#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrz n SER 13 N 3.54 2.13 -1.83 0.00 2.88 -1.24 -4.90 113.62 114.20 3hrz n SER 13 Ca -0.17 1.03 -0.15 0.00 -1.33 0.00 0.00 58.87 58.25 3hrz n SER 13 Cb 0.52 -1.48 0.14 0.00 -0.75 0.00 0.00 64.21 62.65 3hrz n SER 13 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3hrz n LEU 14 N -0.13 5.51 -4.59 2.46 4.77 -1.26 -4.84 117.00 118.92 3hrz n LEU 14 Ca 0.09 -2.91 -0.43 0.00 -0.03 0.00 0.00 56.01 52.73 3hrz n LEU 14 Cb 0.42 -0.73 -0.02 0.00 -2.33 0.00 0.00 43.42 40.75 3hrz n LEU 14 CO 0.56 0.85 0.99 -1.61 -1.33 0.00 0.00 177.39 176.85 3hrz s GLU 15 N -2.31 3.67 0.00 3.23 2.02 -1.26 -3.68 118.70 120.37 3hrz s GLU 15 Ca 0.40 0.47 0.00 0.00 0.02 0.00 0.00 54.97 55.86 3hrz s GLU 15 Cb 0.33 -3.92 0.00 0.00 0.10 0.00 0.00 34.13 30.64 3hrz s GLU 15 CO 0.08 -1.39 0.00 0.41 0.02 0.00 0.00 175.26 174.38 3hrz n GLY 16 N 4.89 0.45 0.10 -1.39 0.00 -1.26 -4.95 105.19 103.03 3hrz n GLY 16 Ca 0.11 -0.95 -0.02 0.00 0.00 0.00 0.00 46.02 45.16 3hrz n GLY 16 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3hrz h VAL 17 N 0.00 0.93 -2.39 1.61 -1.51 -1.92 -3.48 116.25 109.49 3hrz h VAL 17 Ca 0.00 -2.48 -0.59 0.00 -1.23 0.00 0.00 66.70 62.40 3hrz h VAL 17 Cb 0.00 2.39 0.17 0.00 -2.13 0.00 0.00 31.29 31.73 3hrz h VAL 17 CO 0.00 0.53 -0.79 -1.84 -1.23 0.00 0.00 177.57 174.24 3hrz n GLU 18 N -3.12 0.24 -4.57 5.19 0.00 -1.26 -4.88 120.64 112.23 3hrz n GLU 18 Ca -0.05 0.09 -0.33 0.00 0.00 0.00 0.00 57.16 56.87 3hrz n GLU 18 Cb 0.86 -1.31 -0.14 0.00 0.00 0.00 0.00 31.44 30.85 3hrz n GLU 18 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 3hrz s ILE 19 N -1.84 3.32 -0.17 3.84 2.07 -1.26 -4.61 121.20 122.55 3hrz s ILE 19 Ca 0.62 -0.56 -0.29 0.00 -1.41 0.00 0.00 60.65 59.02 3hrz s ILE 19 Cb -0.49 -2.43 -0.06 0.00 0.13 0.00 0.00 42.46 39.62 3hrz s ILE 19 CO 0.61 0.51 2.10 -0.75 -1.91 0.00 0.00 174.94 175.49 3hrz s LYS 20 N 0.47 3.41 0.00 3.50 2.20 -0.99 -2.32 119.74 126.01 3hrz s LYS 20 Ca -0.07 2.10 0.00 0.00 -0.36 0.00 0.00 55.97 57.64 3hrz s LYS 20 Cb -0.15 -4.30 0.00 0.00 -1.51 0.00 0.00 37.83 31.87 3hrz s LYS 20 CO 0.04 -1.79 0.00 0.41 -0.36 0.00 0.00 175.35 173.65 3hrz n GLY 21 N 5.40 0.76 0.00 5.54 0.00 -1.26 -0.72 105.19 114.91 3hrz n GLY 21 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3hrz n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrz n GLY 22 N -1.57 5.32 3.41 -0.02 0.00 -0.98 -4.65 105.19 106.70 3hrz n GLY 22 Ca 0.00 -1.33 -0.23 0.00 0.00 0.00 0.00 46.02 44.45 3hrz n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hrz s SER 23 N 1.00 2.36 0.06 1.61 1.04 -0.35 -4.61 113.70 114.82 3hrz s SER 23 Ca 0.00 -1.76 0.01 0.00 0.48 0.00 0.00 55.95 54.68 3hrz s SER 23 Cb 0.00 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 3hrz s SER 23 CO 0.00 -1.04 -0.06 0.72 0.98 0.00 0.00 173.24 173.84 3hrz s PHE 24 N -3.28 0.69 -0.04 5.02 -0.71 -1.26 -0.06 117.98 118.34 3hrz s PHE 24 Ca 0.31 -0.76 -0.01 0.00 -1.04 0.00 0.00 56.93 55.43 3hrz s PHE 24 Cb 0.02 -0.42 0.03 0.00 -1.21 0.00 0.00 43.02 41.43 3hrz s PHE 24 CO 0.22 -0.17 0.03 -0.98 -1.34 0.00 0.00 175.22 172.98 3hrz s ARG 25 N -2.84 0.19 0.33 1.99 1.70 0.38 -4.95 118.95 115.75 3hrz s ARG 25 Ca 0.01 0.21 -0.27 0.00 -0.47 0.00 0.00 55.73 55.21 3hrz s ARG 25 Cb -0.01 -0.58 -0.09 0.00 -0.57 0.00 0.00 34.95 33.70 3hrz s ARG 25 CO -0.03 -0.25 1.08 -0.51 -1.08 0.00 0.00 175.30 174.51 3hrz s LEU 26 N 1.68 4.39 0.31 -1.89 1.43 -1.26 -1.56 118.68 121.78 3hrz s LEU 26 Ca -0.01 2.19 0.03 0.00 -1.03 0.00 0.00 54.13 55.31 3hrz s LEU 26 Cb -0.13 -3.84 -0.05 0.00 0.03 0.00 0.00 46.19 42.20 3hrz s LEU 26 CO -0.03 -0.29 0.10 -0.76 0.23 0.00 0.00 176.35 175.59 3hrz s LEU 27 N -1.92 1.87 -1.08 1.79 1.43 0.30 -4.77 118.68 116.30 3hrz s LEU 27 Ca 0.50 -1.45 -0.07 0.00 -1.03 0.00 0.00 54.13 