#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jhw s PHE 12 N 0.00 2.82 0.17 0.54 0.40 -1.26 -4.86 117.98 115.78 1jhw s PHE 12 Ca 0.00 0.01 -0.12 0.00 -0.60 0.00 0.00 56.93 56.22 1jhw s PHE 12 Cb 0.00 -2.79 0.07 0.00 0.51 0.00 0.00 43.02 40.80 1jhw s PHE 12 CO 0.00 -0.94 1.71 -1.00 0.70 0.00 0.00 175.22 175.68 1jhw h PRO 13 N 0.00 0.90 0.00 0.24 0.13 -2.03 -3.47 132.00 127.77 1jhw h PRO 13 Ca -0.42 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1jhw h PRO 13 Cb 1.30 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1jhw h PRO 13 CO 0.52 0.80 0.00 0.41 -0.23 0.00 0.00 178.00 179.50 1jhw n GLY 14 N -0.74 0.91 0.19 1.56 0.00 -1.26 -4.90 105.19 100.95 1jhw n GLY 14 Ca 0.03 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.99 1jhw n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jhw n SER 15 N 0.19 1.12 0.11 1.61 3.41 -1.26 -4.65 113.62 114.16 1jhw n SER 15 Ca 0.00 -1.06 0.06 0.00 -0.26 0.00 0.00 58.87 57.61 1jhw n SER 15 Cb 0.00 0.41 0.34 0.00 -0.26 0.00 0.00 64.21 64.70 1jhw n SER 15 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1jhw n VAL 16 N -0.21 1.07 0.04 -3.33 0.31 -1.26 -1.70 118.33 113.24 1jhw n VAL 16 Ca 0.03 0.67 -0.22 0.00 -0.01 0.00 0.00 64.34 64.82 1jhw n VAL 16 Cb 0.16 -1.67 -0.14 0.00 -0.91 0.00 0.00 33.84 31.28 1jhw n VAL 16 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1jhw h GLN 17 N 0.00 0.30 -5.92 5.55 7.50 -1.98 -3.47 115.11 117.09 1jhw h GLN 17 Ca 0.00 -0.51 -0.80 0.00 0.50 0.00 0.00 58.65 57.84 1jhw h GLN 17 Cb 0.25 0.19 0.04 0.00 0.05 0.00 0.00 27.48 28.01 1jhw h GLN 17 CO 0.00 1.25 0.19 -0.40 -1.50 0.00 0.00 178.83 178.37 1jhw n ASP 18 N -3.90 0.25 -4.70 1.46 5.68 -0.69 -4.84 116.55 109.80 1jhw n ASP 18 Ca -0.22 1.15 -0.34 0.00 -0.50 0.00 0.00 54.79 54.88 1jhw n ASP 18 Cb 0.93 -0.90 0.12 0.00 -1.14 0.00 0.00 41.12 40.12 1jhw n ASP 18 CO 0.00 0.00 0.00 -2.84 -1.33 0.00 0.00 177.20 173.03 1jhw s PRO 19 N 0.63 1.80 0.00 0.11 0.02 -1.26 -4.77 135.00 131.53 1jhw s PRO 19 Ca 0.93 1.80 0.00 0.00 0.02 0.00 0.00 61.00 63.74 1jhw s PRO 19 Cb -1.30 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1jhw s PRO 19 CO 0.62 -2.10 0.00 0.41 -0.33 0.00 0.00 177.00 175.60 1jhw n GLY 20 N 0.52 0.48 3.18 0.52 0.00 -0.93 -4.97 105.19 103.99 1jhw n GLY 20 Ca 0.14 -1.71 -0.24 0.00 0.00 0.00 0.00 46.02 44.21 1jhw n GLY 20 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jhw s LEU 21 N 0.00 2.09 -0.03 0.99 2.96 -1.26 -2.17 118.68 121.26 1jhw s LEU 21 Ca 0.00 -0.38 -0.00 0.00 -0.22 0.00 0.00 54.13 53.53 1jhw s LEU 21 Cb 0.00 -0.86 0.03 0.00 0.50 0.00 0.00 46.19 45.86 1jhw s LEU 21 CO 0.00 0.17 0.02 -1.00 -1.32 0.00 0.00 176.35 174.22 1jhw s HIS 22 N -0.56 0.18 -0.04 5.38 3.76 0.99 -4.96 115.29 120.04 1jhw s HIS 22 Ca 0.06 0.08 0.02 0.00 -0.15 0.00 0.00 55.06 55.07 1jhw s HIS 22 Cb -0.07 -0.36 0.01 0.00 1.11 0.00 0.00 32.58 33.27 1jhw s HIS 22 CO 0.00 -0.12 -0.09 0.14 -0.85 0.00 0.00 174.74 173.81 1jhw s VAL 23 N 1.19 0.85 -0.03 -0.90 -7.23 -1.25 0.30 120.40 113.33 1jhw s VAL 23 Ca -0.08 -0.36 0.03 0.00 -1.81 0.00 0.00 61.98 59.76 1jhw s VAL 23 Cb -0.13 -0.78 0.00 0.00 0.56 0.00 0.00 36.38 36.03 1jhw s VAL 23 CO -0.02 0.28 -0.11 0.26 -0.31 0.00 0.00 175.10 175.19 1jhw s TRP 24 N 0.42 1.19 -0.29 2.82 0.51 0.45 -1.74 118.94 122.30 1jhw s TRP 24 Ca -0.07 -0.33 -0.18 0.00 -2.12 0.00 0.00 56.10 53.40 1jhw s TRP 24 Cb -0.11 -0.84 -0.02 0.00 -0.81 0.00 0.00 33.47 31.69 1jhw s TRP 24 CO 0.01 -0.13 0.53 0.50 -0.51 0.00 0.00 176.95 177.35 1jhw s ARG 25 N 0.20 3.93 -0.50 4.98 3.52 0.29 0.56 118.95 131.94 1jhw s ARG 25 Ca -0.04 0.19 -0.27 0.00 -0.13 0.00 0.00 55.73 55.48 1jhw s ARG 25 Cb -0.10 -3.70 -0.03 0.00 -1.56 0.00 0.00 34.95 29.55 1jhw s ARG 25 CO 0.01 -0.46 1.99 0.08 -0.81 0.00 0.00 175.30 176.11 1jhw s VAL 26 N 2.38 3.29 0.00 7.11 1.01 0.94 -2.17 120.40 132.96 1jhw s VAL 26 Ca 0.21 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1jhw s VAL 26 Cb -0.15 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1jhw s VAL 26 CO 0.11 -0.54 0.00 -1.84 0.00 0.00 0.00 175.10 172.82 1jhw n GLU 27 N 8.94 0.00 0.00 2.72 0.00 -0.28 -4.42 120.64 127.61 1jhw n GLU 27 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.41 1jhw n GLU 27 Cb 0.51 -0.39 0.00 0.00 0.00 0.00 0.00 31.44 31.56 1jhw n GLU 27 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1jhw n LYS 28 N 0.00 0.00 -0.00 3.44 0.00 -1.26 -4.89 118.16 115.45 1jhw n LYS 28 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.37 1jhw n LYS 28 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 35.03 34.95 1jhw n LYS 28 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1jhw n LEU 29 N -0.95 0.13 -4.81 -5.58 -0.00 -1.26 -4.91 117.00 99.62 1jhw n LEU 29 Ca 0.00 -0.12 -0.35 0.00 -0.00 0.00 0.00 56.01 55.54 1jhw n LEU 29 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 1jhw n LEU 29 CO 0.00 0.03 -0.22 -0.75 -0.00 0.00 0.00 177.39 176.45 1jhw s LYS 30 N -2.62 3.25 -0.12 1.47 2.20 -1.26 -5.06 119.74 117.61 1jhw s LYS 30 Ca -0.02 -0.28 -0.23 0.00 -0.36 0.00 0.00 55.97 55.07 1jhw s LYS 30 Cb 0.08 -3.02 -0.03 0.00 -1.51 0.00 0.00 37.83 33.35 1jhw s LYS 30 CO 0.47 0.73 0.70 -1.25 -0.36 0.00 0.00 175.35 175.64 1jhw s PRO 31 N -1.20 4.36 -0.20 4.03 0.04 -1.26 -1.12 135.00 139.65 1jhw s PRO 31 Ca 0.17 0.83 -0.04 0.00 0.04 0.00 0.00 61.00 62.00 1jhw s PRO 31 Cb -0.12 -3.50 -0.02 0.00 0.04 0.00 0.00 34.50 30.90 1jhw s PRO 31 CO 0.07 -0.08 -0.02 0.08 0.04 0.00 0.00 177.00 177.09 1jhw s VAL 32 N 1.30 3.74 0.06 -0.36 1.01 -0.92 -4.93 120.40 120.29 1jhw s VAL 32 Ca 0.35 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 1jhw s VAL 32 Cb -0.17 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1jhw s VAL 32 CO 0.15 0.44 0.99 -2.16 0.00 0.00 0.00 175.10 174.52 1jhw s PRO 33 N 1.01 4.61 -0.11 2.72 0.04 -1.26 0.11 135.00 142.12 1jhw s PRO 33 Ca 0.01 1.47 -0.28 0.00 0.04 0.00 0.00 61.00 62.24 1jhw s PRO 33 Cb -0.14 -3.41 -0.02 0.00 0.04 0.00 0.00 34.50 30.97 1jhw s PRO 33 CO 0.01 0.05 0.94 0.08 0.04 0.00 0.00 177.00 178.13 1jhw s VAL 34 N 0.54 4.83 -0.04 -0.36 1.01 -0.71 -4.91 120.40 120.76 1jhw s VAL 34 Ca 0.50 1.91 -0.40 0.00 0.00 0.00 0.00 61.98 64.00 1jhw s VAL 34 Cb -0.23 -4.26 -0.19 0.00 0.00 0.00 0.00 36.38 31.71 1jhw s VAL 34 CO 0.29 0.04 1.22 0.00 0.00 0.00 0.00 175.10 176.65 1jhw n ALA 35 N 4.90 -2.61 -0.56 5.51 0.00 -1.26 -4.59 120.51 121.90 1jhw n ALA 35 Ca 0.07 0.56 0.46 0.00 0.00 0.00 0.00 53.44 54.53 1jhw n ALA 35 Cb 0.49 -1.88 0.73 0.00 0.00 0.00 0.00 19.45 18.79 1jhw n ALA 35 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1jhw h GLN 36 N 3.77 0.00 0.20 0.00 5.75 -1.98 0.20 115.11 123.04 1jhw h GLN 36 Ca -0.49 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.00 1jhw h GLN 36 Cb 1.40 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.95 1jhw h GLN 36 CO 0.73 0.00 -0.09 0.93 -2.65 0.00 0.00 178.83 177.74 1jhw h GLU 37 N 0.00 -0.25 0.00 1.69 5.08 -2.04 -3.23 114.58 115.83 1jhw h GLU 37 Ca 0.81 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 59.18 1jhw h GLU 37 Cb 3.48 0.06 0.00 0.00 0.50 0.00 0.00 28.75 32.79 1jhw h GLU 37 CO -0.01 0.14 0.18 -0.91 -1.00 0.00 0.00 179.01 177.41 1jhw h ASN 38 N -0.88 0.00 -3.60 1.42 2.35 -0.92 -3.43 115.58 110.51 1jhw h ASN 38 Ca -0.03 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.16 1jhw h ASN 38 Cb 0.51 0.00 0.18 0.00 0.05 0.00 0.00 38.32 39.06 1jhw h ASN 38 CO 0.04 0.00 -0.03 0.00 -1.65 0.00 0.00 177.43 175.79 1jhw n GLN 39 N -2.69 0.50 -0.03 0.81 6.02 -1.04 -2.12 117.38 118.82 1jhw n GLN 39 Ca -0.02 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 1jhw n GLN 39 Cb 0.23 -2.11 0.00 0.00 1.02 0.00 0.00 30.24 29.38 1jhw n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jhw n GLY 40 N 1.27 0.89 3.03 1.08 0.00 -1.26 -5.01 105.19 105.19 1jhw n GLY 40 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1jhw n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jhw s VAL 41 N -2.34 1.20 -0.17 1.61 0.11 -0.90 -1.41 120.40 118.49 1jhw s VAL 41 Ca 0.00 -0.50 0.01 0.00 -2.93 0.00 0.00 61.98 58.55 1jhw s VAL 41 Cb 0.00 -1.10 0.03 0.00 -1.53 0.00 0.00 36.38 33.78 1jhw s VAL 41 CO 0.00 0.37 -0.14 -0.36 -3.33 0.00 0.00 175.10 171.64 1jhw s PHE 42 N 0.73 2.37 0.26 1.54 0.08 -1.04 -4.99 117.98 116.93 1jhw s PHE 42 Ca -0.13 -1.42 -0.30 0.00 0.12 0.00 0.00 56.93 55.20 1jhw s PHE 42 Cb -0.16 -1.68 -0.11 0.00 -0.57 0.00 0.00 43.02 40.51 1jhw s PHE 42 CO 0.03 -0.72 1.52 0.12 -0.10 0.00 0.00 175.22 176.07 1jhw s PHE 43 N 1.42 2.91 -2.07 0.36 5.99 -1.26 -1.96 117.98 123.36 1jhw s PHE 43 Ca 0.03 0.87 0.14 0.00 0.00 0.00 0.00 56.93 57.97 1jhw s PHE 43 Cb -0.14 -3.94 0.65 0.00 0.00 0.00 0.00 43.02 39.59 1jhw s PHE 43 CO -0.10 -3.17 1.44 -1.13 -0.00 0.00 0.00 175.22 172.27 1jhw n SER 44 N 2.49 0.75 -0.34 6.13 3.41 -0.76 -3.46 113.62 121.84 1jhw n SER 44 Ca 0.08 -1.71 0.11 0.00 -0.26 0.00 0.00 58.87 57.09 1jhw n SER 44 Cb 0.39 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.24 1jhw n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jhw n GLY 45 N 0.86 -0.30 3.71 5.00 0.00 -1.26 -0.55 105.19 112.65 1jhw n GLY 45 Ca 0.11 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 1jhw n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jhw s ASP 46 N -2.65 4.22 0.11 1.61 1.01 -1.23 -3.98 116.67 115.76 1jhw s ASP 46 Ca 0.15 -1.24 0.10 0.00 0.71 0.00 0.00 52.55 52.27 1jhw s ASP 46 Cb 0.17 -0.31 -0.04 0.00 1.01 0.00 0.00 42.92 43.75 1jhw s ASP 46 CO 0.67 -0.57 -0.25 -0.44 0.21 0.00 0.00 175.17 174.79 1jhw s SER 47 N -3.85 3.41 0.35 0.27 0.01 -1.26 -2.15 113.70 110.48 1jhw s SER 47 Ca 0.35 -0.67 0.04 0.00 1.31 0.00 0.00 55.95 56.98 1jhw s SER 47 Cb 0.06 -0.31 -0.06 0.00 0.21 0.00 0.00 66.02 65.92 1jhw s SER 47 CO 0.19 0.20 0.06 -0.31 0.41 0.00 0.00 173.24 173.79 1jhw s TYR 48 N -1.01 1.97 -0.05 2.43 1.51 0.54 -0.04 117.35 122.69 1jhw s TYR 48 Ca 0.14 -0.99 0.01 0.00 -1.01 0.00 0.00 57.07 55.23 1jhw s TYR 48 Cb -0.10 -1.