#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hle n GLY 10 N 0.00 5.85 3.78 0.00 0.00 -1.26 -5.00 105.19 108.56 2hle n GLY 10 Ca 0.00 -2.64 -0.37 0.00 0.00 0.00 0.00 46.02 43.01 2hle n GLY 10 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hle s HIS 11 N -3.93 3.53 -0.04 1.61 4.02 -1.26 -5.09 115.29 114.13 2hle s HIS 11 Ca 0.46 0.61 0.06 0.00 1.02 0.00 0.00 55.06 57.21 2hle s HIS 11 Cb 0.31 -2.21 -0.02 0.00 -1.02 0.00 0.00 32.58 29.63 2hle s HIS 11 CO -0.21 0.43 -0.21 -1.01 1.02 0.00 0.00 174.74 174.76 2hle s HIS 12 N -0.16 2.49 -0.22 1.40 0.09 -1.26 -5.10 115.29 112.53 2hle s HIS 12 Ca 0.16 -0.35 0.01 0.00 -0.00 0.00 0.00 55.06 54.88 2hle s HIS 12 Cb -0.13 -1.56 0.06 0.00 -0.00 0.00 0.00 32.58 30.94 2hle s HIS 12 CO 0.05 0.04 -0.06 -1.58 -0.00 0.00 0.00 174.74 173.19 2hle s HIS 13 N -0.62 2.31 -0.19 1.40 5.65 -1.26 -5.10 115.29 117.48 2hle s HIS 13 Ca 0.09 -1.66 -0.08 0.00 0.25 0.00 0.00 55.06 53.66 2hle s HIS 13 Cb -0.11 -1.55 -0.04 0.00 -1.18 0.00 0.00 32.58 29.70 2hle s HIS 13 CO -0.00 -0.75 0.09 -3.38 -0.65 0.00 0.00 174.74 170.04 2hle s HIS 14 N 1.43 3.31 -0.21 3.88 0.00 -1.26 -5.05 115.29 117.39 2hle s HIS 14 Ca -0.05 0.17 -0.04 0.00 -3.00 0.00 0.00 55.06 52.15 2hle s HIS 14 Cb -0.18 -2.10 0.09 0.00 -4.00 0.00 0.00 32.58 26.39 2hle s HIS 14 CO -0.07 0.21 0.20 -1.58 -1.00 0.00 0.00 174.74 172.51 2hle s HIS 15 N 0.33 -0.16 0.18 0.38 5.65 -1.26 -5.15 115.29 115.26 2hle s HIS 15 Ca 0.05 0.00 -0.30 0.00 0.25 0.00 0.00 55.06 55.06 2hle s HIS 15 Cb -0.12 -0.47 -0.07 0.00 -1.18 0.00 0.00 32.58 30.73 2hle s HIS 15 CO -0.01 -0.63 1.01 -1.01 -0.65 0.00 0.00 174.74 173.45 2hle s HIS 16 N 2.28 3.78 -0.13 3.88 0.09 -1.26 -4.90 115.29 119.02 2hle s HIS 16 Ca 0.06 1.76 -0.03 0.00 -0.00 0.00 0.00 55.06 56.86 2hle s HIS 16 Cb -0.16 -3.12 -0.03 0.00 -0.00 0.00 0.00 32.58 29.28 2hle s HIS 16 CO -0.15 -0.02 -0.03 -1.21 -0.00 0.00 0.00 174.74 173.32 2hle s GLU 17 N -0.52 3.39 -0.17 1.40 2.02 -1.26 -1.12 118.70 122.44 2hle s GLU 17 Ca 0.46 -0.50 -0.01 0.00 0.02 0.00 0.00 54.97 54.94 2hle s GLU 17 Cb -0.26 -2.84 -0.01 0.00 0.10 0.00 0.00 34.13 31.12 2hle s GLU 17 CO 0.33 0.40 -0.12 -2.00 0.02 0.00 0.00 175.26 173.89 2hle s GLU 18 N -0.08 3.29 0.00 1.61 2.12 0.46 -4.94 118.70 121.16 2hle s GLU 18 Ca 0.02 -0.70 -0.30 0.00 0.36 0.00 0.00 54.97 54.35 2hle s GLU 18 Cb -0.13 -2.73 -0.03 0.00 0.26 0.00 0.00 34.13 31.50 2hle s GLU 18 CO 0.02 0.00 0.96 0.99 -0.54 0.00 0.00 175.26 176.69 2hle s THR 19 N 0.89 4.86 -0.17 -1.70 2.01 -1.26 0.39 115.64 120.67 2hle s THR 19 Ca -0.03 2.02 -0.11 0.00 0.31 0.00 0.00 61.69 63.87 2hle s THR 19 Cb -0.15 -4.30 -0.23 0.00 0.01 0.00 0.00 72.50 67.84 2hle s THR 19 CO -0.00 0.18 0.24 0.18 -0.69 0.00 0.00 174.62 174.52 2hle n LEU 20 N 3.81 2.38 -3.68 4.42 4.77 0.16 -4.91 117.00 123.95 2hle n LEU 20 Ca 0.05 0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 56.17 2hle n LEU 20 Cb 0.51 -1.04 -0.09 0.00 -2.33 0.00 0.00 43.42 40.47 2hle n LEU 20 CO 0.52 0.66 0.21 -0.22 -1.33 0.00 0.00 177.39 177.23 2hle s LEU 21 N -7.30 -0.17 -0.24 2.23 2.96 -0.41 -4.89 118.68 110.86 2hle s LEU 21 Ca -0.26 1.11 -0.03 0.00 -0.22 0.00 0.00 54.13 54.73 2hle s LEU 21 Cb 0.07 1.84 0.10 0.00 0.50 0.00 0.00 46.19 48.70 2hle s LEU 21 CO 0.69 -0.19 0.20 0.21 -1.32 0.00 0.00 176.35 175.94 2hle s ASN 22 N 0.61 2.03 0.34 3.68 3.84 -1.26 -0.76 114.94 123.42 2hle s ASN 22 Ca -0.03 -0.63 0.08 0.00 0.21 0.00 0.00 52.86 52.49 2hle s ASN 22 Cb -0.05 0.18 0.63 0.00 -0.55 0.00 0.00 41.25 41.47 2hle s ASN 22 CO -0.04 -0.37 1.82 0.71 -2.79 0.00 0.00 177.10 176.44 2hle h THR 23 N 6.33 1.23 -0.87 -5.21 1.35 -1.92 -3.17 112.91 110.66 2hle h THR 23 Ca -0.16 -1.08 0.09 0.00 -0.55 0.00 0.00 66.41 64.71 2hle h THR 23 Cb 1.10 1.37 -0.07 0.00 -1.73 0.00 0.00 68.15 68.82 2hle h THR 23 CO 0.33 0.33 0.53 0.11 -0.25 0.00 0.00 175.52 176.57 2hle h LYS 24 N 0.25 0.88 -2.49 4.72 1.57 -1.89 -2.92 116.57 116.68 2hle h LYS 24 Ca 0.04 -0.05 -0.79 0.00 -1.87 0.00 0.00 60.65 57.98 2hle h LYS 24 Cb 0.55 -0.20 -0.23 0.00 0.08 0.00 0.00 32.23 32.43 2hle h LYS 24 CO 0.04 0.58 1.38 1.28 -0.57 0.00 0.00 179.45 182.16 2hle n LEU 25 N -4.67 7.38 -3.73 2.94 4.77 -1.20 -4.82 117.00 117.67 2hle n LEU 25 Ca 0.14 -5.21 -0.14 0.00 -0.03 0.00 0.00 56.01 50.77 2hle n LEU 25 Cb 0.25 -1.24 -0.15 0.00 -2.33 0.00 0.00 43.42 39.95 2hle n LEU 25 CO 0.29 1.97 -0.23 -0.70 -1.33 0.00 0.00 177.39 177.39 2hle s GLU 26 N -3.15 0.08 0.00 3.23 2.12 -1.10 -4.93 118.70 114.95 2hle s GLU 26 Ca 0.42 0.40 0.14 0.00 0.36 0.00 0.00 54.97 56.29 2hle s GLU 26 Cb 0.17 -0.20 0.36 0.00 0.26 0.00 0.00 34.13 34.72 2hle s GLU 26 CO -0.08 -0.19 1.29 2.41 -0.54 0.00 0.00 175.26 178.14 2hle n THR 27 N 4.42 0.87 -4.64 -1.70 -1.04 -1.26 -4.49 114.28 106.44 2hle n THR 27 Ca -0.23 -0.94 -0.29 0.00 -2.04 0.00 0.00 64.05 60.56 2hle n THR 27 Cb 0.51 0.60 -0.08 0.00 -1.82 0.00 0.00 70.33 69.54 2hle n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hle s ALA 28 N -1.03 3.52 0.49 2.41 0.00 -1.26 -5.09 121.76 120.80 2hle s ALA 28 Ca 0.29 -0.90 -0.22 0.00 0.00 0.00 0.00 51.96 51.13 2hle s ALA 28 Cb 0.15 0.34 -0.07 0.00 0.00 0.00 0.00 23.12 23.55 2hle s ALA 28 CO 0.20 -0.16 1.20 -0.51 0.00 0.00 0.00 175.76 176.50 2hle s ASP 29 N -3.75 5.92 0.01 0.00 1.01 -1.26 -4.93 116.67 113.67 2hle s ASP 29 Ca 0.16 2.40 0.04 0.00 0.71 0.00 0.00 52.55 55.85 2hle s ASP 29 Cb 0.03 -2.61 -0.25 0.00 1.01 0.00 0.00 42.92 41.10 2hle s ASP 29 CO 0.09 -1.10 0.88 -0.07 0.21 0.00 0.00 175.17 175.18 2hle h LEU 30 N 1.83 0.17 -1.59 1.23 3.38 -1.98 -3.48 115.31 114.87 2hle h LEU 30 Ca -0.50 -0.26 -0.41 0.00 0.09 0.00 0.00 57.88 56.80 2hle h LEU 30 Cb 1.26 -0.06 0.07 0.00 0.09 0.00 0.00 40.66 42.03 2hle h LEU 30 CO 0.59 1.22 -0.80 0.29 0.09 0.00 0.00 178.44 179.83 2hle n LYS 31 N -3.30 -5.54 -2.03 1.13 4.76 -1.26 -4.92 118.16 106.99 2hle n LYS 31 Ca -0.13 0.68 -0.28 0.00 -2.87 0.00 0.00 58.31 55.70 2hle n LYS 31 Cb 1.02 -5.41 0.07 0.00 -1.84 0.00 0.00 35.03 28.88 2hle n LYS 31 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2hle s TRP 32 N -3.54 3.03 -0.17 2.13 0.51 -1.26 -4.90 118.94 114.75 2hle s TRP 32 Ca 0.13 0.69 -0.13 0.00 -2.12 0.00 0.00 56.10 54.67 2hle s TRP 32 Cb -0.06 -3.27 -0.05 0.00 -0.81 0.00 0.00 33.47 29.28 2hle s TRP 32 CO 0.79 -1.49 0.25 0.08 -0.51 0.00 0.00 176.95 176.07 