#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1e s GLY 14 N 0.00 2.67 -0.19 1.57 0.00 -1.26 -4.69 107.32 105.42 2h1e s GLY 14 Ca 0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 44.72 43.70 2h1e s GLY 14 CO 0.00 -2.06 1.35 -0.42 0.00 0.00 0.00 173.10 171.97 2h1e s ILE 15 N -2.84 4.12 -0.16 0.90 1.01 -0.32 -1.41 121.20 122.49 2h1e s ILE 15 Ca 0.20 1.32 -0.12 0.00 0.00 0.00 0.00 60.65 62.05 2h1e s ILE 15 Cb -0.01 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 2h1e s ILE 15 CO 0.13 -0.23 -0.18 -0.67 0.00 0.00 0.00 174.94 173.99 2h1e n ASP 16 N 7.10 1.84 -3.86 3.58 2.03 0.42 -4.61 116.55 123.06 2h1e n ASP 16 Ca 0.15 0.55 -0.12 0.00 0.52 0.00 0.00 54.79 55.89 2h1e n ASP 16 Cb 0.45 -0.86 -0.13 0.00 -0.72 0.00 0.00 41.12 39.87 2h1e n ASP 16 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2h1e s ILE 17 N -2.38 0.02 -0.23 5.18 1.01 -0.80 -5.01 121.20 118.97 2h1e s ILE 17 Ca -0.19 -0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 2h1e s ILE 17 Cb 0.03 -0.15 -0.04 0.00 0.01 0.00 0.00 42.46 42.31 2h1e s ILE 17 CO 0.30 -0.07 0.13 -0.69 0.00 0.00 0.00 174.94 174.60 2h1e s VAL 18 N -0.20 5.04 -0.25 2.92 1.01 -1.26 -0.78 120.40 126.87 2h1e s VAL 18 Ca -0.03 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.03 2h1e s VAL 18 Cb -0.02 -3.34 -0.17 0.00 0.00 0.00 0.00 36.38 32.85 2h1e s VAL 18 CO 0.00 0.36 -0.21 -0.38 0.00 0.00 0.00 175.10 174.87 2h1e n ILE 19 N 4.33 1.51 -3.77 2.22 5.41 -0.26 -5.02 119.36 123.78 2h1e n ILE 19 Ca -0.15 -0.56 -0.08 0.00 1.00 0.00 0.00 62.75 62.95 2h1e n ILE 19 Cb 0.52 -1.46 -0.02 0.00 -0.71 0.00 0.00 39.64 37.97 2h1e n ILE 19 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2h1e s ASN 20 N -6.59 -0.31 0.18 4.38 3.84 -1.25 -4.95 114.94 110.23 2h1e s ASN 20 Ca -0.35 -0.49 0.03 0.00 0.21 0.00 0.00 52.86 52.26 2h1e s ASN 20 Cb 0.09 0.69 -0.05 0.00 -0.55 0.00 0.00 41.25 41.43 2h1e s ASN 20 CO 0.60 -1.25 -0.03 -1.38 -2.79 0.00 0.00 177.10 172.26 2h1e s HIS 21 N -3.89 1.34 0.17 0.43 -3.43 -1.26 -0.04 115.29 108.61 2h1e s HIS 21 Ca 0.09 -0.91 -0.20 0.00 -0.80 0.00 0.00 55.06 53.25 2h1e s HIS 21 Cb -0.04 -0.75 0.05 0.00 -1.43 0.00 0.00 32.58 30.41 2h1e s HIS 21 CO 0.02 -0.06 0.54 -0.98 -2.00 0.00 0.00 174.74 172.26 2h1e s ARG 22 N -3.85 1.28 0.27 -0.38 1.70 -0.31 -4.98 118.95 112.69 2h1e s ARG 22 Ca 0.23 -0.65 -0.30 0.00 -0.47 0.00 0.00 55.73 54.54 2h1e s ARG 22 Cb 0.05 0.55 -0.13 0.00 -0.57 0.00 0.00 34.95 34.84 2h1e s ARG 22 CO 0.04 -0.55 1.33 -0.11 -1.08 0.00 0.00 175.30 174.94 2h1e n LEU 23 N -0.34 3.10 -4.77 -1.89 7.94 -1.26 -0.39 117.00 119.40 2h1e n LEU 23 Ca -0.14 1.17 -0.38 0.00 -1.11 0.00 0.00 56.01 55.54 2h1e n LEU 23 Cb 0.64 -1.43 -0.01 0.00 0.53 0.00 0.00 43.42 43.14 2h1e n LEU 23 CO 0.15 -0.58 0.86 -0.75 -1.11 0.00 0.00 177.39 175.96 2h1e s LYS 24 N -0.96 3.93 0.32 1.96 2.20 -0.32 -4.57 119.74 122.31 2h1e s LYS 24 Ca 0.63 1.87 -0.29 0.00 -0.36 0.00 0.00 55.97 57.83 2h1e s LYS 24 Cb -0.63 -2.60 -0.12 0.00 -1.51 0.00 0.00 37.83 32.97 2h1e s LYS 24 CO 0.54 -0.43 1.48 2.41 -0.36 0.00 0.00 175.35 178.99 2h1e n THR 25 N -0.11 1.52 -1.21 3.43 -1.04 -1.26 -2.82 114.28 112.79 2h1e n THR 25 Ca 0.05 -0.38 -0.05 0.00 -2.04 0.00 0.00 64.05 61.63 2h1e n THR 25 Cb 0.46 -1.84 -0.02 0.00 -1.82 0.00 0.00 70.33 67.11 2h1e n THR 25 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2h1e n SER 26 N 1.33 -3.53 -4.21 8.00 7.64 -1.26 -5.01 113.62 116.58 2h1e n SER 26 Ca 0.06 0.12 -0.31 0.00 1.01 0.00 0.00 58.87 59.75 2h1e n SER 26 Cb 0.37 -1.57 -0.17 0.00 -1.01 0.00 0.00 64.21 61.83 2h1e n SER 26 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2h1e s LEU 27 N -1.19 2.03 0.29 -3.43 2.96 -1.13 -5.11 118.68 113.11 2h1e s LEU 27 Ca 0.00 -0.50 -0.30 0.00 -0.22 0.00 0.00 54.13 53.11 2h1e s LEU 27 Cb 0.00 -1.30 -0.12 0.00 0.50 0.00 0.00 46.19 45.27 2h1e s LEU 27 CO 0.00 0.18 1.51 -0.62 -1.32 0.00 0.00 176.35 176.11 2h1e n GLU 28 N 3.28 2.49 -0.23 1.98 1.02 -1.26 -4.86 120.64 123.05 2h1e n GLU 28 Ca -0.19 0.88 0.02 0.00 -0.02 0.00 0.00 57.16 57.86 2h1e n GLU 28 Cb 0.52 -2.61 0.14 0.00 -0.02 0.00 0.00 31.44 29.47 2h1e n GLU 28 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2h1e h GLU 29 N 4.28 0.43 -1.64 3.49 5.08 -1.99 -1.94 114.58 122.31 2h1e h GLU 29 Ca -0.47 -0.03 0.48 0.00 -1.00 0.00 0.00 59.36 58.34 2h1e h GLU 29 Cb 1.24 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 30.33 2h1e h GLU 29 CO 0.76 0.29 1.18 0.41 -1.00 0.00 0.00 179.01 180.64 2h1e n GLY 30 N -1.31 -0.82 0.22 -3.84 0.00 -1.26 -1.73 105.19 96.44 2h1e n GLY 30 Ca 0.11 0.58 -0.05 0.00 0.00 0.00 0.00 46.02 46.66 2h1e n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h1e h LYS 31 N 0.00 0.43 -0.59 1.61 1.79 -1.72 -2.23 116.57 115.86 2h1e h LYS 31 Ca 0.78 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 59.05 2h1e h LYS 31 Cb 3.13 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 33.77 2h1e h LYS 31 CO -0.02 0.75 0.00 1.33 -1.08 0.00 0.00 179.45 180.44 2h1e n VAL 32 N -4.04 2.29 0.28 0.50 0.24 -0.71 -4.38 118.33 112.51 2h1e n VAL 32 Ca -0.01 -1.34 0.04 0.00 -2.04 0.00 0.00 64.34 60.98 2h1e n VAL 32 Cb 0.49 -0.08 0.04 0.00 -1.47 0.00 0.00 33.84 32.82 2h1e n VAL 32 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2h1e n LEU 33 N 0.78 1.71 -4.75 1.34 4.77 -0.84 -5.02 117.00 114.99 2h1e n LEU 33 Ca 0.26 -1.08 -0.37 0.00 -0.03 0.00 0.00 56.01 54.79 2h1e n LEU 33 Cb 1.03 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 42.15 2h1e n LEU 33 CO 0.27 0.36 0.91 -1.61 -1.33 0.00 0.00 177.39 175.99 2h1e s GLU 34 N -0.66 3.06 -0.72 3.23 2.02 -1.22 -4.93 118.70 119.47 2h1e s GLU 34 Ca 0.09 2.04 -0.02 0.00 