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.46 1jhw s TYR 48 CO 0.06 -0.00 -0.06 -0.51 -1.11 0.00 0.00 175.55 173.92 1jhw s LEU 49 N -3.53 1.38 -0.05 -1.29 1.43 0.19 0.07 118.68 116.87 1jhw s LEU 49 Ca 0.33 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 1jhw s LEU 49 Cb 0.08 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.74 1jhw s LEU 49 CO 0.15 -0.04 -0.11 0.54 0.23 0.00 0.00 176.35 177.12 1jhw s VAL 50 N 0.93 1.00 -0.09 -1.59 0.11 -0.22 0.17 120.40 120.72 1jhw s VAL 50 Ca -0.11 -0.42 0.01 0.00 -2.93 0.00 0.00 61.98 58.53 1jhw s VAL 50 Cb -0.15 -0.92 0.02 0.00 -1.53 0.00 0.00 36.38 33.80 1jhw s VAL 50 CO 0.00 0.32 -0.08 -0.22 -3.33 0.00 0.00 175.10 171.80 1jhw s LEU 51 N 0.61 1.31 -0.11 2.54 2.96 0.88 -0.96 118.68 125.91 1jhw s LEU 51 Ca -0.12 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 1jhw s LEU 51 Cb -0.14 -0.75 0.01 0.00 0.50 0.00 0.00 46.19 45.80 1jhw s LEU 51 CO 0.03 -0.07 -0.20 -1.38 -1.32 0.00 0.00 176.35 173.41 1jhw s HIS 52 N 1.29 2.32 -0.03 5.38 -0.00 -1.01 -0.01 115.29 123.24 1jhw s HIS 52 Ca -0.03 -1.03 -0.00 0.00 -0.00 0.00 0.00 55.06 54.00 1jhw s HIS 52 Cb -0.14 -1.59 0.03 0.00 -0.00 0.00 0.00 32.58 30.88 1jhw s HIS 52 CO -0.03 -0.46 0.02 0.54 -0.00 0.00 0.00 174.74 174.81 1jhw s ASN 53 N 0.62 0.43 0.63 7.38 2.20 -0.92 -2.52 114.94 122.76 1jhw s ASN 53 Ca -0.13 0.01 -0.13 0.00 -0.94 0.00 0.00 52.86 51.67 1jhw s ASN 53 Cb -0.16 -0.17 -0.02 0.00 -2.00 0.00 0.00 41.25 38.89 1jhw s ASN 53 CO 0.04 -0.13 1.04 -0.83 -2.94 0.00 0.00 177.10 174.28 1jhw s GLY 54 N 1.21 1.84 0.00 0.45 0.00 -1.13 -2.19 107.32 107.50 1jhw s GLY 54 Ca -0.07 0.15 0.05 0.00 0.00 0.00 0.00 44.72 44.85 1jhw s GLY 54 CO -0.02 0.45 0.91 -1.05 0.00 0.00 0.00 173.10 173.38 1jhw n PRO 55 N -2.56 0.12 0.00 2.90 -0.02 -1.26 -3.42 135.00 130.76 1jhw n PRO 55 Ca 0.07 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1jhw n PRO 55 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 1jhw n PRO 55 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1jhw n GLU 56 N -1.15 0.81 -0.73 -0.52 4.71 -1.26 -5.12 120.64 117.38 1jhw n GLU 56 Ca 0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.90 1jhw n GLU 56 Cb 0.03 -0.11 0.22 0.00 -1.01 0.00 0.00 31.44 30.57 1jhw n GLU 56 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 1jhw s GLU 57 N -0.41 -0.33 0.00 3.49 -1.05 -1.22 -5.06 118.70 114.12 1jhw s GLU 57 Ca 0.00 0.85 0.00 0.00 -0.15 0.00 0.00 54.97 55.67 1jhw s GLU 57 Cb 0.00 -1.62 0.00 0.00 -0.44 0.00 0.00 34.13 32.07 1jhw s GLU 57 CO 0.00 -3.33 0.00 0.28 0.95 0.00 0.00 175.26 173.16 1jhw n VAL 58 N -4.64 0.00 -3.71 1.83 0.31 -1.26 -4.08 118.33 106.77 1jhw n VAL 58 Ca 0.05 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.24 1jhw n VAL 58 Cb 0.55 -0.52 -0.13 0.00 -0.91 0.00 0.00 33.84 32.82 1jhw n VAL 58 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1jhw s SER 59 N -1.74 -0.04 -0.09 4.52 0.01 -1.26 -2.84 113.70 112.26 1jhw s SER 59 Ca 0.00 0.49 0.02 0.00 1.31 0.00 0.00 55.95 57.78 1jhw s SER 59 Cb 0.00 0.43 -0.02 0.00 0.21 0.00 0.00 66.02 66.64 1jhw s SER 59 CO 0.00 -0.18 -0.16 -1.00 0.41 0.00 0.00 173.24 172.30 1jhw s HIS 60 N 1.56 2.69 -0.27 2.43 3.76 -1.05 0.08 115.29 124.49 1jhw s HIS 60 Ca -0.06 -0.55 0.03 0.00 -0.15 0.00 0.00 55.06 54.32 1jhw s HIS 60 Cb -0.11 -1.73 0.07 0.00 1.11 0.00 0.00 32.58 31.92 1jhw s HIS 60 CO -0.08 -0.12 -0.06 -1.17 -0.85 0.00 0.00 174.74 172.47 1jhw s LEU 61 N -0.05 3.52 0.16 0.89 2.96 0.32 -2.39 118.68 124.10 1jhw s LEU 61 Ca -0.04 -1.53 0.04 0.00 -0.22 0.00 0.00 54.13 52.38 1jhw s LEU 61 Cb -0.14 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 1jhw s LEU 61 CO 0.04 -0.25 0.21 -1.00 -1.32 0.00 0.00 176.35 174.03 1jhw s HIS 62 N 1.13 3.30 -0.20 5.38 3.76 -0.14 -3.16 115.29 125.37 1jhw s HIS 62 Ca -0.03 0.04 -0.01 0.00 -0.15 0.00 0.00 55.06 54.90 1jhw s HIS 62 Cb -0.19 -1.57 0.01 0.00 1.11 0.00 0.00 32.58 31.93 1jhw s HIS 62 CO -0.07 0.52 -0.13 -1.17 -0.85 0.00 0.00 174.74 173.04 1jhw s LEU 63 N -3.21 2.51 -0.25 0.89 2.96 -0.58 -1.05 118.68 119.95 1jhw s LEU 63 Ca 0.33 -0.58 -0.15 0.00 -0.22 0.00 0.00 54.13 53.51 1jhw s LEU 63 Cb -0.10 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 1jhw s LEU 63 CO 0.26 -0.02 0.35 0.86 -1.32 0.00 0.00 176.35 176.48 1jhw s TRP 64 N 1.36 3.29 -0.25 5.38 -0.00 0.11 -1.40 118.94 127.44 1jhw s TRP 64 Ca 0.05 0.45 -0.03 0.00 -0.00 0.00 0.00 56.10 56.57 1jhw s TRP 64 Cb -0.14 -2.52 0.02 0.00 -0.00 0.00 0.00 33.47 30.83 1jhw s TRP 64 CO -0.09 -0.13 -0.04 0.96 -0.00 0.00 0.00 176.95 177.65 1jhw s ILE 65 N 1.72 3.08 0.79 5.86 -4.36 0.14 0.20 121.20 128.63 1jhw s ILE 65 Ca 0.15 -0.91 -0.14 0.00 -0.26 0.00 0.00 60.65 59.50 1jhw s ILE 65 Cb -0.15 -2.54 0.07 0.00 1.25 0.00 0.00 42.46 41.08 1jhw s ILE 65 CO 0.09 0.22 1.15 0.61 0.24 0.00 0.00 174.94 177.24 1jhw n GLY 66 N 4.71 -0.11 0.24 6.27 0.00 -0.91 -2.01 105.19 113.38 1jhw n GLY 66 Ca -0.16 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.37 1jhw n GLY 66 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1jhw h GLN 67 N -0.76 0.46 -0.61 1.61 4.15 -1.85 -1.85 115.11 116.25 1jhw h GLN 67 Ca -0.47 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 58.79 1jhw h GLN 67 Cb 1.31 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1jhw h GLN 67 CO 0.46 0.67 0.00 1.04 -1.93 0.00 0.00 178.83 179.07 1jhw n GLN 68 N -4.13 4.14 -2.97 1.69 6.02 0.29 -4.91 117.38 117.51 1jhw n GLN 68 Ca -0.00 -2.99 -0.40 0.00 -0.01 0.00 0.00 57.00 53.59 1jhw n GLN 68 Cb 0.40 -2.02 -0.05 0.00 1.02 0.00 0.00 30.24 29.59 1jhw n GLN 68 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1jhw s SER 69 N -0.90 7.16 0.23 1.08 0.15 -0.70 -4.34 113.70 116.38 1jhw s SER 69 Ca 0.52 1.39 -0.30 0.00 0.70 0.00 0.00 55.95 58.26 1jhw s SER 69 Cb 0.36 -2.46 -0.15 0.00 -1.71 0.00 0.00 66.02 62.06 1jhw s SER 69 CO 0.21 -0.06 1.05 -0.24 1.20 0.00 0.00 173.24 175.40 1jhw n SER 70 N 3.26 1.17 0.20 5.45 2.88 -1.26 -4.82 113.62 120.50 1jhw n SER 70 Ca -0.01 1.16 0.18 0.00 -1.33 0.00 0.00 58.87 58.87 1jhw n SER 70 Cb 0.51 -1.24 0.81 0.00 -0.75 0.00 0.00 64.21 63.55 1jhw n SER 70 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1jhw h ARG 71 N 2.57 0.00 0.00 -1.46 3.08 -1.97 -1.15 114.38 115.45 1jhw h ARG 71 Ca -0.40 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.43 1jhw h ARG 71 Cb 1.35 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.37 1jhw h ARG 71 CO 0.65 0.00 -1.59 -0.25 -1.07 0.00 0.00 179.97 177.70 1jhw n ASP 72 N -3.49 1.92 -0.36 7.04 10.43 -1.26 -4.15 116.55 126.69 1jhw n ASP 72 Ca 0.03 0.38 0.35 0.00 2.57 0.00 0.00 54.79 58.12 1jhw n ASP 72 Cb 0.44 -0.82 0.54 0.00 1.84 0.00 0.00 41.12 43.13 1jhw n ASP 72 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1jhw n GLU 73 N -4.39 0.01 0.25 -1.24 1.02 -0.74 0.25 120.64 115.79 1jhw n GLU 73 Ca -0.32 1.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.73 1jhw n GLU 73 Cb 0.66 -2.45 -0.05 0.00 -0.02 0.00 0.00 31.44 29.58 1jhw n GLU 73 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1jhw h GLN 74 N 0.00 -0.64 -0.38 3.49 4.20 -1.43 -1.80 115.11 118.55 1jhw h GLN 74 Ca 0.62 0.04 0.08 0.00 0.06 0.00 0.00 58.65 59.45 1jhw h GLN 74 Cb 3.12 0.15 -0.09 0.00 0.30 0.00 0.00 27.48 30.96 1jhw h GLN 74 CO -0.01 -0.43 -0.26 0.78 -0.67 0.00 0.00 178.83 178.24 1jhw h GLY 75 N -0.94 -0.09 -0.61 3.46 0.00 0.32 0.24 103.07 105.45 1jhw h GLY 75 Ca -0.07 0.33 0.06 0.00 0.00 0.00 0.00 47.33 47.66 1jhw h GLY 75 CO 0.11 -0.21 -0.49 0.00 0.00 0.00 0.00 176.54 175.95 1jhw h ALA 76 N 0.93 -0.59 -0.57 3.60 0.00 -1.30 0.32 119.26 121.64 1jhw h ALA 76 Ca 0.18 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.23 1jhw h ALA 76 Cb 0.49 1.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.41 1jhw h ALA 76 CO -0.50 -0.89 0.20 0.00 0.00 0.00 0.00 179.25 178.06 1jhw h ALA 78 N 1.39 0.55 -0.03 0.00 0.00 0.79 0.29 119.26 122.25 1jhw h ALA 78 Ca 0.28 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.23 1jhw h ALA 78 Cb 0.34 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1jhw h ALA 78 CO -0.29 -0.11 -0.30 0.28 0.00 0.00 0.00 179.25 178.83 1jhw h VAL 79 N 0.47 0.33 -0.50 0.00 2.07 0.05 0.17 116.25 118.84 1jhw h VAL 79 Ca 0.18 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.82 1jhw h VAL 79 Cb 0.05 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1jhw h VAL 79 CO -0.11 0.00 0.35 0.25 0.02 0.00 0.00 177.57 178.08 1jhw h LEU 80 N -0.43 0.11 0.57 2.57 5.85 -0.36 0.63 115.31 124.24 1jhw h LEU 80 Ca 0.07 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1jhw h LEU 80 Cb 0.53 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1jhw h LEU 80 CO -0.27 0.06 -0.31 0.00 -0.34 0.00 0.00 178.44 177.58 1jhw h ALA 81 N 1.75 -0.82 -0.11 1.25 0.00 0.23 -1.66 119.26 119.91 1jhw h ALA 81 Ca 0.24 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1jhw h ALA 81 Cb 0.79 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1jhw h ALA 81 CO -0.03 -0.97 -0.16 0.28 0.00 0.00 0.00 179.25 178.38 1jhw h VAL 82 N -0.81 0.00 -1.46 0.00 2.07 0.18 0.60 116.25 116.84 1jhw h VAL 82 Ca -0.07 0.00 0.48 0.00 0.82 0.00 0.00 66.70 67.93 1jhw h VAL 82 Cb 0.64 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.29 1jhw h VAL 82 CO 0.10 0.00 0.96 1.56 0.02 0.00 0.00 177.57 180.21 1jhw h GLN 83 N -0.12 0.03 0.18 1.57 4.20 -1.18 0.62 115.11 120.41 1jhw h GLN 83 Ca 0.02 -0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.42 1jhw h GLN 83 Cb 0.17 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.96 1jhw h GLN 83 CO -0.16 0.02 -1.45 1.25 -0.67 0.00 0.00 178.83 177.82 1jhw h LEU 84 N 0.03 0.58 -1.09 1.46 5.85 0.73 -2.89 115.31 119.98 1jhw h LEU 84 Ca 0.87 -0.68 0.24 0.00 0.84 0.00 0.00 57.88 59.15 1jhw h LEU 84 Cb 2.90 -0.19 -0.11 0.00 0.37 0.00 0.00 40.66 43.63 1jhw h LEU 84 CO -0.38 1.54 0.61 -0.78 -0.34 0.00 0.00 178.44 179.10 1jhw h ASP 85 N 0.10 0.64 -0.18 1.25 -0.00 0.52 -2.09 116.42 116.67 1jhw h ASP 85 Ca -0.22 0.12 -0.16 0.00 -0.00 0.00 0.00 57.03 56.76 1jhw h ASP 85 Cb 2.06 0.01 0.00 0.00 -0.00 0.00 0.00 39.33 41.41 1jhw h ASP 85 CO 0.22 0.13 -0.52 0.44 -0.00 0.00 0.00 179.24 179.50 1jhw h ASP 86 N 0.57 0.77 0.00 2.28 5.19 -1.21 1.83 116.42 125.85 1jhw h ASP 86 Ca 0.62 -0.59 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1jhw h ASP 86 Cb 1.23 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.52 1jhw h ASP 86 CO -0.42 1.22 0.00 0.00 -3.12 0.00 0.00 179.24 176.92 1jhw n TYR 87 N -4.15 0.00 0.00 4.55 9.36 -0.79 0.19 117.16 126.31 1jhw n TYR 87 Ca -0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.15 1jhw n TYR 87 Cb 0.61 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.32 1jhw n TYR 87 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1jhw n LEU 88 N -0.98 0.00 -2.10 2.98 4.77 -1.12 -5.06 117.00 115.48 1jhw n LEU 88 Ca 0.05 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1jhw n LEU 88 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1jhw n LEU 88 CO 0.04 0.00 -0.36 0.61 -1.33 0.00 0.00 177.39 176.35 1jhw n GLY 89 N 0.40 -4.05 1.38 -0.72 0.00 0.62 -3.79 105.19 99.03 1jhw n GLY 89 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1jhw n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jhw n GLY 90 N 1.88 0.00 0.44 -0.02 0.00 -0.80 -4.38 105.19 102.31 1jhw n GLY 90 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1jhw n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1jhw h ARG 91 N 0.00 -0.35 -7.08 1.61 2.43 -1.73 -3.43 114.38 105.81 1jhw h ARG 91 Ca 0.00 0.02 -0.55 0.00 -0.81 0.00 0.00 59.98 58.64 1jhw h ARG 91 Cb 0.00 0.08 0.15 0.00 -0.42 0.00 0.00 29.97 29.78 1jhw h ARG 91 CO 0.00 -0.24 0.55 -2.14 -1.51 0.00 0.00 179.97 176.64 1jhw s PRO 92 N -5.71 2.80 0.08 0.20 0.02 -1.26 -4.73 135.00 126.39 1jhw s PRO 92 Ca -0.14 2.13 -0.18 0.00 0.02 0.00 0.00 61.00 62.83 1jhw s PRO 92 Cb 0.10 -2.01 -0.07 0.00 0.02 0.00 0.00 34.50 32.54 1jhw s PRO 92 CO 0.63 -1.43 0.54 0.08 -0.33 0.00 0.00 177.00 176.49 1jhw s VAL 93 N -1.36 4.81 -0.13 3.83 1.01 0.11 -4.81 120.40 123.86 1jhw s VAL 93 Ca 0.78 1.08 -0.02 0.00 0.00 0.00 0.00 61.98 63.82 1jhw s VAL 93 Cb -0.39 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1jhw s VAL 93 CO 0.43 0.50 -0.06 -1.10 