2hle s VAL 33 N -3.39 5.33 0.16 4.03 1.01 -0.04 -4.89 120.40 122.61 2hle s VAL 33 Ca 0.60 0.45 0.08 0.00 0.00 0.00 0.00 61.98 63.11 2hle s VAL 33 Cb -0.11 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2hle s VAL 33 CO 0.48 0.42 -0.09 0.42 0.00 0.00 0.00 175.10 176.32 2hle s THR 34 N 0.35 3.25 -0.16 3.92 -4.23 -1.26 -0.09 115.64 117.42 2hle s THR 34 Ca 0.14 -1.54 -0.14 0.00 -1.18 0.00 0.00 61.69 58.98 2hle s THR 34 Cb -0.12 -2.58 0.04 0.00 1.34 0.00 0.00 72.50 71.18 2hle s THR 34 CO 0.03 -0.04 0.43 0.12 -0.54 0.00 0.00 174.62 174.61 2hle s PHE 35 N -1.55 -0.49 0.50 3.99 5.36 -0.34 -4.52 117.98 120.93 2hle s PHE 35 Ca 0.24 1.17 -0.19 0.00 -0.96 0.00 0.00 56.93 57.19 2hle s PHE 35 Cb -0.09 0.18 -0.08 0.00 -0.34 0.00 0.00 43.02 42.68 2hle s PHE 35 CO 0.15 -0.24 1.01 -1.25 -1.46 0.00 0.00 175.22 173.43 2hle s PRO 36 N 0.38 3.83 -1.35 10.12 0.04 -1.26 -0.87 135.00 145.89 2hle s PRO 36 Ca -0.01 1.19 -0.16 0.00 0.04 0.00 0.00 61.00 62.06 2hle s PRO 36 Cb -0.04 -2.11 0.08 0.00 0.04 0.00 0.00 34.50 32.47 2hle s PRO 36 CO -0.01 -0.38 1.89 1.04 0.04 0.00 0.00 177.00 179.58 2hle n GLN 37 N -1.23 3.12 -4.22 4.56 6.02 -1.26 -4.71 117.38 119.67 2hle n GLN 37 Ca 0.08 -3.11 -0.14 0.00 -0.01 0.00 0.00 57.00 53.82 2hle n GLN 37 Cb 0.53 -3.34 -0.10 0.00 1.02 0.00 0.00 30.24 28.35 2hle n GLN 37 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2hle s VAL 38 N 3.33 1.03 0.17 5.09 -7.23 -1.26 -5.07 120.40 116.46 2hle s VAL 38 Ca 0.49 -1.93 -0.33 0.00 -1.81 0.00 0.00 61.98 58.41 2hle s VAL 38 Cb 0.07 -1.69 -0.12 0.00 0.56 0.00 0.00 36.38 35.20 2hle s VAL 38 CO 0.01 -0.72 1.70 -0.67 -0.31 0.00 0.00 175.10 175.11 2hle n ASP 39 N 0.04 3.73 0.00 4.85 -0.08 -1.26 -1.12 116.55 122.70 2hle n ASP 39 Ca -0.12 1.05 0.00 0.00 -1.51 0.00 0.00 54.79 54.21 2hle n ASP 39 Cb 0.60 -1.52 0.00 0.00 2.34 0.00 0.00 41.12 42.54 2hle n ASP 39 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2hle n GLY 40 N 3.86 2.25 3.52 0.27 0.00 -1.26 -5.07 105.19 108.75 2hle n GLY 40 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2hle n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hle n GLN 41 N -0.55 -1.71 -1.42 1.61 10.64 -0.28 -4.62 117.38 121.06 2hle n GLN 41 Ca 0.00 -0.46 -0.33 0.00 -1.83 0.00 0.00 57.00 54.39 2hle n GLN 41 Cb 0.00 -2.19 0.09 0.00 -0.86 0.00 0.00 30.24 27.28 2hle n GLN 41 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 2hle s TRP 42 N -2.47 2.30 -0.09 2.61 0.52 -1.26 -4.83 118.94 115.73 2hle s TRP 42 Ca 0.67 1.60 -0.05 0.00 0.02 0.00 0.00 56.10 58.34 2hle s TRP 42 Cb -0.24 -3.26 0.04 0.00 -1.15 0.00 0.00 33.47 28.86 2hle s TRP 42 CO 0.63 -2.14 0.21 -2.00 0.02 0.00 0.00 176.95 173.67 2hle s GLU 43 N -4.27 0.17 0.09 4.98 2.12 -0.56 -4.94 118.70 116.28 2hle s GLU 43 Ca 0.68 0.46 -0.26 0.00 0.36 0.00 0.00 54.97 56.20 2hle s GLU 43 Cb -0.23 -0.12 -0.06 0.00 0.26 0.00 0.00 34.13 33.98 2hle s GLU 43 CO 0.48 -0.15 0.81 -2.00 -0.54 0.00 0.00 175.26 173.86 2hle s GLU 44 N 1.14 4.56 0.08 4.30 2.12 -1.26 -0.87 118.70 128.77 2hle s GLU 44 Ca -0.08 1.18 -0.26 0.00 0.36 0.00 0.00 54.97 56.16 2hle s GLU 44 Cb -0.10 -3.35 0.08 0.00 0.26 0.00 0.00 34.13 31.03 2hle s GLU 44 CO -0.07 0.33 0.80 -0.48 -0.54 0.00 0.00 175.26 175.30 2hle s LEU 45 N -0.27 -0.40 0.40 2.70 -0.00 -0.94 -5.01 118.68 115.17 2hle s LEU 45 Ca 0.40 -0.09 -0.24 0.00 -0.00 0.00 0.00 54.13 54.20 2hle s LEU 45 Cb -0.22 2.25 -0.09 0.00 -0.00 0.00 0.00 46.19 48.14 2hle s LEU 45 CO 0.25 -0.80 1.10 -0.44 -0.00 0.00 0.00 176.35 176.46 2hle s SER 46 N -2.64 6.64 0.37 1.48 0.01 -1.26 -0.34 113.70 117.95 2hle s SER 46 Ca 0.05 2.17 -0.07 0.00 1.31 0.00 0.00 55.95 59.40 2hle s SER 46 Cb -0.01 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.65 2hle s SER 46 CO -0.08 -0.58 0.62 -0.83 0.41 0.00 0.00 173.24 172.78 2hle s GLY 47 N -1.39 1.07 0.10 3.44 0.00 -0.16 -4.85 107.32 105.54 2hle s GLY 47 Ca 0.58 -1.23 -0.02 0.00 0.00 0.00 0.00 44.72 44.05 2hle s GLY 47 CO 0.32 -0.72 0.28 1.08 0.00 0.00 0.00 173.10 174.06 2hle s LEU 48 N -3.18 4.32 0.52 0.66 1.02 -1.26 -0.32 118.68 120.44 2hle s LEU 48 Ca 0.24 0.39 0.03 0.00 0.02 0.00 0.00 54.13 54.82 2hle s LEU 48 Cb -0.03 -3.10 0.01 0.00 0.02 0.00 0.00 46.19 43.10 2hle s LEU 48 CO 0.17 0.11 0.19 1.51 0.02 0.00 0.00 176.35 178.35 2hle s ASP 49 N -2.53 4.36 0.65 2.29 -4.77 -1.13 -4.93 116.67 110.61 2hle s ASP 49 Ca 0.37 -1.46 0.33 0.00 -3.30 0.00 0.00 52.55 48.49 2hle s ASP 49 Cb -0.13 0.46 1.80 0.00 -1.09 0.00 0.00 42.92 43.96 2hle s ASP 49 CO 0.27 -0.96 2.03 -0.08 0.70 0.00 0.00 175.17 177.12 2hle h GLU 50 N 1.08 0.00 0.00 2.11 4.81 -2.00 1.18 114.58 121.76 2hle h GLU 50 Ca -0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2hle h GLU 50 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2hle h GLU 50 CO 0.66 0.00 -0.04 0.93 -0.73 0.00 0.00 179.01 179.84 2hle h GLU 51 N 0.00 0.00 -0.06 1.92 5.08 -2.04 -3.48 114.58 116.01 2hle h GLU 51 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2hle h GLU 51 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2hle h GLU 51 CO -0.00 0.00 -0.01 1.04 -1.00 0.00 0.00 179.01 179.04 2hle n GLN 52 N -2.47 -0.05 -4.24 2.33 1.13 0.41 -5.05 117.38 109.44 2hle n GLN 52 Ca 0.05 0.28 -0.32 0.00 -1.94 0.00 0.00 57.00 55.07 2hle n GLN 52 Cb 0.46 -3.81 -0.08 0.00 0.11 0.00 0.00 30.24 26.91 2hle n GLN 52 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2hle s HIS 53 N -2.03 3.11 -0.17 1.08 3.76 -1.26 -4.82 115.29 114.96 2hle s HIS 53 Ca 0.00 0.10 -0.29 0.00 -0.15 0.00 0.00 55.06 54.71 2hle s HIS 53 Cb 0.00 -1.67 -0.01 0.00 1.11 0.00 0.00 32.58 32.01 2hle s HIS 53 CO 0.00 0.48 1.15 0.45 -0.85 0.00 0.00 174.74 175.97 2hle s SER 54 N -1.63 7.04 0.14 1.40 0.15 -1.26 -2.85 113.70 116.69 2hle s SER 54 Ca 0.20 1.58 0.04 0.00 0.70 0.00 0.00 55.95 58.47 2hle s SER 54 Cb -0.12 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 2hle s SER 54 CO 0.11 -0.68 -0.08 0.68 1.20 0.00 0.00 173.24 174.47 2hle s VAL 55 N 3.13 1.01 -0.08 4.45 -7.23 0.56 -4.95 120.40 117.29 2hle s VAL 55 Ca 0.50 -2.02 -0.29 0.00 -1.81 0.00 0.00 61.98 58.36 2hle s VAL 55 Cb -0.19 -1.86 -0.06 0.00 0.56 0.00 0.00 36.38 34.82 2hle s VAL 55 CO 0.12 -0.73 1.89 -0.13 -0.31 0.00 0.00 175.10 175.94 2hle s ARG 56 N -3.79 3.89 0.31 4.82 1.81 -1.26 -0.99 118.95 123.74 2hle s ARG 56 Ca 0.17 2.23 0.10 0.00 -1.72 