12 105.19 105.87 1h2u n GLY 27 Ca 0.41 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1h2u n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h2u s ASP 28 N 0.00 6.98 0.38 1.61 2.15 -1.26 -4.90 116.67 121.63 1h2u s ASP 28 Ca 0.00 2.26 0.18 0.00 0.43 0.00 0.00 52.55 55.42 1h2u s ASP 28 Cb 0.00 -2.60 1.11 0.00 -0.30 0.00 0.00 42.92 41.13 1h2u s ASP 28 CO 0.00 -0.49 1.72 -1.13 -0.17 0.00 0.00 175.17 175.10 1h2u h ASN 29 N 5.81 0.47 -0.67 -0.34 -0.73 -1.99 0.68 115.58 118.81 1h2u h ASN 29 Ca -0.44 0.12 0.05 0.00 1.87 0.00 0.00 56.30 57.90 1h2u h ASN 29 Cb 1.21 0.06 -0.05 0.00 0.27 0.00 0.00 38.32 39.81 1h2u h ASN 29 CO 0.79 0.01 0.39 -0.08 -0.37 0.00 0.00 177.43 178.16 1h2u h GLU 30 N 0.37 0.71 0.00 6.67 4.57 -2.00 -0.19 114.58 124.71 1h2u h GLU 30 Ca 0.67 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.78 1h2u h GLU 30 Cb 1.66 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 30.08 1h2u h GLU 30 CO -0.40 0.47 -0.11 0.93 -1.18 0.00 0.00 179.01 178.72 1h2u h GLU 31 N 0.73 0.00 0.04 1.92 4.39 -0.04 -0.96 114.58 120.65 1h2u h GLU 31 Ca 0.29 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.85 1h2u h GLU 31 Cb 0.14 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1h2u h GLU 31 CO -0.16 0.11 -0.59 0.37 -1.16 0.00 0.00 179.01 177.58 1h2u h GLN 32 N 0.00 0.34 -0.34 2.33 4.15 -0.11 -2.76 115.11 118.71 1h2u h GLN 32 Ca -0.00 -0.41 -0.09 0.00 0.77 0.00 0.00 58.65 58.92 1h2u h GLN 32 Cb 0.62 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1h2u h GLN 32 CO 0.01 1.11 -0.16 0.93 -1.93 0.00 0.00 178.83 178.80 1h2u h GLU 33 N -0.25 0.62 -0.80 1.69 5.08 -1.03 -0.21 114.58 119.68 1h2u h GLU 33 Ca -0.08 -0.21 0.05 0.00 -1.00 0.00 0.00 59.36 58.12 1h2u h GLU 33 Cb 1.35 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.50 1h2u h GLU 33 CO 0.12 0.75 0.52 -0.22 -1.00 0.00 0.00 179.01 179.18 1h2u h LYS 34 N 0.56 0.89 0.12 2.33 3.64 -1.19 -0.93 116.57 121.99 1h2u h LYS 34 Ca 0.09 -0.05 -0.29 0.00 -1.27 0.00 0.00 60.65 59.12 1h2u h LYS 34 Cb 0.59 -0.20 0.03 0.00 -0.41 0.00 0.00 32.23 32.24 1h2u h LYS 34 CO 0.04 0.59 -1.22 -0.07 -2.27 0.00 0.00 179.45 176.52 1h2u h LEU 35 N 0.92 0.87 -1.50 5.20 3.38 -1.09 -3.28 115.31 119.81 1h2u h LEU 35 Ca 0.33 -0.83 0.05 0.00 0.09 0.00 0.00 57.88 57.53 1h2u h LEU 35 Cb 0.15 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1h2u h LEU 35 CO -0.11 1.61 0.40 -0.07 0.09 0.00 0.00 178.44 180.35 1h2u h LEU 36 N 0.24 0.54 -0.26 1.67 3.38 -0.36 -0.50 115.31 120.02 1h2u h LEU 36 Ca -0.19 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1h2u h LEU 36 Cb 1.90 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1h2u h LEU 36 CO 0.23 0.36 0.00 0.29 0.09 0.00 0.00 178.44 179.42 1h2u n LYS 37 N -4.47 0.19 0.00 1.13 5.02 -0.42 -3.18 118.16 116.43 1h2u n LYS 37 Ca 0.08 0.27 0.01 0.00 -2.02 0.00 0.00 58.31 56.66 1h2u n LYS 37 Cb 0.20 -1.78 0.01 0.00 -0.02 0.00 0.00 35.03 33.44 1h2u n LYS 37 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1h2u n LYS 38 N -2.12 1.00 -1.77 1.97 4.01 -0.88 -5.07 118.16 115.31 1h2u n LYS 38 Ca 0.04 -0.50 -0.36 0.00 -0.51 0.00 0.00 58.31 56.98 1h2u n LYS 38 Cb 0.33 -0.94 0.06 0.00 -0.51 0.00 0.00 35.03 33.97 1h2u n LYS 38 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1h2u s SER 39 N -0.45 4.67 0.00 4.39 0.15 -0.25 -4.91 113.70 117.31 1h2u s SER 39 Ca 0.02 2.55 0.02 0.00 0.70 0.00 0.00 55.95 59.24 1h2u s SER 39 Cb 0.02 -2.61 0.03 0.00 -1.71 0.00 0.00 66.02 61.74 1h2u s SER 39 CO 0.05 -1.95 0.78 0.00 1.20 0.00 0.00 173.24 173.31 1h2u s THR 41 N -0.54 4.62 0.05 0.00 2.01 -1.26 -0.95 115.64 119.57 1h2u s THR 41 Ca 0.03 -0.16 0.08 0.00 0.31 0.00 0.00 61.69 61.95 1h2u s THR 41 Cb 0.01 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 1h2u s THR 41 CO 0.02 0.59 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.55 1h2u s LEU 42 N -0.98 2.17 -0.09 4.42 1.43 0.55 -1.77 118.68 124.40 1h2u s LEU 42 Ca 0.14 -0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 52.59 1h2u s LEU 42 Cb -0.12 -1.08 -0.05 0.00 0.03 0.00 0.00 46.19 44.98 1h2u s LEU 42 CO 0.04 0.19 0.24 -0.47 0.23 0.00 0.00 176.35 176.57 1h2u s TYR 43 N -0.81 3.61 -0.08 0.29 5.04 