0.00 0.00 0.00 175.10 174.87 1jhw s GLN 94 N -1.27 3.43 -0.00 2.72 -0.21 -1.26 0.12 119.66 123.20 1jhw s GLN 94 Ca 0.30 -0.56 0.02 0.00 0.02 0.00 0.00 55.36 55.14 1jhw s GLN 94 Cb -0.18 -2.80 -0.01 0.00 1.00 0.00 0.00 33.01 31.03 1jhw s GLN 94 CO 0.18 0.33 -0.07 -1.01 -2.12 0.00 0.00 175.29 172.59 1jhw s HIS 95 N 0.11 0.64 -0.36 0.91 3.76 -1.19 -5.00 115.29 114.16 1jhw s HIS 95 Ca -0.02 -0.14 -0.12 0.00 -0.15 0.00 0.00 55.06 54.63 1jhw s HIS 95 Cb -0.14 -0.41 0.01 0.00 1.11 0.00 0.00 32.58 33.15 1jhw s HIS 95 CO 0.03 -0.01 0.22 0.50 -0.85 0.00 0.00 174.74 174.63 1jhw s ARG 96 N -0.25 3.12 -0.24 1.40 3.52 -1.26 -1.53 118.95 123.70 1jhw s ARG 96 Ca 0.02 -0.89 -0.07 0.00 -0.13 0.00 0.00 55.73 54.67 1jhw s ARG 96 Cb -0.03 -3.76 -0.02 0.00 -1.56 0.00 0.00 34.95 29.58 1jhw s ARG 96 CO -0.00 -0.59 0.05 -1.21 -0.81 0.00 0.00 175.30 172.74 1jhw s GLU 97 N 1.63 3.61 -0.10 5.12 0.41 -0.49 -4.95 118.70 123.92 1jhw s GLU 97 Ca 0.04 -0.50 -0.04 0.00 -0.41 0.00 0.00 54.97 54.05 1jhw s GLU 97 Cb -0.18 -3.26 -0.04 0.00 -1.78 0.00 0.00 34.13 28.87 1jhw s GLU 97 CO 0.08 -0.18 0.07 0.14 -0.49 0.00 0.00 175.26 174.88 1jhw s VAL 98 N 1.56 4.91 0.27 2.63 -7.23 -1.26 0.27 120.40 121.54 1jhw s VAL 98 Ca 0.06 -0.02 -0.30 0.00 -1.81 0.00 0.00 61.98 59.91 1jhw s VAL 98 Cb -0.15 -3.11 -0.10 0.00 0.56 0.00 0.00 36.38 33.58 1jhw s VAL 98 CO 0.02 0.61 1.39 -1.58 -0.31 0.00 0.00 175.10 175.23 1jhw s GLN 99 N -0.97 4.30 0.00 4.82 0.74 -0.85 -2.43 119.66 125.27 1jhw s GLN 99 Ca 0.14 2.25 0.00 0.00 0.05 0.00 0.00 55.36 57.80 1jhw s GLN 99 Cb -0.12 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 30.88 1jhw s GLN 99 CO 0.03 -0.34 0.00 0.41 -0.55 0.00 0.00 175.29 174.84 1jhw n GLY 100 N 1.83 0.36 2.70 2.59 0.00 -1.26 -4.79 105.19 106.62 1jhw n GLY 100 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 1jhw n GLY 100 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jhw n ASN 101 N 0.00 -1.91 -3.30 1.61 4.05 -1.02 -5.16 115.26 109.54 1jhw n ASN 101 Ca 0.00 -2.55 -0.24 0.00 0.45 0.00 0.00 54.58 52.24 1jhw n ASN 101 Cb 0.00 1.07 0.20 0.00 1.23 0.00 0.00 39.78 42.28 1jhw n ASN 101 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1jhw n GLU 102 N -0.52 -2.97 -3.52 1.20 -0.58 -1.13 -4.38 120.64 108.74 1jhw n GLU 102 Ca -0.02 -1.33 -0.37 0.00 -0.42 0.00 0.00 57.16 55.02 1jhw n GLU 102 Cb 0.84 -1.32 -0.06 0.00 -0.57 0.00 0.00 31.44 30.33 1jhw n GLU 102 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1jhw s SER 103 N -3.65 6.59 0.02 1.62 1.04 -1.26 -4.91 113.70 113.15 1jhw s SER 103 Ca 0.55 0.70 0.01 0.00 0.48 0.00 0.00 55.95 57.69 1jhw s SER 103 Cb -0.06 -2.21 0.04 0.00 0.10 0.00 0.00 66.02 63.89 1jhw s SER 103 CO 0.43 0.18 0.80 0.47 0.98 0.00 0.00 173.24 176.10 1jhw n ASP 104 N 2.91 0.02 -0.12 7.02 10.43 -1.26 0.26 116.55 135.81 1jhw n ASP 104 Ca -0.12 0.28 -0.23 0.00 2.57 0.00 0.00 54.79 57.29 1jhw n ASP 104 Cb 0.52 -0.28 -0.11 0.00 1.84 0.00 0.00 41.12 43.09 1jhw n ASP 104 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 1jhw n LEU 105 N -1.32 2.51 -0.21 0.64 7.94 -1.26 -3.87 117.00 121.44 1jhw n LEU 105 Ca -0.00 0.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 1jhw n LEU 105 Cb 0.24 -0.90 0.11 0.00 0.53 0.00 0.00 43.42 43.40 1jhw n LEU 105 CO 0.00 0.76 0.99 0.15 -1.11 0.00 0.00 177.39 178.18 1jhw h PHE 106 N -0.42 0.39 -0.42 1.96 3.57 0.32 0.33 116.94 122.67 1jhw h PHE 106 Ca -0.60 0.03 0.04 0.00 3.53 0.00 0.00 57.97 60.97 1jhw h PHE 106 Cb 1.77 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 40.41 1jhw h PHE 106 CO -0.00 0.09 0.28 0.52 -2.23 0.00 0.00 178.31 176.97 1jhw h MET 107 N 0.40 0.42 0.00 1.11 2.86 -0.99 -1.99 114.93 116.75 1jhw h MET 107 Ca 0.31 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1jhw h MET 107 Cb 0.39 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1jhw h MET 107 CO -0.31 0.28 0.33 0.77 1.06 0.00 0.00 176.91 179.04 1jhw h SER 108 N 0.43 0.00 0.77 1.22 0.02 -0.45 0.30 113.55 115.85 1jhw h SER 108 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1jhw h SER 108 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1jhw h SER 108 CO -0.04 0.00 -0.42 -1.22 -1.14 0.00 0.00 176.83 174.01 1jhw n TYR 109 N -2.72 0.25 -3.99 3.45 4.02 -0.75 -4.75 117.16 112.67 1jhw n TYR 109 Ca -0.02 0.07 -0.31 0.00 -0.01 0.00 0.00 57.90 57.63 1jhw n TYR 109 Cb 0.37 -0.48 -0.15 0.00 -0.02 0.00 0.00 39.34 39.07 1jhw n TYR 109 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1jhw s PHE 110 N -3.06 2.96 0.00 -0.72 0.40 0.10 -5.05 117.98 112.62 1jhw s PHE 110 Ca 0.10 -2.23 0.00 0.00 -0.60 0.00 0.00 56.93 54.20 1jhw s PHE 110 Cb 0.16 -2.01 0.00 0.00 0.51 0.00 0.00 43.02 41.68 1jhw s PHE 110 CO 0.67 -0.86 0.00 -0.35 0.70 0.00 0.00 175.22 175.38 1jhw n PRO 111 N 4.50 0.00 -0.32 0.24 -0.04 -1.26 -3.72 135.00 134.40 1jhw n PRO 111 Ca -0.09 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.48 1jhw n PRO 111 Cb 0.43 -0.14 0.22 0.00 -0.04 0.00 0.00 33.50 33.97 1jhw n PRO 111 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 1jhw h ARG 112 N 0.00 0.03 0.00 0.54 -0.00 -1.97 -3.47 114.38 109.51 1jhw h ARG 112 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1jhw h ARG 112 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 29.96 1jhw h ARG 112 CO 0.00 0.02 0.00 0.41 -0.00 0.00 0.00 179.97 180.40 1jhw n GLY 113 N -1.50 0.38 3.88 0.08 0.00 -1.24 -5.12 105.19 101.67 1jhw n GLY 113 Ca 0.19 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 1jhw n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jhw s LEU 114 N 0.00 4.28 -0.38 0.99 1.43 -1.26 -4.86 118.68 118.88 1jhw s LEU 114 Ca 0.00 0.79 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 1jhw s LEU 114 Cb 0.00 -3.26 0.12 0.00 0.03 0.00 0.00 46.19 43.08 1jhw s LEU 114 CO 0.00 0.07 0.18 -0.54 0.23 0.00 0.00 176.35 176.29 1jhw s LYS 115 N -2.34 0.99 -0.12 1.70 1.02 -0.50 -5.02 119.74 115.47 1jhw s LYS 115 Ca 0.39 -1.57 -0.29 0.00 0.02 0.00 0.00 55.97 54.51 1jhw s LYS 115 Cb -0.13 -2.11 -0.02 0.00 -0.52 0.00 0.00 37.83 35.05 1jhw s LYS 115 CO 0.21 -1.09 1.15 0.71 -0.92 0.00 0.00 175.35 175.40 1jhw s TYR 116 N 0.93 3.19 0.49 3.18 4.12 -1.26 -2.49 117.35 125.51 1jhw s TYR 116 Ca 0.14 1.28 0.08 0.00 0.02 0.00 0.00 57.07 58.60 1jhw s TYR 116 Cb -0.21 -3.37 0.04 0.00 -1.52 0.00 0.00 41.96 36.89 1jhw s TYR 116 CO -0.10 -1.06 0.59 -0.65 0.02 0.00 0.00 175.55 174.36 1jhw s GLN 117 N 2.68 2.52 -0.07 -0.62 -0.21 -0.83 -4.95 119.66 118.17 1jhw s GLN 117 Ca 0.52 -1.54 -0.26 0.00 0.02 0.00 0.00 55.36 54.11 1jhw s GLN 117 Cb -0.21 -2.57 0.06 0.00 1.00 0.00 0.00 33.01 31.29 1jhw s GLN 117 CO 0.17 -0.51 0.59 -2.00 -2.12 0.00 0.00 175.29 171.42 1jhw s GLU 118 N -4.42 0.92 0.27 2.91 2.12 -1.26 -1.82 118.70 117.42 1jhw s GLU 118 Ca 0.54 0.27 0.00 0.00 0.36 0.00 0.00 54.97 56.14 1jhw s GLU 118 Cb -0.06 0.43 0.00 0.00 0.26 0.00 0.00 34.13 34.76 1jhw s GLU 118 CO 0.33 -0.26 0.00 0.41 -0.54 0.00 0.00 175.26 175.20 1jhw n GLY 119 N 1.31 0.70 7.00 -1.50 0.00 -1.26 -4.89 105.19 106.55 1jhw n GLY 119 Ca -0.19 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1jhw n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jhw n GLY 120 N 0.00 -1.17 3.30 -0.02 0.00 -1.26 -4.91 105.19 101.13 1jhw n GLY 120 Ca 0.00 -1.24 -0.22 0.00 0.00 0.00 0.00 46.02 44.55 1jhw n GLY 120 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jhw s VAL 121 N 0.00 1.73 0.72 1.61 -7.23 -1.26 -5.12 120.40 110.85 1jhw s VAL 121 Ca 0.00 -1.73 -0.17 0.00 -1.81 0.00 0.00 61.98 58.27 1jhw s VAL 121 Cb 0.00 -1.69 -0.12 0.00 0.56 0.00 0.00 36.38 35.14 1jhw s VAL 121 CO 0.00 -0.20 -0.16 -1.84 -0.31 0.00 0.00 175.10 172.58 1jhw n GLU 122 N 0.68 0.07 -0.98 4.82 0.00 -1.26 -4.90 120.64 119.07 1jhw n GLU 122 Ca -0.16 0.03 -0.30 0.00 0.00 0.00 0.00 57.16 56.74 1jhw n GLU 122 Cb 0.55 -1.22 0.23 0.00 0.00 0.00 0.00 31.44 31.01 1jhw n GLU 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1jhw s SER 123 N -1.13 1.09 -0.22 -1.84 1.04 -1.26 -3.16 113.70 108.21 1jhw s SER 123 Ca 0.54 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.83 1jhw s SER 123 Cb -0.36 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.49 1jhw s SER 123 CO 0.69 -4.04 0.00 0.61 0.98 0.00 0.00 173.24 171.48 1jhw n GLY 124 N -0.58 0.20 3.65 7.32 0.00 -1.26 -4.84 105.19 109.68 1jhw n GLY 124 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1jhw n GLY 124 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jhw s PHE 125 N -0.77 1.45 0.37 1.61 5.36 -1.19 -4.99 117.98 119.81 1jhw s PHE 125 Ca 0.00 -0.07 0.07 0.00 -0.96 0.00 0.00 56.93 55.98 1jhw s PHE 125 Cb 0.00 -4.11 -0.02 0.00 -0.34 0.00 0.00 43.02 38.56 1jhw s PHE 125 CO 0.00 -4.75 0.39 0.15 -1.46 0.00 0.00 175.22 169.55 1jhw s LYS 126 N 4.78 2.78 -0.68 10.12 1.02 -1.26 -5.08 119.74 131.42 1jhw s LYS 126 Ca 0.87 -1.28 0.01 0.00 0.02 0.00 0.00 55.97 55.58 1jhw s LYS 126 Cb -0.37 -2.57 0.17 0.00 -0.52 0.00 0.00 37.83 34.53 1jhw s LYS 126 CO 0.37 -0.04 0.49 -1.58 -0.92 0.00 0.00 175.35 173.67 1jhw s HIS 127 N -2.32 3.50 -0.01 3.18 5.65 -1.26 -5.05 115.29 118.97 1jhw s HIS 127 Ca 0.46 -3.03 -0.31 0.00 0.25 0.00 0.00 55.06 52.43 1jhw s HIS 127 Cb -0.07 -3.02 -0.09 0.00 -1.18 0.00 0.00 32.58 28.22 1jhw s HIS 127 CO 0.29 -0.73 1.99 0.28 -0.65 0.00 0.00 174.74 175.92 1jhw n VAL 128 N 2.81 0.70 -3.55 0.89 0.31 -1.26 -4.95 118.33 113.28 1jhw n VAL 128 Ca 0.13 -0.17 -0.40 0.00 -0.01 0.00 0.00 64.34 63.89 1jhw n VAL 128 Cb 0.36 -2.27 -0.05 0.00 -0.91 0.00 0.00 33.84 30.97 1jhw n VAL 128 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1jhw s VAL 129 N 4.83 4.72 -0.38 2.52 1.01 -1.26 -5.05 120.40 126.78 1jhw s VAL 129 Ca 0.91 -3.35 -0.40 0.00 0.00 0.00 0.00 61.98 59.14 1jhw s VAL 129 Cb -0.47 -3.93 -0.16 0.00 0.00 0.00 0.00 36.38 31.82 1jhw s VAL 129 CO 0.43 -1.05 1.97 -2.65 0.00 0.00 0.00 175.10 173.80 1jhw n PRO 130 N 2.93 0.70 -3.71 2.72 -0.02 -1.26 -4.86 135.00 131.50 1jhw n PRO 130 Ca 0.17 0.23 -0.37 0.00 -2.02 0.00 0.00 63.50 61.51 1jhw n PRO 130 Cb 0.39 -1.99 -0.10 0.00 -0.02 0.00 0.00 33.50 31.78 1jhw n PRO 130 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1jhw s ASN 131 N 5.28 5.36 0.82 2.55 2.47 -1.26 -5.09 114.94 125.07 1jhw s ASN 131 Ca 1.08 -2.21 -0.15 0.00 0.42 0.00 0.00 52.86 52.01 1jhw s ASN 131 Cb -1.17 -1.88 -0.00 0.00 -1.45 0.00 0.00 41.25 36.76 1jhw s ASN 131 CO 0.63 -0.53 0.52 1.21 -3.72 0.00 0.00 177.10 175.20 1jhw n GLU 132 N 4.39 0.06 -4.39 0.43 0.00 -1.26 -5.01 120.64 114.86 1jhw n GLU 132 Ca -0.01 0.07 -0.26 0.00 0.00 0.00 0.00 57.16 56.96 1jhw n GLU 132 Cb 0.40 -1.88 -0.13 0.00 0.00 0.00 0.00 31.44 29.84 1jhw n GLU 132 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1jhw s VAL 133 N -2.11 1.89 -0.27 6.31 1.01 -1.26 -4.81 120.40 121.15 1jhw s VAL 133 Ca 0.62 -1.56 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 1jhw s VAL 133 Cb -0.29 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1jhw s VAL 133 CO 0.61 0.04 0.18 -0.69 0.00 0.00 0.00 175.10 175.24 1jhw s VAL 134 N -1.07 5.31 -0.23 2.92 1.01 -0.44 -4.95 120.40 122.95 1jhw s VAL 134 Ca 0.09 0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 