52.08 3hrz s LEU 27 Cb -0.28 -0.10 0.06 0.00 0.03 0.00 0.00 46.19 45.90 3hrz s LEU 27 CO 0.36 -0.74 0.33 0.00 0.23 0.00 0.00 176.35 176.53 3hrz n GLN 28 N -0.62 -2.87 -1.04 1.70 6.02 -1.26 -1.11 117.38 118.20 3hrz n GLN 28 Ca -0.01 0.38 -0.01 0.00 -0.01 0.00 0.00 57.00 57.35 3hrz n GLN 28 Cb 0.66 -5.02 -0.01 0.00 1.02 0.00 0.00 30.24 26.89 3hrz n GLN 28 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3hrz n GLU 29 N -3.38 -0.87 0.00 -1.09 1.02 -1.26 -3.54 120.64 111.51 3hrz n GLU 29 Ca -0.02 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 3hrz n GLU 29 Cb 0.54 -4.02 0.00 0.00 -0.02 0.00 0.00 31.44 27.94 3hrz n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hrz n GLY 30 N -1.27 1.07 1.44 0.62 0.00 -0.27 -5.00 105.19 101.78 3hrz n GLY 30 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 3hrz n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hrz n GLN 31 N 0.00 3.58 -3.64 1.61 1.13 -1.19 -4.42 117.38 114.45 3hrz n GLN 31 Ca 0.00 -2.81 -0.06 0.00 -1.94 0.00 0.00 57.00 52.19 3hrz n GLN 31 Cb 0.00 -1.83 -0.07 0.00 0.11 0.00 0.00 30.24 28.45 3hrz n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hrz s ALA 32 N -1.84 -2.13 0.04 -1.58 0.00 -1.23 -2.20 121.76 112.82 3hrz s ALA 32 Ca 0.48 1.85 0.06 0.00 0.00 0.00 0.00 51.96 54.34 3hrz s ALA 32 Cb 0.31 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 3hrz s ALA 32 CO 0.23 -0.20 -0.16 -0.48 0.00 0.00 0.00 175.76 175.14 3hrz s LEU 33 N 0.32 2.18 -0.11 0.00 0.05 -0.17 -0.54 118.68 120.40 3hrz s LEU 33 Ca 0.03 -0.49 0.02 0.00 0.05 0.00 0.00 54.13 53.74 3hrz s LEU 33 Cb -0.05 -0.72 -0.01 0.00 -2.05 0.00 0.00 46.19 43.36 3hrz s LEU 33 CO -0.11 0.07 -0.18 -0.70 -0.55 0.00 0.00 176.35 174.88 3hrz s GLU 34 N -1.20 3.17 0.08 1.48 2.12 -0.60 -0.84 118.70 122.92 3hrz s GLU 34 Ca 0.03 -0.78 -0.20 0.00 0.36 0.00 0.00 54.97 54.39 3hrz s GLU 34 Cb -0.08 -2.46 -0.07 0.00 0.26 0.00 0.00 34.13 31.78 3hrz s GLU 34 CO 0.02 0.22 0.60 0.71 -0.54 0.00 0.00 175.26 176.27 3hrz s TYR 35 N 0.28 3.82 -0.18 5.30 2.02 -0.06 -0.47 117.35 128.06 3hrz s TYR 35 Ca -0.13 1.33 0.01 0.00 -0.37 0.00 0.00 57.07 57.90 3hrz s TYR 35 Cb -0.16 -2.55 0.01 0.00 -0.40 0.00 0.00 41.96 38.86 3hrz s TYR 35 CO 0.07 0.57 -0.18 0.08 -1.57 0.00 0.00 175.55 174.51 3hrz s VAL 36 N -1.07 2.26 0.13 0.71 1.01 0.92 -4.90 120.40 119.47 3hrz s VAL 36 Ca 0.30 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.49 3hrz s VAL 36 Cb -0.20 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3hrz s VAL 36 CO 0.20 0.52 -0.17 0.00 0.00 0.00 0.00 175.10 175.66 3hrz s PRO 38 N -2.29 2.18 0.29 0.00 0.02 -1.26 -4.83 135.00 129.10 3hrz s PRO 38 Ca 0.19 1.94 -0.29 0.00 0.02 0.00 0.00 61.00 62.86 3hrz s PRO 38 Cb -0.10 -1.82 -0.13 0.00 0.02 0.00 0.00 34.50 32.47 3hrz s PRO 38 CO 0.11 -1.85 1.23 0.45 -0.33 0.00 0.00 177.00 176.61 3hrz n SER 39 N -2.47 2.22 0.00 2.53 2.88 -1.26 -1.04 113.62 116.48 3hrz n SER 39 Ca 0.15 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.87 3hrz n SER 39 Cb 0.49 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 3hrz n SER 39 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hrz n GLY 40 N 1.35 1.18 3.51 0.46 0.00 -1.26 -5.04 105.19 105.39 3hrz n GLY 40 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 3hrz n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hrz s PHE 41 N -2.62 2.17 0.04 1.61 0.08 -0.20 -1.17 117.98 117.89 3hrz s PHE 41 Ca 0.00 -0.79 -0.17 0.00 0.12 0.00 0.00 56.93 56.10 3hrz s PHE 41 Cb 0.00 -1.42 0.03 0.00 -0.57 0.00 0.00 43.02 41.07 3hrz s PHE 41 CO 0.00 0.24 0.38 1.52 -0.10 0.00 0.00 175.22 177.26 3hrz s TYR 42 N -3.01 -0.22 -0.14 0.36 1.13 -0.25 -4.71 117.35 110.50 3hrz s TYR 42 Ca 0.34 0.17 -0.29 0.00 -1.41 0.00 0.00 57.07 55.88 3hrz s TYR 42 Cb 0.08 0.18 -0.01 0.00 -1.10 0.00 0.00 41.96 41.11 3hrz s TYR 42 