0.02 0.00 0.00 54.97 57.10 2h1e s GLU 34 Cb 0.06 -2.11 0.30 0.00 0.10 0.00 0.00 34.13 32.49 2h1e s GLU 34 CO 0.09 -1.20 2.18 1.63 0.02 0.00 0.00 175.26 177.99 2h1e n LYS 35 N -1.28 2.63 -4.10 1.61 4.76 -1.26 -4.87 118.16 115.65 2h1e n LYS 35 Ca 0.12 -3.16 -0.11 0.00 -2.87 0.00 0.00 58.31 52.28 2h1e n LYS 35 Cb 0.47 -2.22 -0.11 0.00 -1.84 0.00 0.00 35.03 31.34 2h1e n LYS 35 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2h1e s THR 36 N -4.35 0.52 0.06 -0.18 -4.23 -1.26 -5.08 115.64 101.12 2h1e s THR 36 Ca 0.54 -1.47 -0.31 0.00 -1.18 0.00 0.00 61.69 59.28 2h1e s THR 36 Cb 0.43 -1.08 -0.06 0.00 1.34 0.00 0.00 72.50 73.13 2h1e s THR 36 CO -0.30 -0.65 1.29 -0.69 -0.54 0.00 0.00 174.62 173.73 2h1e s VAL 37 N -2.52 3.78 0.50 2.29 1.01 -1.26 -5.01 120.40 119.20 2h1e s VAL 37 Ca -0.00 1.25 -0.22 0.00 0.00 0.00 0.00 61.98 63.00 2h1e s VAL 37 Cb -0.02 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 2h1e s VAL 37 CO -0.03 0.07 1.25 -2.84 0.00 0.00 0.00 175.10 173.55 2h1e s PRO 38 N 1.40 3.45 0.86 2.72 0.02 -1.26 -5.05 135.00 137.13 2h1e s PRO 38 Ca 0.61 1.98 -0.11 0.00 0.02 0.00 0.00 61.00 63.49 2h1e s PRO 38 Cb -0.32 -2.32 0.11 0.00 0.02 0.00 0.00 34.50 31.99 2h1e s PRO 38 CO 0.28 -0.86 1.09 -0.51 -0.33 0.00 0.00 177.00 176.68 2h1e s ASP 39 N -1.20 3.81 0.26 2.53 1.11 -1.26 -4.76 116.67 117.16 2h1e s ASP 39 Ca 0.68 1.56 -0.04 0.00 0.18 0.00 0.00 52.55 54.93 2h1e s ASP 39 Cb -0.34 -2.25 0.38 0.00 1.07 0.00 0.00 42.92 41.78 2h1e s ASP 39 CO 0.40 -2.44 1.87 0.25 1.18 0.00 0.00 175.17 176.43 2h1e h LEU 40 N -1.41 0.94 -0.65 1.23 5.85 -1.97 -0.60 115.31 118.71 2h1e h LEU 40 Ca -0.48 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.31 2h1e h LEU 40 Cb 1.27 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 2h1e h LEU 40 CO 0.54 0.60 0.36 0.78 -0.34 0.00 0.00 178.44 180.37 2h1e h ASN 41 N 1.07 0.53 -0.70 1.25 2.35 -2.00 -1.29 115.58 116.80 2h1e h ASN 41 Ca 0.41 0.03 0.13 0.00 -0.55 0.00 0.00 56.30 56.32 2h1e h ASN 41 Cb 0.19 -0.08 -0.09 0.00 0.05 0.00 0.00 38.32 38.39 2h1e h ASN 41 CO -0.18 0.35 0.23 0.78 -1.65 0.00 0.00 177.43 176.96 2h1e h ASN 42 N 0.67 0.17 -0.80 5.81 -0.26 -1.76 -2.12 115.58 117.29 2h1e h ASN 42 Ca 0.29 0.11 -0.01 0.00 -0.56 0.00 0.00 56.30 56.13 2h1e h ASN 42 Cb 0.17 0.12 -0.04 0.00 -1.06 0.00 0.00 38.32 37.51 2h1e h ASN 42 CO -0.18 0.06 0.46 0.00 -1.06 0.00 0.00 177.43 176.72 2h1e h LYS 44 N 1.10 0.60 0.06 0.00 1.57 -1.16 -3.08 116.57 115.67 2h1e h LYS 44 Ca 0.28 -0.34 -0.24 0.00 -1.87 0.00 0.00 60.65 58.49 2h1e h LYS 44 Cb -0.00 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2h1e h LYS 44 CO -0.05 0.94 -1.06 0.93 -0.57 0.00 0.00 179.45 179.64 2h1e h GLU 45 N 0.49 0.22 0.00 3.15 5.08 -1.15 -3.40 114.58 118.96 2h1e h GLU 45 Ca 0.03 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2h1e h GLU 45 Cb 0.99 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2h1e h GLU 45 CO 0.09 1.10 -1.22 0.09 -1.00 0.00 0.00 179.01 178.07 2h1e n ASN 46 N -3.56 0.77 -4.21 1.42 3.02 -0.38 -4.91 115.26 107.41 2h1e n ASN 46 Ca -0.05 -0.65 -0.17 0.00 -0.03 0.00 0.00 54.58 53.68 2h1e n ASN 46 Cb 0.93 1.29 -0.11 0.00 -0.61 0.00 0.00 39.78 41.27 2h1e n ASN 46 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2h1e s TYR 47 N -2.98 1.25 0.20 3.10 2.02 -1.16 -1.17 117.35 118.61 2h1e s TYR 47 Ca 0.03 -0.56 0.06 0.00 -0.37 0.00 0.00 57.07 56.22 2h1e s TYR 47 Cb 0.14 -0.67 -0.04 0.00 -0.40 0.00 0.00 41.96 40.99 2h1e s TYR 47 CO 0.80 0.08 0.14 -1.21 -1.57 0.00 0.00 175.55 173.79 2h1e s GLU 48 N -2.50 2.83 -0.03 -0.62 2.02 0.48 -4.64 118.70 116.24 2h1e s GLU 48 Ca 0.05 -0.99 0.02 0.00 0.02 0.00 0.00 54.97 54.08 2h1e s GLU 48 Cb -0.05 -2.56 0.01 0.00 0.10 0.00 0.00 34.13 31.62 2h1e s GLU 48 CO 0.02 0.44 -0.08 -0.06 0.02 0.00 0.00 175.26 175.61 2h1e s PHE 49 N -1.92 0.87 -0.32 1.61 0.08 -0.25 -1.17 117.98 116.90 2h1e s PHE 49 Ca 0.31 -0.22 -0.21 0.00 0.12 0.00 0.00 56.93 56.94 2h1e s PHE 49 Cb -0.09 -0.64 -0.00 0.00 -0.57 0.00 0.00 43.02 41.71 2h1e s PHE 49 CO 0.23 -0.11 0.66 -1.17 -0.10 0.00 0.00 175.22 174.74 2h1e s LEU 50 N 0.28 4.16 -0.17 -0.37 2.96 0.95 -1.08 118.68 125.40 2h1e s LEU 50 Ca -0.04 0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 54.23 2h1e s LEU 50 Cb -0.09 -2.86 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 2h1e s LEU 50 CO 0.00 -0.53 -0.02 -0.63 -1.32 0.00 0.00 176.35 173.86 2h1e s ILE 51 N 2.70 4.01 -0.23 6.68 -1.09 -0.17 -1.10 121.20 131.99 2h1e s ILE 51 Ca 0.26 -0.31 -0.13 0.00 -2.23 0.00 0.00 60.65 58.24 2h1e s ILE 51 Cb -0.15 -2.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.92 2h1e s ILE 51 CO 0.13 0.48 0.30 -0.75 -1.23 0.00 0.00 174.94 173.86 2h1e s LYS 52 N 0.49 4.10 0.26 2.79 2.20 0.04 -2.06 119.74 127.56 2h1e s LYS 52 Ca -0.02 -0.02 -0.06 0.00 -0.36 0.00 0.00 55.97 55.51 2h1e s LYS 52 Cb -0.14 -3.56 -0.06 0.00 -1.51 0.00 0.00 37.83 32.56 2h1e s LYS 52 CO 0.02 -0.04 0.54 -1.58 -0.36 0.00 0.00 175.35 173.94 2h1e s TRP 53 N 1.34 3.46 0.25 4.03 0.52 -1.26 -0.43 118.94 126.85 2h1e s TRP 53 Ca 0.14 0.70 -0.01 0.00 0.02 0.00 0.00 56.10 56.95 2h1e s TRP 53 Cb -0.14 -2.14 0.32 0.00 -1.15 0.00 0.00 33.47 30.35 2h1e s TRP 53 CO 0.07 0.21 1.70 1.79 0.02 0.00 0.00 176.95 180.74 2h1e h THR 54 N 1.57 1.26 -0.01 2.01 1.35 -1.53 -3.03 112.91 114.53 2h1e h THR 54 Ca -0.47 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.16 2h1e h THR 54 Cb 1.18 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 2h1e h THR 54 CO 0.67 0.40 0.00 -0.90 -0.25 0.00 0.00 175.52 175.45 2h1e n ASP 55 N -4.14 0.13 -3.81 5.36 5.75 -1.26 -4.93 116.55 113.64 2h1e n ASP 55 Ca 0.00 -1.32 -0.12 0.00 -0.01 0.00 