1jhw s VAL 134 Cb -0.10 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1jhw s VAL 134 CO 0.04 0.28 0.24 -0.69 0.00 0.00 0.00 175.10 174.97 1jhw s VAL 135 N 1.58 5.30 -0.20 2.92 1.01 -1.26 -0.23 120.40 129.52 1jhw s VAL 135 Ca 0.07 0.35 -0.18 0.00 0.00 0.00 0.00 61.98 62.22 1jhw s VAL 135 Cb -0.15 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1jhw s VAL 135 CO 0.09 0.30 0.50 -1.10 0.00 0.00 0.00 175.10 174.89 1jhw s GLN 136 N 1.25 4.18 0.08 2.72 -0.21 -0.32 -4.53 119.66 122.83 1jhw s GLN 136 Ca 0.11 0.38 0.04 0.00 0.02 0.00 0.00 55.36 55.91 1jhw s GLN 136 Cb -0.14 -3.56 -0.03 0.00 1.00 0.00 0.00 33.01 30.28 1jhw s GLN 136 CO 0.06 -0.14 -0.11 0.50 -2.12 0.00 0.00 175.29 173.48 1jhw s ARG 137 N 1.61 0.77 -0.09 2.91 3.52 -0.36 -4.21 118.95 123.10 1jhw s ARG 137 Ca 0.23 -1.00 0.01 0.00 -0.13 0.00 0.00 55.73 54.85 1jhw s ARG 137 Cb -0.15 -0.60 0.02 0.00 -1.56 0.00 0.00 34.95 32.66 1jhw s ARG 137 CO 0.09 0.11 -0.12 -1.17 -0.81 0.00 0.00 175.30 173.41 1jhw s LEU 138 N -2.00 1.54 0.06 -0.88 2.96 -1.26 -0.67 118.68 118.43 1jhw s LEU 138 Ca -0.01 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.63 1jhw s LEU 138 Cb -0.07 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.68 1jhw s LEU 138 CO 0.01 -0.01 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.59 1jhw s TYR 139 N 1.04 2.69 -0.60 5.38 1.51 -0.08 0.10 117.35 127.39 1jhw s TYR 139 Ca -0.07 -0.18 -0.11 0.00 -1.01 0.00 0.00 57.07 55.70 1jhw s TYR 139 Cb -0.15 -1.47 0.15 0.00 -0.11 0.00 0.00 41.96 40.38 1jhw s TYR 139 CO -0.01 0.35 0.50 -1.14 -1.11 0.00 0.00 175.55 174.14 1jhw s GLN 140 N -1.77 2.88 0.67 -0.62 0.74 0.18 -1.34 119.66 120.40 1jhw s GLN 140 Ca 0.18 -2.03 -0.17 0.00 0.05 0.00 0.00 55.36 53.39 1jhw s GLN 140 Cb -0.11 -4.11 0.00 0.00 1.10 0.00 0.00 33.01 29.89 1jhw s GLN 140 CO 0.09 -1.25 1.28 0.08 -0.55 0.00 0.00 175.29 174.95 1jhw s VAL 141 N 0.93 2.04 -0.29 1.34 1.01 -1.11 -3.19 120.40 121.13 1jhw s VAL 141 Ca 0.10 0.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 1jhw s VAL 141 Cb -0.22 -2.93 0.15 0.00 0.00 0.00 0.00 36.38 33.38 1jhw s VAL 141 CO -0.02 -0.01 1.08 -0.54 0.00 0.00 0.00 175.10 175.61 1jhw s LYS 142 N -3.48 0.35 0.00 2.72 1.02 -1.06 -4.51 119.74 114.78 1jhw s LYS 142 Ca 0.81 0.51 0.00 0.00 0.02 0.00 0.00 55.97 57.31 1jhw s LYS 142 Cb -0.36 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.07 1jhw s LYS 142 CO 0.41 -0.06 0.00 0.41 -0.92 0.00 0.00 175.35 175.19 1jhw n GLY 143 N 2.81 3.53 0.10 -3.33 0.00 -1.26 -2.38 105.19 104.66 1jhw n GLY 143 Ca -0.15 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 1jhw n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhw h ALA 144 N 0.00 0.03 0.00 4.61 0.00 -2.02 -3.42 119.26 118.46 1jhw h ALA 144 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1jhw h ALA 144 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jhw h ALA 144 CO 0.00 0.08 -0.91 1.63 0.00 0.00 0.00 179.25 180.05 1jhw n LYS 145 N -4.51 0.48 -3.10 0.00 4.01 -1.26 -4.97 118.16 108.82 1jhw n LYS 145 Ca -0.10 0.19 -0.40 0.00 -0.51 0.00 0.00 58.31 57.49 1jhw n LYS 145 Cb 0.51 -1.35 -0.06 0.00 -0.51 0.00 0.00 35.03 33.62 1jhw n LYS 145 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1jhw s ASN 146 N -5.75 6.74 -0.33 4.39 0.02 -1.26 -5.06 114.94 113.69 1jhw s ASN 146 Ca -0.26 0.89 -0.21 0.00 -1.02 0.00 0.00 52.86 52.26 1jhw s ASN 146 Cb 0.04 -2.36 -0.00 0.00 0.02 0.00 0.00 41.25 38.94 1jhw s ASN 146 CO 0.39 -0.26 0.67 -0.63 0.02 0.00 0.00 177.10 177.29 1jhw s ILE 147 N 1.79 4.88 -0.22 0.60 1.09 -1.26 -4.10 121.20 123.98 1jhw s ILE 147 Ca 0.30 0.82 -0.02 0.00 -1.10 0.00 0.00 60.65 60.65 1jhw s ILE 147 Cb -0.16 -4.06 0.07 0.00 -1.06 0.00 0.00 42.46 37.24 1jhw s ILE 147 CO 0.11 -0.24 0.04 -0.13 -0.10 0.00 0.00 174.94 174.62 1jhw s ARG 148 N 2.74 0.72 -0.28 2.79 0.52 -1.00 -5.01 118.95 119.43 1jhw s ARG 148 Ca 0.27 -0.56 -0.16 0.00 -0.52 0.00 0.00 55.73 54.75 1jhw s ARG 148 Cb -0.14 -2.10 -0.03 0.00 0.52 0.00 0.00 34.95 33.19 1jhw s ARG 148 CO 0.13 -0.70 0.44 0.00 0.02 0.00 0.00 175.30 175.19 1jhw s ALA 149 N 1.80 3.56 -0.21 2.13 0.00 -1.26 -2.56 121.76 125.21 1jhw s ALA 149 Ca 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 51.96 51.09 1jhw s ALA 149 Cb -0.17 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1jhw s ALA 149 CO -0.11 -0.78 0.10 0.99 0.00 0.00 0.00 175.76 175.96 1jhw s THR 150 N 2.20 4.96 0.13 0.00 2.01 -1.19 -4.82 115.64 118.91 1jhw s THR 150 Ca 0.18 0.03 -0.31 0.00 0.31 0.00 0.00 61.69 61.90 1jhw s THR 150 Cb -0.16 -3.28 -0.11 0.00 0.01 0.00 0.00 72.50 68.97 1jhw s THR 150 CO 0.10 0.40 1.84 1.21 -0.69 0.00 0.00 174.62 177.48 1jhw n GLU 151 N 3.98 2.80 -4.56 4.92 2.13 -1.26 -0.65 120.64 128.01 1jhw n GLU 151 Ca -0.16 1.02 -0.31 0.00 0.66 0.00 0.00 57.16 58.37 1jhw n GLU 151 Cb 0.52 -2.91 -0.07 0.00 0.27 0.00 0.00 31.44 29.25 1jhw n GLU 151 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1jhw s ARG 152 N 2.69 2.18 0.27 5.31 1.81 0.29 -4.90 118.95 126.60 1jhw s ARG 152 Ca 0.82 -2.27 -0.20 0.00 -1.72 0.00 0.00 55.73 52.36 1jhw s ARG 152 Cb -0.48 -1.67 -0.09 0.00 -0.45 0.00 0.00 34.95 32.26 1jhw s ARG 152 CO 0.37 -0.34 0.79 0.00 -0.68 0.00 0.00 175.30 175.43 1jhw s ALA 153 N -2.82 3.33 -1.17 2.13 0.00 -1.26 -4.13 121.76 117.83 1jhw s ALA 153 Ca 0.16 0.24 -0.18 0.00 0.00 0.00 0.00 51.96 52.18 1jhw s ALA 153 Cb 0.02 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 1jhw s ALA 153 CO 0.09 0.28 2.02 1.28 0.00 0.00 0.00 175.76 179.43 1jhw n LEU 154 N 0.42 5.21 -3.73 0.00 4.77 -0.69 -4.66 117.00 118.31 1jhw n LEU 154 Ca 0.00 -3.58 -0.12 0.00 -0.03 0.00 0.00 56.01 52.28 1jhw n LEU 154 Cb 0.51 -1.50 -0.11 0.00 -2.33 0.00 0.00 43.42 39.99 1jhw n LEU 154 CO 0.43 0.13 0.00 0.21 -1.33 0.00 0.00 177.39 176.83 1jhw s ASN 155 N 4.33 -0.39 0.57 -1.43 3.04 -1.26 -4.64 114.94 115.16 1jhw s ASN 155 Ca 0.54 0.72 0.28 0.00 0.04 0.00 0.00 52.86 54.44 1jhw s ASN 155 Cb 0.11 0.67 1.52 0.00 -1.54 0.00 0.00 41.25 42.01 1jhw s ASN 155 CO 0.03 -0.15 2.01 -0.50 -3.04 0.00 0.00 177.10 175.45 1jhw h TRP 156 N 6.34 0.00 0.00 0.43 4.06 -1.87 0.29 115.95 125.21 1jhw h TRP 156 Ca -0.32 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.63 1jhw h TRP 156 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 1jhw h TRP 156 CO 0.35 0.00 0.06 -0.25 -3.56 0.00 0.00 178.44 175.04 1jhw n ASP 157 N -3.95 0.11 0.02 -3.49 9.92 -1.26 -1.69 116.55 116.22 1jhw n ASP 157 Ca 0.06 0.51 -0.15 0.00 -0.53 0.00 0.00 54.79 54.68 1jhw n ASP 157 Cb 0.51 -0.51 -0.14 0.00 -0.64 0.00 0.00 41.12 40.34 1jhw n ASP 157 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1jhw h SER 158 N 0.00 0.26 -4.12 -2.24 0.02 -0.67 -3.48 113.55 103.32 1jhw h SER 158 Ca 0.00 -0.45 -0.49 0.00 -0.84 0.00 0.00 61.79 60.01 1jhw h SER 158 Cb 0.12 -0.08 0.05 0.00 0.14 0.00 0.00 62.40 62.63 1jhw h SER 158 CO 0.00 1.39 0.39 -0.36 -1.14 0.00 0.00 176.83 177.11 1jhw s PHE 159 N -2.60 2.92 0.29 3.45 0.40 -0.68 -5.06 117.98 116.70 1jhw s PHE 159 Ca -0.11 1.55 0.02 0.00 -0.60 0.00 0.00 56.93 57.80 1jhw s PHE 159 Cb 0.07 -3.09 -0.06 0.00 0.51 0.00 0.00 43.02 40.46 1jhw s PHE 159 CO 0.82 -1.10 0.08 1.21 0.70 0.00 0.00 175.22 176.93 1jhw s ASN 160 N -2.25 1.76 0.02 1.36 3.84 -1.26 -4.34 114.94 114.07 1jhw s ASN 160 Ca 0.67 -1.39 0.22 0.00 0.21 0.00 0.00 52.86 52.57 1jhw s ASN 160 Cb -0.18 0.06 -0.12 0.00 -0.55 0.00 0.00 41.25 40.46 1jhw s ASN 160 CO 0.28 -0.68 0.84 0.35 -2.79 0.00 0.00 177.10 175.10 1jhw n THR 161 N -0.58 0.11 -0.38 -5.21 -2.24 -0.23 -4.28 114.28 101.48 1jhw n THR 161 Ca -0.01 -0.28 0.11 0.00 -2.27 0.00 0.00 64.05 61.60 1jhw n THR 161 Cb 0.66 0.29 0.32 0.00 -2.10 0.00 0.00 70.33 69.50 1jhw n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jhw n GLY 162 N 1.36 2.54 3.35 3.38 0.00 -1.26 0.28 105.19 114.83 1jhw n GLY 162 Ca 0.01 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 1jhw n GLY 162 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jhw s ASP 163 N -1.00 2.05 0.29 1.61 1.01 -1.26 -4.23 116.67 115.14 1jhw s ASP 163 Ca 0.48 -1.20 0.07 0.00 0.71 0.00 0.00 52.55 52.60 1jhw s ASP 163 Cb 0.25 -0.03 -0.03 0.00 1.01 0.00 0.00 42.92 44.12 1jhw s ASP 163 CO 0.32 -0.46 0.33 0.00 0.21 0.00 0.00 175.17 175.57 1jhw s PHE 165 N -2.14 0.04 -0.07 0.00 0.40 -0.30 -2.76 117.98 113.14 1jhw s PHE 165 Ca 0.38 -0.23 0.05 0.00 -0.60 0.00 0.00 56.93 56.52 1jhw s PHE 165 Cb -0.08 -0.02 -0.00 0.00 0.51 0.00 0.00 43.02 43.43 1jhw s PHE 165 CO 0.28 -0.43 -0.22 0.42 0.70 0.00 0.00 175.22 175.97 1jhw s ILE 166 N -2.47 1.84 -0.33 0.64 1.01 -0.45 -1.44 121.20 120.00 1jhw s ILE 166 Ca -0.06 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.70 1jhw s ILE 166 Cb -0.01 -1.57 0.10 0.00 0.01 0.00 0.00 42.46 40.98 1jhw s ILE 166 CO -0.03 0.51 0.04 -0.76 0.00 0.00 0.00 174.94 174.70 1jhw s LEU 167 N 0.09 4.44 -0.72 2.97 1.43 -0.41 -0.91 118.68 125.57 1jhw s LEU 167 Ca -0.09 -2.05 -0.24 0.00 -1.03 0.00 0.00 54.13 50.72 1jhw s LEU 167 Cb -0.15 -1.56 0.06 0.00 0.03 0.00 0.00 46.19 44.57 1jhw s LEU 167 CO 0.05 -0.37 1.11 -0.62 0.23 0.00 0.00 176.35 176.76 1jhw s ASP 168 N 0.98 6.21 -0.32 2.29 -1.08 0.15 -1.68 116.67 123.22 1jhw s ASP 168 Ca 0.09 -0.86 0.09 0.00 -0.52 0.00 0.00 52.55 51.35 1jhw s ASP 168 Cb -0.19 -2.48 0.58 0.00 -1.46 0.00 0.00 42.92 39.38 1jhw s ASP 168 CO -0.09 -1.58 1.62 0.18 0.52 0.00 0.00 175.17 175.82 1jhw n LEU 169 N 8.34 5.02 0.00 -1.34 4.77 -0.22 -1.22 117.00 132.35 1jhw n LEU 169 Ca 0.02 -3.57 0.00 0.00 -0.03 0.00 0.00 56.01 52.43 1jhw n LEU 169 Cb 0.47 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1jhw n LEU 169 CO 0.66 1.08 0.00 0.61 -1.33 0.00 0.00 177.39 178.41 1jhw n GLY 170 N -0.93 2.12 0.28 -0.72 0.00 -1.26 -4.01 105.19 100.67 1jhw n GLY 170 Ca 0.40 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.41 1jhw n GLY 170 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1jhw h GLN 171 N 0.00 0.00 -5.14 1.61 3.07 -1.95 -3.42 115.11 109.28 1jhw h GLN 171 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 58.65 58.25 1jhw h GLN 171 Cb 0.00 0.00 -0.30 0.00 0.08 0.00 0.00 27.48 27.26 1jhw h GLN 171 CO 0.00 0.00 -0.81 -0.80 0.09 0.00 0.00 178.83 177.31 1jhw s ASN 172 N -6.89 1.65 0.05 0.06 0.02 -1.26 -1.08 114.94 107.49 1jhw s ASN 172 Ca -0.05 -0.26 0.08 0.00 -1.02 0.00 0.00 52.86 51.61 1jhw s ASN 172 Cb 0.17 -0.29 -0.03 0.00 0.02 0.00 0.00 41.25 41.12 1jhw s ASN 172 CO 0.67 0.15 -0.22 -0.63 0.02 0.00 0.00 177.10 177.09 1jhw s ILE 173 N -0.15 1.76 -0.01 0.60 1.01 0.17 -1.05 121.20 123.54 1jhw s ILE 173 Ca 0.02 -1.27 0.03 0.00 0.00 0.00 0.00 60.65 59.42 1jhw s ILE 173 Cb -0.07 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 1jhw s ILE 173 CO 0.00 0.21 -0.10 -0.36 0.00 0.00 0.00 174.94 174.69 1jhw s PHE 174 N -0.84 0.86 -0.85 3.97 0.40 -0.67 -2.18 117.98 118.68 1jhw s PHE 174 Ca 0.08 -0.17 -0.02 0.00 -0.60 0.00 0.00 56.93 56.22 1jhw s PHE 174 Cb -0.09 -0.56 0.21 0.00 0.51 0.00 0.00 43.02 43.09 1jhw s PHE 174 CO 0.02 -0.02 0.72 0.00 0.70 0.00 0.00 175.22 176.64 1jhw s ALA 175 N -0.20 4.13 0.26 5.36 0.00 -1.08 -1.29 121.76 