CO 0.16 -0.54 1.00 -2.14 -2.51 0.00 0.00 175.55 171.52 3hrz s PRO 43 N -2.40 4.37 -0.12 -3.49 0.02 -1.26 -0.50 135.00 131.62 3hrz s PRO 43 Ca -0.06 1.36 -0.02 0.00 0.02 0.00 0.00 61.00 62.30 3hrz s PRO 43 Cb -0.01 -3.57 -0.03 0.00 0.02 0.00 0.00 34.50 30.91 3hrz s PRO 43 CO -0.02 -0.40 -0.04 -0.47 -0.33 0.00 0.00 177.00 175.74 3hrz s TYR 44 N 2.33 3.02 -0.57 6.54 5.04 0.27 -3.44 117.35 130.54 3hrz s TYR 44 Ca 0.47 -0.13 0.23 0.00 -2.44 0.00 0.00 57.07 55.20 3hrz s TYR 44 Cb -0.17 -1.85 0.13 0.00 0.35 0.00 0.00 41.96 40.42 3hrz s TYR 44 CO 0.14 0.15 1.11 -0.35 -1.34 0.00 0.00 175.55 175.27 3hrz n PRO 45 N 2.92 0.33 -4.25 4.97 -0.05 -1.26 -1.19 135.00 136.46 3hrz n PRO 45 Ca -0.18 0.03 -0.14 0.00 -0.05 0.00 0.00 63.50 63.16 3hrz n PRO 45 Cb 0.53 -1.64 -0.10 0.00 -0.05 0.00 0.00 33.50 32.23 3hrz n PRO 45 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 3hrz s VAL 46 N -3.21 1.12 -0.09 0.52 -7.23 -1.22 -4.91 120.40 105.37 3hrz s VAL 46 Ca 0.04 -2.05 0.10 0.00 -1.81 0.00 0.00 61.98 58.26 3hrz s VAL 46 Cb 0.14 -1.90 -0.24 0.00 0.56 0.00 0.00 36.38 34.94 3hrz s VAL 46 CO 0.78 -0.70 0.47 1.67 -0.31 0.00 0.00 175.10 177.01 3hrz n GLN 47 N -0.22 0.66 -4.50 4.82 7.27 -1.26 -4.71 117.38 119.45 3hrz n GLN 47 Ca -0.10 0.23 -0.21 0.00 0.07 0.00 0.00 57.00 57.00 3hrz n GLN 47 Cb 0.61 -1.72 -0.15 0.00 2.41 0.00 0.00 30.24 31.39 3hrz n GLN 47 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 3hrz s THR 48 N -2.57 0.99 0.21 1.69 -4.23 -1.26 -0.88 115.64 109.59 3hrz s THR 48 Ca -0.10 -0.63 0.11 0.00 -1.18 0.00 0.00 61.69 59.90 3hrz s THR 48 Cb 0.07 -0.84 -0.05 0.00 1.34 0.00 0.00 72.50 73.03 3hrz s THR 48 CO 0.81 0.21 -0.22 -0.13 -0.54 0.00 0.00 174.62 174.74 3hrz s ARG 49 N -0.48 1.58 0.14 3.99 0.52 -0.02 -4.95 118.95 119.73 3hrz s ARG 49 Ca 0.04 -1.57 0.10 0.00 -0.52 0.00 0.00 55.73 53.78 3hrz s ARG 49 Cb -0.05 -1.84 -0.04 0.00 0.52 0.00 0.00 34.95 33.53 3hrz s ARG 49 CO -0.00 0.39 -0.21 0.95 0.02 0.00 0.00 175.30 176.44 3hrz s THR 50 N -1.86 2.58 -0.27 0.02 -4.23 -1.26 -1.00 115.64 109.62 3hrz s THR 50 Ca 0.23 -1.71 -0.29 0.00 -1.18 0.00 0.00 61.69 58.74 3hrz s THR 50 Cb -0.07 -2.19 0.01 0.00 1.34 0.00 0.00 72.50 71.59 3hrz s THR 50 CO 0.11 0.04 1.07 0.00 -0.54 0.00 0.00 174.62 175.30 3hrz s ARG 52 N 3.43 2.77 0.45 0.00 1.81 -0.36 -4.94 118.95 122.11 3hrz s ARG 52 Ca 0.45 0.40 0.10 0.00 -1.72 0.00 0.00 55.73 54.96 3hrz s ARG 52 Cb -0.14 -2.03 1.00 0.00 -0.45 0.00 0.00 34.95 33.33 3hrz s ARG 52 CO 0.11 -1.07 2.08 0.66 -0.68 0.00 0.00 175.30 176.40 3hrz h SER 53 N -0.67 0.29 0.00 0.23 4.64 -1.96 -2.48 113.55 113.60 3hrz h SER 53 Ca -0.45 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3hrz h SER 53 Cb 1.26 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3hrz h SER 53 CO 0.64 0.23 0.00 0.35 -0.87 0.00 0.00 176.83 177.17 3hrz n THR 54 N -4.48 0.00 -1.21 2.95 -2.24 -1.26 -4.80 114.28 103.24 3hrz n THR 54 Ca 0.01 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.72 3hrz n THR 54 Cb 0.08 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.03 3hrz n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hrz n GLY 55 N 0.40 0.90 3.43 3.38 0.00 -0.93 -5.01 105.19 107.35 3hrz n GLY 55 Ca 0.06 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 3hrz n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hrz s SER 56 N -2.66 3.70 0.30 1.61 0.01 -1.26 -3.73 113.70 111.67 3hrz s SER 56 Ca 0.00 -0.32 -0.29 0.00 1.31 0.00 0.00 55.95 56.64 3hrz s SER 56 Cb 0.00 -0.65 -0.10 0.00 0.21 0.00 0.00 66.02 65.48 3hrz s SER 56 CO 0.00 0.32 1.22 0.26 0.41 0.00 0.00 173.24 175.45 3hrz s TRP 57 N -0.74 3.29 0.10 2.43 0.52 -1.26 -1.22 118.94 122.05 3hrz s TRP 57 Ca 0.12 1.52 -0.35 0.00 0.02 0.00 0.00 56.10 57.41 3hrz s TRP 57 Cb -0.10 -3.51 -0.18 0.00 -1.15 0.00 0.00 33.47 28.53 3hrz s TRP 57 