0.14 -0.87 117.35 124.67 1h2u s TYR 43 Ca 0.09 0.66 0.04 0.00 -2.44 0.00 0.00 57.07 55.42 1h2u s TYR 43 Cb -0.09 -2.10 0.00 0.00 0.35 0.00 0.00 41.96 40.12 1h2u s TYR 43 CO 0.02 0.63 -0.22 0.08 -1.34 0.00 0.00 175.55 174.72 1h2u s VAL 44 N -0.80 1.85 0.36 3.14 1.01 0.51 -0.79 120.40 125.68 1h2u s VAL 44 Ca 0.17 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.31 1h2u s VAL 44 Cb -0.13 -1.60 -0.07 0.00 0.00 0.00 0.00 36.38 34.57 1h2u s VAL 44 CO 0.06 0.51 -0.02 -0.83 0.00 0.00 0.00 175.10 174.83 1h2u s GLY 45 N 0.29 2.24 -1.10 4.51 0.00 0.11 -1.94 107.32 111.43 1h2u s GLY 45 Ca -0.15 -2.14 -0.02 0.00 0.00 0.00 0.00 44.72 42.41 1h2u s GLY 45 CO 0.07 -1.99 0.27 -2.01 0.00 0.00 0.00 173.10 169.44 1h2u n ASN 46 N -0.81 -4.53 -4.85 1.64 5.15 -1.21 -2.30 115.26 108.34 1h2u n ASN 46 Ca -0.05 -0.13 -0.31 0.00 -0.60 0.00 0.00 54.58 53.50 1h2u n ASN 46 Cb 0.65 -3.50 0.04 0.00 -0.53 0.00 0.00 39.78 36.44 1h2u n ASN 46 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1h2u s LEU 47 N -4.45 3.01 0.47 1.20 1.43 -0.85 -4.71 118.68 114.78 1h2u s LEU 47 Ca 0.13 1.36 -0.13 0.00 -1.03 0.00 0.00 54.13 54.47 1h2u s LEU 47 Cb -0.06 -4.23 -0.07 0.00 0.03 0.00 0.00 46.19 41.86 1h2u s LEU 47 CO 0.17 -1.31 0.89 -0.55 0.23 0.00 0.00 176.35 175.77 1h2u s SER 48 N -4.10 6.53 0.30 2.29 0.15 -1.26 -4.55 113.70 113.05 1h2u s SER 48 Ca 0.57 1.34 0.25 0.00 0.70 0.00 0.00 55.95 58.82 1h2u s SER 48 Cb -0.12 -2.41 0.98 0.00 -1.71 0.00 0.00 66.02 62.75 1h2u s SER 48 CO 0.54 -0.53 1.76 -0.26 1.20 0.00 0.00 173.24 175.95 1h2u h PHE 49 N 0.94 0.00 -0.41 3.44 0.05 -1.28 -2.35 116.94 117.33 1h2u h PHE 49 Ca -0.47 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.32 1h2u h PHE 49 Cb 1.19 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.14 1h2u h PHE 49 CO 0.62 0.00 0.00 0.66 -0.18 0.00 0.00 178.31 179.41 1h2u n TYR 50 N -2.39 0.53 -2.63 -0.55 4.01 -1.26 -4.70 117.16 110.17 1h2u n TYR 50 Ca 0.03 -0.27 -0.43 0.00 -0.16 0.00 0.00 57.90 57.07 1h2u n TYR 50 Cb 0.29 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.30 1h2u n TYR 50 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1h2u s THR 51 N -1.47 4.63 0.50 -0.72 2.01 -0.89 -5.02 115.64 114.70 1h2u s THR 51 Ca 0.38 1.95 -0.03 0.00 0.31 0.00 0.00 61.69 64.31 1h2u s THR 51 Cb 0.22 -4.26 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 1h2u s THR 51 CO 0.30 -0.13 0.77 0.42 -0.69 0.00 0.00 174.62 175.30 1h2u s THR 52 N 2.93 4.06 0.31 -0.82 -4.23 -1.26 -4.94 115.64 111.69 1h2u s THR 52 Ca 0.47 -0.19 0.03 0.00 -1.18 0.00 0.00 61.69 60.81 1h2u s THR 52 Cb -0.17 -3.55 0.13 0.00 1.34 0.00 0.00 72.50 70.25 1h2u s THR 52 CO 0.10 -0.48 1.82 -0.08 -0.54 0.00 0.00 174.62 175.44 1h2u h GLU 53 N 0.17 0.57 -0.80 3.99 4.81 -1.99 -2.66 114.58 118.67 1h2u h GLU 53 Ca -0.46 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 58.57 1h2u h GLU 53 Cb 1.24 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1h2u h GLU 53 CO 0.59 0.64 0.32 0.93 -0.73 0.00 0.00 179.01 180.76 1h2u h GLU 54 N 0.53 1.19 -0.52 1.92 3.07 -1.99 -0.89 114.58 117.89 1h2u h GLU 54 Ca 0.11 -0.22 -0.05 0.00 -0.50 0.00 0.00 59.36 58.70 1h2u h GLU 54 Cb 0.43 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1h2u h GLU 54 CO 0.02 0.97 0.15 1.96 -1.40 0.00 0.00 179.01 180.71 1h2u h GLN 55 N 1.16 0.82 -0.29 2.33 4.20 -1.88 -2.12 115.11 119.33 1h2u h GLN 55 Ca 0.26 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 1h2u h GLN 55 Cb 0.22 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1h2u h GLN 55 CO -0.02 0.77 0.01 0.82 -0.67 0.00 0.00 178.83 179.74 1h2u h ILE 56 N 0.72 1.17 -0.26 2.54 2.04 -1.14 -2.20 117.51 120.38 1h2u h ILE 56 Ca 0.17 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 1h2u h ILE 56 Cb 0.30 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1h2u h ILE 56 CO -0.00 0.23 -0.03 1.88 0.00 0.00 0.00 178.15 180.22 1h2u h TYR 57 N 0.43 0.54 -0.47 1.37 0.05 -0.78 -1.70 116.97 116.40 1h2u h TYR 57 Ca 0.10 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 1h2u h TYR 57 Cb 0.26 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1h2u h TYR 57 CO 0.01 0.67 0.28 1.49 -1.05 0.00 0.00 178.16 179.56 1h2u h GLU 