128.93 1jhw s ALA 175 Ca 0.03 -3.73 -0.30 0.00 0.00 0.00 0.00 51.96 47.97 1jhw s ALA 175 Cb -0.04 -2.81 -0.10 0.00 0.00 0.00 0.00 23.12 20.17 1jhw s ALA 175 CO -0.00 -2.14 1.33 -0.46 0.00 0.00 0.00 175.76 174.49 1jhw s TRP 176 N -1.10 3.14 -0.20 0.00 -0.00 -0.52 -1.59 118.94 118.67 1jhw s TRP 176 Ca 0.25 1.26 0.01 0.00 -0.00 0.00 0.00 56.10 57.62 1jhw s TRP 176 Cb -0.10 -3.67 0.04 0.00 -0.00 0.00 0.00 33.47 29.74 1jhw s TRP 176 CO -0.11 -2.02 -0.14 0.00 -0.00 0.00 0.00 176.95 174.68 1jhw n GLY 178 N 4.62 -1.68 0.29 0.00 0.00 0.45 -1.19 105.19 107.69 1jhw n GLY 178 Ca -0.17 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1jhw n GLY 178 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jhw h GLY 179 N 0.94 1.09 -3.16 -0.02 0.00 -1.17 -2.92 103.07 97.83 1jhw h GLY 179 Ca -0.35 -0.74 -0.26 0.00 0.00 0.00 0.00 47.33 45.98 1jhw h GLY 179 CO 0.54 0.69 0.33 0.58 0.00 0.00 0.00 176.54 178.67 1jhw n LYS 180 N -4.27 2.27 -4.12 4.80 0.00 0.14 -4.90 118.16 112.08 1jhw n LYS 180 Ca 0.03 -2.01 -0.22 0.00 -0.00 0.00 0.00 58.31 56.11 1jhw n LYS 180 Cb 0.29 -1.84 -0.05 0.00 -0.00 0.00 0.00 35.03 33.44 1jhw n LYS 180 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1jhw s SER 181 N -0.51 5.34 0.99 -5.58 1.04 -1.10 -4.56 113.70 109.31 1jhw s SER 181 Ca 0.37 -0.34 -0.12 0.00 0.48 0.00 0.00 55.95 56.34 1jhw s SER 181 Cb 0.31 -1.27 0.18 0.00 0.10 0.00 0.00 66.02 65.34 1jhw s SER 181 CO 0.08 -0.06 1.08 0.20 0.98 0.00 0.00 173.24 175.52 1jhw s ASN 182 N -3.83 2.63 0.16 7.02 -0.87 -1.26 -4.92 114.94 113.87 1jhw s ASN 182 Ca 0.33 1.40 0.10 0.00 -1.57 0.00 0.00 52.86 53.12 1jhw s ASN 182 Cb -0.07 -2.08 -0.11 0.00 -0.02 0.00 0.00 41.25 38.97 1jhw s ASN 182 CO 0.24 -3.15 1.28 0.40 -2.57 0.00 0.00 177.10 173.30 1jhw h ILE 183 N -1.91 1.32 -0.05 0.60 1.08 -1.99 -2.15 117.51 114.42 1jhw h ILE 183 Ca -0.53 -2.91 -0.01 0.00 -0.39 0.00 0.00 64.86 61.01 1jhw h ILE 183 Cb 1.31 2.64 -0.00 0.00 -3.07 0.00 0.00 36.82 37.70 1jhw h ILE 183 CO 0.54 0.75 -0.01 -0.07 -0.69 0.00 0.00 178.15 178.68 1jhw h LEU 184 N 0.00 0.09 -1.11 1.44 3.38 -2.00 -2.09 115.31 115.02 1jhw h LEU 184 Ca -0.03 -0.37 0.15 0.00 0.09 0.00 0.00 57.88 57.71 1jhw h LEU 184 Cb 1.65 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 42.29 1jhw h LEU 184 CO 0.10 0.44 0.61 -0.33 0.09 0.00 0.00 178.44 179.35 1jhw h GLU 185 N -0.26 0.81 -0.39 1.13 5.08 -1.93 -1.04 114.58 117.98 1jhw h GLU 185 Ca 0.01 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1jhw h GLU 185 Cb 0.40 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1jhw h GLU 185 CO 0.00 0.53 -0.16 -0.09 -1.00 0.00 0.00 179.01 178.30 1jhw h ARG 186 N 0.83 0.71 0.02 2.33 2.43 -1.03 -2.77 114.38 116.91 1jhw h ARG 186 Ca 0.50 -0.25 -0.20 0.00 -0.81 0.00 0.00 59.98 59.22 1jhw h ARG 186 Cb 0.68 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1jhw h ARG 186 CO -0.27 0.83 -0.94 -0.91 -1.51 0.00 0.00 179.97 177.18 1jhw h ASN 187 N 0.64 0.16 0.20 -3.80 2.35 -0.53 -2.04 115.58 112.57 1jhw h ASN 187 Ca 0.10 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1jhw h ASN 187 Cb 0.63 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 1jhw h ASN 187 CO 0.04 1.01 -0.12 0.11 -1.65 0.00 0.00 177.43 176.82 1jhw h LYS 188 N 0.06 -0.29 -0.22 0.81 1.57 -1.36 0.54 116.57 117.68 1jhw h LYS 188 Ca -0.04 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1jhw h LYS 188 Cb 1.61 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 33.91 1jhw h LYS 188 CO 0.14 -0.20 -0.38 0.00 -0.57 0.00 0.00 179.45 178.44 1jhw h ALA 189 N 0.49 -0.44 -0.53 3.86 0.00 -1.38 -0.25 119.26 121.01 1jhw h ALA 189 Ca -0.02 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1jhw h ALA 189 Cb 0.25 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1jhw h ALA 189 CO 0.03 -0.85 0.35 0.07 0.00 0.00 0.00 179.25 178.85 1jhw h ARG 190 N -0.40 0.62 0.16 0.00 -0.00 -1.03 -1.44 114.38 112.30 1jhw h ARG 190 Ca 0.11 -0.04 -0.01 0.00 -0.00 0.00 0.00 59.98 60.04 1jhw h ARG 190 Cb 0.58 -0.14 0.00 0.00 -0.00 0.00 0.00 29.97 30.41 1jhw h ARG 190 CO -0.44 0.41 -0.08 -0.44 -0.00 0.00 0.00 179.97 179.43 1jhw h ASP 191 N 0.64 -0.19 -0.02 0.08 3.32 0.24 0.59 116.42 121.09 1jhw h ASP 191 Ca 0.21 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 57.08 1jhw h ASP 191 Cb 0.04 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1jhw h ASP 191 CO -0.05 0.11 -0.15 0.25 -1.72 0.00 0.00 179.24 177.67 1jhw h LEU 192 N -0.49 -0.45 -1.31 1.55 5.85 -0.82 -1.43 115.31 118.21 1jhw h LEU 192 Ca -0.02 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1jhw h LEU 192 Cb 0.38 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1jhw h LEU 192 CO 0.04 -0.21 -0.23 0.00 -0.34 0.00 0.00 178.44 177.70 1jhw h ALA 193 N 0.71 1.10 -0.10 1.25 0.00 -1.23 -0.17 119.26 120.82 1jhw h ALA 193 Ca 0.06 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1jhw h ALA 193 Cb 0.32 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1jhw h ALA 193 CO -0.16 0.29 -0.54 1.25 0.00 0.00 0.00 179.25 180.09 1jhw h LEU 194 N 0.00 0.33 0.47 0.00 5.85 0.78 -3.09 115.31 119.66 1jhw h LEU 194 Ca -0.00 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 1jhw h LEU 194 Cb 0.66 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1jhw h LEU 194 CO 0.03 0.81 -0.23 0.00 -0.34 0.00 0.00 178.44 178.71 1jhw h ALA 195 N 1.20 -1.01 -0.86 1.25 0.00 -0.01 -1.89 119.26 117.95 1jhw h ALA 195 Ca 0.00 -0.14 0.28 0.00 0.00 0.00 0.00 54.91 55.06 1jhw h ALA 195 Cb 1.02 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1jhw h ALA 195 CO 0.09 -0.96 0.57 -0.89 0.00 0.00 0.00 179.25 178.06 1jhw n ILE 196 N -3.96 -0.10 0.01 0.00 5.41 -0.58 0.20 119.36 120.33 1jhw n ILE 196 Ca -0.08 0.96 -0.19 0.00 1.00 0.00 0.00 62.75 64.44 1jhw n ILE 196 Cb 0.25 -1.57 -0.14 0.00 -0.71 0.00 0.00 39.64 37.47 1jhw n ILE 196 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1jhw h ARG 197 N 0.00 0.22 0.66 0.38 2.47 -1.43 -2.41 114.38 114.26 1jhw h ARG 197 Ca 0.50 -0.37 -0.03 0.00 -1.26 0.00 0.00 59.98 58.81 1jhw h ARG 197 Cb 1.72 0.14 0.01 0.00 -1.65 0.00 0.00 29.97 30.19 1jhw h ARG 197 CO -0.19 1.07 -0.32 0.38 0.56 0.00 0.00 179.97 181.47 1jhw h ASP 198 N 0.06 -0.75 0.00 7.04 3.04 0.31 0.65 116.42 126.77 1jhw h ASP 198 Ca -0.38 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.43 1jhw h ASP 198 Cb 2.03 0.19 0.00 0.00 -1.04 0.00 0.00 39.33 40.52 1jhw h ASP 198 CO 0.10 -0.44 0.00 -1.20 -2.04 0.00 0.00 179.24 175.66 1jhw n SER 199 N -4.91 0.00 -0.23 4.15 7.64 0.19 -1.11 113.62 119.35 1jhw n SER 199 Ca -0.11 0.45 0.18 0.00 1.01 0.00 0.00 58.87 60.40 1jhw n SER 199 Cb 0.35 -0.43 0.51 0.00 -1.01 0.00 0.00 64.21 63.63 1jhw n SER 199 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1jhw h GLU 200 N 0.00 0.40 -0.00 1.43 5.08 -1.73 0.52 114.58 120.28 1jhw h GLU 200 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1jhw h GLU 200 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1jhw h GLU 200 CO 0.00 0.27 -0.63 0.54 -1.00 0.00 0.00 179.01 178.18 1jhw n ARG 201 N -4.50 0.26 -1.40 2.33 1.74 -0.91 -4.94 116.66 109.24 1jhw n ARG 201 Ca 0.18 -0.19 -0.14 0.00 -0.77 0.00 0.00 57.85 56.93 1jhw n ARG 201 Cb 0.66 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.55 1jhw n ARG 201 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1jhw n GLN 202 N -1.20 -1.61 0.00 5.56 7.27 0.18 -2.83 117.38 124.75 1jhw n GLN 202 Ca 0.06 0.97 0.00 0.00 0.07 0.00 0.00 57.00 58.11 1jhw n GLN 202 Cb 0.35 -5.36 0.00 0.00 2.41 0.00 0.00 30.24 27.64 1jhw n GLN 202 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1jhw n GLY 203 N 0.03 3.23 3.55 1.69 0.00 0.23 -4.89 105.19 109.03 1jhw n GLY 203 Ca -0.14 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 1jhw n GLY 203 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jhw s LYS 204 N 0.00 3.41 0.00 1.61 -2.85 -1.13 -4.76 119.74 116.02 1jhw s LYS 204 Ca 0.00 -0.75 0.00 0.00 -1.00 0.00 0.00 55.97 54.22 1jhw s LYS 204 Cb 0.00 -4.83 0.00 0.00 -2.06 0.00 0.00 37.83 30.94 1jhw s LYS 204 CO 0.00 -2.17 0.00 0.00 0.10 0.00 0.00 175.35 173.28 1jhw n ALA 205 N 9.05 0.00 -2.09 0.59 0.00 -1.26 -4.90 120.51 121.90 1jhw n ALA 205 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.28 1jhw n ALA 205 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 1jhw n ALA 205 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1jhw s GLN 206 N -0.55 4.20 0.15 0.00 -0.21 -0.24 -4.94 119.66 118.05 1jhw s GLN 206 Ca 0.00 0.84 0.10 0.00 0.02 0.00 0.00 55.36 56.32 1jhw s GLN 206 Cb 0.00 -2.72 -0.04 0.00 1.00 0.00 0.00 33.01 31.25 1jhw s GLN 206 CO 0.00 0.31 -0.20 0.08 -2.12 0.00 0.00 175.29 173.36 1jhw s VAL 207 N -1.68 2.69 -0.25 1.09 1.01 -1.26 -0.65 120.40 121.34 1jhw s VAL 207 Ca 0.47 -1.70 -0.09 0.00 0.00 0.00 0.00 61.98 60.67 1jhw s VAL 207 Cb -0.15 -2.26 0.11 0.00 0.00 0.00 0.00 36.38 34.09 1jhw s VAL 207 CO 0.20 0.01 0.53 -1.61 0.00 0.00 0.00 175.10 174.24 1jhw s GLU 208 N -2.36 0.45 0.18 2.72 2.02 -0.93 -4.95 118.70 115.84 1jhw s GLU 208 Ca 0.19 1.24 -0.30 0.00 0.02 0.00 0.00 54.97 56.12 1jhw s GLU 208 Cb -0.10 0.59 -0.08 0.00 0.10 0.00 0.00 34.13 34.65 1jhw s GLU 208 CO 0.10 -0.22 1.01 0.42 0.02 0.00 0.00 175.26 176.59 1jhw s ILE 209 N 2.72 4.10 -0.05 -1.63 1.09 -1.26 -2.64 121.20 123.52 1jhw s ILE 209 Ca -0.04 1.89 0.06 0.00 -1.10 0.00 0.00 60.65 61.46 1jhw s ILE 209 Cb -0.12 -4.21 -0.01 0.00 -1.06 0.00 0.00 42.46 37.06 1jhw s ILE 209 CO -0.16 0.36 -0.23 -0.69 -0.10 0.00 0.00 174.94 174.13 1jhw s VAL 210 N -0.53 1.88 -0.13 2.92 1.01 -0.62 -4.89 120.40 120.03 1jhw s VAL 210 Ca 0.46 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 1jhw s VAL 210 Cb -0.27 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1jhw s VAL 210 CO 0.33 0.53 0.07 0.42 0.00 0.00 0.00 175.10 176.45 1jhw s THR 211 N -0.17 4.93 0.20 3.92 -4.23 -1.26 0.17 115.64 119.20 1jhw s THR 211 Ca -0.02 -0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.20 1jhw s THR 211 Cb -0.13 -3.16 -0.17 0.00 1.34 0.00 0.00 72.50 70.39 1jhw s THR 211 CO 0.03 0.55 0.65 -0.67 -0.54 0.00 0.00 174.62 174.64 1jhw n ASP 212 N 2.61 -0.71 0.00 3.99 -0.08 -0.33 -0.67 116.55 121.36 1jhw n ASP 212 Ca -0.18 1.14 0.00 0.00 -1.51 0.00 0.00 54.79 54.24 1jhw n ASP 212 Cb 0.54 -1.01 0.00 0.00 2.34 0.00 0.00 41.12 42.99 1jhw n ASP 212 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jhw n GLY 213 N 1.85 2.75 1.19 0.27 0.00 -1.26 -4.79 105.19 105.19 1jhw n GLY 213 Ca 0.17 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.49 1jhw n GLY 213 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jhw n GLU 214 N 0.00 1.70 -1.62 1.61 1.02 0.15 -4.97 120.64 118.54 1jhw n GLU 214 Ca 0.00 -0.92 -0.52 0.00 -0.02 0.00 0.00 57.16 55.70 1jhw n GLU 214 Cb 0.00 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 29.85 1jhw n GLU 214 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1jhw n GLU 215 N 0.08 1.33 -1.14 3.49 0.00 -1.26 -4.82 120.64 118.32 1jhw n GLU 215 Ca 0.14 0.48 -0.30 0.00 0.00 0.00 0.00 57.16 57.48 1jhw n GLU 215 Cb 0.72 -2.16 0.15 0.00 0.00 0.00 0.00 31.44 30.15 1jhw n GLU 215 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.13 174.99 1jhw s PRO 216 N 1.18 1.12 0.09 3.44 0.02 -1.26 -4.86 135.00 134.72 1jhw s PRO 216 Ca 0.86 0.85 -0.25 0.00 0.02 0.00 0.00 61.00 62.49 1jhw s PRO 216 Cb -0.92 -1.79 -0.09 0.00 0.02 0.00 0.00 34.50 31.72 1jhw s PRO 216 CO 0.49 -2.35 1.41 0.00 -0.33 0.00 0.00 177.00 176.22 1jhw h ALA 217 N -1.63 -0.70 -0.96 -1.55 0.00 -2.00 -1.94 119.26 110.49 1jhw h ALA 217 Ca -0.50 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 54.58 1jhw h ALA 217 Cb 1.29 0.98 -0.18 0.00 0.00 0.00 0.00 17.79 19.88 1jhw h ALA 217 CO 0.54 -0.88 -0.27 0.39 0.00 0.00 0.00 179.25 179.03 1jhw n GLU 218 N -4.68 -0.11 -0.27 0.00 4.71 -1.26 0.11 120.64 119.14 1jhw n GLU 218 Ca -0.03 1.49 0.04 0.00 -0.01 0.00 0.00 57.16 58.65 1jhw n GLU 218 Cb 0.26 -2.22 0.18 0.00 -1.01 0.00 0.00 31.44 28.65 1jhw n GLU 218 CO 0.00 0.00 0.00 0.52 0.09 0.00 0.00 177.13 177.74 1jhw h MET 219 N 0.00 0.57 0.00 3.49 2.86 -1.71 -0.69 114.93 119.45 1jhw h MET 219 Ca 0.43 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.94 1jhw h MET 219 Cb 0.67 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1jhw h MET 219 CO -0.98 0.38 -0.48 0.82 1.06 0.00 0.00 176.91 177.71 1jhw h ILE 220 N 0.59 0.91 0.00 -1.22 2.04 0.93 -1.46 117.51 119.30 1jhw h ILE 220 Ca 0.41 -2.03 0.00 0.00 1.00 0.00 0.00 64.86 64.24 1jhw h ILE 220 Cb 0.52 2.