CO 0.01 -1.31 1.00 -1.13 0.02 0.00 0.00 176.95 175.55 3hrz n SER 58 N 1.13 0.28 -4.76 2.95 3.41 0.26 -4.88 113.62 112.01 3hrz n SER 58 Ca 0.00 1.14 -0.35 0.00 -0.26 0.00 0.00 58.87 59.40 3hrz n SER 58 Cb 0.43 -1.04 0.02 0.00 -0.26 0.00 0.00 64.21 63.36 3hrz n SER 58 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3hrz s THR 59 N -0.23 2.87 -0.31 6.66 -4.23 -1.26 -4.77 115.64 114.37 3hrz s THR 59 Ca 0.79 0.54 -0.29 0.00 -1.18 0.00 0.00 61.69 61.55 3hrz s THR 59 Cb -1.04 -3.21 0.01 0.00 1.34 0.00 0.00 72.50 69.60 3hrz s THR 59 CO 0.54 -0.12 1.19 -0.76 -0.54 0.00 0.00 174.62 174.93 3hrz s LEU 60 N -3.99 3.91 -0.10 4.79 1.43 -1.26 -5.01 118.68 118.45 3hrz s LEU 60 Ca 0.75 1.13 0.04 0.00 -1.03 0.00 0.00 54.13 55.02 3hrz s LEU 60 Cb -0.27 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.40 3hrz s LEU 60 CO 0.31 -0.98 -0.24 -0.54 0.23 0.00 0.00 176.35 175.13 3hrz s LYS 61 N 3.90 3.06 1.07 1.70 -0.14 -1.26 -0.19 119.74 127.88 3hrz s LYS 61 Ca 0.51 -0.87 -0.16 0.00 -1.36 0.00 0.00 55.97 54.08 3hrz s LYS 61 Cb -0.14 -2.31 0.23 0.00 -1.68 0.00 0.00 37.83 33.92 3hrz s LYS 61 CO 0.19 0.18 1.15 0.95 -0.76 0.00 0.00 175.35 177.07 3hrz s THR 62 N 0.35 1.82 0.26 2.17 -4.23 -0.42 -4.72 115.64 110.87 3hrz s THR 62 Ca -0.19 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.29 3hrz s THR 62 Cb -0.18 -2.64 0.19 0.00 1.34 0.00 0.00 72.50 71.21 3hrz s THR 62 CO 0.09 0.00 1.85 -0.61 -0.54 0.00 0.00 174.62 175.41 3hrz h GLN 63 N -2.09 1.05 0.00 3.99 5.75 -1.89 -0.11 115.11 121.80 3hrz h GLN 63 Ca -0.47 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 57.87 3hrz h GLN 63 Cb 1.30 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.66 3hrz h GLN 63 CO 0.44 0.82 0.00 -0.25 -2.65 0.00 0.00 178.83 177.19 3hrz n ASP 64 N -4.32 0.00 -2.07 -0.69 8.00 -1.26 -4.79 116.55 111.42 3hrz n ASP 64 Ca 0.07 -0.42 -0.18 0.00 0.71 0.00 0.00 54.79 54.97 3hrz n ASP 64 Cb 0.15 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.25 3hrz n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hrz n GLN 65 N -0.88 -1.85 -3.37 -1.24 6.02 -0.06 -4.99 117.38 111.01 3hrz n GLN 65 Ca 0.06 0.83 -0.38 0.00 -0.01 0.00 0.00 57.00 57.50 3hrz n GLN 65 Cb 0.03 -5.30 -0.06 0.00 1.02 0.00 0.00 30.24 25.92 3hrz n GLN 65 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3hrz s LYS 66 N -4.97 4.29 0.26 -1.09 1.02 -1.25 -4.83 119.74 113.16 3hrz s LYS 66 Ca 0.04 0.33 -0.30 0.00 0.02 0.00 0.00 55.97 56.07 3hrz s LYS 66 Cb -0.02 -3.45 -0.10 0.00 -0.52 0.00 0.00 37.83 33.74 3hrz s LYS 66 CO 0.05 0.13 1.43 0.99 -0.92 0.00 0.00 175.35 177.03 3hrz s THR 67 N 0.74 2.65 -0.08 2.17 2.01 -1.26 -1.30 115.64 120.57 3hrz s THR 67 Ca 0.23 0.56 0.02 0.00 0.31 0.00 0.00 61.69 62.81 3hrz s THR 67 Cb -0.15 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 68.99 3hrz s THR 67 CO 0.08 0.09 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.26 3hrz s VAL 68 N -0.12 2.88 0.02 3.82 1.01 0.74 -4.91 120.40 123.83 3hrz s VAL 68 Ca 0.58 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3hrz s VAL 68 Cb -0.42 -2.15 -0.25 0.00 0.00 0.00 0.00 36.38 33.56 3hrz s VAL 68 CO 0.44 0.56 0.91 0.03 0.00 0.00 0.00 175.10 177.05 3hrz h ARG 69 N 6.03 0.12 -4.49 2.72 3.08 -1.96 -3.37 114.38 116.51 3hrz h ARG 69 Ca -0.35 -0.20 -0.48 0.00 0.07 0.00 0.00 59.98 59.01 3hrz h ARG 69 Cb 1.18 0.08 -0.33 0.00 0.08 0.00 0.00 29.97 30.98 3hrz h ARG 69 CO 0.52 0.93 -0.80 0.21 -1.07 0.00 0.00 179.97 179.75 3hrz s LYS 70 N -2.64 1.43 0.14 0.04 2.47 -1.26 -5.03 119.74 114.90 3hrz s LYS 70 Ca -0.05 -0.35 -0.30 0.00 -1.56 0.00 0.00 55.97 53.71 3hrz s LYS 70 Cb 0.08 -1.23 -0.07 0.00 -1.46 0.00 0.00 37.83 35.15 3hrz s LYS 70 CO 0.84 0.03 0.96 0.00 0.16 0.00 0.00 175.35 177.34 3hrz s ALA 71 N 0.61 3.27 -0.04 3.13 0.00 -1.26 -4.74 121.76 122.74 3hrz s ALA 71 Ca -0.12 