0.00 0.00 55.73 56.51 2hle s ARG 56 Cb 0.04 -4.14 -0.05 0.00 -0.45 0.00 0.00 34.95 30.34 2hle s ARG 56 CO 0.00 -1.22 -0.10 0.95 -0.68 0.00 0.00 175.30 174.25 2hle s THR 57 N 5.26 2.58 -0.06 0.02 -4.23 0.53 -4.74 115.64 115.01 2hle s THR 57 Ca 0.84 -2.19 0.05 0.00 -1.18 0.00 0.00 61.69 59.22 2hle s THR 57 Cb -0.35 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 70.90 2hle s THR 57 CO 0.36 -0.30 -0.22 -0.31 -0.54 0.00 0.00 174.62 173.60 2hle s TYR 58 N -2.51 2.25 0.06 3.99 2.02 -0.81 -2.21 117.35 120.13 2hle s TYR 58 Ca 0.32 -0.71 0.08 0.00 -0.37 0.00 0.00 57.07 56.39 2hle s TYR 58 Cb -0.02 -1.49 -0.03 0.00 -0.40 0.00 0.00 41.96 40.02 2hle s TYR 58 CO 0.17 -0.24 -0.23 -1.21 -1.57 0.00 0.00 175.55 172.47 2hle s GLU 59 N -0.00 1.47 -0.01 -0.62 2.02 -0.05 -0.28 118.70 121.23 2hle s GLU 59 Ca -0.07 -1.05 0.02 0.00 0.02 0.00 0.00 54.97 53.90 2hle s GLU 59 Cb -0.14 -1.66 -0.01 0.00 0.10 0.00 0.00 34.13 32.43 2hle s GLU 59 CO 0.04 0.42 -0.08 0.54 0.02 0.00 0.00 175.26 176.20 2hle s VAL 60 N -0.87 0.62 -0.47 2.63 0.11 -0.75 -1.49 120.40 120.17 2hle s VAL 60 Ca 0.09 -0.33 0.06 0.00 -2.93 0.00 0.00 61.98 58.87 2hle s VAL 60 Cb -0.09 -0.52 0.24 0.00 -1.53 0.00 0.00 36.38 34.48 2hle s VAL 60 CO 0.03 0.17 0.82 0.00 -3.33 0.00 0.00 175.10 172.79 2hle n ASP 62 N 1.70 5.96 0.11 0.00 2.03 -1.26 -4.91 116.55 120.17 2hle n ASP 62 Ca 0.12 -3.72 -0.01 0.00 0.52 0.00 0.00 54.79 51.69 2hle n ASP 62 Cb 0.61 -0.82 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 2hle n ASP 62 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2hle h VAL 63 N 2.49 1.27 0.00 5.18 -1.51 -1.84 -2.48 116.25 119.35 2hle h VAL 63 Ca 0.37 -2.66 0.00 0.00 -1.23 0.00 0.00 66.70 63.18 2hle h VAL 63 Cb 0.44 2.54 0.00 0.00 -2.13 0.00 0.00 31.29 32.14 2hle h VAL 63 CO 1.05 0.69 -0.96 0.00 -1.23 0.00 0.00 177.57 177.12 2hle n GLN 64 N -3.35 2.03 -0.09 5.19 3.00 -1.25 -2.23 117.38 120.69 2hle n GLN 64 Ca 0.01 -0.05 -0.17 0.00 -0.01 0.00 0.00 57.00 56.78 2hle n GLN 64 Cb 0.79 -1.09 -0.12 0.00 0.00 0.00 0.00 30.24 29.83 2hle n GLN 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2hle h ARG 65 N 0.00 0.00 -5.31 -1.09 3.08 -1.87 -3.45 114.38 105.74 2hle h ARG 65 Ca 0.00 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.32 2hle h ARG 65 Cb 0.33 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.41 2hle h ARG 65 CO 0.00 0.94 0.27 0.00 -1.07 0.00 0.00 179.97 180.11 2hle n ALA 66 N -3.05 -2.48 -3.24 0.04 0.00 -0.94 -4.98 120.51 105.86 2hle n ALA 66 Ca -0.21 0.50 -0.29 0.00 0.00 0.00 0.00 53.44 53.44 2hle n ALA 66 Cb 0.56 -1.61 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 2hle n ALA 66 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2hle n PRO 67 N 2.19 3.01 -0.64 0.00 -0.04 -1.26 -4.87 135.00 133.39 2hle n PRO 67 Ca 0.21 -4.71 0.00 0.00 -0.04 0.00 0.00 63.50 58.96 2hle n PRO 67 Cb 0.02 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 2hle n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hle n GLY 68 N 0.61 0.73 3.78 0.55 0.00 -1.26 -5.07 105.19 104.52 2hle n GLY 68 Ca 0.30 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 2hle n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2hle s GLN 69 N -1.35 2.90 -0.14 1.61 -0.44 -1.26 -5.10 119.66 115.88 2hle s GLN 69 Ca 0.00 -0.72 0.02 0.00 -2.50 0.00 0.00 55.36 52.16 2hle s GLN 69 Cb 0.00 -2.72 0.01 0.00 -1.64 0.00 0.00 33.01 28.66 2hle s GLN 69 CO 0.00 0.55 -0.21 0.00 0.50 0.00 0.00 175.29 176.13 2hle s ALA 70 N -1.46 2.30 -0.39 1.58 0.00 -1.26 -4.58 121.76 117.94 2hle s ALA 70 Ca 0.30 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 2hle s ALA 70 Cb -0.12 -1.03 0.04 0.00 0.00 0.00 0.00 23.12 22.02 2hle s ALA 70 CO 0.22 0.00 0.24 -1.01 0.00 0.00 0.00 175.76 175.22 2hle s HIS 71 N 0.76 3.26 -0.07 0.00 0.09 -0.50 -4.23 115.29 114.61 2hle s HIS 71 Ca -0.08 -1.07 -0.11 0.00 -0.00 0.00 0.00 55.06 53.80 2hle s HIS 71 Cb -0.16 -2.61 -0.05 0.00 -0.00 0.00 0.00 32.58 29.76 2hle s HIS 71 CO -0.00 -0.70 0.27 -1.58 -0.00 0.00 0.00 174.74 172.72 2hle s TRP 72 N 1.54 3.66 -0.05 1.40 0.52 -0.05 -1.29 118.94 124.65 2hle s TRP 72 Ca 0.02 0.75 0.05 0.00 0.02 0.00 0.00 56.10 56.94 2hle s TRP 72 Cb -0.20 -2.11 -0.01 0.00 -1.15 0.00 0.00 33.47 30.00 2hle s TRP 72 CO 0.06 0.68 -0.22 -1.17 0.02 0.00 0.00 176.95 176.32 2hle s LEU 73 N -1.01 2.01 -0.03 2.99 2.96 -0.19 -1.20 118.68 124.21 2hle s LEU 73 Ca 0.19 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 2hle s LEU 73 Cb -0.14 -1.22 0.02 0.00 0.50 0.00 0.00 46.19 45.35 2hle s LEU 73 CO 0.08 0.21 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.69 2hle s ARG 74 N -0.06 0.54 1.25 1.98 3.52 0.88 0.02 118.95 127.08 2hle s ARG 74 Ca -0.04 -0.05 -0.17 0.00 -0.13 0.00 0.00 55.73 55.34 2hle s ARG 74 Cb -0.13 -0.61 0.31 0.00 -1.56 0.00 0.00 34.95 32.95 2hle s ARG 74 CO 0.03 -0.07 1.01 0.95 -0.81 0.00 0.00 175.30 176.41 2hle s THR 75 N 0.77 1.66 1.06 4.11 -4.23 -0.17 -0.86 115.64 117.97 2hle s THR 75 Ca -0.09 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.26 2hle s THR 75 Cb -0.12 -2.17 0.22 0.00 1.34 0.00 0.00 72.50 71.77 2hle s THR 75 CO -0.01 0.00 1.15 -0.83 -0.54 0.00 0.00 174.62 174.39 2hle s GLY 76 N -3.04 1.61 0.13 3.99 0.00 -1.26 -4.64 107.32 104.11 2hle s GLY 76 Ca 0.69 -0.79 -0.31 0.00 0.00 0.00 0.00 44.72 44.30 2hle s GLY 76 CO 0.60 -0.05 1.41 0.86 0.00 0.00 0.00 173.10 175.92 2hle s TRP 77 N -3.22 3.22 -0.27 1.90 -0.00 -1.26 -4.65 118.94 114.66 2hle s TRP 77 Ca 0.69 0.91 -0.03 0.00 -0.00 0.00 0.00 56.10 57.67 2hle s TRP 77 Cb -0.11 -3.72 0.02 0.00 -0.00 0.00 0.00 33.47 29.66 2hle s TRP 77 CO 0.55 -2.52 -0.01 0.08 -0.00 0.00 0.00 176.95 175.05 2hle s VAL 78 N 1.06 3.26 0.04 5.86 1.01 0.54 -4.93 120.40 127.25 2hle s VAL 78 Ca 0.65 -0.92 -0.33 0.00 0.00 0.00 0.00 61.98 61.37 2hle s VAL 78 Cb -0.38 -2.68 -0.12 0.00 0.00 0.00 0.00 36.38 33.20 2hle s VAL 78 CO 0.31 0.14 1.76 -2.65 0.00 0.00 0.00 175.10 174.66 2hle n PRO 79 N 4.74 2.29 0.26 2.72 -0.02 -1.26 -1.86 135.00 141.86 2hle n PRO 79 Ca -0.16 0.83 0.13 0.00 -2.02 0.00 0.00 63.50 62.29 2hle n PRO 79 Cb 0.47 -2.66 0.70 0.00 -0.02 0.00 0.00 33.50 31.99 2hle n PRO 79 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2hle h ARG 80 N 7.89 0.00 0.00 -0.52 2.43 -1.55 -3.48 114.38 119.16 2hle h ARG 80 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2hle