0.00 54.79 53.34 2h1e n ASP 55 Cb 0.39 -0.01 -0.09 0.00 -1.03 0.00 0.00 41.12 40.38 2h1e n ASP 55 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2h1e s GLU 56 N -1.99 0.55 0.81 0.11 2.02 -1.15 -5.07 118.70 113.99 2h1e s GLU 56 Ca 0.34 -0.24 -0.11 0.00 0.02 0.00 0.00 54.97 54.98 2h1e s GLU 56 Cb 0.16 0.24 0.08 0.00 0.10 0.00 0.00 34.13 34.70 2h1e s GLU 56 CO 0.26 -0.14 1.10 -1.54 0.02 0.00 0.00 175.26 174.96 2h1e s SER 57 N -1.23 4.17 0.66 -0.19 1.04 -1.26 -4.53 113.70 112.36 2h1e s SER 57 Ca -0.13 1.83 0.21 0.00 0.48 0.00 0.00 55.95 58.34 2h1e s SER 57 Cb -0.06 -2.49 1.12 0.00 0.10 0.00 0.00 66.02 64.69 2h1e s SER 57 CO 0.03 -2.25 1.63 0.45 0.98 0.00 0.00 173.24 174.08 2h1e h HIS 58 N -1.28 0.00 0.00 5.02 3.86 -1.94 -0.51 115.15 120.31 2h1e h HIS 58 Ca -0.44 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.76 2h1e h HIS 58 Cb 1.24 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.71 2h1e h HIS 58 CO 0.55 0.00 -0.04 1.25 0.86 0.00 0.00 177.93 180.55 2h1e h LEU 59 N 0.00 0.00 -2.83 2.43 5.85 -1.90 -2.79 115.31 116.08 2h1e h LEU 59 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2h1e h LEU 59 Cb 1.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2h1e h LEU 59 CO -0.00 0.04 0.00 1.41 -0.34 0.00 0.00 178.44 179.55 2h1e n HIS 60 N -3.56 0.90 -1.83 1.25 8.25 -0.20 -5.00 115.22 115.03 2h1e n HIS 60 Ca -0.02 -0.51 -0.38 0.00 -0.26 0.00 0.00 57.72 56.54 2h1e n HIS 60 Cb 0.14 -0.03 0.04 0.00 1.12 0.00 0.00 29.99 31.26 2h1e n HIS 60 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2h1e s ASN 61 N -1.01 5.27 0.01 0.41 0.01 -1.05 -4.84 114.94 113.74 2h1e s ASN 61 Ca 0.43 2.69 -0.03 0.00 -0.71 0.00 0.00 52.86 55.24 2h1e s ASN 61 Cb 0.23 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 39.25 2h1e s ASN 61 CO 0.28 -1.56 0.04 0.42 -1.51 0.00 0.00 177.10 174.77 2h1e s THR 62 N -1.35 0.09 -0.03 1.60 -4.23 -0.87 -4.95 115.64 105.90 2h1e s THR 62 Ca 0.72 -0.72 -0.21 0.00 -1.18 0.00 0.00 61.69 60.30 2h1e s THR 62 Cb -0.39 -0.30 -0.05 0.00 1.34 0.00 0.00 72.50 73.10 2h1e s THR 62 CO 0.45 -0.40 0.62 0.26 -0.54 0.00 0.00 174.62 175.02 2h1e s TRP 63 N -1.25 3.64 0.12 3.99 0.52 -1.26 -1.00 118.94 123.70 2h1e s TRP 63 Ca -0.14 1.21 0.03 0.00 0.02 0.00 0.00 56.10 57.22 2h1e s TRP 63 Cb -0.08 -2.67 -0.04 0.00 -1.15 0.00 0.00 33.47 29.53 2h1e s TRP 63 CO 0.00 0.26 -0.08 -1.21 0.02 0.00 0.00 176.95 175.94 2h1e s GLU 64 N 0.15 0.94 0.50 4.98 0.41 -0.24 -4.89 118.70 120.55 2h1e s GLU 64 Ca 0.33 -1.39 0.09 0.00 -0.41 0.00 0.00 54.97 53.59 2h1e s GLU 64 Cb -0.18 -0.41 0.05 0.00 -1.78 0.00 0.00 34.13 31.81 2h1e s GLU 64 CO 0.17 0.03 0.68 0.95 -0.49 0.00 0.00 175.26 176.60 2h1e s THR 65 N -3.45 2.51 0.24 3.63 -4.23 -1.26 -1.08 115.64 111.99 2h1e s THR 65 Ca 0.14 -1.02 -0.06 0.00 -1.18 0.00 0.00 61.69 59.57 2h1e s THR 65 Cb 0.04 -2.53 0.24 0.00 1.34 0.00 0.00 72.50 71.59 2h1e s THR 65 CO -0.02 0.00 1.90 1.88 -0.54 0.00 0.00 174.62 177.84 2h1e h TYR 66 N 0.41 1.17 0.05 3.99 -1.99 -1.82 -1.49 116.97 117.28 2h1e h TYR 66 Ca -0.35 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.41 2h1e h TYR 66 Cb 1.28 -0.39 0.00 0.00 2.00 0.00 0.00 36.73 39.62 2h1e h TYR 66 CO 0.43 0.70 -0.02 1.49 -0.00 0.00 0.00 178.16 180.76 2h1e h GLU 67 N 1.23 -0.06 -0.21 4.88 4.81 -1.95 -2.82 114.58 120.45 2h1e h GLU 67 Ca 0.36 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.49 2h1e h GLU 67 Cb -0.06 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2h1e h GLU 67 CO -0.10 0.07 -0.33 0.66 -0.73 0.00 0.00 179.01 178.58 2h1e h SER 68 N -0.18 0.45 0.32 1.04 4.64 -1.89 -2.75 113.55 115.17 2h1e h SER 68 Ca -0.01 -0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.08 2h1e h SER 68 Cb 0.16 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 2h1e h SER 68 CO 0.01 0.76 -0.28 0.16 -0.87 0.00 0.00 176.83 176.61 2h1e h ILE 69 N 0.38 1.13 0.00 0.95 3.07 -1.28 -3.48 117.51 118.28 2h1e h ILE 69 Ca 0.05 -0.98 0.00 0.00 1.55 0.00 0.00 64.86 65.48 2h1e h ILE 69 Cb 0.76 1.54 0.00 0.00 -0.27 0.00 0.00 36.82 38.85 2h1e h ILE 69 CO 0.06 0.27 0.00 0.61 -1.05 0.00 0.00 178.15 178.04 2h1e n GLY 70 N -0.66 0.89 3.56 0.16 0.00 -1.04 -4.30 105.19 103.79 2h1e n GLY 70 Ca -0.02 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 2h1e n GLY 70 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2h1e s GLN 71 N 0.00 3.20 0.12 1.61 0.74 -1.26 -4.97 119.66 119.10 2h1e s GLN 71 Ca 0.00 -0.66 0.10 0.00 0.05 0.00 0.00 55.36 54.85 2h1e s GLN 71 Cb 0.00 -5.05 -0.04 0.00 1.10 0.00 0.00 33.01 29.02 2h1e s GLN 71 CO 0.00 -2.54 -0.25 0.54 -0.55 0.00 0.00 175.29 172.49 2h1e s VAL 72 N 6.69 2.04 0.47 1.34 0.11 -1.26 -5.12 120.40 124.67 2h1e s VAL 72 Ca 0.52 -1.67 -0.22 0.00 -2.93 0.00 0.00 61.98 57.68 2h1e s VAL 72 Cb -0.04 -1.82 -0.07 0.00 -1.53 0.00 0.00 36.38 32.92 2h1e s VAL 72 CO -0.02 0.04 1.14 -0.13 -3.33 0.00 0.00 175.10 172.80 2h1e s ARG 73 N -1.98 3.73 0.00 1.54 0.52 -1.26 -4.01 118.95 117.48 2h1e s ARG 73 Ca 0.11 1.70 0.00 0.00 -0.52 0.00 0.00 55.73 57.02 2h1e s ARG 73 Cb -0.10 -2.33 0.00 0.00 0.52 0.00 0.00 34.95 33.04 2h1e s ARG 73 CO 0.05 -0.56 0.00 0.41 0.02 0.00 0.00 175.30 175.22 2h1e n GLY 74 N 0.35 0.54 0.37 -3.53 0.00 -1.26 -1.18 105.19 100.49 2h1e n GLY 74 Ca 0.08 -0.47 0.14 0.00 0.00 0.00 0.00 46.02 45.77 2h1e n GLY 74 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2h1e h LEU 75 N 0.00 0.66 -1.71 0.99 5.85 -1.91 -1.98 115.31 117.22 2h1e h LEU 75 Ca 0.00 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.88 2h1e h LEU 75 Cb 0.00 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2h1e h LEU 75 CO 0.00 0.29 0.38 0.50 -0.34 0.00 0.00 178.44 179.27 