0.60 -0.12 0.00 0.00 0.00 0.00 51.96 52.32 3hrz s ALA 71 Cb -0.14 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.73 3hrz s ALA 71 CO 0.03 0.02 0.27 -1.83 0.00 0.00 0.00 175.76 174.24 3hrz s GLU 72 N -0.28 0.54 -0.23 0.00 -1.05 -0.33 -2.35 118.70 114.99 3hrz s GLU 72 Ca 0.46 -0.07 -0.29 0.00 -0.15 0.00 0.00 54.97 54.92 3hrz s GLU 72 Cb -0.24 0.24 -0.01 0.00 -0.44 0.00 0.00 34.13 33.68 3hrz s GLU 72 CO 0.31 -0.13 1.33 0.00 0.95 0.00 0.00 175.26 177.71 3hrz s ARG 74 N 3.94 2.14 0.28 0.00 0.52 0.35 -4.87 118.95 121.31 3hrz s ARG 74 Ca 0.58 -1.25 -0.29 0.00 -0.52 0.00 0.00 55.73 54.24 3hrz s ARG 74 Cb -0.20 -2.20 -0.10 0.00 0.52 0.00 0.00 34.95 32.98 3hrz s ARG 74 CO 0.20 0.43 1.31 0.00 0.02 0.00 0.00 175.30 177.26 3hrz s ALA 75 N -1.76 3.51 0.04 2.13 0.00 -1.26 -1.09 121.76 123.33 3hrz s ALA 75 Ca 0.26 1.20 -0.30 0.00 0.00 0.00 0.00 51.96 53.11 3hrz s ALA 75 Cb -0.09 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.50 3hrz s ALA 75 CO 0.16 -0.58 1.26 0.42 0.00 0.00 0.00 175.76 177.02 3hrz s ILE 76 N -0.67 3.90 0.02 0.00 1.01 -0.31 -4.86 121.20 120.28 3hrz s ILE 76 Ca 0.52 1.33 0.05 0.00 0.00 0.00 0.00 60.65 62.55 3hrz s ILE 76 Cb -0.38 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 3hrz s ILE 76 CO 0.47 0.07 -0.14 -1.00 0.00 0.00 0.00 174.94 174.33 3hrz s HIS 77 N 1.50 1.27 0.25 3.97 3.76 -1.26 -4.04 115.29 120.75 3hrz s HIS 77 Ca 0.60 -0.30 -0.16 0.00 -0.15 0.00 0.00 55.06 55.05 3hrz s HIS 77 Cb -0.30 -0.78 -0.08 0.00 1.11 0.00 0.00 32.58 32.52 3hrz s HIS 77 CO 0.28 0.01 0.69 0.00 -0.85 0.00 0.00 174.74 174.87 3hrz n PRO 79 N 0.20 1.84 -2.32 0.00 -0.02 -1.26 -4.06 135.00 129.38 3hrz n PRO 79 Ca -0.00 0.65 -0.40 0.00 -2.02 0.00 0.00 63.50 61.73 3hrz n PRO 79 Cb 0.52 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 3hrz n PRO 79 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3hrz s ARG 80 N -0.39 4.48 0.32 -0.52 3.52 -1.26 -4.66 118.95 120.44 3hrz s ARG 80 Ca 0.69 1.97 -0.29 0.00 -0.13 0.00 0.00 55.73 57.97 3hrz s ARG 80 Cb -0.70 -3.10 -0.12 0.00 -1.56 0.00 0.00 34.95 29.48 3hrz s ARG 80 CO 0.50 0.01 1.54 -2.30 -0.81 0.00 0.00 175.30 174.24 3hrz n PRO 81 N 0.95 2.63 0.00 5.12 -0.02 -1.26 -3.24 135.00 139.18 3hrz n PRO 81 Ca -0.00 0.93 0.08 0.00 -2.02 0.00 0.00 63.50 62.49 3hrz n PRO 81 Cb 0.44 -2.68 -0.09 0.00 -0.02 0.00 0.00 33.50 31.15 3hrz n PRO 81 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3hrz n HIS 82 N 1.51 0.00 0.00 6.00 8.25 -1.26 -4.89 115.22 124.83 3hrz n HIS 82 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3hrz n HIS 82 Cb 0.37 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 3hrz n HIS 82 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3hrz n ASP 83 N -1.28 0.00 -3.56 0.41 2.03 -1.26 -4.99 116.55 107.91 3hrz n ASP 83 Ca 0.04 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.23 3hrz n ASP 83 Cb 0.28 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.57 3hrz n ASP 83 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3hrz s PHE 84 N -2.00 -0.59 0.32 -0.67 5.36 -1.26 -4.94 117.98 114.21 3hrz s PHE 84 Ca 0.00 0.94 -0.20 0.00 -0.96 0.00 0.00 56.93 56.71 3hrz s PHE 84 Cb 0.00 0.00 -0.09 0.00 -0.34 0.00 0.00 43.02 42.59 3hrz s PHE 84 CO 0.00 -0.52 0.84 -1.21 -1.46 0.00 0.00 175.22 172.87 3hrz s GLU 85 N 2.48 4.27 -1.32 10.12 2.02 -1.26 -4.21 118.70 130.80 3hrz s GLU 85 Ca 0.04 0.99 -0.06 0.00 0.02 0.00 0.00 54.97 55.96 3hrz s GLU 85 Cb -0.13 -2.58 0.04 0.00 0.10 0.00 0.00 34.13 31.56 3hrz s GLU 85 CO -0.12 0.20 0.42 0.09 0.02 0.00 0.00 175.26 175.87 3hrz n ASN 86 N 0.08 -4.40 -3.41 -0.19 3.02 -1.26 -4.36 115.26 104.74 3hrz n ASN 86 Ca 0.02 -0.25 -0.02 0.00 -0.03 0.00 0.00 54.58 54.31 3hrz n ASN 86 Cb 0.52 -3.63 0.02 0.00 -0.61 0.00 0.00 39.78 36.08 3hrz n ASN 86 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hrz