h ARG 80 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2hle h ARG 80 CO 0.92 0.12 0.00 0.54 -1.51 0.00 0.00 179.97 180.05 2hle n ARG 81 N -3.50 0.00 -0.11 0.20 1.74 -1.26 -0.91 116.66 112.83 2hle n ARG 81 Ca -0.01 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.11 2hle n ARG 81 Cb 0.27 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 31.81 2hle n ARG 81 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hle n GLY 82 N 0.00 3.22 3.73 -0.13 0.00 -1.26 -5.05 105.19 105.71 2hle n GLY 82 Ca 0.00 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 2hle n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hle s ALA 83 N -1.37 3.35 -0.21 4.61 0.00 -0.08 -4.93 121.76 123.13 2hle s ALA 83 Ca 0.15 0.78 -0.01 0.00 0.00 0.00 0.00 51.96 52.89 2hle s ALA 83 Cb 0.10 -3.36 -0.13 0.00 0.00 0.00 0.00 23.12 19.74 2hle s ALA 83 CO 0.07 -0.23 -0.20 0.28 0.00 0.00 0.00 175.76 175.68 2hle n VAL 84 N 2.72 1.19 -5.06 0.00 0.31 -1.26 -4.58 118.33 111.65 2hle n VAL 84 Ca 0.04 -0.43 -0.32 0.00 -0.01 0.00 0.00 64.34 63.62 2hle n VAL 84 Cb 0.47 -1.34 -0.16 0.00 -0.91 0.00 0.00 33.84 31.90 2hle n VAL 84 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2hle s HIS 85 N -2.41 2.63 -0.02 3.52 3.76 -1.26 0.20 115.29 121.71 2hle s HIS 85 Ca -0.28 -0.97 -0.00 0.00 -0.15 0.00 0.00 55.06 53.65 2hle s HIS 85 Cb 0.08 -1.75 -0.04 0.00 1.11 0.00 0.00 32.58 31.98 2hle s HIS 85 CO 0.46 -0.38 0.04 0.08 -0.85 0.00 0.00 174.74 174.08 2hle s VAL 86 N 0.39 4.46 -0.04 -0.90 1.01 -0.88 -4.59 120.40 119.85 2hle s VAL 86 Ca -0.16 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 2hle s VAL 86 Cb -0.17 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 2hle s VAL 86 CO 0.07 0.41 0.13 -0.31 0.00 0.00 0.00 175.10 175.40 2hle s TYR 87 N -1.09 3.45 -0.27 5.22 4.12 0.07 -2.73 117.35 126.12 2hle s TYR 87 Ca 0.20 0.33 -0.01 0.00 0.02 0.00 0.00 57.07 57.61 2hle s TYR 87 Cb -0.12 -1.82 0.08 0.00 -1.52 0.00 0.00 41.96 38.59 2hle s TYR 87 CO 0.10 0.62 0.06 0.00 0.02 0.00 0.00 175.55 176.36 2hle s ALA 88 N -1.19 1.40 -0.24 3.71 0.00 -0.62 -2.29 121.76 122.53 2hle s ALA 88 Ca 0.22 -1.34 -0.16 0.00 0.00 0.00 0.00 51.96 50.69 2hle s ALA 88 Cb -0.12 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 2hle s ALA 88 CO 0.13 -1.47 0.41 0.99 0.00 0.00 0.00 175.76 175.81 2hle s THR 89 N 1.68 5.17 -0.10 0.00 2.01 0.05 -0.93 115.64 123.51 2hle s THR 89 Ca 0.05 0.67 -0.01 0.00 0.31 0.00 0.00 61.69 62.72 2hle s THR 89 Cb -0.17 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 2hle s THR 89 CO -0.18 0.18 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.11 2hle s LEU 90 N 1.83 3.21 -0.09 4.42 1.43 0.14 -1.08 118.68 128.53 2hle s LEU 90 Ca 0.17 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 2hle s LEU 90 Cb -0.15 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 2hle s LEU 90 CO 0.09 0.30 -0.17 -0.13 0.23 0.00 0.00 176.35 176.67 2hle s ARG 91 N -0.42 2.99 0.17 1.70 0.52 -0.09 -1.71 118.95 122.12 2hle s ARG 91 Ca 0.06 -0.75 -0.17 0.00 -0.52 0.00 0.00 55.73 54.35 2hle s ARG 91 Cb -0.12 -2.44 0.03 0.00 0.52 0.00 0.00 34.95 32.94 2hle s ARG 91 CO 0.02 0.33 0.49 -0.59 0.02 0.00 0.00 175.30 175.58 2hle s PHE 92 N 0.01 -0.15 0.05 -0.53 -0.12 -0.61 -0.80 117.98 115.83 2hle s PHE 92 Ca -0.06 -0.17 0.09 0.00 -0.05 0.00 0.00 56.93 56.74 2hle s PHE 92 Cb -0.15 0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 42.57 2hle s PHE 92 CO 0.05 -0.85 -0.26 0.95 -0.05 0.00 0.00 175.22 175.05 2hle s THR 93 N -3.85 2.13 -0.04 -4.49 -4.23 -0.59 0.06 115.64 104.62 2hle s THR 93 Ca 0.07 -1.39 -0.00 0.00 -1.18 0.00 0.00 61.69 59.19 2hle s THR 93 Cb -0.00 -1.82 0.03 0.00 1.34 0.00 0.00 72.50 72.04 2hle s THR 93 CO -0.06 0.36 0.00 -0.32 -0.54 0.00 0.00 174.62 174.07 2hle s MET 94 N -1.24 0.39 0.29 3.99 0.00 -1.26 -1.16 119.30 120.30 2hle s MET 94 Ca 0.12 0.11 -0.26 0.00 0.00 0.00 0.00 55.69 55.65 2hle s MET 94 Cb -0.10 -0.65 -0.09 0.00 0.00 0.00 0.00 34.83 33.98 2hle s MET 94 CO 0.02 -0.20 0.92 -0.51 0.00 0.00 0.00 175.02 175.25 2hle s LEU 95 N 1.41 4.42 0.11 4.11 2.01 0.78 0.08 118.68 131.60 2hle s LEU 95 Ca -0.04 1.83 -0.31 0.00 0.01 0.00 0.00 54.13 55.61 2hle s LEU 95 Cb -0.13 -3.86 -0.08 0.00 0.01 0.00 0.00 46.19 42.13 2hle s LEU 95 CO -0.03 0.00 1.39 -0.70 1.01 0.00 0.00 176.35 178.03 2hle s GLU 96 N -1.81 4.32 0.06 1.70 2.12 -0.97 -4.73 118.70 119.39 2hle s GLU 96 Ca 0.47 2.07 -0.21 0.00 0.36 0.00 0.00 54.97 57.67 2hle s GLU 96 Cb -0.20 -3.26 -0.12 0.00 0.26 0.00 0.00 34.13 30.81 2hle s GLU 96 CO 0.26 -0.44 1.47 0.00 -0.54 0.00 0.00 175.26 176.00 2hle n LEU 98 N -4.71 0.00 -0.13 0.00 4.77 -1.26 -1.91 117.00 113.76 2hle n LEU 98 Ca -0.05 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.97 2hle n LEU 98 Cb 0.24 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 2hle n LEU 98 CO 0.37 0.00 0.12 -1.54 -1.33 0.00 0.00 177.39 175.01 2hle n SER 99 N -0.60 0.88 -4.80 -1.43 3.41 -1.00 -4.99 113.62 105.09 2hle n SER 99 Ca 0.04 -0.94 -0.38 0.00 -0.26 0.00 0.00 58.87 57.32 2hle n SER 99 Cb 0.02 0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 64.58 2hle n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2hle s LEU 100 N -1.89 4.44 0.45 1.04 1.43 -0.80 -4.86 118.68 118.49 2hle s LEU 100 Ca 0.06 1.03 -0.22 0.00 -1.03 0.00 0.00 54.13 53.97 2hle s LEU 100 Cb 0.07 -2.72 -0.09 0.00 0.03 0.00 0.00 46.19 43.49 2hle s LEU 100 CO 0.28 0.23 1.05 -2.84 0.23 0.00 0.00 176.35 175.30 2hle s PRO 101 N -0.66 3.95 -1.64 1.29 0.02 -1.26 -3.69 135.00 133.00 2hle s PRO 101 Ca 0.26 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.75 2hle s PRO 101 Cb -0.17 -2.32 0.00 0.00 0.02 0.00 0.00 34.50 32.03 2hle s PRO 101 CO 0.15 -0.32 0.00 2.89 -0.33 0.00 0.00 177.00 179.39 2hle n ARG 102 N -0.54 -1.28 -2.57 5.54 -4.01 -1.26 -4.98 116.66 107.56 2hle n ARG 102 Ca 0.07 1.04 -0.41 0.00 -1.04 0.00 0.00 57.85 57.51 2hle n ARG 102 Cb 0.51 -5.29 -0.04 0.00 -3.04 0.00 0.00 32.46 24.60 2hle n ARG 102 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2hle s ALA 103 N -2.47 3.36 0.18 2.89 0.00 -1.24 -3.82 121.76 120.66 2hle s ALA 103 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.73 2hle s ALA 103 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2hle s ALA 103 CO 0.00 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2hle