2h1e h LYS 76 N 0.67 0.32 -0.49 1.25 3.64 -1.94 -0.62 116.57 119.41 2h1e h LYS 76 Ca 0.50 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.91 2h1e h LYS 76 Cb 0.88 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.58 2h1e h LYS 76 CO -0.26 0.21 0.25 0.00 -2.27 0.00 0.00 179.45 177.38 2h1e h ARG 77 N 0.33 0.47 0.72 1.90 3.08 -1.74 0.19 114.38 119.33 2h1e h ARG 77 Ca 0.26 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.25 2h1e h ARG 77 Cb 0.60 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.55 2h1e h ARG 77 CO -0.06 0.31 -0.35 1.25 -1.07 0.00 0.00 179.97 180.05 2h1e h LEU 78 N 0.48 -0.82 -0.89 3.04 6.46 -1.22 -1.71 115.31 120.65 2h1e h LEU 78 Ca 0.21 0.02 0.23 0.00 -0.12 0.00 0.00 57.88 58.22 2h1e h LEU 78 Cb 0.12 0.21 -0.13 0.00 -0.73 0.00 0.00 40.66 40.13 2h1e h LEU 78 CO -0.15 -0.57 0.35 0.44 -0.62 0.00 0.00 178.44 177.89 2h1e h ASP 79 N -0.98 0.24 -0.13 1.25 3.32 -1.16 -0.81 116.42 118.14 2h1e h ASP 79 Ca -0.10 0.17 -0.16 0.00 0.02 0.00 0.00 57.03 56.96 2h1e h ASP 79 Cb 0.74 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 2h1e h ASP 79 CO 0.16 -0.05 -0.49 0.78 -1.72 0.00 0.00 179.24 177.92 2h1e h ASN 80 N 0.34 0.77 0.11 6.45 2.35 -0.51 -0.94 115.58 124.15 2h1e h ASN 80 Ca 0.56 -0.38 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 2h1e h ASN 80 Cb 1.10 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.23 2h1e h ASN 80 CO -0.56 1.13 -0.14 0.22 -1.65 0.00 0.00 177.43 176.42 2h1e h TYR 81 N 0.55 -0.37 -0.42 1.19 3.20 -0.40 -0.80 116.97 119.92 2h1e h TYR 81 Ca 0.03 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.98 2h1e h TYR 81 Cb 1.05 0.15 -0.07 0.00 1.54 0.00 0.00 36.73 39.39 2h1e h TYR 81 CO 0.05 -0.21 -0.04 0.00 -1.64 0.00 0.00 178.16 176.32 2h1e h LYS 83 N 0.06 0.10 0.06 0.00 1.79 -0.91 -0.74 116.57 116.92 2h1e h LYS 83 Ca 0.20 -0.01 -0.13 0.00 -2.18 0.00 0.00 60.65 58.54 2h1e h LYS 83 Cb 0.30 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 30.95 2h1e h LYS 83 CO -0.38 0.06 -0.55 0.37 -1.08 0.00 0.00 179.45 177.87 2h1e h GLN 84 N 0.10 0.27 0.00 3.15 4.15 -0.94 -0.93 115.11 120.90 2h1e h GLN 84 Ca 0.07 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 59.12 2h1e h GLN 84 Cb 0.05 0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.87 2h1e h GLN 84 CO -0.08 1.12 -1.16 1.19 -1.93 0.00 0.00 178.83 177.96 2h1e n PHE 85 N -4.28 0.00 0.00 3.99 3.72 0.75 -2.78 117.46 118.86 2h1e n PHE 85 Ca -0.12 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.25 2h1e n PHE 85 Cb 0.68 -0.08 -0.01 0.00 -0.94 0.00 0.00 39.48 39.13 2h1e n PHE 85 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2h1e n ILE 86 N -1.62 1.04 0.20 4.37 5.41 -0.88 -4.66 119.36 123.21 2h1e n ILE 86 Ca 0.03 0.23 -0.13 0.00 1.00 0.00 0.00 62.75 63.88 2h1e n ILE 86 Cb 0.37 -1.71 -0.07 0.00 -0.71 0.00 0.00 39.64 37.51 2h1e n ILE 86 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2h1e h ILE 87 N -0.22 0.49 -0.27 1.39 2.04 -1.19 -1.55 117.51 118.20 2h1e h ILE 87 Ca -0.04 -0.55 -0.13 0.00 1.00 0.00 0.00 64.86 65.14 2h1e h ILE 87 Cb 0.47 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2h1e h ILE 87 CO -0.03 0.08 -0.34 -0.33 0.00 0.00 0.00 178.15 177.54 2h1e h GLU 88 N -0.90 0.71 -0.60 2.37 5.08 -1.31 0.23 114.58 120.17 2h1e h GLU 88 Ca -0.06 -0.40 0.10 0.00 -1.00 0.00 0.00 59.36 58.01 2h1e h GLU 88 Cb 0.55 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.71 2h1e h GLU 88 CO 0.09 1.02 -0.34 0.22 -1.00 0.00 0.00 179.01 178.99 2h1e h ASP 89 N 0.45 -1.19 0.01 1.42 3.58 -1.61 -1.96 116.42 117.12 2h1e h ASP 89 Ca 0.04 0.23 -0.09 0.00 0.42 0.00 0.00 57.03 57.62 2h1e h ASP 89 Cb 0.92 0.59 -0.01 0.00 1.72 0.00 0.00 39.33 42.54 2h1e h ASP 89 CO 0.08 -0.31 -0.26 -0.61 -2.88 0.00 0.00 179.24 175.26 2h1e h GLN 90 N -0.17 0.40 -0.61 0.28 5.75 -0.86 0.24 115.11 120.14 2h1e h GLN 90 Ca 0.23 -0.15 0.09 0.00 -0.15 0.00 0.00 58.65 58.67 2h1e h GLN 90 Cb 0.55 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 29.01 2h1e h GLN 90 CO -0.69 0.64 0.24 1.96 -2.65 0.00 0.00 178.83 178.33 2h1e h GLN 91 N 0.36 0.42 0.06 1.69 4.20 -0.62 -0.56 115.11 120.66 2h1e h GLN 91 Ca 0.05 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2h1e h GLN 91 Cb 0.66 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2h1e h GLN 91 CO 0.05 0.28 -0.03 0.28 -0.67 0.00 0.00 178.83 178.73 2h1e h VAL 92 N 0.43 1.20 -0.86 -0.54 2.07 -0.80 -2.39 116.25 115.37 2h1e h VAL 92 Ca 0.31 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2h1e h VAL 92 Cb 0.36 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 2h1e h VAL 92 CO -0.29 0.24 0.54 0.03 0.02 0.00 0.00 177.57 178.11 2h1e h ARG 93 N -0.53 1.16 -0.01 1.57 3.08 -0.89 -2.82 114.38 115.94 2h1e h ARG 93 Ca -0.01 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2h1e h ARG 93 Cb 0.46 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2h1e h ARG 93 CO 0.01 0.79 -0.32 1.28 -1.07 0.00 0.00 179.97 180.67 2h1e n LEU 94 N -4.45 0.98 -4.64 3.04 4.77 -0.23 -4.88 117.00 111.60 2h1e n LEU 94 Ca 0.09 -0.24 -0.44 0.00 -0.03 0.00 0.00 56.01 55.39 2h1e n LEU 94 Cb 0.04 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 2h1e n LEU 94 CO 0.37 0.19 0.71 -0.67 -1.33 0.00 0.00 177.39 176.66 2h1e n ASP 95 N -0.78 1.91 -0.25 -1.43 -0.08 -0.90 -4.91 116.55 110.11 2h1e n ASP 95 Ca 0.11 1.18 0.08 0.00 -1.51 0.00 0.00 54.79 54.65 2h1e n ASP 95 Cb 0.35 -1.37 0.33 0.00 2.34 0.00 0.00 41.12 42.77 2h1e n ASP 95 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2h1e h PRO 96 N 2.20 0.79 -0.71 -0.67 0.11 -1.90 -2.90 132.00 128.91 2h1e h PRO 96 Ca -0.42 -0.05 -0.28 0.00 0.11 0.00 0.00 66.00 65.36 2h1e h PRO 96 Cb 