n GLY 87 N -1.19 0.53 3.36 7.41 0.00 -1.26 -1.10 105.19 112.93 3hrz n GLY 87 Ca -0.07 -1.14 -0.20 0.00 0.00 0.00 0.00 46.02 44.61 3hrz n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hrz s GLU 88 N -2.05 1.35 0.10 1.61 0.41 0.93 -4.87 118.70 116.19 3hrz s GLU 88 Ca 0.24 -1.55 0.03 0.00 -0.41 0.00 0.00 54.97 53.28 3hrz s GLU 88 Cb -0.03 -1.27 -0.04 0.00 -1.78 0.00 0.00 34.13 31.02 3hrz s GLU 88 CO 0.05 0.23 -0.08 1.52 -0.49 0.00 0.00 175.26 176.48 3hrz s TYR 89 N -2.62 1.00 -0.05 1.61 1.13 -1.26 -0.85 117.35 116.32 3hrz s TYR 89 Ca 0.21 -0.78 -0.02 0.00 -1.41 0.00 0.00 57.07 55.07 3hrz s TYR 89 Cb -0.03 -0.55 0.03 0.00 -1.10 0.00 0.00 41.96 40.31 3hrz s TYR 89 CO 0.08 -0.05 0.11 -0.46 -2.51 0.00 0.00 175.55 172.71 3hrz s TRP 90 N -3.09 -0.10 0.61 -3.49 -0.00 -0.34 -4.49 118.94 108.05 3hrz s TRP 90 Ca 0.10 0.36 0.02 0.00 -0.00 0.00 0.00 56.10 56.57 3hrz s TRP 90 Cb 0.01 -0.11 0.08 0.00 -0.00 0.00 0.00 33.47 33.45 3hrz s TRP 90 CO -0.02 -0.13 0.85 -1.25 -0.00 0.00 0.00 176.95 176.40 3hrz s PRO 91 N 0.98 2.18 -0.26 5.86 0.05 -1.26 -0.97 135.00 141.58 3hrz s PRO 91 Ca -0.08 -1.05 -0.07 0.00 0.05 0.00 0.00 61.00 59.85 3hrz s PRO 91 Cb -0.10 -2.46 -0.02 0.00 0.05 0.00 0.00 34.50 31.97 3hrz s PRO 91 CO -0.04 -1.00 0.07 1.03 0.05 0.00 0.00 177.00 177.11 3hrz s ARG 92 N -4.88 3.52 0.18 4.56 0.52 -1.26 -4.95 118.95 116.64 3hrz s ARG 92 Ca 0.61 -0.57 0.05 0.00 -0.52 0.00 0.00 55.73 55.30 3hrz s ARG 92 Cb -0.08 -3.33 -0.05 0.00 0.52 0.00 0.00 34.95 32.01 3hrz s ARG 92 CO 0.41 -0.25 -0.08 -1.12 0.02 0.00 0.00 175.30 174.27 3hrz s SER 93 N 1.59 1.92 0.20 0.23 0.01 -1.26 -5.04 113.70 111.35 3hrz s SER 93 Ca 0.06 -1.07 -0.09 0.00 1.31 0.00 0.00 55.95 56.16 3hrz s SER 93 Cb -0.16 -0.02 0.14 0.00 0.21 0.00 0.00 66.02 66.19 3hrz s SER 93 CO 0.03 -0.36 1.78 -0.65 0.41 0.00 0.00 173.24 174.45 3hrz h PRO 94 N 2.67 1.11 -3.12 12.44 0.11 -2.02 -3.45 132.00 139.73 3hrz h PRO 94 Ca -0.37 -0.19 -0.06 0.00 0.11 0.00 0.00 66.00 65.49 3hrz h PRO 94 Cb 1.20 -0.19 -0.15 0.00 0.11 0.00 0.00 31.00 31.97 3hrz h PRO 94 CO 0.64 0.89 -0.07 1.52 -0.21 0.00 0.00 178.00 180.77 3hrz s TYR 95 N -5.61 -0.27 -0.18 0.65 1.13 -1.26 -4.86 117.35 106.95 3hrz s TYR 95 Ca -0.13 0.14 -0.03 0.00 -1.41 0.00 0.00 57.07 55.65 3hrz s TYR 95 Cb 0.15 0.26 -0.02 0.00 -1.10 0.00 0.00 41.96 41.25 3hrz s TYR 95 CO 0.82 -0.63 -0.06 0.71 -2.51 0.00 0.00 175.55 173.88 3hrz s TYR 96 N -2.96 2.95 0.36 -3.49 2.02 -1.26 -5.05 117.35 109.92 3hrz s TYR 96 Ca -0.02 -0.63 -0.06 0.00 -0.37 0.00 0.00 57.07 55.98 3hrz s TYR 96 Cb 0.00 -2.00 -0.05 0.00 -0.40 0.00 0.00 41.96 39.51 3hrz s TYR 96 CO -0.06 -0.29 0.66 -0.80 -1.57 0.00 0.00 175.55 173.49 3hrz s ASN 97 N 0.83 6.43 0.25 2.29 0.01 -1.26 -1.98 114.94 121.52 3hrz s ASN 97 Ca -0.02 0.86 -0.30 0.00 -0.71 0.00 0.00 52.86 52.69 3hrz s ASN 97 Cb -0.15 -2.21 -0.14 0.00 0.41 0.00 0.00 41.25 39.17 3hrz s ASN 97 CO 0.01 -0.32 1.28 0.52 -1.51 0.00 0.00 177.10 177.08 3hrz n VAL 98 N -1.30 1.29 -0.68 1.60 0.31 -1.26 -0.59 118.33 117.69 3hrz n VAL 98 Ca -0.00 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 3hrz n VAL 98 Cb 0.54 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 3hrz n VAL 98 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3hrz n SER 99 N 1.74 0.00 -4.77 4.52 3.41 0.27 -4.97 113.62 113.81 3hrz n SER 99 Ca 0.11 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.34 3hrz n SER 99 Cb 0.31 -0.25 -0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3hrz n SER 99 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3hrz s ASP 100 N -3.13 6.10 0.04 4.04 1.01 0.24 -4.70 116.67 120.28 3hrz s ASP 100 Ca 0.00 2.39 0.07 0.00 0.71 0.00 0.00 52.55 55.73 3hrz s ASP 100 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 3hrz s ASP 100 CO 0.00 -0.97 -0.19 -0.70 0.21 