58 N 0.25 0.65 0.36 4.88 4.57 -1.05 -1.74 114.58 122.50 1h2u h GLU 58 Ca 0.07 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1h2u h GLU 58 Cb 0.48 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1h2u h GLU 58 CO 0.02 0.49 -0.17 1.25 -1.18 0.00 0.00 179.01 179.41 1h2u h LEU 59 N 0.63 -0.40 -0.97 1.64 5.85 -1.40 -3.31 115.31 117.34 1h2u h LEU 59 Ca 0.17 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1h2u h LEU 59 Cb 0.01 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1h2u h LEU 59 CO -0.03 0.03 0.00 -0.26 -0.34 0.00 0.00 178.44 177.84 1h2u h PHE 60 N -0.96 0.00 0.00 1.25 -1.00 -1.36 -2.59 116.94 112.28 1h2u h PHE 60 Ca -0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.73 1h2u h PHE 60 Cb 0.52 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.08 1h2u h PHE 60 CO 0.03 0.00 0.00 0.43 -1.61 0.00 0.00 178.31 177.16 1h2u n SER 61 N -2.38 0.72 0.30 2.17 7.64 -0.65 -2.91 113.62 118.50 1h2u n SER 61 Ca 0.01 0.65 0.17 0.00 1.01 0.00 0.00 58.87 60.71 1h2u n SER 61 Cb 0.21 -0.81 0.92 0.00 -1.01 0.00 0.00 64.21 63.51 1h2u n SER 61 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1h2u h LYS 62 N 0.00 0.00 -0.02 1.43 1.57 -1.62 -2.08 116.57 115.86 1h2u h LYS 62 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h2u h LYS 62 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1h2u h LYS 62 CO 0.00 0.04 -0.33 -1.13 -0.57 0.00 0.00 179.45 177.46 1h2u n SER 63 N -3.46 2.08 0.00 0.86 3.41 -1.14 -5.07 113.62 110.29 1h2u n SER 63 Ca -0.02 -1.54 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 1h2u n SER 63 Cb 0.16 0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1h2u n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h2u n GLY 64 N 1.29 0.46 3.69 5.00 0.00 -0.78 -4.51 105.19 110.35 1h2u n GLY 64 Ca 0.09 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 1h2u n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h2u s ASP 65 N 0.00 7.14 -0.07 1.61 1.11 -1.26 -4.25 116.67 120.95 1h2u s ASP 65 Ca 0.00 1.77 -0.22 0.00 0.18 0.00 0.00 52.55 54.28 1h2u s ASP 65 Cb 0.00 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 1h2u s ASP 65 CO 0.00 -0.49 0.63 -0.63 1.18 0.00 0.00 175.17 175.86 1h2u s ILE 66 N 1.80 5.06 -0.11 0.77 1.01 -1.26 -3.19 121.20 125.29 1h2u s ILE 66 Ca 0.54 1.29 -0.18 0.00 0.00 0.00 0.00 60.65 62.29 1h2u s ILE 66 Cb -0.24 -3.97 -0.27 0.00 0.01 0.00 0.00 42.46 38.00 1h2u s ILE 66 CO 0.23 0.30 0.60 0.50 0.00 0.00 0.00 174.94 176.57 1h2u h LYS 67 N 6.58 0.21 -2.20 2.79 3.64 -1.05 -3.47 116.57 123.07 1h2u h LYS 67 Ca -0.42 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 58.58 1h2u h LYS 67 Cb 1.19 0.13 -0.18 0.00 -0.41 0.00 0.00 32.23 32.97 1h2u h LYS 67 CO 0.75 1.17 0.26 0.21 -2.27 0.00 0.00 179.45 179.57 1h2u s LYS 68 N -2.44 1.03 -0.04 1.90 2.20 -1.10 -5.04 119.74 116.25 1h2u s LYS 68 Ca -0.20 0.03 0.03 0.00 -0.36 0.00 0.00 55.97 55.47 1h2u s LYS 68 Cb 0.03 0.48 0.01 0.00 -1.51 0.00 0.00 37.83 36.84 1h2u s LYS 68 CO 0.75 -0.37 -0.12 0.42 -0.36 0.00 0.00 175.35 175.68 1h2u s ILE 69 N -1.92 1.03 -0.15 5.43 1.01 -1.26 -1.34 121.20 123.99 1h2u s ILE 69 Ca -0.06 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1h2u s ILE 69 Cb -0.00 -0.92 0.02 0.00 0.01 0.00 0.00 42.46 41.56 1h2u s ILE 69 CO 0.02 0.32 -0.18 -0.63 0.00 0.00 0.00 174.94 174.47 1h2u s ILE 70 N 0.35 1.85 0.28 2.92 1.01 -0.62 -4.99 121.20 122.00 1h2u s ILE 70 Ca -0.07 -0.82 -0.23 0.00 0.00 0.00 0.00 60.65 59.52 1h2u s ILE 70 Cb -0.12 -1.68 -0.09 0.00 0.01 0.00 0.00 42.46 40.58 1h2u s ILE 70 CO 0.02 0.51 0.84 -0.04 0.00 0.00 0.00 174.94 176.27 1h2u s MET 71 N 1.21 4.41 -0.08 2.79 -1.94 -1.26 -1.25 119.30 123.18 1h2u s MET 71 Ca 0.01 1.10 -0.28 0.00 -1.71 0.00 0.00 55.69 54.81 1h2u s MET 71 Cb -0.14 -2.81 -0.02 0.00 2.01 0.00 0.00 34.83 33.87 1h2u s MET 71 CO -0.09 0.32 0.95 0.20 -0.01 0.00 0.00 175.02 176.39 1h2u s GLY 72 N -1.66 2.49 0.12 -0.03 0.00 0.11 -4.89 107.32 103.46 1h2u s GLY 72 Ca 0.47 0.35 0.10 0.00 0.00 0.00 0.00 44.72 45.64 1h2u s GLY 72 CO 0.22 1.75 -0.23 1.08 0.00 0.00 0.00 173.10 175.92 1h2u s LEU 73 N 1.65 2.47 -0.03 0.66 1.43 0.24 -1.16 118.68 123.95 1h2u s LEU 73 Ca 0.47 