1.32 -0.18 -0.17 0.00 0.11 0.00 0.00 31.00 32.08 2h1e h PRO 96 CO 0.61 0.52 0.30 2.48 -0.21 0.00 0.00 178.00 181.70 2h1e n TYR 97 N -4.52 2.29 -1.89 0.65 0.18 -1.26 -4.99 117.16 107.63 2h1e n TYR 97 Ca 0.14 -1.42 -0.41 0.00 1.88 0.00 0.00 57.90 58.09 2h1e n TYR 97 Cb 0.31 -0.70 -0.01 0.00 -0.38 0.00 0.00 39.34 38.56 2h1e n TYR 97 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2h1e s VAL 98 N -3.11 2.23 0.23 -3.48 0.11 -1.10 -5.04 120.40 110.25 2h1e s VAL 98 Ca 0.53 0.23 0.07 0.00 -2.93 0.00 0.00 61.98 59.88 2h1e s VAL 98 Cb 0.44 -3.15 -0.04 0.00 -1.53 0.00 0.00 36.38 32.11 2h1e s VAL 98 CO 0.10 0.05 0.16 0.42 -3.33 0.00 0.00 175.10 172.50 2h1e s THR 99 N -1.13 4.32 0.20 5.04 -4.23 -1.26 -5.03 115.64 113.56 2h1e s THR 99 Ca 0.52 -1.40 -0.11 0.00 -1.18 0.00 0.00 61.69 59.53 2h1e s THR 99 Cb -0.45 -3.30 0.14 0.00 1.34 0.00 0.00 72.50 70.24 2h1e s THR 99 CO 0.60 -0.30 1.86 0.00 -0.54 0.00 0.00 174.62 176.24 2h1e h ALA 100 N 1.76 0.93 -0.86 3.99 0.00 -2.00 -2.04 119.26 121.04 2h1e h ALA 100 Ca -0.48 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 54.48 2h1e h ALA 100 Cb 1.23 -0.29 -0.14 0.00 0.00 0.00 0.00 17.79 18.59 2h1e h ALA 100 CO 0.61 0.38 -0.43 1.49 0.00 0.00 0.00 179.25 181.30 2h1e h GLU 101 N 0.99 -0.07 -0.70 0.00 4.81 -1.99 -1.41 114.58 116.21 2h1e h GLU 101 Ca 0.26 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.63 2h1e h GLU 101 Cb -0.07 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.24 2h1e h GLU 101 CO -0.05 -0.04 0.25 -0.44 -0.73 0.00 0.00 179.01 177.99 2h1e h ASP 102 N -0.07 0.20 -0.28 1.04 3.32 -1.85 -0.46 116.42 118.32 2h1e h ASP 102 Ca 0.26 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.37 2h1e h ASP 102 Cb 0.55 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 2h1e h ASP 102 CO -0.88 0.08 -0.04 0.40 -1.72 0.00 0.00 179.24 177.09 2h1e h ILE 103 N 0.39 1.27 -0.38 0.35 1.08 -1.02 -2.03 117.51 117.17 2h1e h ILE 103 Ca 0.38 -1.02 -0.05 0.00 -0.39 0.00 0.00 64.86 63.78 2h1e h ILE 103 Cb 0.56 1.38 -0.01 0.00 -3.07 0.00 0.00 36.82 35.67 2h1e h ILE 103 CO -0.39 0.32 0.05 -0.33 -0.69 0.00 0.00 178.15 177.10 2h1e h GLU 104 N 0.29 0.64 -0.58 2.37 4.39 -0.98 0.17 114.58 120.87 2h1e h GLU 104 Ca 0.07 -0.18 0.03 0.00 0.34 0.00 0.00 59.36 59.63 2h1e h GLU 104 Cb 0.49 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.03 2h1e h GLU 104 CO 0.02 0.71 0.34 0.82 -1.16 0.00 0.00 179.01 179.74 2h1e h ILE 105 N 0.48 1.04 -0.49 3.13 2.04 -1.03 -1.44 117.51 121.24 2h1e h ILE 105 Ca 0.11 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 2h1e h ILE 105 Cb 0.39 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2h1e h ILE 105 CO 0.01 0.12 0.11 0.24 0.00 0.00 0.00 178.15 178.64 2h1e h MET 106 N 0.67 0.80 -0.56 2.37 2.86 -1.17 -1.36 114.93 118.53 2h1e h MET 106 Ca 0.24 -0.20 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 2h1e h MET 106 Cb 0.05 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 2h1e h MET 106 CO -0.11 0.78 0.33 -0.44 1.06 0.00 0.00 176.91 178.52 2h1e h ASP 107 N 0.68 0.52 0.13 1.22 3.32 -0.79 -1.76 116.42 119.74 2h1e h ASP 107 Ca 0.15 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.05 2h1e h ASP 107 Cb 0.34 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2h1e h ASP 107 CO 0.00 0.36 -0.59 0.00 -1.72 0.00 0.00 179.24 177.29 2h1e h MET 108 N 0.65 0.47 -0.50 3.56 -0.00 -1.16 -1.61 114.93 116.34 2h1e h MET 108 Ca 0.23 -0.32 -0.01 0.00 -0.00 0.00 0.00 59.70 59.60 2h1e h MET 108 Cb 0.05 0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 31.67 2h1e h MET 108 CO -0.11 0.93 0.27 0.93 -0.00 0.00 0.00 176.91 178.93 2h1e h GLU 109 N 0.35 0.69 -0.01 -0.10 5.08 -1.17 0.26 114.58 119.68 2h1e h GLU 109 Ca -0.00 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2h1e h GLU 109 Cb 1.13 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 2h1e h GLU 109 CO 0.11 0.54 0.00 -0.09 -1.00 0.00 0.00 179.01 178.57 2h1e h ARG 110 N 0.66 0.02 -0.55 2.33 2.43 -1.24 -2.29 114.38 115.74 2h1e h ARG 110 Ca 0.17 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.44 2h1e h ARG 110 Cb 0.05 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.52 2h1e h ARG 110 CO -0.03 0.27 0.12 1.49 -1.51 0.00 0.00 179.97 180.31 2h1e h GLU 111 N -0.22 0.25 -0.73 0.20 4.81 -1.22 0.30 114.58 117.97 2h1e h GLU 111 Ca 0.00 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2h1e h GLU 111 Cb 0.25 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 2h1e h GLU 111 CO 0.00 0.16 0.45 -0.09 -0.73 0.00 0.00 179.01 178.80 2h1e h ARG 112 N 0.26 0.98 -0.07 1.92 2.43 -0.89 0.12 114.38 119.12 2h1e h ARG 112 Ca 0.28 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.29 2h1e h ARG 112 Cb 0.39 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2h1e h ARG 112 CO -0.36 0.68 -0.28 -0.09 -1.51 0.00 0.00 179.97 178.41 2h1e h ARG 113 N 1.00 0.31 -0.49 0.20 2.43 -0.77 -2.37 114.38 114.68 2h1e h ARG 113 Ca 0.26 -0.24 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 2h1e h ARG 113 Cb -0.06 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 2h1e h ARG 113 CO -0.05 0.88 0.00 -0.07 -1.51 0.00 0.00 179.97 179.22 2h1e h LEU 114 N -0.19 0.79 -0.75 3.80 3.38 -0.72 -2.60 115.31 119.02 2h1e h LEU 114 Ca -0.02 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.81 2h1e h LEU 114 Cb 0.92 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 2h1e h LEU 114 CO 0.06 0.86 0.45 0.44 0.09 0.00 0.00 178.44 180.33 2h1e h ASP 115 N 0.77 0.70 -0.15 -0.43 3.32 -0.66 -2.79 116.42 117.18 2h1e h ASP 115 Ca 0.15 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 2h1e h ASP 115 Cb 0.46 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2h1e