0.00 0.00 175.17 173.52 3hrz s GLU 101 N -2.65 2.02 0.00 8.23 2.12 -1.26 0.14 118.70 127.31 3hrz s GLU 101 Ca 0.63 -1.01 0.03 0.00 0.36 0.00 0.00 54.97 54.98 3hrz s GLU 101 Cb -0.31 -2.16 -0.01 0.00 0.26 0.00 0.00 34.13 31.91 3hrz s GLU 101 CO 0.38 0.53 -0.08 -1.50 -0.54 0.00 0.00 175.26 174.05 3hrz s ILE 102 N -0.92 0.64 0.05 -3.70 2.07 0.19 -4.45 121.20 115.08 3hrz s ILE 102 Ca 0.14 -0.45 0.04 0.00 -1.41 0.00 0.00 60.65 58.98 3hrz s ILE 102 Cb -0.10 -0.56 -0.03 0.00 0.13 0.00 0.00 42.46 41.90 3hrz s ILE 102 CO 0.05 0.11 -0.13 -0.94 -1.91 0.00 0.00 174.94 172.12 3hrz s SER 103 N -0.39 1.47 0.12 4.50 1.04 -0.14 -0.27 113.70 120.03 3hrz s SER 103 Ca 0.02 -0.54 0.09 0.00 0.48 0.00 0.00 55.95 56.00 3hrz s SER 103 Cb -0.04 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 3hrz s SER 103 CO -0.00 -0.06 -0.17 -0.36 0.98 0.00 0.00 173.24 173.62 3hrz s PHE 104 N -1.13 2.55 -0.09 5.02 0.08 0.49 -1.19 117.98 123.71 3hrz s PHE 104 Ca -0.02 -0.26 -0.04 0.00 0.12 0.00 0.00 56.93 56.73 3hrz s PHE 104 Cb -0.09 -1.35 0.05 0.00 -0.57 0.00 0.00 43.02 41.06 3hrz s PHE 104 CO 0.02 0.39 0.21 -1.01 -0.10 0.00 0.00 175.22 174.73 3hrz s HIS 105 N -1.17 -0.27 0.40 0.36 3.76 -0.02 -4.87 115.29 113.46 3hrz s HIS 105 Ca 0.18 0.69 -0.19 0.00 -0.15 0.00 0.00 55.06 55.59 3hrz s HIS 105 Cb -0.10 -0.03 -0.10 0.00 1.11 0.00 0.00 32.58 33.45 3hrz s HIS 105 CO 0.10 -0.23 0.89 0.00 -0.85 0.00 0.00 174.74 174.66 3hrz s TYR 107 N -2.12 1.72 0.17 0.00 2.02 -0.26 -4.86 117.35 114.02 3hrz s TYR 107 Ca 0.60 1.74 -0.34 0.00 -0.37 0.00 0.00 57.07 58.70 3hrz s TYR 107 Cb -0.09 -3.30 -0.14 0.00 -0.40 0.00 0.00 41.96 38.02 3hrz s TYR 107 CO 0.14 -2.73 1.45 -0.25 -1.57 0.00 0.00 175.55 172.59 3hrz n ASP 108 N -4.18 2.57 0.00 2.29 8.00 -1.26 -2.51 116.55 121.45 3hrz n ASP 108 Ca 0.11 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.72 3hrz n ASP 108 Cb 0.52 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 3hrz n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hrz n GLY 109 N 2.78 0.67 3.33 0.44 0.00 -1.26 -5.06 105.19 106.09 3hrz n GLY 109 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 3hrz n GLY 109 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hrz s TYR 110 N -2.47 2.02 -0.06 1.61 2.02 -1.05 -4.62 117.35 114.80 3hrz s TYR 110 Ca 0.00 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.34 3hrz s TYR 110 Cb 0.00 -1.10 -0.02 0.00 -0.40 0.00 0.00 41.96 40.44 3hrz s TYR 110 CO 0.00 0.27 -0.19 0.99 -1.57 0.00 0.00 175.55 175.05 3hrz s THR 111 N -1.14 2.65 -0.07 -0.71 2.01 0.43 -4.77 115.64 114.05 3hrz s THR 111 Ca 0.10 -0.86 -0.24 0.00 0.31 0.00 0.00 61.69 61.00 3hrz s THR 111 Cb -0.10 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 3hrz s THR 111 CO 0.05 0.57 0.74 -0.22 -0.69 0.00 0.00 174.62 175.08 3hrz s LEU 112 N -0.40 4.31 0.15 4.42 2.96 -1.26 -1.38 118.68 127.48 3hrz s LEU 112 Ca 0.04 1.23 0.11 0.00 -0.22 0.00 0.00 54.13 55.29 3hrz s LEU 112 Cb -0.12 -3.15 -0.04 0.00 0.50 0.00 0.00 46.19 43.38 3hrz s LEU 112 CO 0.02 -0.16 -0.26 -0.13 -1.32 0.00 0.00 176.35 174.50 3hrz s ARG 113 N 0.96 1.43 0.93 1.98 0.52 0.36 -4.97 118.95 120.17 3hrz s ARG 113 Ca 0.39 -1.41 0.00 0.00 -0.52 0.00 0.00 55.73 54.19 3hrz s ARG 113 Cb -0.18 -1.85 0.00 0.00 0.52 0.00 0.00 34.95 33.44 3hrz s ARG 113 CO 0.19 0.42 0.00 0.41 0.02 0.00 0.00 175.30 176.34 3hrz n GLY 114 N 0.66 -1.74 3.59 -3.53 0.00 -1.25 -0.15 105.19 102.77 3hrz n GLY 114 Ca -0.16 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 3hrz n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hrz s SER 115 N -4.00 6.54 0.27 1.61 0.01 -0.10 -4.87 113.70 113.16 3hrz s SER 115 Ca 0.00 0.42 -0.02 0.00 1.31 0.00 0.00 55.95 57.66 3hrz s SER 115 Cb 0.00 -2.36 0.35 0.00 0.21 0.00 0.00 66.02 64.22 3hrz s SER 115 CO 0.00 -0.58 1.79 0.00 0.41 0.00 0.00 