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.62 1h2u s LEU 73 Cb -0.19 -1.36 -0.06 0.00 0.03 0.00 0.00 46.19 44.61 1h2u s LEU 73 CO 0.20 0.19 1.68 -0.62 0.23 0.00 0.00 176.35 178.02 1h2u s ASP 74 N -2.02 6.64 0.63 2.29 3.68 0.76 -1.63 116.67 127.02 1h2u s ASP 74 Ca 0.15 2.31 0.31 0.00 2.13 0.00 0.00 52.55 57.45 1h2u s ASP 74 Cb -0.10 -2.54 1.71 0.00 -1.45 0.00 0.00 42.92 40.54 1h2u s ASP 74 CO 0.07 -0.93 1.95 0.50 0.13 0.00 0.00 175.17 176.90 1h2u h LYS 75 N 9.42 0.00 0.00 4.34 3.64 -1.33 0.63 116.57 133.28 1h2u h LYS 75 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1h2u h LYS 75 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1h2u h LYS 75 CO 0.95 0.00 -0.55 -1.33 -2.27 0.00 0.00 179.45 176.24 1h2u n MET 76 N -2.84 0.29 0.00 1.90 2.81 -1.26 -4.63 117.12 113.39 1h2u n MET 76 Ca -0.02 0.12 0.15 0.00 -1.81 0.00 0.00 57.70 56.15 1h2u n MET 76 Cb 0.30 -1.02 0.84 0.00 -0.71 0.00 0.00 33.22 32.63 1h2u n MET 76 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1h2u n LYS 77 N -3.59 1.09 -3.04 0.03 2.85 -1.23 -4.93 118.16 109.34 1h2u n LYS 77 Ca -0.08 -0.20 -0.20 0.00 -1.05 0.00 0.00 58.31 56.78 1h2u n LYS 77 Cb 0.29 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.18 1h2u n LYS 77 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1h2u n LYS 78 N -0.78 -3.47 -3.78 -1.58 4.76 0.21 -4.94 118.16 108.58 1h2u n LYS 78 Ca 0.22 0.63 -0.24 0.00 -2.87 0.00 0.00 58.31 56.05 1h2u n LYS 78 Cb 0.17 -5.35 -0.02 0.00 -1.84 0.00 0.00 35.03 27.99 1h2u n LYS 78 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1h2u s THR 79 N -2.93 2.10 0.04 -0.18 -4.23 -1.26 -4.73 115.64 104.46 1h2u s THR 79 Ca 0.27 -1.45 -0.30 0.00 -1.18 0.00 0.00 61.69 59.03 1h2u s THR 79 Cb -0.14 -2.55 -0.08 0.00 1.34 0.00 0.00 72.50 71.08 1h2u s THR 79 CO 0.34 0.00 1.64 0.00 -0.54 0.00 0.00 174.62 176.05 1h2u s ALA 80 N -2.65 3.66 -0.69 3.99 0.00 -1.26 -0.17 121.76 124.64 1h2u s ALA 80 Ca 0.41 1.14 0.09 0.00 0.00 0.00 0.00 51.96 53.60 1h2u s ALA 80 Cb -0.02 -3.70 0.26 0.00 0.00 0.00 0.00 23.12 19.67 1h2u s ALA 80 CO 0.24 -1.14 1.22 0.00 0.00 0.00 0.00 175.76 176.08 1h2u n GLY 82 N 0.23 1.67 3.57 0.00 0.00 -1.26 -4.57 105.19 104.82 1h2u n GLY 82 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 1h2u n GLY 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1h2u s PHE 83 N -2.00 -0.33 0.34 1.61 -0.12 -1.26 -2.01 117.98 114.21 1h2u s PHE 83 Ca 0.00 0.11 -0.13 0.00 -0.05 0.00 0.00 56.93 56.86 1h2u s PHE 83 Cb 0.00 0.58 0.03 0.00 -0.63 0.00 0.00 43.02 43.00 1h2u s PHE 83 CO 0.00 -0.74 0.66 0.00 -0.05 0.00 0.00 175.22 175.09 1h2u s PHE 85 N -2.97 2.02 -0.21 0.00 0.40 -0.38 -0.37 117.98 116.47 1h2u s PHE 85 Ca 0.19 -0.86 -0.02 0.00 -0.60 0.00 0.00 56.93 55.65 1h2u s PHE 85 Cb -0.04 -1.41 0.01 0.00 0.51 0.00 0.00 43.02 42.09 1h2u s PHE 85 CO 0.12 -0.40 -0.11 0.08 0.70 0.00 0.00 175.22 175.62 1h2u s VAL 86 N 0.67 2.78 -0.18 -0.44 1.01 -0.05 -1.60 120.40 122.60 1h2u s VAL 86 Ca -0.13 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1h2u s VAL 86 Cb -0.16 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 1h2u s VAL 86 CO 0.03 0.43 -0.02 -0.70 0.00 0.00 0.00 175.10 174.84 1h2u s GLU 87 N 1.38 3.61 0.32 2.72 2.12 -0.45 -0.33 118.70 128.07 1h2u s GLU 87 Ca 0.05 -0.53 0.06 0.00 0.36 0.00 0.00 54.97 54.91 1h2u s GLU 87 Cb -0.14 -3.00 -0.01 0.00 0.26 0.00 0.00 34.13 31.24 1h2u s GLU 87 CO -0.07 0.09 0.46 0.71 -0.54 0.00 0.00 175.26 175.90 1h2u s TYR 88 N 0.78 3.15 0.04 5.30 2.02 -0.12 -0.46 117.35 128.06 1h2u s TYR 88 Ca -0.01 -0.19 0.09 0.00 -0.37 0.00 0.00 57.07 56.60 1h2u s TYR 88 Cb -0.14 -1.95 -0.14 0.00 -0.40 0.00 0.00 41.96 39.33 1h2u s TYR 88 CO 0.02 0.04 1.30 1.88 -1.57 0.00 0.00 175.55 177.22 1h2u h TYR 89 N 0.92 0.00 -4.06 2.71 0.05 -1.86 -3.44 116.97 111.29 1h2u h TYR 89 Ca -0.46 0.00 -0.42 0.00 0.05 0.00 0.00 58.73 57.90 1h2u h TYR 89 Cb 1.25 0.00 -0.27 0.00 1.01 0.00 0.00 36.73 38.72 1h2u h TYR 89 CO 0.43 0.86 -0.79 -1.54 -1.05 0.00 0.00 178.16 176.07 1h2u s SER 90 N -6.61 1.32 0.22 3.88 1.04 -1.26 -5.04 113.70 107.25 1h2u s SER 90 Ca 0.02 -0.29 -0.07 0.00 0.48 0.00 0.00 55.95 56.09 1h2u s SER 90 Cb 0.09 -0.12 0.35 0.00 0.10 