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 1jhw h ILE 220 CO -0.33 0.47 0.00 1.56 0.00 0.00 0.00 178.15 179.85 1jhw h GLN 221 N 0.00 0.00 0.00 2.37 4.20 0.12 0.66 115.11 122.46 1jhw h GLN 221 Ca -0.00 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 1jhw h GLN 221 Cb 1.23 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.97 1jhw h GLN 221 CO 0.06 0.00 -1.80 0.28 -0.67 0.00 0.00 178.83 176.70 1jhw n VAL 222 N -2.33 0.79 0.12 -0.54 0.31 -0.90 -4.69 118.33 111.09 1jhw n VAL 222 Ca 0.02 -0.22 0.03 0.00 -0.01 0.00 0.00 64.34 64.16 1jhw n VAL 222 Cb 0.24 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 1jhw n VAL 222 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1jhw h LEU 223 N -0.43 0.00 0.00 7.52 3.38 -1.33 -3.50 115.31 120.96 1jhw h LEU 223 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1jhw h LEU 223 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1jhw h LEU 223 CO -0.19 0.47 0.00 0.61 0.09 0.00 0.00 178.44 179.41 1jhw n GLY 224 N 1.26 -1.00 3.66 0.83 0.00 0.23 -4.72 105.19 105.45 1jhw n GLY 224 Ca -0.01 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 1jhw n GLY 224 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jhw s PRO 225 N 0.00 4.23 -0.04 1.61 0.04 -1.26 -4.52 135.00 135.05 1jhw s PRO 225 Ca 0.00 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 1jhw s PRO 225 Cb 0.00 -3.80 -0.05 0.00 0.04 0.00 0.00 34.50 30.70 1jhw s PRO 225 CO 0.00 -0.73 1.37 0.21 0.04 0.00 0.00 177.00 177.90 1jhw s LYS 226 N 3.57 4.28 0.00 4.56 2.20 -1.26 -5.00 119.74 128.09 1jhw s LYS 226 Ca 0.58 1.90 0.00 0.00 -0.36 0.00 0.00 55.97 58.08 1jhw s LYS 226 Cb -0.24 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.44 1jhw s LYS 226 CO 0.17 -0.60 0.00 -0.35 -0.36 0.00 0.00 175.35 174.21 1jhw n PRO 227 N 5.71 2.63 -2.21 4.03 -0.04 -1.26 -5.09 135.00 138.76 1jhw n PRO 227 Ca 0.13 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.28 1jhw n PRO 227 Cb 0.44 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.88 1jhw n PRO 227 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jhw s ALA 228 N -2.16 3.08 0.31 0.55 0.00 -1.26 -5.08 121.76 117.21 1jhw s ALA 228 Ca 0.00 0.08 0.11 0.00 0.00 0.00 0.00 51.96 52.15 1jhw s ALA 228 Cb 0.00 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 1jhw s ALA 228 CO 0.00 -0.39 -0.12 -0.51 0.00 0.00 0.00 175.76 174.74 1jhw s LEU 229 N -4.46 2.75 0.68 0.00 1.43 -1.26 -5.04 118.68 112.77 1jhw s LEU 229 Ca 0.57 -1.05 -0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1jhw s LEU 229 Cb -0.10 -1.16 0.09 0.00 0.03 0.00 0.00 46.19 45.04 1jhw s LEU 229 CO 0.39 -0.08 0.95 -1.59 0.23 0.00 0.00 176.35 176.25 1jhw s LYS 230 N -3.59 2.01 -0.05 1.70 0.00 -1.26 -4.84 119.74 113.71 1jhw s LYS 230 Ca 0.32 -0.77 -0.02 0.00 0.00 0.00 0.00 55.97 55.50 1jhw s LYS 230 Cb -0.02 -2.32 -0.01 0.00 0.00 0.00 0.00 37.83 35.49 1jhw s LYS 230 CO 0.17 -1.22 -0.04 0.93 0.00 0.00 0.00 175.35 175.19 1jhw h GLU 231 N -0.42 0.00 0.00 1.78 4.39 -1.95 -0.59 114.58 117.79 1jhw h GLU 231 Ca -0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1jhw h GLU 231 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1jhw h GLU 231 CO 0.48 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.74 1jhw n GLY 232 N 1.81 0.00 3.48 -3.84 0.00 -1.26 -3.99 105.19 101.39 1jhw n GLY 232 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1jhw n GLY 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jhw s ASN 233 N 0.00 4.01 0.00 1.61 4.22 -1.26 -5.17 114.94 118.35 1jhw s ASN 233 Ca 0.00 -0.27 0.00 0.00 -2.14 0.00 0.00 52.86 50.45 1jhw s ASN 233 Cb 0.00 -0.79 0.00 0.00 1.28 0.00 0.00 41.25 41.74 1jhw s ASN 233 CO 0.00 0.30 0.00 -0.81 -2.04 0.00 0.00 177.10 174.55 1jhw n PRO 234 N 1.94 1.07 -3.59 3.55 -0.04 -1.26 -5.26 135.00 131.40 1jhw n PRO 234 Ca -0.16 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.89 1jhw n PRO 234 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.87 1jhw n PRO 234 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jhw s ALA 245 N -2.88 3.30 -0.47 0.55 0.00 -1.26 -5.37 121.76 115.64 1jhw s ALA 245 Ca 0.00 -1.64 0.06 0.00 0.00 0.00 0.00 51.96 50.39 1jhw s ALA 245 Cb 0.00 -2.58 0.23 0.00 0.00 0.00 0.00 23.12 20.78 1jhw s ALA 245 CO 0.00 -1.28 0.77 0.00 0.00 0.00 0.00 175.76 175.25 1jhw n GLN 246 N 5.01 0.72 0.26 0.00 -0.00 -1.26 -5.04 117.38 117.07 1jhw n GLN 246 Ca -0.12 -2.15 0.09 0.00 -0.00 0.00 0.00 57.00 54.82 1jhw n GLN 246 Cb 0.47 -1.42 0.36 0.00 -0.00 0.00 0.00 30.24 29.65 1jhw n GLN 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jhw h ALA 247 N 4.16 1.88 -0.79 2.61 0.00 -1.94 -3.42 119.26 121.77 1jhw h ALA 247 Ca -0.06 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.21 1jhw h ALA 247 Cb 1.00 0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.84 1jhw h ALA 247 CO 0.33 -0.83 0.09 0.00 0.00 0.00 0.00 179.25 178.83 1jhw n ALA 248 N -1.76 -2.84 -3.75 0.00 0.00 -1.26 -4.90 120.51 106.01 1jhw n ALA 248 Ca 0.02 0.47 -0.16 0.00 0.00 0.00 0.00 53.44 53.77 1jhw n ALA 248 Cb 0.82 -1.40 -0.16 0.00 0.00 0.00 0.00 19.45 18.72 1jhw n ALA 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jhw s ALA 249 N 0.18 0.06 -0.26 0.00 0.00 -0.66 -4.47 121.76 116.61 1jhw s ALA 249 Ca 0.72 0.34 -0.13 0.00 0.00 0.00 0.00 51.96 52.90 1jhw s ALA 249 Cb -1.01 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 1jhw s ALA 249 CO 0.46 -0.19 0.26 -1.17 0.00 0.00 0.00 175.76 175.12 1jhw s LEU 250 N 1.30 4.06 0.24 0.00 2.96 0.28 -1.31 118.68 126.21 1jhw s LEU 250 Ca -0.06 0.17 0.09 0.00 -0.22 0.00 0.00 54.13 54.11 1jhw s LEU 250 Cb -0.13 -2.25 -0.05 0.00 0.50 0.00 0.00 46.19 44.26 1jhw s LEU 250 CO -0.03 -0.06 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.47 1jhw s TYR 251 N 1.62 1.95 0.00 5.38 1.51 -1.03 -1.06 117.35 125.73 1jhw s TYR 251 Ca 0.11 -0.49 0.05 0.00 -1.01 0.00 0.00 57.07 55.72 1jhw s TYR 251 Cb -0.15 -0.90 -0.01 0.00 -0.11 0.00 0.00 41.96 40.78 1jhw s TYR 251 CO 0.09 0.49 -0.15 0.21 -1.11 0.00 0.00 175.55 175.08 1jhw s LYS 252 N -3.60 1.16 -0.16 -0.62 2.20 0.11 -1.55 119.74 117.27 1jhw s LYS 252 Ca 0.26 -0.59 0.01 0.00 -0.36 0.00 0.00 55.97 55.29 1jhw s LYS 252 Cb -0.02 -1.13 0.02 0.00 -1.51 0.00 0.00 37.83 35.19 1jhw s LYS 252 CO 0.10 0.31 -0.16 0.08 -0.36 0.00 0.00 175.35 175.32 1jhw s VAL 253 N -0.45 1.73 -0.16 4.02 1.01 0.97 -1.29 120.40 126.23 1jhw s VAL 253 Ca 0.05 -0.74 -0.21 0.00 0.00 0.00 0.00 61.98 61.08 1jhw s VAL 253 Cb -0.06 -1.61 0.05 0.00 0.00 0.00 0.00 36.38 34.77 1jhw s VAL 253 CO -0.00 0.48 0.56 -0.55 0.00 0.00 0.00 175.10 175.59 1jhw s SER 254 N 1.42 -0.56 0.00 3.32 0.15 -1.18 -1.59 113.70 115.26 1jhw s SER 254 Ca 0.05 0.95 0.14 0.00 0.70 0.00 0.00 55.95 57.79 1jhw s SER 254 Cb -0.13 0.96 0.30 0.00 -1.71 0.00 0.00 66.02 65.44 1jhw s SER 254 CO -0.11 -0.30 1.21 -0.90 1.20 0.00 0.00 173.24 174.34 1jhw n ASP 255 N 2.28 2.88 -0.31 5.45 3.85 -1.26 -1.50 116.55 127.95 1jhw n ASP 255 Ca -0.15 -1.87 0.12 0.00 -0.71 0.00 0.00 54.79 52.17 1jhw n ASP 255 Cb 0.56 -0.20 0.23 0.00 -1.35 0.00 0.00 41.12 40.36 1jhw n ASP 255 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1jhw n ALA 256 N 0.80 0.41 0.44 2.12 0.00 -1.26 0.14 120.51 123.16 1jhw n ALA 256 Ca 0.13 0.95 0.00 0.00 0.00 0.00 0.00 53.44 54.52 1jhw n ALA 256 Cb 0.44 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1jhw n ALA 256 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jhw n THR 257 N -5.32 0.13 -0.76 0.00 -2.24 -1.26 -4.63 114.28 100.19 1jhw n THR 257 Ca 0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1jhw n THR 257 Cb 0.64 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1jhw n THR 257 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jhw n GLY 258 N 0.43 0.56 3.16 3.38 0.00 0.37 -4.92 105.19 108.17 1jhw n GLY 258 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1jhw n GLY 258 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jhw s GLN 259 N -0.45 0.38 -0.32 1.61 0.74 -0.97 -5.07 119.66 115.58 1jhw s GLN 259 Ca 0.00 0.20 -0.29 0.00 0.05 0.00 0.00 55.36 55.32 1jhw s GLN 259 Cb 0.00 0.18 0.01 0.00 1.10 0.00 0.00 33.01 34.29 1jhw s GLN 259 CO 0.00 -0.07 1.28 1.41 -0.55 0.00 0.00 175.29 177.37 1jhw s MET 260 N -0.24 3.88 0.18 1.67 -2.45 -1.26 -4.02 119.30 117.06 1jhw s MET 260 Ca -0.04 1.16 0.11 0.00 -1.25 0.00 0.00 55.69 55.67 1jhw s MET 260 Cb -0.03 -3.89 -0.04 0.00 1.25 0.00 0.00 34.83 32.12 1jhw s MET 260 CO 0.01 -1.17 -0.20 -0.80 1.05 0.00 0.00 175.02 173.92 1jhw s ASN 261 N 2.80 3.69 -0.08 1.11 -0.87 -0.56 -1.33 114.94 119.70 1jhw s ASN 261 Ca 0.55 -0.76 0.04 0.00 -1.57 0.00 0.00 52.86 51.12 1jhw s ASN 261 Cb -0.15 -0.40 -0.01 0.00 -0.02 0.00 0.00 41.25 40.66 1jhw s ASN 261 CO 0.24 0.12 -0.20 -0.22 -2.57 0.00 0.00 177.10 174.47 1jhw s LEU 262 N -2.67 2.34 -0.02 0.60 2.96 0.68 -3.11 118.68 119.47 1jhw s LEU 262 Ca 0.22 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 1jhw s LEU 262 Cb -0.08 -1.47 0.02 0.00 0.50 0.00 0.00 46.19 45.16 1jhw s LEU 262 CO 0.11 0.22 -0.00 -0.89 -1.32 0.00 0.00 176.35 174.47 1jhw s THR 263 N 0.00 0.15 -1.23 3.68 2.01 -0.41 -1.18 115.64 118.66 1jhw s THR 263 Ca -0.07 0.07 -0.17 0.00 0.31 0.00 0.00 61.69 61.83 1jhw s THR 263 Cb -0.15 -0.23 0.10 0.00 0.01 0.00 0.00 72.50 72.23 1jhw s THR 263 CO 0.05 0.12 1.60 -0.75 -0.69 0.00 0.00 174.62 174.96 1jhw s LYS 264 N 0.85 3.96 0.59 4.92 2.20 -1.26 0.06 119.74 131.06 1jhw s LYS 264 Ca -0.08 -2.06 0.28 0.00 -0.36 0.00 0.00 55.97 53.75 1jhw s LYS 264 Cb -0.12 -5.37 1.68 0.00 -1.51 0.00 0.00 37.83 32.51 1jhw s LYS 264 CO -0.02 -2.10 2.14 -0.39 -0.36 0.00 0.00 175.35 174.62 1jhw h VAL 265 N 5.45 0.51 -2.14 4.02 -1.51 -1.51 -1.84 116.25 119.23 1jhw h VAL 265 Ca 0.38 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.82 