n GLY 104 N 1.77 1.46 0.22 0.00 0.00 -0.94 -4.85 105.19 102.85 2hle n GLY 104 Ca 0.01 -1.95 0.10 0.00 0.00 0.00 0.00 46.02 44.18 2hle n GLY 104 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2hle h ARG 105 N 0.00 0.00 0.00 1.61 -0.00 -1.93 -3.29 114.38 110.77 2hle h ARG 105 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2hle h ARG 105 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 2hle h ARG 105 CO 0.00 0.22 0.00 0.77 0.00 0.00 0.00 179.97 180.96 2hle h SER 106 N 0.00 0.00 -2.65 7.04 0.02 -1.90 -3.46 113.55 112.60 2hle h SER 106 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 2hle h SER 106 Cb 0.78 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.35 2hle h SER 106 CO 0.03 0.00 1.02 0.00 -1.14 0.00 0.00 176.83 176.74 2hle s LYS 108 N 2.32 1.99 -0.32 0.00 -0.14 0.11 -4.92 119.74 118.79 2hle s LYS 108 Ca 0.76 -1.31 0.08 0.00 -1.36 0.00 0.00 55.97 54.13 2hle s LYS 108 Cb -0.43 -2.12 0.51 0.00 -1.68 0.00 0.00 37.83 34.11 2hle s LYS 108 CO 0.33 0.43 1.50 0.39 -0.76 0.00 0.00 175.35 177.24 2hle n GLU 109 N 0.03 2.00 -3.99 1.68 1.02 -1.26 -3.94 120.64 116.18 2hle n GLU 109 Ca -0.11 -3.26 -0.10 0.00 -0.02 0.00 0.00 57.16 53.68 2hle n GLU 109 Cb 0.56 -1.89 -0.08 0.00 -0.02 0.00 0.00 31.44 30.01 2hle n GLU 109 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2hle s THR 110 N -3.42 0.07 0.13 2.62 -4.23 -1.26 -3.68 115.64 105.87 2hle s THR 110 Ca 0.47 -1.47 -0.10 0.00 -1.18 0.00 0.00 61.69 59.40 2hle s THR 110 Cb 0.42 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 72.40 2hle s THR 110 CO 0.00 -0.34 0.27 0.72 -0.54 0.00 0.00 174.62 174.73 2hle s PHE 111 N -3.98 0.21 0.09 3.99 -0.12 -0.42 -4.48 117.98 113.27 2hle s PHE 111 Ca 0.18 -0.60 0.09 0.00 -0.05 0.00 0.00 56.93 56.55 2hle s PHE 111 Cb 0.04 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 2hle s PHE 111 CO -0.00 -0.65 -0.21 0.99 -0.05 0.00 0.00 175.22 175.29 2hle s THR 112 N -3.90 2.59 0.03 -4.49 2.01 -0.97 0.87 115.64 111.78 2hle s THR 112 Ca 0.10 -1.46 0.08 0.00 0.31 0.00 0.00 61.69 60.71 2hle s THR 112 Cb 0.04 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 2hle s THR 112 CO -0.06 0.20 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.16 2hle s VAL 113 N -1.01 1.78 0.09 3.82 1.01 -0.56 -0.37 120.40 125.16 2hle s VAL 113 Ca 0.15 -1.20 -0.06 0.00 0.00 0.00 0.00 61.98 60.88 2hle s VAL 113 Cb -0.10 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 2hle s VAL 113 CO 0.07 0.29 0.12 -0.36 0.00 0.00 0.00 175.10 175.22 2hle s PHE 114 N -0.75 0.39 0.19 5.22 0.08 -0.78 0.05 117.98 122.38 2hle s PHE 114 Ca 0.09 -0.83 0.02 0.00 0.12 0.00 0.00 56.93 56.32 2hle s PHE 114 Cb -0.09 -0.21 -0.05 0.00 -0.57 0.00 0.00 43.02 42.11 2hle s PHE 114 CO 0.01 -0.52 0.00 1.52 -0.10 0.00 0.00 175.22 176.14 2hle s TYR 115 N -3.92 1.29 -0.03 0.36 1.13 0.01 -1.10 117.35 115.08 2hle s TYR 115 Ca 0.10 -1.00 -0.01 0.00 -1.41 0.00 0.00 57.07 54.74 2hle s TYR 115 Cb 0.06 -0.73 0.03 0.00 -1.10 0.00 0.00 41.96 40.21 2hle s TYR 115 CO -0.07 -0.18 0.05 -0.47 -2.51 0.00 0.00 175.55 172.36 2hle s TYR 116 N -3.61 0.05 0.26 -3.49 5.04 -0.26 -0.76 117.35 114.57 2hle s TYR 116 Ca 0.25 0.21 -0.06 0.00 -2.44 0.00 0.00 57.07 55.03 2hle s TYR 116 Cb 0.06 -0.38 -0.06 0.00 0.35 0.00 0.00 41.96 41.93 2hle s TYR 116 CO 0.05 -0.15 0.53 -1.21 -1.34 0.00 0.00 175.55 173.43 2hle s GLU 117 N 1.73 3.67 0.13 4.97 2.02 -1.26 -0.03 118.70 129.93 2hle s GLU 117 Ca -0.01 0.05 -0.15 0.00 0.02 0.00 0.00 54.97 54.89 2hle s GLU 117 Cb -0.12 -2.67 0.03 0.00 0.10 0.00 0.00 34.13 31.46 2hle s GLU 117 CO -0.03 0.27 0.38 -1.54 0.02 0.00 0.00 175.26 174.36 2hle s SER 118 N -2.88 -0.18 0.33 -0.19 1.04 -0.42 -4.96 113.70 106.44 2hle s SER 118 Ca 0.44 -0.41 0.17 0.00 0.48 0.00 0.00 55.95 56.64 2hle s SER 118 Cb -0.11 0.47 0.34 0.00 0.10 0.00 0.00 66.02 66.82 2hle s SER 118 CO 0.27 -0.86 1.57 0.44 0.98 0.00 0.00 173.24 175.64 2hle h ASP 119 N 2.41 0.00 -4.77 7.02 3.32 -1.94 -2.82 116.42 119.62 2hle h ASP 119 Ca -0.33 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.44 2hle h ASP 119 Cb 1.25 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.65 2hle h ASP 119 CO 0.47 0.42 -0.65 0.00 -1.72 0.00 0.00 179.24 177.77 2hle s ALA 120 N -3.21 1.32 -1.28 3.45 0.00 -1.26 -4.40 121.76 116.38 2hle s ALA 120 Ca 0.03 -1.64 -0.18 0.00 0.00 0.00 0.00 51.96 50.16 2hle s ALA 120 Cb 0.09 0.79 0.02 0.00 0.00 0.00 0.00 23.12 24.02 2hle s ALA 120 CO 0.71 -0.41 1.89 -3.47 0.00 0.00 0.00 175.76 174.49 2hle n ASP 121 N -0.26 4.22 -0.26 0.00 2.03 -1.26 -4.62 116.55 116.39 2hle n ASP 121 Ca -0.04 -2.85 0.05 0.00 0.52 0.00 0.00 54.79 52.47 2hle n ASP 121 Cb 0.64 -1.68 0.10 0.00 -0.72 0.00 0.00 41.12 39.46 2hle n ASP 121 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2hle n THR 122 N 6.33 1.39 -2.53 5.18 -2.24 -1.26 -4.99 114.28 116.16 2hle n THR 122 Ca 0.49 -1.43 -0.38 0.00 -2.27 0.00 0.00 64.05 60.46 2hle n THR 122 Cb 0.44 0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.85 2hle n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hle s ALA 123 N -1.71 3.18 0.14 6.98 0.00 -1.26 -4.88 121.76 124.21 2hle s ALA 123 Ca 0.18 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.89 2hle s ALA 123 Cb 0.14 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.98 2hle s ALA 123 CO 0.05 -0.18 0.01 0.25 0.00 0.00 0.00 175.76 175.89 2hle n THR 124 N 0.33 0.00 0.32 0.00 -2.24 -0.24 -4.99 114.28 107.46 2hle n THR 124 Ca 0.03 -0.65 0.16 0.00 -2.27 0.00 0.00 64.05 61.32 2hle n THR 124 Cb 0.48 0.07 0.66 0.00 -2.10 0.00 0.00 70.33 69.44 2hle n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hle h ALA 125 N 1.03 1.00 0.00 6.98 0.00 -1.97 -3.30 119.26 122.99 2hle h ALA 125 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2hle h ALA 125 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2hle h ALA 125 CO 0.19 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.72 2hle n LEU 126 N -2.81 0.93 -4.02 0.00 4.77 -1.26 -4.84 117.00 109.77 2hle n LEU 126 Ca 0.01 -0.93 -0.17 0.00 -0.03 0.00 0.00 56.01 54.88 2hle n LEU 126 Cb 0.26 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.21 2hle n LEU 126 CO 0.24 0.23 -0.42 0.42 -1.33 0.00 0.00 177.39 176.53 2hle s THR 127 N -0.15 0.64 1.06 -5.08 -4.23 -1.25 -4.56 115.64 102.07 2hle s THR 127 Ca 0.00 -0.52 -0.17 0.00 -1.18 0.00 0.00 61.69 59.82 2hle s THR 127 Cb 0.00 -0.57 0.23 0.00 1.34 0.00 0.00 72.50 73.50 2hle s THR 127 CO 0.00 0.06 1.22 -2.16 -0.54 0.00 0.00 174.62 173.20 2hle s PRO 128 N -0.51 -0.11 -0.08 3.99 0.04 -1.26 -1.08 135.00 135.98 2hle s PRO 128 Ca 0.01 -0.21 -0.38 0.00 0.04 0.00 0.00 61.00 60.46 2hle s PRO 128 Cb -0.05 -1.74 -0.15 0.00 0.04 0.00 0.00 34.50 32.60 2hle s PRO 128 CO 0.00 -2.94 1.60 0.00 0.04 0.00 0.00 177.00 175.70 2hle n ALA 129 N -4.19 -0.19 -2.63 8.56 0.00 -1.26 -4.83 120.51 115.98 2hle n ALA 129 Ca 0.14 0.43 -0.42 0.00 0.00 0.00 0.00 53.44 53.58 2hle n ALA 129 Cb 0.59 -2.22 -0.01 0.00 0.00 0.00 0.00 19.45 17.81 2hle n ALA 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2hle s TRP 130 N 2.27 2.76 -0.22 0.00 0.52 -1.26 -4.50 118.94 118.50 2hle s TRP 130 Ca 0.91 -1.34 -0.30 0.00 0.02 0.00 0.00 56.10 55.38 2hle s TRP 130 Cb -0.94 -4.67 0.16 0.00 -1.15 0.00 0.00 33.47 26.87 2hle s TRP 130 CO 0.55 -1.81 1.20 0.00 0.02 0.00 0.00 176.95 176.91 2hle s MET 131 N 4.21 0.29 0.21 4.98 0.23 -1.26 -5.12 119.30 122.84 2hle s MET 131 Ca 0.48 0.03 -0.32 0.00 -1.03 0.00 0.00 55.69 54.86 2hle s MET 131 Cb 0.01 0.14 -0.14 0.00 -1.53 0.00 0.00 34.83 33.31 2hle s MET 131 CO -0.01 -0.10 1.27 -1.91 -2.03 0.00 0.00 175.02 172.24 2hle n GLU 132 N 0.48 1.60 -2.59 3.16 2.13 -1.26 -2.65 120.64 121.52 2hle n GLU 132 Ca -0.04 0.57 -0.02 0.00 0.66 0.00 0.00 57.16 58.34 2hle n GLU 132 Cb 0.58 -2.14 -0.01 0.00 0.27 0.00 0.00 31.44 30.14 2hle n GLU 132 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2hle n ASN 133 N 2.01 -4.30 0.00 4.31 5.15 -1.26 -4.55 115.26 116.62 2hle n ASN 133 Ca 0.13 1.26 0.12 0.00 -0.60 0.00 0.00 54.58 55.49 2hle n ASN 133 Cb 0.28 -3.36 0.57 0.00 -0.53 0.00 0.00 39.78 36.75 2hle n ASN 133 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2hle n PRO 134 N 2.06 0.21 -2.52 1.20 -0.04 -1.23 -4.98 135.00 129.71 2hle n PRO 134 Ca -0.13 0.07 -0.40 0.00 -0.04 0.00 0.00 63.50 63.00 2hle n PRO 134 Cb 0.20 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.12 2hle n PRO 134 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2hle s TYR 135 N -2.74 3.60 -0.27 0.54 2.02 -1.08 -4.81 117.35 114.61 2hle s TYR 135 Ca 0.18 1.72 -0.08 0.00 -0.37 0.00 0.00 57.07 58.53 2hle s TYR 135 Cb 0.16 -3.23 -0.02 0.00 -0.40 0.00 0.00 41.96 38.47 2hle s TYR 135 CO 0.40 -0.43 0.09 0.42 -1.57 0.00 0.00 175.55 174.47 2hle s ILE 136 N -1.21 4.40 0.05 2.71 1.01 0.06 -4.46 121.20 123.76 2hle s ILE 136 Ca 0.45 -0.24 -0.31 0.00 0.00 0.00 0.00 60.65 60.56 2hle s ILE 136 Cb -0.30 -3.11 -0.08 0.00 0.01 0.00 0.00 42.46 38.98 2hle s ILE 136 CO 0.39 0.26 1.64 -0.75 0.00 0.00 0.00 174.94 176.48 2hle s LYS 137 N 1.62 4.20 -0.04 2.79 2.20 -1.26 -0.81 119.74 128.43 2hle s LYS 137 Ca 0.06 2.30 -0.02 0.00 -0.36 0.00 0.00 55.97 57.94 2hle s LYS 137 Cb -0.16 -3.63 -0.01 0.00 -1.51 0.00 0.00 37.83 32.52 2hle s LYS 137 CO 0.04 -0.73 -0.04 0.28 -0.36 0.00 0.00 175.35 174.54 2hle h VAL 138 N 4.88 0.00 -2.50 4.02 2.07 -0.71 -3.47 116.25 120.54 2hle h VAL 138 Ca -0.42 -0.35 0.11 0.00 0.82 0.00 0.00 66.70 66.86 2hle h VAL 138 Cb 1.20 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.86 2hle h VAL 138 CO 0.93 0.00 0.42 -0.62 0.02 0.00 0.00 177.57 178.32 2hle s ASP 139 N -4.16 -0.31 -0.15 0.57 2.15 -1.18 -5.01 116.67 108.57 2hle s ASP 139 Ca -0.04 -0.22 -0.08 0.00 0.43 0.00 0.00 52.55 52.65 2hle s ASP 139 Cb 0.00 0.50 -0.04 0.00 -0.30 0.00 0.00 42.92 43.08 2hle s ASP 139 CO 0.05 -0.86 0.12 0.42 -0.17 0.00 0.00 175.17 174.73 2hle s THR 140 N -3.37 5.34 -0.19 1.71 -4.23 -1.26 -1.49 115.64 112.15 2hle s THR 140 Ca 0.08 0.16 -0.01 0.00 -1.18 0.00 0.00 61.69 60.73 2hle s THR 140 Cb -0.02 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.45 2hle s THR 140 CO -0.04 0.54 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.78 2hle s VAL 141 N -0.41 2.82 0.30 2.29 1.01 0.25 -4.96 120.40 121.70 2hle s VAL 141 Ca 0.11 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.48 2hle s VAL 141 Cb -0.12 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2hle s VAL 141 CO 0.01 0.49 0.20 0.00 0.00 0.00 0.00 175.10 175.80 2hle s ALA 142 N 1.17 3.61 -0.22 5.51 0.00 -1.26 -1.30 121.76 129.26 2hle s ALA 142 Ca 0.02 -1.61 -0.09 0.00 0.00 0.00 0.00 51.96 50.27 2hle s ALA 142 Cb -0.14 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 2hle s ALA 142 CO -0.04 0.12 0.13 0.00 0.00 0.00 0.00 175.76 175.97 2hle s ALA 143 N -2.27 3.54 0.29 0.00 0.00 -1.24 -4.97 121.76 117.11 2hle s ALA 143 Ca 0.36 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.55 2hle s ALA 143 Cb -0.06 -2.19 0.45 0.00 0.00 0.00 0.00 23.12 21.32 2hle s ALA 143 CO 0.24 -0.08 1.69 0.93 0.00 0.00 0.00 175.76 178.55 2hle h GLU 144 N 7.25 0.20 -5.05 0.00 4.39 -1.97 -3.44 114.58 115.95 2hle h GLU 144 Ca -0.38 -0.10 -0.50 0.00 0.34 0.00 0.00 59.36 58.72 2hle h GLU 144 Cb 1.17 0.00 -0.31 0.00 -0.10 0.00 0.00 28.75 29.51 2hle h GLU 144 CO 0.68 0.61 -0.81 -1.01 -1.16 0.00 0.00 179.01 177.31 2hle s HIS 145 N -4.07 1.33 0.06 4.33 3.76 -1.26 -5.14 115.29 114.30 2hle s HIS 145 Ca -0.04 -0.34 0.04 0.00 -0.15 0.00 0.00 55.06 54.58 2hle s HIS 145 Cb 0.13 -0.90 -0.04 0.00 1.11 0.00 0.00 32.58 32.88 2hle s HIS 145 CO 0.77 -0.11 -0.03 -0.51 -0.85 0.00 0.00 174.74 174.02 2hle s LEU 146 N -0.00 3.36 -0.06 0.89 1.43 -1.26 -4.51 118.68 118.52 2hle s LEU 146 Ca -0.01 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 2hle s LEU 146 Cb -0.09 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2hle s LEU 146 CO 0.01 0.22 0.02 -0.89 0.23 0.00 0.00 176.35 175.94 2hle s THR 147 N -1.19 4.44 -0.04 5.49 2.01 0.11 -4.47 115.64 121.99 2hle s THR 147 Ca 0.22 -0.30 0.05 0.00 0.31 0.00 0.00 61.69 61.98 2hle s THR 147 Cb -0.11 -2.91 -0.01 0.00 0.01 0.00 0.00 72.50 69.47 2hle s THR 147 CO 0.14 0.53 -0.19 -0.13 -0.69 0.00 0.00 174.62 174.28 2hle s ARG 148 N -1.14 1.90 0.04 4.92 0.52 -0.02 -2.30 118.95 122.89 2hle s ARG 148 Ca 0.16 -0.70 0.03 0.00 -0.52 0.00 0.00 55.73 54.70 2hle s ARG 148 Cb -0.11 -1.68 -0.02 0.00 0.52 0.00 0.00 34.95 33.65 2hle s ARG 148 CO 0.05 0.32 -0.10 0.15 0.02 0.00 0.00 175.30 175.75 2hle s LYS 149 N -0.12 0.63 -0.21 3.54 1.02 -1.26 -0.20 119.74 123.13 2hle s LYS 149 Ca -0.01 -0.71 0.00 0.00 0.02 0.00 0.00 55.97 55.27 2hle s LYS 149 Cb -0.11 -0.51 0.02 0.00 -0.52 