0.00 0.00 66.02 66.45 1h2u s SER 90 CO 0.80 0.08 1.73 -0.09 0.98 0.00 0.00 173.24 176.74 1h2u h ARG 91 N 5.53 0.40 -1.00 4.02 9.65 -1.89 -2.09 114.38 129.01 1h2u h ARG 91 Ca -0.34 -0.02 0.14 0.00 -1.10 0.00 0.00 59.98 58.66 1h2u h ARG 91 Cb 1.18 -0.09 -0.09 0.00 -1.39 0.00 0.00 29.97 29.58 1h2u h ARG 91 CO 0.47 0.26 0.63 0.00 2.80 0.00 0.00 179.97 184.13 1h2u h ALA 92 N 1.48 1.58 0.00 2.80 0.00 -1.96 0.97 119.26 124.13 1h2u h ALA 92 Ca 0.35 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.17 1h2u h ALA 92 Cb 0.49 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1h2u h ALA 92 CO -0.36 0.14 -0.62 -0.44 0.00 0.00 0.00 179.25 177.98 1h2u h ASP 93 N 0.93 0.00 0.92 0.00 3.32 -1.62 -2.46 116.42 117.51 1h2u h ASP 93 Ca 0.52 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.45 1h2u h ASP 93 Cb 0.60 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1h2u h ASP 93 CO -0.29 0.62 -0.56 0.00 -1.72 0.00 0.00 179.24 177.28 1h2u h ALA 94 N 1.38 0.83 -0.08 3.45 0.00 -0.71 -2.89 119.26 121.24 1h2u h ALA 94 Ca -0.01 -0.51 -0.19 0.00 0.00 0.00 0.00 54.91 54.20 1h2u h ALA 94 Cb 1.16 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1h2u h ALA 94 CO 0.08 0.70 -0.69 0.93 0.00 0.00 0.00 179.25 180.27 1h2u h GLU 95 N 0.00 0.61 0.00 0.00 5.08 -0.65 -2.78 114.58 116.84 1h2u h GLU 95 Ca -0.01 -0.55 -0.03 0.00 -1.00 0.00 0.00 59.36 57.77 1h2u h GLU 95 Cb 1.17 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 1h2u h GLU 95 CO 0.07 1.17 -0.15 -0.91 -1.00 0.00 0.00 179.01 178.20 1h2u h ASN 96 N 0.25 0.00 0.15 1.42 2.35 -1.42 0.86 115.58 119.20 1h2u h ASN 96 Ca -0.06 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.49 1h2u h ASN 96 Cb 1.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.72 1h2u h ASN 96 CO 0.14 0.15 -0.77 0.00 -1.65 0.00 0.00 177.43 175.29 1h2u h ALA 97 N 1.85 0.48 -0.14 -0.83 0.00 -1.46 0.11 119.26 119.27 1h2u h ALA 97 Ca -0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 1h2u h ALA 97 Cb 0.35 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1h2u h ALA 97 CO 0.02 0.75 -0.44 0.52 0.00 0.00 0.00 179.25 180.10 1h2u h MET 98 N 0.34 0.34 -0.00 0.00 2.86 -0.98 -0.57 114.93 116.93 1h2u h MET 98 Ca -0.04 -0.18 -0.19 0.00 -2.06 0.00 0.00 59.70 57.23 1h2u h MET 98 Cb 1.37 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.05 1h2u h MET 98 CO 0.14 0.72 -0.73 0.00 1.06 0.00 0.00 176.91 178.11 1h2u h ARG 99 N 0.28 0.50 0.00 1.72 3.08 -0.66 -3.38 114.38 115.92 1h2u h ARG 99 Ca 0.02 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1h2u h ARG 99 Cb 0.89 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1h2u h ARG 99 CO 0.07 1.17 -0.48 0.66 -1.07 0.00 0.00 179.97 180.33 1h2u n TYR 100 N -4.12 0.00 -0.13 3.04 4.01 0.35 -4.76 117.16 115.55 1h2u n TYR 100 Ca -0.10 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.47 1h2u n TYR 100 Cb 0.73 -0.03 -0.13 0.00 -0.31 0.00 0.00 39.34 39.61 1h2u n TYR 100 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1h2u n ILE 101 N -1.25 1.47 -1.67 -0.72 2.08 -0.30 -4.83 119.36 114.14 1h2u n ILE 101 Ca 0.00 -0.61 -0.50 0.00 0.56 0.00 0.00 62.75 62.20 1h2u n ILE 101 Cb 0.07 -1.28 -0.05 0.00 -0.75 0.00 0.00 39.64 37.63 1h2u n ILE 101 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1h2u n ASN 102 N -3.19 2.81 0.00 4.38 5.15 -0.71 -1.58 115.26 122.14 1h2u n ASN 102 Ca -0.44 1.05 0.00 0.00 -0.60 0.00 0.00 54.58 54.59 1h2u n ASN 102 Cb 1.01 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 38.95 1h2u n ASN 102 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1h2u n GLY 103 N 3.73 0.47 3.78 8.20 0.00 0.08 -4.96 105.19 116.49 1h2u n GLY 103 Ca 0.21 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 1h2u n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h2u s THR 104 N -2.00 1.35 0.17 2.61 -4.23 -0.61 -4.82 115.64 108.11 1h2u s THR 104 Ca 0.00 -1.90 -0.16 0.00 -1.18 0.00 0.00 61.69 58.46 1h2u s THR 104 Cb 0.00 -2.25 -0.07 0.00 1.34 0.00 0.00 72.50 71.52 1h2u s THR 104 CO 0.00 0.00 0.60 -0.13 -0.54 0.00 0.00 174.62 174.55 1h2u s ARG 105 N -3.94 4.05 -0.18 3.99 0.52 -1.26 -2.41 118.95 119.73 1h2u s ARG 105 Ca 0.14 0.59 -0.04 0.00 -0.52 0.00 0.00 55.73 