1jhw h VAL 265 Cb 0.89 0.88 -0.18 0.00 -2.13 0.00 0.00 31.29 30.75 1jhw h VAL 265 CO 1.38 0.00 0.26 0.00 -1.23 0.00 0.00 177.57 177.98 1jhw s ALA 266 N -4.66 -1.76 0.00 5.19 0.00 -0.22 -4.48 121.76 115.83 1jhw s ALA 266 Ca -0.05 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1jhw s ALA 266 Cb 0.15 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.36 1jhw s ALA 266 CO 0.56 -0.45 0.17 -0.40 0.00 0.00 0.00 175.76 175.64 1jhw n ASP 267 N 0.59 0.11 -4.96 0.00 5.68 -1.26 -0.56 116.55 116.16 1jhw n ASP 267 Ca -0.17 -1.02 -0.22 0.00 -0.50 0.00 0.00 54.79 52.87 1jhw n ASP 267 Cb 0.59 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.56 1jhw n ASP 267 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1jhw s SER 268 N -0.02 6.09 -0.08 -1.12 0.01 -1.26 -4.76 113.70 112.55 1jhw s SER 268 Ca 0.00 0.23 -0.14 0.00 1.31 0.00 0.00 55.95 57.35 1jhw s SER 268 Cb 0.00 -1.71 -0.11 0.00 0.21 0.00 0.00 66.02 64.42 1jhw s SER 268 CO 0.00 -0.42 0.48 -1.28 0.41 0.00 0.00 173.24 172.44 1jhw h SER 269 N 0.72 -0.12 -0.48 2.44 0.87 -1.83 -3.40 113.55 111.76 1jhw h SER 269 Ca -0.48 -0.28 -0.07 0.00 -1.23 0.00 0.00 61.79 59.72 1jhw h SER 269 Cb 1.24 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 1jhw h SER 269 CO 0.58 0.47 0.21 -2.84 -0.53 0.00 0.00 176.83 174.73 1jhw s PRO 270 N -2.47 1.76 0.16 2.24 0.02 -1.26 -4.66 135.00 130.79 1jhw s PRO 270 Ca -0.08 0.42 -0.31 0.00 0.02 0.00 0.00 61.00 61.06 1jhw s PRO 270 Cb -0.00 -4.81 -0.08 0.00 0.02 0.00 0.00 34.50 29.62 1jhw s PRO 270 CO 0.30 -4.24 1.34 -0.06 -0.33 0.00 0.00 177.00 174.01 1jhw s PHE 271 N 13.99 3.25 -0.09 6.54 2.99 -1.23 -4.24 117.98 139.19 1jhw s PHE 271 Ca 0.89 1.11 -0.30 0.00 0.00 0.00 0.00 56.93 58.64 1jhw s PHE 271 Cb -0.12 -3.64 -0.03 0.00 0.00 0.00 0.00 43.02 39.23 1jhw s PHE 271 CO 0.08 -2.09 1.29 0.00 -0.00 0.00 0.00 175.22 174.49 1jhw s ALA 272 N 0.52 3.58 0.28 5.36 0.00 -1.26 -1.11 121.76 129.13 1jhw s ALA 272 Ca 0.60 0.62 0.02 0.00 0.00 0.00 0.00 51.96 53.20 1jhw s ALA 272 Cb -0.37 -3.58 0.59 0.00 0.00 0.00 0.00 23.12 19.76 1jhw s ALA 272 CO 0.35 -0.98 1.81 1.25 0.00 0.00 0.00 175.76 178.19 1jhw h LEU 273 N 8.93 0.85 -1.03 0.00 5.85 -1.93 -1.19 115.31 126.79 1jhw h LEU 273 Ca -0.32 0.06 0.36 0.00 0.84 0.00 0.00 57.88 58.82 1jhw h LEU 273 Cb 1.14 -0.10 -0.16 0.00 0.37 0.00 0.00 40.66 41.92 1jhw h LEU 273 CO 0.92 0.41 0.58 -0.33 -0.34 0.00 0.00 178.44 179.68 1jhw h GLU 274 N 0.90 0.20 -0.84 1.25 3.07 -2.02 -2.05 114.58 115.08 1jhw h GLU 274 Ca 0.51 -0.01 0.32 0.00 -0.50 0.00 0.00 59.36 59.68 1jhw h GLU 274 Cb 0.60 -0.05 -0.15 0.00 -0.84 0.00 0.00 28.75 28.31 1jhw h GLU 274 CO -0.30 0.13 0.34 1.28 -1.40 0.00 0.00 179.01 179.06 1jhw n LEU 275 N -5.09 0.19 -4.66 1.33 4.77 -0.45 -4.55 117.00 108.53 1jhw n LEU 275 Ca 0.34 1.41 -0.43 0.00 -0.03 0.00 0.00 56.01 57.30 1jhw n LEU 275 Cb 1.11 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1jhw n LEU 275 CO 0.08 -1.54 1.11 -0.76 -1.33 0.00 0.00 177.39 174.95 1jhw s LEU 276 N -9.96 4.20 -0.24 2.23 1.43 -0.77 -5.05 118.68 110.52 1jhw s LEU 276 Ca -0.08 1.77 -0.15 0.00 -1.03 0.00 0.00 54.13 54.63 1jhw s LEU 276 Cb 0.28 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 1jhw s LEU 276 CO 0.66 -0.77 0.39 -0.63 0.23 0.00 0.00 176.35 176.22 1jhw s ILE 277 N 3.48 5.18 -1.49 -0.59 1.09 -1.26 -4.94 121.20 122.67 1jhw s ILE 277 Ca 0.57 0.64 0.05 0.00 -1.10 0.00 0.00 60.65 60.81 1jhw s ILE 277 Cb -0.23 -3.72 0.08 0.00 -1.06 0.00 0.00 42.46 37.54 1jhw s ILE 277 CO 0.17 0.20 0.95 -1.20 -0.10 0.00 0.00 174.94 174.96 1jhw n SER 278 N 4.95 0.00 -0.56 3.58 7.64 -1.26 -2.05 113.62 125.92 1jhw n SER 278 Ca -0.08 0.18 0.08 0.00 1.01 0.00 0.00 58.87 60.06 1jhw n SER 278 Cb 0.51 -0.26 0.05 0.00 -1.01 0.00 0.00 64.21 63.50 1jhw n SER 278 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1jhw n ASP 279 N -1.26 2.11 -3.98 6.43 -0.08 -1.26 -2.25 116.55 116.27 1jhw n ASP 279 Ca 0.02 -1.56 -0.17 0.00 -1.51 0.00 0.00 54.79 51.58 1jhw n ASP 279 Cb 0.03 0.14 -0.09 0.00 2.34 0.00 0.00 41.12 43.54 1jhw n ASP 279 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1jhw s ASP 280 N -1.48 1.22 0.19 1.67 1.01 -0.87 -3.80 116.67 114.60 1jhw s ASP 280 Ca 0.17 -1.53 0.05 0.00 0.71 0.00 0.00 52.55 51.95 1jhw s ASP 280 Cb 0.13 0.39 -0.04 0.00 1.01 0.00 0.00 42.92 44.41 1jhw s ASP 280 CO 0.26 -0.89 0.17 0.00 0.21 0.00 0.00 175.17 174.91 1jhw s PHE 282 N -1.86 1.21 -0.11 0.00 0.40 -0.08 -0.02 117.98 117.52 1jhw s PHE 282 Ca 0.32 -1.00 -0.03 0.00 -0.60 0.00 0.00 56.93 55.62 1jhw s PHE 282 Cb -0.09 -0.69 0.04 0.00 0.51 0.00 0.00 43.02 42.79 1jhw s PHE 282 CO 0.24 -0.19 0.05 0.08 0.70 0.00 0.00 175.22 176.10 1jhw s VAL 283 N -3.63 0.13 -0.66 -0.44 1.01 -0.60 -1.52 120.40 114.70 1jhw s VAL 283 Ca 0.23 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.03 1jhw s VAL 283 Cb 0.06 -0.53 0.12 0.00 0.00 0.00 0.00 36.38 36.03 1jhw s VAL 283 CO 0.04 -0.00 0.75 -0.22 0.00 0.00 0.00 175.10 175.66 1jhw s LEU 284 N 2.06 5.55 -0.14 3.92 2.96 0.65 -2.46 118.68 131.22 1jhw s LEU 284 Ca 0.03 -1.67 -0.29 0.00 -0.22 0.00 0.00 54.13 51.98 1jhw s LEU 284 Cb -0.14 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 1jhw s LEU 284 CO -0.06 -1.04 1.49 -0.62 -1.32 0.00 0.00 176.35 174.80 1jhw s ASP 285 N 3.46 6.70 0.00 3.68 3.68 -0.43 -1.48 116.67 132.28 1jhw s ASP 285 Ca 0.14 1.86 0.00 0.00 2.13 0.00 0.00 52.55 56.68 1jhw s ASP 285 Cb -0.21 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.73 1jhw s ASP 285 CO 0.03 -0.95 0.66 -3.20 0.13 0.00 0.00 175.17 171.84 1jhw n ASN 286 N 7.26 0.00 -0.35 -0.34 4.05 -1.12 -1.65 115.26 123.11 1jhw n ASN 286 Ca 0.16 -1.43 0.23 0.00 0.45 0.00 0.00 54.58 53.99 1jhw n ASN 286 Cb 0.44 -0.09 0.48 0.00 1.23 0.00 0.00 39.78 41.85 1jhw n ASN 286 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 1jhw h GLY 287 N 0.00 1.62 -0.39 8.20 0.00 -1.69 -1.48 103.07 109.33 1jhw h GLY 287 Ca 0.00 -0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.14 1jhw h GLY 287 CO 0.00 -0.27 -0.44 -2.00 0.00 0.00 0.00 176.54 173.82 1jhw h LEU 288 N 0.40 -1.50 -5.78 3.11 5.85 -1.92 -0.89 115.31 114.58 1jhw h LEU 288 Ca 0.67 0.20 -0.73 0.00 0.84 0.00 0.00 57.88 58.86 1jhw h LEU 288 Cb 1.58 0.62 -0.32 0.00 0.37 0.00 0.00 40.66 42.91 1jhw h LEU 288 CO -0.43 -0.30 0.43 0.00 -0.34 0.00 0.00 178.44 177.80 1jhw n GLY 290 N -0.17 1.12 3.77 0.00 0.00 -0.34 -5.04 105.19 104.53 1jhw n GLY 290 Ca 0.42 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 1jhw n GLY 290 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jhw s LYS 291 N 0.00 2.60 -0.18 1.61 0.00 -1.25 -3.61 119.74 118.91 1jhw s LYS 291 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 55.97 54.65 1jhw s LYS 291 Cb 0.00 -2.36 0.04 0.00 0.00 0.00 0.00 37.83 35.51 1jhw s LYS 291 CO 0.00 0.23 -0.09 0.42 0.00 0.00 0.00 175.35 175.90 1jhw s ILE 292 N -2.30 1.48 0.28 3.79 1.01 0.13 -2.21 121.20 123.38 1jhw s ILE 292 Ca 0.36 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 60.15 1jhw s ILE 292 Cb -0.06 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1jhw s ILE 292 CO 0.24 0.20 0.50 -0.31 0.00 0.00 0.00 174.94 175.57 1jhw s TYR 293 N 1.48 3.49 -0.24 3.97 1.51 -0.55 -2.12 117.35 124.88 1jhw s TYR 293 Ca 0.00 0.46 -0.02 0.00 -1.01 0.00 0.00 57.07 56.51 1jhw s TYR 293 Cb -0.15 -1.97 0.08 0.00 -0.11 0.00 0.00 41.96 39.81 1jhw s TYR 293 CO -0.08 0.22 0.06 0.42 -1.11 0.00 0.00 175.55 175.05 1jhw s ILE 294 N -2.08 0.68 -0.18 2.71 1.01 -0.88 -0.25 121.20 122.21 1jhw s ILE 294 Ca 0.41 -0.91 -0.16 0.00 0.00 0.00 0.00 60.65 59.99 1jhw s ILE 294 Cb -0.10 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1jhw s ILE 294 CO 0.31 -0.40 0.40 0.86 0.00 0.00 0.00 174.94 176.12 1jhw s TRP 295 N 1.76 3.41 -0.20 3.97 -0.00 -0.58 -0.80 118.94 126.51 1jhw s TRP 295 Ca 0.03 0.67 -0.03 0.00 -0.00 0.00 0.00 56.10 56.77 1jhw s TRP 295 Cb -0.17 -2.50 -0.01 0.00 -0.00 0.00 0.00 33.47 30.79 1jhw s TRP 295 CO -0.16 0.06 -0.07 -1.59 -0.00 0.00 0.00 176.95 175.20 1jhw s LYS 296 N 1.05 3.37 0.53 5.86 -2.85 -0.85 -0.91 119.74 125.94 1jhw s LYS 296 Ca 0.20 -0.64 -0.14 0.00 -1.00 0.00 0.00 55.97 54.39 1jhw s LYS 296 Cb -0.14 -2.91 -0.06 0.00 -2.06 0.00 0.00 37.83 32.65 1jhw s LYS 296 CO 0.08 -0.10 0.96 0.20 0.10 0.00 0.00 175.35 176.58 1jhw s GLY 297 N 1.21 1.91 0.28 0.59 0.00 -1.17 -0.79 107.32 109.36 1jhw s GLY 297 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.77 1jhw s GLY 297 CO -0.02 0.28 1.84 3.21 0.00 0.00 0.00 173.10 178.41 1jhw h ARG 298 N 0.59 0.96 -0.01 2.90 3.08 -1.91 -2.06 114.38 117.94 1jhw h ARG 298 Ca -0.46 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1jhw h ARG 298 Cb 1.19 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1jhw h ARG 298 CO 0.62 0.64 -0.25 1.63 -1.07 0.00 0.00 179.97 181.54 1jhw n LYS 299 N -4.62 0.96 -1.99 0.04 5.02 -0.95 -4.91 118.16 111.70 1jhw n LYS 299 Ca 0.18 -0.59 -0.40 0.00 -2.02 0.00 0.00 58.31 55.48 1jhw n LYS 299 Cb 0.33 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.85 1jhw n LYS 299 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jhw s ALA 300 N -2.45 3.42 0.80 7.82 0.00 -0.78 -4.82 121.76 125.76 1jhw s ALA 300 Ca 0.25 1.35 -0.00 0.00 0.00 0.00 0.00 51.96 53.56 1jhw s ALA 300 Cb 0.19 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1jhw s ALA 300 CO 0.50 -0.84 0.02 0.27 0.00 0.00 0.00 175.76 175.71 1jhw n ASN 301 N 0.43 0.01 0.04 0.00 6.94 -1.26 -4.90 115.26 116.51 1jhw n ASN 301 Ca 0.02 -1.01 -0.15 0.00 -0.02 0.00 0.00 54.58 53.41 1jhw n ASN 301 Cb 0.42 -0.02 -0.14 0.00 -2.36 0.00 0.00 39.78 37.68 1jhw n ASN 301 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1jhw h GLU 302 N 0.00 0.18 -0.76 -3.83 4.57 -1.98 -2.83 114.58 109.92 1jhw h GLU 302 Ca -0.01 -0.31 0.13 0.00 -1.18 0.00 0.00 59.36 58.00 1jhw h GLU 302 Cb 0.02 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.67 1jhw h GLU 302 CO 0.01 0.98 0.51 0.87 -1.18 0.00 0.00 179.01 180.20 1jhw h LYS 303 N 0.05 0.51 -0.49 1.92 1.79 -1.97 2.85 116.57 121.23 1jhw h LYS 303 Ca -0.26 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.08 1jhw h LYS 303 Cb 2.00 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 32.52 1jhw h LYS 303 CO 0.13 0.34 -0.08 0.93 -1.08 0.00 0.00 179.45 179.69 1jhw h GLU 304 N 0.52 0.91 0.23 3.15 5.08 -1.92 0.44 114.58 122.99 1jhw h GLU 304 Ca 0.37 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1jhw h GLU 304 Cb 0.71 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1jhw h GLU 304 CO -0.13 0.98 -0.11 0.00 -1.00 0.00 0.00 179.01 178.75 1jhw h ARG 305 N 0.77 -0.29 -0.20 2.33 3.08 0.37 0.25 114.38 120.68 1jhw h ARG 305 Ca 0.13 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.25 1jhw h ARG 305 Cb 0.62 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.66 1jhw h ARG 305 CO 0.04 0.07 -0.44 0.37 -1.07 0.00 0.00 179.97 178.94 1jhw h GLN 306 N -0.73 -0.44 -0.74 0.04 4.15 0.48 -2.56 115.11 115.30 1jhw h GLN 306 Ca -0.03 0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.36 1jhw h GLN 306 Cb 0.49 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.25 1jhw h GLN 306 CO 0.05 -0.30 0.25 0.00 -1.93 0.00 0.00 178.83 176.91 1jhw h ALA 307 N 0.14 1.04 -0.11 3.38 0.00 -0.13 -2.88 119.26 120.71 1jhw h ALA 307 Ca 0.09 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1jhw h ALA 307 Cb 0.62 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1jhw h ALA 307 CO -0.45 0.66 0.08 0.00 0.00 0.00 0.00 179.25 179.54 1jhw h ALA 308 N 1.17 2.08 -0.17 0.00 0.00 -0.10 -1.16 119.26 121.08 1jhw h ALA 308 Ca 0.24 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1jhw h ALA 308 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1jhw h ALA 308 CO -0.01 -0.11 -0.38 -0.07 0.00 0.00 0.00 179.25 178.68 1jhw h LEU 309 N 0.02 0.63 -2.11 0.00 3.38 -1.30 -2.70 115.31 113.23 1jhw h LEU 309 Ca 0.05 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 1jhw h LEU 309 Cb 0.18 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jhw h LEU 309 CO -0.00 1.07 -0.08 1.56 0.09 0.00 0.00 178.44 181.08 1jhw h GLN 310 N 0.21 0.00 0.00 1.13 4.20 -1.09 -1.52 115.11 118.04 1jhw h GLN 310 Ca 0.00 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 1jhw h GLN 310 Cb 0.98 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.72 1jhw h GLN 310 CO 0.08 0.08 -1.27 0.28 -0.67 0.00 0.00 178.83 177.33 1jhw h VAL 311 N 0.00 1.39 -0.64 -0.54 2.07 -1.24 -2.94 116.25 114.35 1jhw h VAL 311 Ca -0.00 -3.15 -0.02 0.00 0.82 0.00 0.00 66.70 64.35 1jhw h VAL 311 Cb 0.23 2.