0.00 0.00 37.83 36.71 2hle s LYS 149 CO 0.02 0.11 -0.14 1.03 -0.92 0.00 0.00 175.35 175.45 2hle s ARG 150 N -1.32 2.92 -0.17 1.68 0.52 0.91 -4.99 118.95 118.50 2hle s ARG 150 Ca -0.05 -0.90 -0.41 0.00 -0.52 0.00 0.00 55.73 53.85 2hle s ARG 150 Cb -0.08 -2.75 -0.18 0.00 0.52 0.00 0.00 34.95 32.45 2hle s ARG 150 CO 0.01 -0.29 1.42 -2.30 0.02 0.00 0.00 175.30 174.16 2hle n PRO 151 N 4.63 0.54 0.00 3.54 -0.02 -1.26 -0.22 135.00 142.21 2hle n PRO 151 Ca -0.19 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2hle n PRO 151 Cb 0.48 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 2hle n PRO 151 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hle n GLY 152 N 2.99 2.48 0.69 -1.23 0.00 -1.26 -4.76 105.19 104.10 2hle n GLY 152 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.18 2hle n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hle n ALA 153 N 0.17 2.28 -3.58 4.61 0.00 0.70 -5.12 120.51 119.58 2hle n ALA 153 Ca 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 53.44 52.95 2hle n ALA 153 Cb 0.00 0.29 -0.06 0.00 0.00 0.00 0.00 19.45 19.68 2hle n ALA 153 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2hle s GLU 154 N -2.25 0.66 0.00 0.00 2.12 -0.92 -5.00 118.70 113.31 2hle s GLU 154 Ca -0.13 0.23 -0.10 0.00 0.36 0.00 0.00 54.97 55.33 2hle s GLU 154 Cb 0.04 0.31 0.01 0.00 0.26 0.00 0.00 34.13 34.75 2hle s GLU 154 CO 0.17 -0.19 0.21 0.00 -0.54 0.00 0.00 175.26 174.91 2hle s ALA 155 N -0.93 -0.50 0.03 6.30 0.00 -1.26 -0.06 121.76 125.34 2hle s ALA 155 Ca -0.03 0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.01 2hle s ALA 155 Cb -0.01 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 2hle s ALA 155 CO 0.02 -0.25 -0.19 0.95 0.00 0.00 0.00 175.76 176.29 2hle s THR 156 N -1.55 1.52 0.00 0.00 -4.23 0.72 -5.00 115.64 107.10 2hle s THR 156 Ca -0.13 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 2hle s THR 156 Cb -0.06 -1.32 0.00 0.00 1.34 0.00 0.00 72.50 72.46 2hle s THR 156 CO 0.02 0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 2hle n GLY 157 N 1.99 0.29 2.99 3.99 0.00 -1.26 -0.84 105.19 112.35 2hle n GLY 157 Ca -0.17 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 2hle n GLY 157 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hle s LYS 158 N -2.00 0.36 0.20 1.61 2.47 -1.26 -5.05 119.74 116.07 2hle s LYS 158 Ca 0.00 -0.51 -0.30 0.00 -1.56 0.00 0.00 55.97 53.60 2hle s LYS 158 Cb 0.00 -0.14 -0.08 0.00 -1.46 0.00 0.00 37.83 36.15 2hle s LYS 158 CO 0.00 0.02 1.23 0.08 0.16 0.00 0.00 175.35 176.84 2hle s VAL 159 N -1.00 3.43 0.23 4.02 1.01 -1.26 -4.75 120.40 122.08 2hle s VAL 159 Ca -0.09 1.21 -0.27 0.00 0.00 0.00 0.00 61.98 62.84 2hle s VAL 159 Cb -0.07 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 2hle s VAL 159 CO -0.00 0.20 0.87 0.20 0.00 0.00 0.00 175.10 176.36 2hle s ASN 160 N 0.13 7.45 -0.10 3.32 0.01 0.11 -4.91 114.94 120.95 2hle s ASN 160 Ca 0.53 1.78 0.02 0.00 -0.71 0.00 0.00 52.86 54.49 2hle s ASN 160 Cb -0.34 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 38.78 2hle s ASN 160 CO 0.38 0.12 -0.17 -0.69 -1.51 0.00 0.00 177.10 175.24 2hle s VAL 161 N -1.28 1.56 -0.02 1.60 1.01 -1.26 -1.57 120.40 120.44 2hle s VAL 161 Ca 0.41 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.69 2hle s VAL 161 Cb -0.23 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.76 2hle s VAL 161 CO 0.28 0.45 -0.02 -0.75 0.00 0.00 0.00 175.10 175.06 2hle s LYS 162 N 0.74 0.33 -0.22 2.72 2.47 -0.69 -5.00 119.74 120.08 2hle s LYS 162 Ca -0.12 -0.03 -0.01 0.00 -1.56 0.00 0.00 55.97 54.25 2hle s LYS 162 Cb -0.16 -0.41 0.02 0.00 -1.46 0.00 0.00 37.83 35.82 2hle s LYS 162 CO 0.02 -0.03 -0.11 0.99 0.16 0.00 0.00 175.35 176.38 2hle s THR 163 N 0.49 2.65 0.38 3.43 2.01 -1.26 0.27 115.64 123.61 2hle s THR 163 Ca -0.05 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.06 2hle s THR 163 Cb -0.08 -2.26 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 2hle s THR 163 CO -0.01 0.35 0.55 -0.76 -0.69 0.00 0.00 174.62 174.06 2hle s LEU 164 N 1.33 3.87 0.14 4.42 1.43 -0.11 -4.90 118.68 124.86 2hle s LEU 164 Ca 0.02 0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.28 2hle s LEU 164 Cb -0.15 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 2hle s LEU 164 CO -0.07 -0.51 -0.19 -0.60 0.23 0.00 0.00 176.35 175.22 2hle s ARG 165 N -4.33 1.21 -0.21 1.70 6.06 -1.26 -1.59 118.95 120.53 2hle s ARG 165 Ca 0.45 -1.32 -0.14 0.00 -2.50 0.00 0.00 55.73 52.21 2hle s ARG 165 Cb -0.10 -1.30 0.06 0.00 0.06 0.00 0.00 34.95 33.67 2hle s ARG 165 CO 0.34 0.27 0.53 -1.17 -2.50 0.00 0.00 175.30 172.78 2hle s LEU 166 N -2.44 -0.33 0.00 -0.88 0.20 -1.11 -4.97 118.68 109.15 2hle s LEU 166 Ca 0.13 1.14 0.00 0.00 0.69 0.00 0.00 54.13 56.08 2hle s LEU 166 Cb -0.07 1.81 0.00 0.00 -0.43 0.00 0.00 46.19 47.51 2hle s LEU 166 CO 0.06 -0.21 0.00 0.61 -0.29 0.00 0.00 176.35 176.52 2hle n GLY 167 N 3.80 0.75 3.76 7.98 0.00 -1.26 -2.07 105.19 118.16 2hle n GLY 167 Ca -0.19 -2.04 -0.39 0.00 0.00 0.00 0.00 46.02 43.40 2hle n GLY 167 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2hle s PRO 168 N -1.35 3.56 -0.09 1.61 0.02 -1.26 -5.07 135.00 132.42 2hle s PRO 168 Ca 0.00 2.16 -0.05 0.00 0.02 0.00 0.00 61.00 63.13 2hle s PRO 168 Cb 0.00 -2.48 -0.04 0.00 0.02 0.00 0.00 34.50 32.00 2hle s PRO 168 CO 0.00 -0.83 0.13 -0.51 -0.33 0.00 0.00 177.00 175.46 2hle s LEU 169 N -3.01 4.28 -0.07 -5.54 1.43 0.13 -5.02 118.68 110.88 2hle s LEU 169 Ca 0.64 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 54.15 2hle s LEU 169 Cb -0.38 -2.18 -0.05 0.00 0.03 0.00 0.00 46.19 43.61 2hle s LEU 169 CO 0.47 0.37 -0.05 -1.20 0.23 0.00 0.00 176.35 176.17 2hle n SER 170 N 1.72 3.50 -4.75 2.29 7.64 -1.26 -4.55 113.62 118.22 2hle n SER 170 Ca -0.17 -0.03 -0.23 0.00 1.01 0.00 0.00 58.87 59.44 2hle n SER 170 Cb 0.54 0.03 0.09 0.00 -1.01 0.00 0.00 64.21 63.87 2hle n SER 170 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2hle s LYS 171 N -2.14 1.87 0.42 1.43 1.02 -1.26 -4.98 119.74 116.10 2hle s LYS 171 Ca -0.08 -1.01 0.10 0.00 0.02 0.00 0.00 55.97 54.99 2hle s LYS 171 Cb 0.02 -2.36 0.90 0.00 -0.52 0.00 0.00 37.83 35.87 2hle s LYS 171 CO 0.17 -1.29 2.00 0.00 -0.92 0.00 0.00 175.35 175.31 2hle h ALA 172 N -0.41 1.66 -2.55 5.17 0.00 -1.77 -3.43 119.26 117.92 2hle h ALA 172 Ca -0.38 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.43 2hle h ALA 172 Cb 1.