55.90 1h2u s ARG 105 Cb 0.02 -2.91 0.09 0.00 0.52 0.00 0.00 34.95 32.66 1h2u s ARG 105 CO 0.08 0.45 0.25 -1.17 0.02 0.00 0.00 175.30 174.93 1h2u s LEU 106 N -1.98 -0.23 -1.33 2.53 2.96 -0.47 -4.79 118.68 115.37 1h2u s LEU 106 Ca 0.39 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 1h2u s LEU 106 Cb -0.15 0.56 0.00 0.00 0.50 0.00 0.00 46.19 47.09 1h2u s LEU 106 CO 0.20 -0.29 0.00 -0.67 -1.32 0.00 0.00 176.35 174.26 1h2u n ASP 107 N 5.33 -4.60 -0.24 3.68 4.64 -1.26 -2.20 116.55 121.90 1h2u n ASP 107 Ca -0.05 0.03 -0.03 0.00 -1.38 0.00 0.00 54.79 53.35 1h2u n ASP 107 Cb 0.50 -3.71 -0.01 0.00 -1.04 0.00 0.00 41.12 36.85 1h2u n ASP 107 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1h2u n ASP 108 N -0.85 -3.73 -4.35 1.67 2.03 -1.26 -4.96 116.55 105.09 1h2u n ASP 108 Ca -0.18 0.08 -0.30 0.00 0.52 0.00 0.00 54.79 54.91 1h2u n ASP 108 Cb 0.62 -1.50 -0.14 0.00 -0.72 0.00 0.00 41.12 39.38 1h2u n ASP 108 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1h2u s ARG 109 N -1.60 1.75 -0.36 -0.67 0.52 -0.94 -5.03 118.95 112.63 1h2u s ARG 109 Ca 0.00 -1.14 -0.28 0.00 -0.52 0.00 0.00 55.73 53.79 1h2u s ARG 109 Cb 0.00 -1.97 0.02 0.00 0.52 0.00 0.00 34.95 33.52 1h2u s ARG 109 CO 0.00 0.50 1.04 0.42 0.02 0.00 0.00 175.30 177.29 1h2u s ILE 110 N -0.84 4.48 0.32 1.52 1.09 -1.26 -1.37 121.20 125.14 1h2u s ILE 110 Ca 0.12 1.51 0.06 0.00 -1.10 0.00 0.00 60.65 61.23 1h2u s ILE 110 Cb -0.10 -4.42 -0.02 0.00 -1.06 0.00 0.00 42.46 36.86 1h2u s ILE 110 CO 0.03 -0.58 0.45 0.27 -0.10 0.00 0.00 174.94 175.01 1h2u s ILE 111 N 3.73 4.44 -0.07 2.92 -4.36 -1.01 -4.85 121.20 122.00 1h2u s ILE 111 Ca 0.44 -0.94 0.03 0.00 -0.26 0.00 0.00 60.65 59.91 1h2u s ILE 111 Cb -0.11 -3.56 0.01 0.00 1.25 0.00 0.00 42.46 40.05 1h2u s ILE 111 CO 0.19 -0.23 -0.14 -0.60 0.24 0.00 0.00 174.94 174.40 1h2u s ARG 112 N -4.15 1.81 0.12 0.37 3.52 -0.97 -0.75 118.95 118.91 1h2u s ARG 112 Ca 0.42 -0.47 0.04 0.00 -0.13 0.00 0.00 55.73 55.59 1h2u s ARG 112 Cb -0.09 -1.49 -0.04 0.00 -1.56 0.00 0.00 34.95 31.77 1h2u s ARG 112 CO 0.31 0.06 0.08 0.95 -0.81 0.00 0.00 175.30 175.89 1h2u s THR 113 N 0.56 4.36 -0.07 4.11 -4.23 -1.26 0.08 115.64 119.19 1h2u s THR 113 Ca -0.14 -0.99 -0.14 0.00 -1.18 0.00 0.00 61.69 59.24 1h2u s THR 113 Cb -0.15 -3.15 0.03 0.00 1.34 0.00 0.00 72.50 70.56 1h2u s THR 113 CO 0.04 0.01 0.34 -0.62 -0.54 0.00 0.00 174.62 173.85 1h2u s ASP 114 N -2.71 -0.28 0.44 3.99 2.15 0.03 -4.96 116.67 115.34 1h2u s ASP 114 Ca 0.29 0.39 -0.25 0.00 0.43 0.00 0.00 52.55 53.41 1h2u s ASP 114 Cb -0.11 0.51 -0.08 0.00 -0.30 0.00 0.00 42.92 42.94 1h2u s ASP 114 CO 0.22 -0.31 1.31 0.26 -0.17 0.00 0.00 175.17 176.48 1h2u s TRP 115 N -0.65 2.69 0.04 -5.34 0.52 -1.26 0.25 118.94 115.19 1h2u s TRP 115 Ca -0.07 1.40 0.07 0.00 0.02 0.00 0.00 56.10 57.52 1h2u s TRP 115 Cb -0.04 -3.68 -0.02 0.00 -1.15 0.00 0.00 33.47 28.57 1h2u s TRP 115 CO 0.03 -2.25 -0.21 0.34 0.02 0.00 0.00 176.95 174.88 1h2u s ASP 116 N -0.83 2.50 0.40 2.95 -1.08 -0.73 -4.69 116.67 115.19 1h2u s ASP 116 Ca 0.61 -0.52 0.28 0.00 -0.52 0.00 0.00 52.55 52.40 1h2u s ASP 116 Cb -0.38 -0.21 1.16 0.00 -1.46 0.00 0.00 42.92 42.03 1h2u s ASP 116 CO 0.48 0.17 1.84 0.00 0.52 0.00 0.00 175.17 178.18 1h2u h ALA 117 N 4.90 1.00 0.00 3.66 0.00 -1.87 -3.41 119.26 123.54 1h2u h ALA 117 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1h2u h ALA 117 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1h2u h ALA 117 CO 0.44 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.10 1h2u n GLY 118 N 0.05 4.34 3.81 0.00 0.00 -1.26 -4.77 105.19 107.36 1h2u n GLY 118 Ca 0.01 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 1h2u n GLY 118 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1h2u s PHE 119 N -2.05 3.27 -0.17 1.61 5.36 -1.26 -5.07 117.98 119.68 1h2u s PHE 119 Ca 0.00 1.62 -0.15 0.00 -0.96 0.00 0.00 56.93 57.44 1h2u s PHE 119 Cb 0.00 -2.91 0.04 0.00 -0.34 0.00 0.00 43.02 39.82 1h2u s PHE 119 CO 0.00 -0.25 0.44 0.15 -1.46 0.00 0.00 175.22 174.10 1h2u s LYS 120 N -3.09 0.51 0.20 10.12 -0.14 -1.26 -5.10 119.74 120.97 1h2u s LYS 120 Ca 0.62 0.62 -0.32 0.00 -1.36 0.00 0.00 55.97 55.53 1h2u s LYS 120 Cb -0.12 0.24 -0.15 0.00 -1.68 0.00 0.00 37.83 36.12 1h2u s LYS 120 CO 0.16 -0.07 1.13 0.39 -0.76 0.00 0.00 175.35 176.20 1h2u n GLU 121 N 2.90 1.20 0.00 1.68 -0.58 -1.26 -1.45 120.64 123.13 1h2u n GLU 121 Ca -0.14 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 1h2u n GLU 121 Cb 0.57 -1.89 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1h2u n GLU 121 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1h2u n GLY 122 N 1.87 1.59 0.00 0.62 0.00 -1.26 -4.90 105.19 103.11 1h2u n GLY 122 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 1h2u n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h2u n ARG 123 N -2.00 0.01 -0.01 1.61 5.12 -0.53 -3.44 116.66 117.42 1h2u n ARG 123 Ca 0.00 -0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.05 1h2u n ARG 123 Cb 0.00 -1.50 0.66 0.00 -1.16 0.00 0.00 32.46 30.46 1h2u n ARG 123 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1h2u n GLN 124 N -1.49 1.31 -4.38 5.56 0.00 -1.26 -4.86 117.38 112.26 1h2u n GLN 124 Ca 0.07 -0.46 -0.35 0.00 0.00 0.00 0.00 57.00 56.26 1h2u n GLN 124 Cb 0.34 -1.44 -0.09 0.00 0.00 0.00 0.00 30.24 29.04 1h2u n GLN 124 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1h2u s TYR 125 N -1.97 3.15 0.46 2.61 1.51 -1.22 0.83 117.35 122.72 1h2u s TYR 125 Ca 0.39 0.19 -0.25 0.00 -1.01 0.00 0.00 57.07 56.39 1h2u s TYR 125 Cb 0.19 -1.78 -0.08 0.00 -0.11 0.00 0.00 41.96 40.18 1h2u s TYR 125 CO 0.32 0.47 1.42 0.20 -1.11 0.00 0.00 175.55 176.84 1h2u s GLY 126 N -0.91 2.92 0.00 0.71 0.00 -0.65 -4.88 107.32 104.51 1h2u s GLY 126 Ca 0.13 1.45 0.23 0.00 0.00 0.00 0.00 44.72 46.53 1h2u s GLY 126 CO 0.03 2.05 1.44 0.54 0.00 0.00 0.00 173.10 177.15 1h2u n ARG 127 N -0.27 2.57 -2.16 2.90 1.74 -1.15 -4.34 116.66 115.97 1h2u n ARG 127 Ca 0.06 -2.40 -0.35 0.00 -0.77 0.00 0.00 57.85 54.38 1h2u n ARG 127 Cb 0.42 -1.53 0.01 0.00 -1.02 0.00 0.00 32.46 30.35 1h2u n ARG 127 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1h2u s GLY 128 N -1.33 2.63 0.25 -0.13 0.00 0.42 -4.78 107.32 104.37 1h2u s GLY 128 Ca 0.41 0.85 -0.03 0.00 0.00 0.00 0.00 44.72 45.96 1h2u s GLY 128 CO 0.32 1.22 1.75 -0.09 0.00 0.00 0.00 173.10 176.30 1h2u h ARG 129 N 1.03 0.54 -0.00 2.90 2.43 -1.93 0.29 114.38 119.63 1h2u h ARG 129 Ca -0.50 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1h2u h ARG 129 Cb 1.27 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1h2u h ARG 129 CO 0.56 0.36 0.00 0.43 -1.51 0.00 0.00 179.97 179.81 1h2u n SER 130 N -4.92 0.02 0.00 -3.80 7.64 -1.26 -4.90 113.62 106.40 1h2u n SER 130 Ca 0.15 -1.27 0.00 0.00 1.01 0.00 0.00 58.87 58.76 1h2u n SER 130 Cb 0.40 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1h2u n SER 130 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h2u n GLY 131 N 0.87 2.46 0.00 0.23 0.00 0.09 -4.81 105.19 104.03 1h2u n GLY 131 Ca 0.18 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1h2u n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2u n GLY 132 N 0.00 -0.76 3.76 -0.02 0.00 -1.26 -1.15 105.19 105.77 1h2u n GLY 132 Ca 0.00 -1.66 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 1h2u n GLY 132 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1h2u s GLN 133 N -0.97 4.48 0.28 1.61 -0.21 -1.26 -0.44 119.66 123.14 1h2u s GLN 133 Ca 0.00 1.78 -0.01 0.00 0.02 0.00 0.00 55.36 57.15 1h2u s GLN 133 Cb 0.00 -3.01 0.63 0.00 1.00 0.00 0.00 33.01 31.62 1h2u s GLN 133 CO 0.00 0.07 1.64 0.28 -2.12 0.00 0.00 175.29 175.16 1h2u h VAL 134 N 2.85 0.30 -0.95 1.09 2.07 -1.92 0.22 116.25 119.92 1h2u h VAL 134 Ca -0.47 -0.05 0.22 0.00 0.82 0.00 0.00 66.70 67.21 1h2u h VAL 134 Cb 1.22 0.13 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 1h2u h VAL 134 CO 0.65 0.03 0.62 0.03 0.02 0.00 0.00 177.57 178.92 1h2u h ARG 135 N 0.16 0.42 -0.00 1.57 3.08 -2.00 -1.14 114.38 116.47 1h2u h ARG 135 Ca 0.51 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.54 1h2u h ARG 135 Cb 1.00 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1h2u h ARG 135 CO -0.68 0.28 -0.24 -0.25 -1.07 0.00 0.00 179.97 178.00 1h2u n ASP 136 N -4.55 0.26 0.52 7.04 9.92 0.77 -3.93 116.55 126.57 1h2u n ASP 136 Ca 0.21 0.10 -0.20 0.00 -0.53 0.00 0.00 54.79 