h ASP 115 CO 0.02 0.46 0.06 -0.08 -1.72 0.00 0.00 179.24 177.98 2h1e h GLU 116 N 0.84 0.22 -0.43 3.56 4.57 -1.17 -2.84 114.58 119.32 2h1e h GLU 116 Ca 0.32 -0.04 0.12 0.00 -1.18 0.00 0.00 59.36 58.59 2h1e h GLU 116 Cb 0.13 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 2h1e h GLU 116 CO -0.16 0.31 0.35 0.74 -1.18 0.00 0.00 179.01 179.07 2h1e h PHE 117 N 0.08 0.00 0.00 0.92 0.04 -1.23 -1.58 116.94 115.16 2h1e h PHE 117 Ca 0.05 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 2h1e h PHE 117 Cb 0.17 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.32 2h1e h PHE 117 CO -0.01 0.00 -0.16 0.93 -0.60 0.00 0.00 178.31 178.46 2h1e h GLU 118 N 0.00 0.00 -0.75 1.51 4.39 -1.25 -1.96 114.58 116.52 2h1e h GLU 118 Ca 0.20 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.91 2h1e h GLU 118 Cb 0.90 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.51 2h1e h GLU 118 CO -0.00 0.16 0.50 0.93 -1.16 0.00 0.00 179.01 179.44 2h1e h GLU 119 N 0.00 0.98 0.00 2.33 4.39 -1.35 -3.34 114.58 117.59 2h1e h GLU 119 Ca -0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2h1e h GLU 119 Cb 0.34 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2h1e h GLU 119 CO 0.02 0.65 0.00 0.74 -1.16 0.00 0.00 179.01 179.26 2h1e h PHE 120 N 1.01 0.00 -0.61 4.33 0.04 -1.47 -1.61 116.94 118.63 2h1e h PHE 120 Ca 0.28 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.05 2h1e h PHE 120 Cb -0.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.05 2h1e h PHE 120 CO -0.00 0.00 0.00 -2.39 -0.60 0.00 0.00 178.31 175.32 2h1e n HIS 121 N -2.47 1.23 -3.85 -0.55 1.44 -1.25 -4.51 115.22 105.25 2h1e n HIS 121 Ca 0.04 -0.51 -0.36 0.00 -2.01 0.00 0.00 57.72 54.88 2h1e n HIS 121 Cb 0.38 -0.17 -0.12 0.00 0.12 0.00 0.00 29.99 30.20 2h1e n HIS 121 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2h1e s VAL 122 N -1.63 4.43 0.24 0.61 1.01 -0.61 -4.87 120.40 119.58 2h1e s VAL 122 Ca 0.46 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 2h1e s VAL 122 Cb 0.28 -3.05 -0.10 0.00 0.00 0.00 0.00 36.38 33.51 2h1e s VAL 122 CO 0.24 0.37 1.36 -2.84 0.00 0.00 0.00 175.10 174.23 2h1e s PRO 123 N 1.28 4.34 -0.16 2.72 0.02 -1.26 -0.90 135.00 141.03 2h1e s PRO 123 Ca 0.05 2.17 -0.25 0.00 0.02 0.00 0.00 61.00 62.99 2h1e s PRO 123 Cb -0.15 -3.14 -0.23 0.00 0.02 0.00 0.00 34.50 31.00 2h1e s PRO 123 CO 0.03 -0.30 0.53 1.49 -0.33 0.00 0.00 177.00 178.42 2h1e h GLU 124 N 4.89 0.02 -3.09 5.54 4.81 -0.94 -3.43 114.58 122.38 2h1e h GLU 124 Ca -0.46 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.65 2h1e h GLU 124 Cb 1.22 0.02 -0.17 0.00 0.63 0.00 0.00 28.75 30.45 2h1e h GLU 124 CO 0.75 1.02 -0.14 1.03 -0.73 0.00 0.00 179.01 180.94 2h1e s ARG 125 N -2.30 0.89 -0.15 1.92 0.52 -1.15 -5.03 118.95 113.64 2h1e s ARG 125 Ca -0.23 -0.39 -0.07 0.00 -0.52 0.00 0.00 55.73 54.52 2h1e s ARG 125 Cb 0.01 0.39 -0.04 0.00 0.52 0.00 0.00 34.95 35.84 2h1e s ARG 125 CO 0.66 -0.30 0.09 0.42 0.02 0.00 0.00 175.30 176.19 2h1e s ILE 126 N -2.47 5.04 -0.02 1.52 1.01 -1.26 -0.92 121.20 124.11 2h1e s ILE 126 Ca -0.05 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.65 2h1e s ILE 126 Cb -0.01 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 2h1e s ILE 126 CO -0.02 0.54 -0.00 -0.38 0.00 0.00 0.00 174.94 175.07 2h1e n ILE 127 N 2.78 0.14 -3.57 2.92 5.41 0.90 -4.97 119.36 122.97 2h1e n ILE 127 Ca -0.18 -0.07 -0.07 0.00 1.00 0.00 0.00 62.75 63.43 2h1e n ILE 127 Cb 0.53 -0.83 -0.02 0.00 -0.71 0.00 0.00 39.64 38.62 2h1e n ILE 127 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2h1e s ASP 128 N -3.58 -0.31 -0.21 4.38 2.15 -1.21 -4.94 116.67 112.95 2h1e s ASP 128 Ca -0.02 -0.11 -0.04 0.00 0.43 0.00 0.00 52.55 52.81 2h1e s ASP 128 Cb 0.01 0.41 0.10 0.00 -0.30 0.00 0.00 42.92 43.14 2h1e s ASP 128 CO 0.07 -0.70 0.25 -0.94 -0.17 0.00 0.00 175.17 173.69 2h1e s SER 129 N -2.61 1.11 0.19 -0.34 1.04 -1.26 -0.99 113.70 110.83 2h1e s SER 129 Ca 0.07 -0.09 0.09 0.00 0.48 0.00 0.00 55.95 56.50 2h1e s SER 129 Cb -0.01 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 2h1e s SER 129 CO -0.06 -0.32 -0.09 -1.10 0.98 0.00 0.00 173.24 172.65 2h1e s GLN 130 N 2.37 2.07 -0.19 4.02 -1.52 -0.78 -4.92 119.66 120.70 2h1e s GLN 130 Ca 0.08 -1.29 -0.09 0.00 -1.95 0.00 0.00 55.36 52.11 2h1e s GLN 130 Cb -0.15 -2.15 -0.05 0.00 -0.22 0.00 0.00 33.01 30.44 2h1e s GLN 130 CO -0.13 0.43 0.09 0.50 -0.25 0.00 0.00 175.29 175.94 2h1e s ARG 131 N -2.89 4.08 0.09 2.91 3.52 -1.26 0.36 118.95 125.76 2h1e s ARG 131 Ca 0.25 -0.29 -0.15 0.00 -0.13 0.00 0.00 55.73 55.42 2h1e s ARG 131 Cb -0.09 -3.31 -0.07 0.00 -1.56 0.00 0.00 34.95 29.93 2h1e s ARG 131 CO 0.15 0.29 0.51 0.00 -0.81 0.00 0.00 175.30 175.44 2h1e s ALA 132 N 0.36 3.62 -0.27 6.12 0.00 0.41 -4.90 121.76 127.10 2h1e s ALA 132 Ca 0.05 -0.