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 1jhw h VAL 311 CO 0.01 0.79 0.33 0.00 0.02 0.00 0.00 177.57 178.72 1jhw h ALA 312 N 1.00 1.37 0.58 1.67 0.00 -0.94 -1.10 119.26 121.84 1jhw h ALA 312 Ca -0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1jhw h ALA 312 Cb 1.86 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1jhw h ALA 312 CO 0.11 0.50 -0.31 0.93 0.00 0.00 0.00 179.25 180.48 1jhw h GLU 313 N 0.90 -0.79 -0.70 0.00 4.39 -1.43 -2.49 114.58 114.46 1jhw h GLU 313 Ca 0.23 0.05 0.20 0.00 0.34 0.00 0.00 59.36 60.18 1jhw h GLU 313 Cb 0.06 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1jhw h GLU 313 CO -0.03 -0.53 0.62 0.78 -1.16 0.00 0.00 179.01 178.69 1jhw h GLY 314 N -0.82 0.00 0.61 -3.84 0.00 -1.38 0.20 103.07 97.85 1jhw h GLY 314 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 1jhw h GLY 314 CO 0.11 0.00 -0.18 0.74 0.00 0.00 0.00 176.54 177.21 1jhw h PHE 315 N 0.00 0.31 -0.34 5.60 -1.00 -0.83 -0.45 116.94 120.23 1jhw h PHE 315 Ca 0.33 -0.12 -0.16 0.00 2.81 0.00 0.00 57.97 60.83 1jhw h PHE 315 Cb 1.57 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 41.07 1jhw h PHE 315 CO 0.00 0.79 -0.43 0.82 -1.61 0.00 0.00 178.31 177.88 1jhw h ILE 316 N -0.25 1.28 0.92 -0.55 2.04 -0.71 -2.61 117.51 117.62 1jhw h ILE 316 Ca -0.00 -1.61 -0.04 0.00 1.00 0.00 0.00 64.86 64.21 1jhw h ILE 316 Cb 0.79 1.46 0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1jhw h ILE 316 CO 0.04 0.53 -0.44 -1.28 0.00 0.00 0.00 178.15 177.00 1jhw h SER 317 N 0.70 -1.04 -0.55 1.72 0.87 -0.72 0.38 113.55 114.91 1jhw h SER 317 Ca 0.05 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 1jhw h SER 317 Cb 1.01 0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 63.22 1jhw h SER 317 CO 0.10 -0.73 0.12 -0.09 -0.53 0.00 0.00 176.83 175.70 1jhw h ARG 318 N -1.26 0.89 -0.05 2.24 2.43 -1.18 -2.52 114.38 114.93 1jhw h ARG 318 Ca -0.13 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1jhw h ARG 318 Cb 0.94 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1jhw h ARG 318 CO 0.21 0.84 0.00 -1.33 -1.51 0.00 0.00 179.97 178.17 1jhw n MET 319 N -4.40 1.27 -3.84 0.20 2.81 -0.98 -4.92 117.12 107.26 1jhw n MET 319 Ca 0.02 -0.40 -0.29 0.00 -1.81 0.00 0.00 57.70 55.22 1jhw n MET 319 Cb 0.24 -1.37 0.01 0.00 -0.71 0.00 0.00 33.22 31.39 1jhw n MET 319 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1jhw n GLN 320 N -0.41 -2.27 -1.59 0.03 6.02 -0.43 -4.92 117.38 113.80 1jhw n GLN 320 Ca 0.17 0.41 -0.31 0.00 -0.01 0.00 0.00 57.00 57.25 1jhw n GLN 320 Cb 0.17 -4.24 0.05 0.00 1.02 0.00 0.00 30.24 27.25 1jhw n GLN 320 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1jhw s TYR 321 N -3.72 2.91 0.34 1.08 4.12 0.12 -4.94 117.35 117.26 1jhw s TYR 321 Ca 0.23 1.48 -0.24 0.00 0.02 0.00 0.00 57.07 58.57 1jhw s TYR 321 Cb -0.09 -2.97 -0.16 0.00 -1.52 0.00 0.00 41.96 37.23 1jhw s TYR 321 CO 0.88 -1.40 0.31 0.00 0.02 0.00 0.00 175.55 175.36 1jhw n ALA 322 N -2.97 -2.67 -0.12 3.71 0.00 -1.26 -4.85 120.51 112.35 1jhw n ALA 322 Ca 0.08 0.23 -0.09 0.00 0.00 0.00 0.00 53.44 53.66 1jhw n ALA 322 Cb 0.53 -1.57 -0.01 0.00 0.00 0.00 0.00 19.45 18.39 1jhw n ALA 322 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1jhw h PRO 323 N 0.64 0.53 -0.72 0.00 0.14 -1.97 -3.11 132.00 127.49 1jhw h PRO 323 Ca -0.35 -0.09 0.00 0.00 0.14 0.00 0.00 66.00 65.70 1jhw h PRO 323 Cb 1.43 -0.09 0.00 0.00 0.14 0.00 0.00 31.00 32.49 1jhw h PRO 323 CO 0.51 0.50 0.00 0.27 0.14 0.00 0.00 178.00 179.42 1jhw n ASN 324 N -4.70 0.72 -4.74 1.44 0.23 -1.26 -4.90 115.26 102.05 1jhw n ASN 324 Ca -0.01 -1.68 -0.41 0.00 -0.53 0.00 0.00 54.58 51.94 1jhw n ASN 324 Cb 0.13 -0.36 -0.02 0.00 -2.08 0.00 0.00 39.78 37.44 1jhw n ASN 324 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1jhw s THR 325 N -1.14 2.67 -0.08 5.53 2.01 -1.18 -4.98 115.64 118.47 1jhw s THR 325 Ca 0.00 0.56 -0.11 0.00 0.31 0.00 0.00 61.69 62.45 1jhw s THR 325 Cb 0.00 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 1jhw s THR 325 CO 0.00 0.09 0.25 -1.10 -0.69 0.00 0.00 174.62 173.17 1jhw s GLN 326 N -0.33 3.73 -0.92 4.92 -0.21 -1.24 -4.94 119.66 120.66 1jhw s GLN 326 Ca 0.60 0.09 -0.02 0.00 0.02 0.00 0.00 55.36 56.04 1jhw s GLN 326 Cb -0.42 -3.23 0.23 0.00 1.00 0.00 0.00 33.01 30.59 1jhw s GLN 326 CO 0.43 0.67 0.82 0.54 -2.12 0.00 0.00 175.29 175.64 1jhw s VAL 327 N -0.84 4.55 -0.36 1.09 0.11 -1.25 0.20 120.40 123.90 1jhw s VAL 327 Ca 0.18 -3.84 -0.29 0.00 -2.93 0.00 0.00 61.98 55.10 1jhw s VAL 327 Cb -0.14 -3.81 0.01 0.00 -1.53 0.00 0.00 36.38 30.91 1jhw s VAL 327 CO 0.07 -1.10 1.33 -0.70 -3.33 0.00 0.00 175.10 171.37 1jhw s GLU 328 N -1.37 3.76 -0.07 1.54 2.12 -0.90 -4.84 118.70 118.95 1jhw s GLU 328 Ca 0.28 1.06 -0.30 0.00 0.36 0.00 0.00 54.97 56.37 1jhw s GLU 328 Cb -0.07 -3.94 -0.03 0.00 0.26 0.00 0.00 34.13 30.35 1jhw s GLU 328 CO -0.12 -1.32 1.15 0.42 -0.54 0.00 0.00 175.26 174.85 1jhw s ILE 329 N 4.79 4.38 -0.16 -3.70 1.01 -1.26 -2.07 121.20 124.19 1jhw s ILE 329 Ca 0.57 1.69 0.02 0.00 0.00 0.00 0.00 60.65 62.93 1jhw s ILE 329 Cb -0.15 -4.09 0.02 0.00 0.01 0.00 0.00 42.46 38.25 1jhw s ILE 329 CO 0.28 -0.00 -0.21 -0.76 0.00 0.00 0.00 174.94 174.25 1jhw s LEU 330 N 2.17 2.11 0.49 2.97 1.43 0.02 -4.92 118.68 122.96 1jhw s LEU 330 Ca 0.54 -0.63 -0.09 0.00 -1.03 0.00 0.00 54.13 52.92 1jhw s LEU 330 Cb -0.23 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1jhw s LEU 330 CO 0.21 0.03 0.85 -2.16 0.23 0.00 0.00 176.35 175.51 1jhw s PRO 331 N 1.11 3.67 0.34 1.29 0.04 -1.25 -2.01 135.00 138.19 1jhw s PRO 331 Ca 0.00 0.48 -0.29 0.00 0.04 0.00 0.00 61.00 61.24 1jhw s PRO 331 Cb -0.14 -2.29 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 1jhw s PRO 331 CO -0.09 -0.24 1.35 -1.14 0.04 0.00 0.00 177.00 176.93 1jhw s GLN 332 N -4.50 4.29 0.00 4.56 0.74 0.03 -2.17 119.66 122.61 1jhw s GLN 332 Ca 0.51 2.30 0.00 0.00 0.05 0.00 0.00 55.36 58.23 1jhw s GLN 332 Cb -0.10 -3.05 0.00 0.00 1.10 0.00 0.00 33.01 30.96 1jhw s GLN 332 CO 0.41 -0.28 0.00 0.41 -0.55 0.00 0.00 175.29 175.29 1jhw n GLY 333 N 0.78 2.54 2.74 2.59 0.00 -1.26 -4.80 105.19 107.79 1jhw n GLY 333 Ca 0.01 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 1jhw n GLY 333 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jhw n ARG 334 N 0.00 3.82 -3.43 1.61 1.74 -0.92 -4.99 116.66 114.49 1jhw n ARG 334 Ca 0.00 -3.81 -0.37 0.00 -0.77 0.00 0.00 57.85 52.90 1jhw n ARG 334 Cb 0.00 -2.36 -0.06 0.00 -1.02 0.00 0.00 32.46 29.03 1jhw n ARG 334 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1jhw s GLU 335 N -3.71 3.98 0.22 5.56 8.01 -1.22 -3.92 118.70 127.61 1jhw s GLU 335 Ca 0.48 0.47 -0.30 0.00 0.01 0.00 0.00 54.97 55.64 1jhw s GLU 335 Cb 0.33 -3.16 -0.09 0.00 -4.31 0.00 0.00 34.13 26.90 1jhw s GLU 335 CO -0.27 0.63 1.14 -1.54 0.01 0.00 0.00 175.26 175.23 1jhw s SER 336 N -1.26 7.19 0.51 -0.19 1.04 -1.26 -4.93 113.70 114.81 1jhw s SER 336 Ca 0.28 2.22 0.11 0.00 0.48 0.00 0.00 55.95 59.04 1jhw s SER 336 Cb -0.17 -2.61 0.58 0.00 0.10 0.00 0.00 66.02 63.91 1jhw s SER 336 CO 0.16 -0.25 1.25 -0.65 0.98 0.00 0.00 173.24 174.72 1jhw h PRO 337 N 4.64 0.00 0.02 4.02 0.11 -1.97 0.16 132.00 138.97 1jhw h PRO 337 Ca -0.45 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.52 1jhw h PRO 337 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1jhw h PRO 337 CO 0.71 0.00 -0.74 0.97 -0.21 0.00 0.00 178.00 178.73 1jhw h ILE 338 N 0.00 1.31 -1.23 4.15 6.09 -2.05 -3.32 117.51 122.46 1jhw h ILE 338 Ca 0.00 -2.28 0.37 0.00 -1.37 0.00 0.00 64.86 61.58 1jhw h ILE 338 Cb 1.23 2.79 -0.11 0.00 0.47 0.00 0.00 36.82 41.20 1jhw h ILE 338 CO 0.00 0.49 0.80 0.15 -3.07 0.00 0.00 178.15 176.52 1jhw h PHE 339 N -0.91 0.51 -0.69 2.19 3.57 -1.07 -3.09 116.94 117.45 1jhw h PHE 339 Ca -0.19 0.02 -0.47 0.00 3.53 0.00 0.00 57.97 60.86 1jhw h PHE 339 Cb 1.23 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.78 1jhw h PHE 339 CO 0.18 -0.08 1.46 0.15 -2.23 0.00 0.00 178.31 177.79 1jhw s LYS 340 N -5.32 3.12 -0.37 1.11 1.02 -1.12 -4.41 119.74 113.76 1jhw s LYS 340 Ca -0.08 -1.34 0.12 0.00 0.02 0.00 0.00 55.97 54.69 1jhw s LYS 340 Cb 0.27 -5.33 0.44 0.00 -0.52 0.00 0.00 37.83 32.69 1jhw s LYS 340 CO 0.81 -3.16 1.05 0.00 -0.92 0.00 0.00 175.35 173.13 1jhw n GLN 341 N 8.45 2.36 -4.32 1.68 10.64 -1.17 -4.88 117.38 130.14 1jhw n GLN 341 Ca 0.45 -3.89 -0.27 0.00 -1.83 0.00 0.00 57.00 51.45 1jhw n GLN 341 Cb 0.47 -1.78 -0.10 0.00 -0.86 0.00 0.00 30.24 27.96 1jhw n GLN 341 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1jhw s PHE 342 N -3.38 2.54 0.00 2.61 0.40 -1.26 -3.47 117.98 115.42 1jhw s PHE 342 Ca 0.38 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.45 1jhw s PHE 342 Cb 0.42 -1.27 0.00 0.00 0.51 0.00 0.00 43.02 42.69 1jhw s PHE 342 CO -0.07 0.48 0.35 0.34 0.70 0.00 0.00 175.22 177.03 1jhw n PHE 343 N 0.24 0.00 -2.93 0.36 7.35 -0.27 -4.31 117.46 117.91 1jhw n PHE 343 Ca -0.12 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.16 1jhw n PHE 343 Cb 0.55 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.34 1jhw n PHE 343 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1jhw s LYS 344 N -0.71 4.47 -0.40 -4.13 3.01 -1.26 -4.85 119.74 115.87 1jhw s LYS 344 Ca 0.00 1.06 -0.37 0.00 -1.01 0.00 0.00 55.97 55.65 1jhw s LYS 344 Cb 0.00 -3.46 -0.16 0.00 -1.01 0.00 0.00 37.83 33.20 1jhw s LYS 344 CO 0.00 -0.00 1.29 -0.40 0.51 0.00 0.00 175.35 176.75 1jhw n ASP 345 N 3.92 0.94 0.00 2.83 5.68 -1.26 -4.98 116.55 123.68 1jhw n ASP 345 Ca 0.02 0.93 0.15 0.00 -0.50 0.00 0.00 54.79 55.38 1jhw n ASP 345 Cb 0.51 -0.70 0.91 0.00 -1.14 0.00 0.00 41.12 40.70 1jhw n ASP 345 CO 0.00 0.00 0.00 1.87 -1.33 0.00 0.00 177.20 177.74