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2hle h ALA 172 CO 0.43 0.26 0.23 0.41 0.00 0.00 0.00 179.25 180.58 2hle n GLY 173 N -1.17 1.22 3.63 0.00 0.00 -1.06 -1.52 105.19 106.28 2hle n GLY 173 Ca -0.00 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 2hle n GLY 173 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2hle s PHE 174 N -4.28 -0.02 0.13 1.61 -0.12 -0.78 -1.31 117.98 113.22 2hle s PHE 174 Ca 0.11 -0.36 0.08 0.00 -0.05 0.00 0.00 56.93 56.71 2hle s PHE 174 Cb -0.03 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 2hle s PHE 174 CO 0.07 -1.03 -0.18 0.71 -0.05 0.00 0.00 175.22 174.75 2hle s TYR 175 N -3.92 1.68 -0.08 3.49 2.02 0.96 -0.34 117.35 121.16 2hle s TYR 175 Ca 0.13 -0.48 0.03 0.00 -0.37 0.00 0.00 57.07 56.38 2hle s TYR 175 Cb -0.02 -0.87 -0.02 0.00 -0.40 0.00 0.00 41.96 40.65 2hle s TYR 175 CO 0.03 0.24 -0.16 -1.17 -1.57 0.00 0.00 175.55 172.92 2hle s LEU 176 N -2.39 2.56 0.18 -1.29 2.96 -1.26 -1.10 118.68 118.35 2hle s LEU 176 Ca 0.11 -0.33 0.08 0.00 -0.22 0.00 0.00 54.13 53.77 2hle s LEU 176 Cb -0.07 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 2hle s LEU 176 CO 0.05 0.25 -0.16 0.00 -1.32 0.00 0.00 176.35 175.17 2hle s ALA 177 N -0.16 1.96 -0.09 5.97 0.00 -0.26 -1.00 121.76 128.18 2hle s ALA 177 Ca -0.02 -1.55 0.03 0.00 0.00 0.00 0.00 51.96 50.43 2hle s ALA 177 Cb -0.14 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.86 2hle s ALA 177 CO 0.03 0.14 -0.18 -0.06 0.00 0.00 0.00 175.76 175.70 2hle s PHE 178 N -2.47 2.02 -0.21 0.00 0.08 0.10 -1.86 117.98 115.64 2hle s PHE 178 Ca 0.18 -0.82 -0.02 0.00 0.12 0.00 0.00 56.93 56.39 2hle s PHE 178 Cb -0.03 -1.40 0.00 0.00 -0.57 0.00 0.00 43.02 41.02 2hle s PHE 178 CO 0.06 -0.37 -0.10 -1.14 -0.10 0.00 0.00 175.22 173.58 2hle s GLN 179 N 0.57 3.21 -0.12 0.44 0.74 0.50 -1.02 119.66 123.98 2hle s GLN 179 Ca -0.15 -0.71 -0.07 0.00 0.05 0.00 0.00 55.36 54.48 2hle s GLN 179 Cb -0.17 -2.86 -0.04 0.00 1.10 0.00 0.00 33.01 31.04 2hle s GLN 179 CO 0.05 -0.21 0.12 0.34 -0.55 0.00 0.00 175.29 175.03 2hle s ASP 180 N 1.41 6.18 -0.01 6.67 2.15 -0.41 -2.28 116.67 130.37 2hle s ASP 180 Ca 0.05 0.39 0.02 0.00 0.43 0.00 0.00 52.55 53.44 2hle s ASP 180 Cb -0.14 -1.98 0.02 0.00 -0.30 0.00 0.00 42.92 40.52 2hle s ASP 180 CO -0.07 0.38 0.88 0.00 -0.17 0.00 0.00 175.17 176.19 2hle n GLN 181 N 2.19 1.96 0.00 4.34 6.02 -1.26 -1.40 117.38 129.22 2hle n GLN 181 Ca -0.19 -1.31 0.00 0.00 -0.01 0.00 0.00 57.00 55.49 2hle n GLN 181 Cb 0.54 -0.89 0.00 0.00 1.02 0.00 0.00 30.24 30.91 2hle n GLN 181 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2hle n GLY 182 N -0.43 -0.50 3.91 1.08 0.00 -1.26 -4.77 105.19 103.22 2hle n GLY 182 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 2hle n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hle s ALA 183 N 0.00 3.38 -0.46 4.61 0.00 -1.25 0.09 121.76 128.12 2hle s ALA 183 Ca 0.00 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.43 2hle s ALA 183 Cb 0.00 -2.59 0.12 0.00 0.00 0.00 0.00 23.12 20.65 2hle s ALA 183 CO 0.00 -0.48 0.20 0.00 0.00 0.00 0.00 175.76 175.47 2hle s MET 185 N 0.19 0.25 -0.17 0.00 0.00 -0.83 -0.16 119.30 118.58 2hle s MET 185 Ca 0.15 -0.35 -0.04 0.00 0.00 0.00 0.00 55.69 55.45 2hle s MET 185 Cb -0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 34.83 34.51 2hle s MET 185 CO -0.03 0.01 -0.04 0.00 0.00 0.00 0.00 175.02 174.96 2hle s ALA 186 N -0.72 2.95 -0.53 3.16 0.00 -0.31 -1.80 121.76 124.51 2hle s ALA 186 Ca -0.07 -0.91 -0.20 0.00 0.00 0.00 0.00 51.96 50.78 2hle s ALA 186 Cb -0.05 -1.60 0.06 0.00 0.00 0.00 0.00 23.12 21.53 2hle s ALA 186 CO -0.00 0.05 0.72 -1.17 0.00 0.00 0.00 175.76 175.36 2hle s LEU 187 N 0.66 4.76 0.13 0.00 2.96 0.61 -1.55 118.68 126.26 2hle s LEU 187 Ca -0.02 -0.82 0.03 0.00 -0.22 0.00 0.00 54.13 53.10 2hle s LEU 187 Cb -0.14 -2.52 -0.13 0.00 0.50 0.00 0.00 46.19 43.89 2hle s LEU 187 CO 0.02 -1.02 1.30 -0.07 -1.32 0.00 0.00 176.35 175.26 2hle h LEU 188 N 10.11 0.18 -7.00 -0.68 3.38 -1.25 -2.14 115.31 117.90 2hle h LEU 188 Ca -0.27 -0.17 0.17 0.00 0.09 0.00 0.00 57.88 57.69 2hle h LEU 188 Cb 1.09 -0.06 -0.19 0.00 0.09 0.00 0.00 40.66 41.59 2hle h LEU 188 CO 1.01 1.06 0.66 -0.94 0.09 0.00 0.00 178.44 180.32 2hle s SER 189 N -6.89 -0.26 -0.04 -0.43 1.04 -1.13 -4.65 113.70 101.35 2hle s SER 189 Ca -0.01 0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.52 2hle s SER 189 Cb 0.09 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.48 2hle s SER 189 CO 0.83 -0.37 -0.05 -0.22 0.98 0.00 0.00 173.24 174.41 2hle s LEU 190 N -1.96 1.50 -0.21 2.42 2.96 -1.26 -0.91 118.68 121.22 2hle s LEU 190 Ca 0.05 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.82 2hle s LEU 190 Cb -0.01 -0.45 0.06 0.00 0.50 0.00 0.00 46.19 46.29 2hle s LEU 190 CO -0.05 -0.02 -0.02 -2.28 -1.32 0.00 0.00 176.35 172.66 2hle s HIS 191 N 0.66 1.83 -0.15 5.38 5.65 -0.24 -2.77 115.29 125.65 2hle s HIS 191 Ca -0.09 -1.35 -0.08 0.00 0.25 0.00 0.00 55.06 53.79 2hle s HIS 191 Cb -0.12 -1.35 -0.04 0.00 -1.18 0.00 0.00 32.58 29.88 2hle s HIS 191 CO 0.00 -0.69 0.14 -0.51 -0.65 0.00 0.00 174.74 173.03 2hle s LEU 192 N 1.59 4.33 0.25 8.88 1.43 0.06 -0.77 118.68 134.44 2hle s LEU 192 Ca -0.03 0.39 -0.21 0.00 -1.03 0.00 0.00 54.13 53.25 2hle s LEU 192 Cb -0.18 -2.08 0.03 0.00 0.03 0.00 0.00 46.19 43.99 2hle s LEU 192 CO -0.07 0.33 0.67 0.72 0.23 0.00 0.00 176.35 178.23 2hle s PHE 193 N -0.54 -0.23 0.11 0.29 -0.12 -0.97 0.38 117.98 116.91 2hle s PHE 193 Ca 0.13 -0.17 0.04 0.00 -0.05 0.00 0.00 56.93 56.88 2hle s PHE 193 Cb -0.12 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 2hle s PHE 193 CO 0.02 -1.13 -0.10 1.52 -0.05 0.00 0.00 175.22 175.48 2hle s TYR 194 N -3.89 1.10 -0.25 3.49 1.13 0.16 -0.75 117.35 118.36 2hle s TYR 194 Ca 0.09 -0.73 -0.10 0.00 -1.41 0.00 0.00 57.07 54.92 2hle s TYR 194 Cb -0.04 -0.59 -0.05 0.00 -1.10 0.00 0.00 41.96 40.17 2hle s TYR 194 CO 0.02 0.00 0.16 0.15 -2.51 0.00 0.00 175.55 173.38 2hle s LYS 195 N -3.28 4.04 0.00 -3.49 1.02 -1.26 0.17 119.74 116.93 2hle s LYS 195 Ca 0.10 -0.29 0.08 0.00 0.02 0.00 0.00 55.97 55.89 2hle s LYS 195 Cb 0.00 -3.55 0.49 0.00 -0.52 0.00 0.00 37.83 34.25 2hle s LYS 195 CO -0.01 0.02 0.94 1.63 -0.92 0.00 0.00 175.35 177.01