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.75 2h1e s ALA 132 Cb -0.12 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 2h1e s ALA 132 CO -0.01 0.46 0.28 -1.12 0.00 0.00 0.00 175.76 175.37 2h1e s SER 133 N -1.45 6.15 0.33 0.00 0.01 -1.26 -1.07 113.70 116.42 2h1e s SER 133 Ca 0.32 0.16 -0.05 0.00 1.31 0.00 0.00 55.95 57.69 2h1e s SER 133 Cb -0.16 -2.17 -0.05 0.00 0.21 0.00 0.00 66.02 63.85 2h1e s SER 133 CO 0.18 -0.10 0.61 -0.76 0.41 0.00 0.00 173.24 173.58 2h1e s LEU 134 N 1.83 3.97 0.25 2.44 2.01 -0.24 -5.00 118.68 123.95 2h1e s LEU 134 Ca 0.11 0.77 -0.04 0.00 0.01 0.00 0.00 54.13 54.99 2h1e s LEU 134 Cb -0.16 -3.62 0.50 0.00 0.01 0.00 0.00 46.19 42.93 2h1e s LEU 134 CO 0.10 -0.28 1.68 -0.33 1.01 0.00 0.00 176.35 178.53 2h1e h GLU 135 N 1.35 0.27 -6.53 1.70 5.08 -1.98 -3.37 114.58 111.09 2h1e h GLU 135 Ca -0.48 -0.02 -0.37 0.00 -1.00 0.00 0.00 59.36 57.49 2h1e h GLU 135 Cb 1.19 -0.06 0.20 0.00 0.50 0.00 0.00 28.75 30.58 2h1e h GLU 135 CO 0.65 0.18 -0.69 -0.25 -1.00 0.00 0.00 179.01 177.89 2h1e n ASP 136 N -5.15 -2.74 0.17 1.42 9.92 -1.26 -4.81 116.55 114.10 2h1e n ASP 136 Ca 0.15 -0.30 0.04 0.00 -0.53 0.00 0.00 54.79 54.15 2h1e n ASP 136 Cb 0.49 -0.92 0.21 0.00 -0.64 0.00 0.00 41.12 40.27 2h1e n ASP 136 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2h1e h GLY 137 N -2.48 0.00 -1.65 0.44 0.00 -2.03 -3.46 103.07 93.88 2h1e h GLY 137 Ca -0.44 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.44 2h1e h GLY 137 CO 0.31 0.00 0.03 -1.08 0.00 0.00 0.00 176.54 175.80 2h1e s THR 138 N -3.20 2.53 0.03 4.70 -1.32 -1.26 -4.90 115.64 112.22 2h1e s THR 138 Ca -0.01 -0.59 0.01 0.00 -1.21 0.00 0.00 61.69 59.90 2h1e s THR 138 Cb 0.02 -2.94 -0.02 0.00 -1.51 0.00 0.00 72.50 68.05 2h1e s THR 138 CO 0.07 0.00 -0.05 -0.94 -2.21 0.00 0.00 174.62 171.49 2h1e s SER 139 N -4.48 0.57 -0.04 8.08 1.04 -1.26 -1.08 113.70 116.53 2h1e s SER 139 Ca 0.59 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.56 2h1e s SER 139 Cb -0.10 0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.09 2h1e s SER 139 CO 0.40 -0.21 -0.05 -1.10 0.98 0.00 0.00 173.24 173.26 2h1e s GLN 140 N -1.36 0.87 0.31 4.02 -0.21 -0.23 -4.94 119.66 118.12 2h1e s GLN 140 Ca -0.11 -0.14 -0.29 0.00 0.02 0.00 0.00 55.36 54.85 2h1e s GLN 140 Cb -0.09 -0.85 -0.10 0.00 1.00 0.00 0.00 33.01 32.97 2h1e s GLN 140 CO -0.00 -0.06 1.35 -1.17 -2.12 0.00 0.00 175.29 173.29 2h1e s LEU 141 N 0.82 4.41 0.05 2.90 2.96 -1.26 -0.44 118.68 128.12 2h1e s LEU 141 Ca -0.11 2.70 0.08 0.00 -0.22 0.00 0.00 54.13 56.57 2h1e s LEU 141 Cb -0.14 -3.64 -0.03 0.00 0.50 0.00 0.00 46.19 42.88 2h1e s LEU 141 CO 0.01 -0.59 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.12 2h1e s GLN 142 N -1.44 1.49 -0.08 1.98 -1.52 0.16 -1.13 119.66 119.12 2h1e s GLN 142 Ca 0.52 -1.04 0.03 0.00 -1.95 0.00 0.00 55.36 52.92 2h1e s GLN 142 Cb -0.40 -1.66 -0.02 0.00 -0.22 0.00 0.00 33.01 30.71 2h1e s GLN 142 CO 0.51 0.42 -0.17 0.71 -0.25 0.00 0.00 175.29 176.51 2h1e s TYR 143 N -0.85 2.65 -0.38 0.91 2.02 0.34 -1.86 117.35 120.17 2h1e s TYR 143 Ca 0.09 -0.50 -0.25 0.00 -0.37 0.00 0.00 57.07 56.04 2h1e s TYR 143 Cb -0.09 -1.69 0.02 0.00 -0.40 0.00 0.00 41.96 39.79 2h1e s TYR 143 CO 0.02 -0.07 0.87 -1.17 -1.57 0.00 0.00 175.55 173.63 2h1e s LEU 144 N -0.20 4.06 -0.24 -1.29 2.96 -0.16 0.06 118.68 123.87 2h1e s LEU 144 Ca -0.01 0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 54.23 2h1e s LEU 144 Cb -0.13 -3.15 -0.03 0.00 0.50 0.00 0.00 46.19 43.37 2h1e s LEU 144 CO 0.03 -0.84 0.06 -0.69 -1.32 0.00 0.00 176.35 173.60 2h1e s VAL 145 N 3.37 4.34 -0.10 1.68 1.01 0.04 -0.07 120.40 130.68 2h1e s VAL 145 Ca 0.35 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 2h1e s VAL 145 Cb -0.12 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 2h1e s VAL 145 CO 0.19 0.36 1.03 -0.75 0.00 0.00 0.00 175.10 175.93 2h1e s LYS 146 N 1.44 4.42 0.28 2.72 2.36 -0.09 -2.02 119.74 128.85 2h1e s LYS 146 Ca 0.05 1.43 -0.08 0.00 -2.55 0.00 0.00 55.97 54.82 2h1e s LYS 146 Cb -0.15 -3.54 -0.06 0.00 -1.05 0.00 0.00 37.83 33.03 2h1e s LYS 146 CO 0.03 -0.32 0.59 -1.58 1.55 0.00 0.00 175.35 175.62 2h1e s TRP 147 N 2.00 3.45 0.25 4.03 0.52 -1.26 -0.35 118.94 127.58 2h1e s TRP 147 Ca 0.49 0.82 -0.31 0.00 0.02 0.00 0.00 56.10 57.13 2h1e s TRP 147 Cb -0.19 -2.24 -0.12 0.00 -1.15 0.00 0.00 33.47 29.77 2h1e s TRP 147 CO 0.19 0.17 1.57 0.54 0.02 0.00 0.00 176.95 179.44 2h1e n ARG 148 N -0.61 2.46 -1.23 4.98 1.74 -0.08 -2.84 116.66 121.09 2h1e n ARG 148 Ca 0.00 0.88 -0.10 0.00 -0.77 0.00 0.00 57.85 57.86 2h1e n ARG 148 Cb 0.53 -2.64 -0.04 0.00 -1.02 0.00 0.00 32.46 29.29 2h1e n ARG 148 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2h1e n ARG 149 N 2.62 -1.61 -4.43 5.56 1.74 -1.26 -4.15 116.66 115.13 2h1e n ARG 149 Ca 0.12 0.77 -0.30 0.00 -0.77 0.00 0.00 57.85 57.67 2h1e n ARG 149 Cb 0.34 -5.00 -0.12 0.00 -1.02 0.00 0.00 32.46 26.66 2h1e n ARG 149 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2h1e s LEU 150 N -2.63 2.66 0.00 0.55 1.43 -1.13 -5.04 118.68 114.52 2h1e s LEU 150 Ca 0.00 -0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 52.51 2h1e s LEU 150 Cb 0.00 -1.53 0.14 0.00 0.03 0.00 0.00 46.19 44.83 2h1e s LEU 150 CO 0.00 0.21 0.90 -0.46 0.23 0.00 0.00 176.35 177.23 2h1e n ASN 151 N 1.06 0.52 0.05 2.29 0.23 -1.26 -4.54 115.26 113.60 2h1e n ASN 151 Ca -0.16 -1.60 0.06 0.00 -0.53 0.00 0.00 54.58 52.35 2h1e n ASN 151 Cb 0.52 -0.65 0.48 0.00 -2.08 0.00 0.00 39.78 38.06 2h1e n ASN 151 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 2h1e h TYR 152 N -1.12 0.39 -0.32 -2.53 -1.99 -1.97 -0.23 116.97 109.20 2h1e h TYR 152 Ca -0.29 0.01 0.09 0.00 2.00 0.00 0.00 58.73 60.54 2h1e h TYR 152 Cb 0.92 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.50 2h1e h TYR 152 CO 0.00 0.24 0.46 -0.44 -0.00 0.00 0.00 178.16 178.42 2h1e h ASP 153 N 0.42 0.00 -0.30 3.88 3.32 -2.01 -1.40 116.42 120.32 2h1e h ASP 153 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2h1e h ASP 153 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2h1e h ASP 153 CO -0.03 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.87 2h1e n GLU 154 N -3.44 2.36 -1.97 3.56 -0.58 -0.10 -4.94 120.64 115.53 2h1e n GLU 154 Ca 0.05 -1.92 -0.40 0.00 -0.42 0.00 0.00 57.16 54.48 2h1e n GLU 154 Cb 0.61 -1.29 -0.01 0.00 -0.57 0.00 0.00 31.44 30.18 2h1e n GLU 154 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2h1e s ALA 155 N -1.01 3.42 0.06 0.62 0.00 -0.53 -4.78 121.76 