54.37 1h2u n ASP 136 Cb 0.73 -0.12 -0.10 0.00 -0.64 0.00 0.00 41.12 40.99 1h2u n ASP 136 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1h2u h GLU 137 N 0.02 -1.27 -0.53 -1.24 4.57 -1.11 -3.27 114.58 111.75 1h2u h GLU 137 Ca 0.00 0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1h2u h GLU 137 Cb 0.50 0.29 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1h2u h GLU 137 CO 0.00 -0.85 0.00 0.66 -1.18 0.00 0.00 179.01 177.64 1h2u n TYR 138 N -5.60 1.68 -0.68 0.92 4.01 -1.26 -1.85 117.16 114.39 1h2u n TYR 138 Ca -0.16 -0.72 -0.32 0.00 -0.16 0.00 0.00 57.90 56.53 1h2u n TYR 138 Cb 0.52 -0.39 0.17 0.00 -0.31 0.00 0.00 39.34 39.33 1h2u n TYR 138 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1h2u n ARG 139 N 0.54 -1.49 0.00 -0.72 1.74 -1.24 -4.97 116.66 110.52 1h2u n ARG 139 Ca 0.26 -0.42 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 1h2u n ARG 139 Cb 1.04 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 1h2u n ARG 139 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h2u n GLN 140 N -2.09 0.57 -1.07 5.56 10.64 -1.26 -4.22 117.38 125.51 1h2u n GLN 140 Ca 0.01 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.90 1h2u n GLN 140 Cb 0.61 -0.86 0.19 0.00 -0.86 0.00 0.00 30.24 29.32 1h2u n GLN 140 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 1h2u s ASP 141 N -3.47 2.36 -0.52 2.61 1.47 -1.26 -4.73 116.67 113.12 1h2u s ASP 141 Ca 0.00 1.24 -0.08 0.00 1.18 0.00 0.00 52.55 54.89 1h2u s ASP 141 Cb 0.00 -1.92 0.14 0.00 -0.34 0.00 0.00 42.92 40.79 1h2u s ASP 141 CO 0.00 -3.30 0.38 -0.47 0.68 0.00 0.00 175.17 172.46 1h2u s TYR 142 N -2.89 3.48 -0.51 2.11 5.04 -1.26 -3.91 117.35 119.41 1h2u s TYR 142 Ca 0.66 -2.12 -0.13 0.00 -2.44 0.00 0.00 57.07 53.04 1h2u s TYR 142 Cb -0.20 -3.44 0.12 0.00 0.35 0.00 0.00 41.96 38.80 1h2u s TYR 142 CO 0.59 -0.96 0.44 0.34 -1.34 0.00 0.00 175.55 174.61 1h2u s ASP 143 N 2.15 6.01 0.16 4.32 -1.08 -0.61 -4.94 116.67 122.68 1h2u s ASP 143 Ca 0.09 -1.82 -0.17 0.00 -0.52 0.00 0.00 52.55 50.13 1h2u s ASP 143 Cb -0.23 -2.14 0.08 0.00 -1.46 0.00 0.00 42.92 39.17 1h2u s ASP 143 CO -0.02 -0.79 1.70 0.00 0.52 0.00 0.00 175.17 176.57 1h2u h ALA 144 N 8.73 0.32 0.00 3.66 0.00 -1.95 0.16 119.26 130.18 1h2u h ALA 144 Ca -0.27 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1h2u h ALA 144 Cb 1.09 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1h2u h ALA 144 CO 0.97 -0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1h2u n GLY 145 N -1.25 -0.65 0.28 0.00 0.00 -1.26 -2.79 105.19 99.51 1h2u n GLY 145 Ca 0.01 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.05 1h2u n GLY 145 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1h2u n ARG 146 N -0.59 0.64 -1.11 1.61 3.00 -0.16 -0.80 116.66 119.25 1h2u n ARG 146 Ca 0.03 -1.57 0.00 0.00 -0.00 0.00 0.00 57.85 56.30 1h2u n ARG 146 Cb 0.01 -0.90 0.00 0.00 0.00 0.00 0.00 32.46 31.58 1h2u n ARG 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1h2u n GLY 147 N -0.56 1.10 7.00 5.14 0.00 -1.06 -4.90 105.19 111.91 1h2u n GLY 147 Ca 0.06 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1h2u n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2u n GLY 148 N -0.91 2.17 3.79 -0.02 0.00 -0.14 -4.81 105.19 105.28 1h2u n GLY 148 Ca 0.00 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 1h2u n GLY 148 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h2u s TYR 149 N 0.00 2.86 -1.38 1.61 2.02 -1.26 -1.57 117.35 119.63 1h2u s TYR 149 Ca 0.00 1.40 -0.15 0.00 -0.37 0.00 0.00 57.07 57.95 1h2u s TYR 149 Cb 0.00 -2.99 0.02 0.00 -0.40 0.00 0.00 41.96 38.59 1h2u s TYR 149 CO 0.00 -1.57 2.19 0.41 -1.57 0.00 0.00 175.55 175.01 1h2u n GLY 150 N -1.73 4.18 3.42 0.71 0.00 -1.25 -4.95 105.19 105.57 1h2u n GLY 150 Ca 0.08 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1h2u n GLY 150 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1h2u n LYS 151 N 6.25 0.00 0.00 1.61 5.02 -1.23 -3.76 118.16 126.05 1h2u n LYS 151 Ca 0.52 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.85 1h2u n LYS 151 Cb 0.39 0.00 0.27 0.00 -0.02 0.00 0.00 35.03 35.67 1h2u n LYS 151 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77