119.54 2h1e s ALA 155 Ca 0.23 1.37 0.06 0.00 0.00 0.00 0.00 51.96 53.62 2h1e s ALA 155 Cb 0.13 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2h1e s ALA 155 CO 0.17 -0.88 -0.16 0.95 0.00 0.00 0.00 175.76 175.84 2h1e s THR 156 N -1.18 1.28 -0.04 0.00 -4.23 -0.86 -4.88 115.64 105.73 2h1e s THR 156 Ca 0.54 -1.22 -0.30 0.00 -1.18 0.00 0.00 61.69 59.53 2h1e s THR 156 Cb -0.42 -1.17 -0.05 0.00 1.34 0.00 0.00 72.50 72.20 2h1e s THR 156 CO 0.55 -0.06 1.40 0.26 -0.54 0.00 0.00 174.62 176.23 2h1e s TRP 157 N -1.04 2.74 0.11 3.99 0.52 -1.26 -0.78 118.94 123.21 2h1e s TRP 157 Ca 0.02 0.78 0.06 0.00 0.02 0.00 0.00 56.10 56.98 2h1e s TRP 157 Cb -0.09 -3.66 -0.04 0.00 -1.15 0.00 0.00 33.47 28.54 2h1e s TRP 157 CO 0.02 -2.45 -0.14 -1.21 0.02 0.00 0.00 176.95 173.19 2h1e s GLU 158 N 2.85 0.97 0.10 4.98 0.41 0.11 -4.93 118.70 123.19 2h1e s GLU 158 Ca 0.63 -1.16 -0.33 0.00 -0.41 0.00 0.00 54.97 53.70 2h1e s GLU 158 Cb -0.29 -0.90 -0.12 0.00 -1.78 0.00 0.00 34.13 31.04 2h1e s GLU 158 CO 0.24 0.18 1.77 -1.71 -0.49 0.00 0.00 175.26 175.26 2h1e n ASN 159 N 0.74 3.69 -0.36 -0.19 2.85 -1.26 -0.51 115.26 120.22 2h1e n ASN 159 Ca -0.17 1.01 0.03 0.00 -0.11 0.00 0.00 54.58 55.34 2h1e n ASN 159 Cb 0.56 -1.48 0.17 0.00 1.24 0.00 0.00 39.78 40.27 2h1e n ASN 159 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2h1e h ALA 160 N 7.87 1.38 0.00 5.20 0.00 -1.44 0.34 119.26 132.61 2h1e h ALA 160 Ca -0.46 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2h1e h ALA 160 Cb 1.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2h1e h ALA 160 CO 0.93 0.41 -0.29 1.79 0.00 0.00 0.00 179.25 182.10 2h1e h THR 161 N 1.14 0.50 -0.23 0.00 1.35 -1.89 -1.92 112.91 111.86 2h1e h THR 161 Ca 0.43 -1.67 -0.08 0.00 -0.55 0.00 0.00 66.41 64.53 2h1e h THR 161 Cb 0.19 2.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.81 2h1e h THR 161 CO -0.18 0.28 -0.22 0.44 -0.25 0.00 0.00 175.52 175.59 2h1e h ASP 162 N 0.00 0.42 0.76 5.36 5.19 -1.32 -3.04 116.42 123.79 2h1e h ASP 162 Ca -0.00 -0.13 -0.07 0.00 -0.62 0.00 0.00 57.03 56.21 2h1e h ASP 162 Cb 1.20 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.58 2h1e h ASP 162 CO 0.04 0.65 -0.33 0.40 -3.12 0.00 0.00 179.24 176.88 2h1e h ILE 163 N 0.38 0.84 -0.02 0.35 1.08 -0.71 -1.66 117.51 117.78 2h1e h ILE 163 Ca 0.06 -1.34 -0.20 0.00 -0.39 0.00 0.00 64.86 62.99 2h1e h ILE 163 Cb 0.60 1.82 -0.00 0.00 -3.07 0.00 0.00 36.82 36.17 2h1e h ILE 163 CO 0.04 0.32 -0.85 -0.37 -0.69 0.00 0.00 178.15 176.60 2h1e h VAL 164 N 0.00 1.42 -0.52 1.67 -1.51 -1.41 0.23 116.25 116.12 2h1e h VAL 164 Ca -0.00 -2.39 -0.09 0.00 -1.23 0.00 0.00 66.70 62.99 2h1e h VAL 164 Cb 0.80 2.33 -0.02 0.00 -2.13 0.00 0.00 31.29 32.26 2h1e h VAL 164 CO 0.04 0.71 -0.04 0.11 -1.23 0.00 0.00 177.57 177.16 2h1e h LYS 165 N 0.21 0.90 0.11 5.19 1.57 -1.33 -2.96 116.57 120.26 2h1e h LYS 165 Ca -0.05 -0.28 -0.28 0.00 -1.87 0.00 0.00 60.65 58.16 2h1e h LYS 165 Cb 1.46 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.69 2h1e h LYS 165 CO 0.14 0.92 -1.35 1.25 -0.57 0.00 0.00 179.45 179.84 2h1e h LEU 166 N 0.83 0.38 -5.16 2.94 5.85 -1.17 -3.42 115.31 115.55 2h1e h LEU 166 Ca 0.15 -0.45 -0.28 0.00 0.84 0.00 0.00 57.88 58.13 2h1e h LEU 166 Cb 0.55 -0.12 -0.21 0.00 0.37 0.00 0.00 40.66 41.24 2h1e h LEU 166 CO 0.03 1.37 -0.61 0.00 -0.34 0.00 0.00 178.44 178.89 2h1e n ALA 167 N -2.58 0.63 -0.13 1.25 0.00 0.78 -4.99 120.51 115.47 2h1e n ALA 167 Ca -0.11 -1.89 -0.06 0.00 0.00 0.00 0.00 53.44 51.38 2h1e n ALA 167 Cb 1.03 -1.06 0.02 0.00 0.00 0.00 0.00 19.45 19.44 2h1e n ALA 167 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2h1e h PRO 168 N 2.72 0.40 -1.00 0.00 0.13 -1.65 -1.84 132.00 130.76 2h1e h PRO 168 Ca -0.12 -0.02 0.13 0.00 -0.87 0.00 0.00 66.00 65.11 2h1e h PRO 168 Cb 1.14 -0.09 -0.09 0.00 0.13 0.00 0.00 31.00 32.09 2h1e h PRO 168 CO 0.17 0.27 0.63 0.93 -0.23 0.00 0.00 178.00 179.76 2h1e h GLU 169 N 0.41 0.94 0.00 0.86 3.07 -1.94 0.50 114.58 118.43 2h1e h GLU 169 Ca 0.17 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 58.90 2h1e h GLU 169 Cb 0.08 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 2h1e h GLU 169 CO -0.12 0.62 -0.37 1.96 -1.40 0.00 0.00 179.01 179.70 2h1e h GLN 170 N 0.97 0.00 0.19 2.33 7.50 -1.79 0.11 115.11 124.41 2h1e h GLN 170 Ca 0.50 0.00 -0.28 0.00 0.50 0.00 0.00 58.65 59.37 2h1e h GLN 170 Cb 0.53 0.00 0.02 0.00 0.05 0.00 0.00 27.48 28.08 2h1e h GLN 170 CO -0.28 0.37 -1.30 0.28 -1.50 0.00 0.00 178.83 176.40 2h1e h VAL 171 N 0.00 1.26 -0.67 -0.54 2.07 -0.59 -3.01 116.25 114.77 2h1e h VAL 171 Ca -0.00 -2.57 0.06 0.00 0.82 0.00 0.00 66.70 65.01 2h1e h VAL 171 Cb 0.88 3.00 -0.06 0.00 -1.52 0.00 0.00 31.29 33.59 2h1e h VAL 171 CO 0.05 0.77 0.37 0.11 0.02 0.00 0.00 177.57 178.89 2h1e h LYS 172 N -0.10 0.66 0.00 1.57 1.57 0.54 0.33 116.57 121.14 2h1e h LYS 172 Ca -0.24 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2h1e h LYS 172 Cb 1.92 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 34.09 2h1e h LYS 172 CO 0.19 0.44 0.00 1.58 -0.57 0.00 0.00 179.45 181.08 2h1e n HIS 173 N -4.79 0.00 0.03 -1.35 -0.00 -0.03 -3.80 115.22 105.28 2h1e n HIS 173 Ca 0.09 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.15 2h1e n HIS 173 Cb 0.18 -0.05 -0.09 0.00 -0.12 0.00 0.00 29.99 29.92 2h1e n HIS 173 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 2h1e h PHE 174 N 0.00 -0.15 -0.00 1.57 3.04 -0.18 -3.51 116.94 117.70 2h1e h PHE 174 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2h1e h PHE 174 Cb 0.02 0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.58 2h1e h PHE 174 CO 0.00 0.34 0.00 0.00 -2.02 0.00 0.00 178.31 176.63