173.24 174.86 3hrz h ALA 116 N 8.27 1.15 -3.21 1.44 0.00 -1.89 -3.39 119.26 121.63 3hrz h ALA 116 Ca -0.26 -0.23 -0.66 0.00 0.00 0.00 0.00 54.91 53.75 3hrz h ALA 116 Cb 1.11 -0.21 -0.30 0.00 0.00 0.00 0.00 17.79 18.39 3hrz h ALA 116 CO 0.85 0.56 -0.80 -0.80 0.00 0.00 0.00 179.25 179.06 3hrz s ASN 117 N -6.60 3.67 0.01 0.00 0.01 -1.26 -0.38 114.94 110.39 3hrz s ASN 117 Ca -0.10 -0.46 0.05 0.00 -0.71 0.00 0.00 52.86 51.64 3hrz s ASN 117 Cb 0.15 -1.56 -0.02 0.00 0.41 0.00 0.00 41.25 40.23 3hrz s ASN 117 CO 0.81 0.09 -0.16 -0.13 -1.51 0.00 0.00 177.10 176.21 3hrz s ARG 118 N 0.76 1.16 -0.05 -0.60 0.52 0.63 -4.89 118.95 116.48 3hrz s ARG 118 Ca -0.06 -0.66 0.04 0.00 -0.52 0.00 0.00 55.73 54.53 3hrz s ARG 118 Cb -0.15 -1.16 -0.02 0.00 0.52 0.00 0.00 34.95 34.13 3hrz s ARG 118 CO 0.01 0.31 -0.17 0.99 0.02 0.00 0.00 175.30 176.45 3hrz s THR 119 N -0.56 2.78 -0.22 0.02 2.01 -1.26 -0.64 115.64 117.77 3hrz s THR 119 Ca 0.05 -0.82 -0.29 0.00 0.31 0.00 0.00 61.69 60.94 3hrz s THR 119 Cb -0.07 -2.07 0.00 0.00 0.01 0.00 0.00 72.50 70.37 3hrz s THR 119 CO 0.00 0.58 1.09 0.00 -0.69 0.00 0.00 174.62 175.60 3hrz s GLN 121 N 3.28 3.36 0.07 0.00 -0.21 0.14 0.94 119.66 127.23 3hrz s GLN 121 Ca 0.46 -0.80 0.13 0.00 0.02 0.00 0.00 55.36 55.18 3hrz s GLN 121 Cb -0.16 -2.86 0.58 0.00 1.00 0.00 0.00 33.01 31.57 3hrz s GLN 121 CO 0.08 0.31 1.41 1.55 -2.12 0.00 0.00 175.29 176.53 3hrz n VAL 122 N -1.50 1.21 -0.25 1.09 3.14 -1.26 -1.10 118.33 119.66 3hrz n VAL 122 Ca -0.06 0.34 0.06 0.00 -2.96 0.00 0.00 64.34 61.72 3hrz n VAL 122 Cb 0.57 -1.21 0.29 0.00 -1.06 0.00 0.00 33.84 32.43 3hrz n VAL 122 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 3hrz n ASN 123 N -1.69 4.16 -0.17 6.55 6.94 -1.26 -4.87 115.26 124.92 3hrz n ASN 123 Ca 0.02 -2.55 -0.02 0.00 -0.02 0.00 0.00 54.58 52.01 3hrz n ASN 123 Cb 0.13 -0.58 -0.01 0.00 -2.36 0.00 0.00 39.78 36.96 3hrz n ASN 123 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hrz n GLY 124 N 0.63 0.50 3.59 4.83 0.00 -0.26 -3.48 105.19 111.00 3hrz n GLY 124 Ca 0.20 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3hrz n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hrz s ARG 125 N -1.27 2.15 0.16 1.61 1.81 -1.24 -4.32 118.95 117.85 3hrz s ARG 125 Ca 0.00 -1.07 -0.24 0.00 -1.72 0.00 0.00 55.73 52.70 3hrz s ARG 125 Cb 0.00 -2.29 -0.08 0.00 -0.45 0.00 0.00 34.95 32.13 3hrz s ARG 125 CO 0.00 0.49 0.75 -1.58 -0.68 0.00 0.00 175.30 174.28 3hrz s TRP 126 N -1.35 3.86 0.87 -0.53 0.52 -1.26 -0.69 118.94 120.36 3hrz s TRP 126 Ca 0.23 1.57 -0.11 0.00 0.02 0.00 0.00 56.10 57.80 3hrz s TRP 126 Cb -0.11 -2.72 0.11 0.00 -1.15 0.00 0.00 33.47 29.61 3hrz s TRP 126 CO 0.15 0.50 1.09 -1.54 0.02 0.00 0.00 176.95 177.17 3hrz s SER 127 N -1.21 3.71 0.27 2.95 1.04 -0.00 -4.89 113.70 115.57 3hrz s SER 127 Ca 0.36 1.56 0.00 0.00 0.48 0.00 0.00 55.95 58.35 3hrz s SER 127 Cb -0.22 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.66 3hrz s SER 127 CO 0.25 -2.50 0.00 0.61 0.98 0.00 0.00 173.24 172.58 3hrz n GLY 128 N -1.16 -0.51 3.37 7.32 0.00 -1.26 -4.46 105.19 108.49 3hrz n GLY 128 Ca 0.07 -1.10 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 3hrz n GLY 128 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hrz s GLN 129 N 0.00 1.36 0.09 1.61 1.11 -1.26 -4.97 119.66 117.60 3hrz s GLN 129 Ca 0.00 -1.38 -0.36 0.00 0.01 0.00 0.00 55.36 53.63 3hrz s GLN 129 Cb 0.00 -1.69 -0.16 0.00 -1.01 0.00 0.00 33.01 30.15 3hrz s GLN 129 CO 0.00 0.38 1.42 2.41 0.01 0.00 0.00 175.29 179.51 3hrz n THR 130 N 0.65 0.02 -2.76 -0.19 -1.04 -1.26 -0.92 114.28 108.78 3hrz n THR 130 Ca -0.16 -0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.43 3hrz n THR 130 Cb 0.55 -1.02 -0.03 0.00 -1.82 0.00 0.00 70.33 68.00 3hrz n THR 130 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hrz s ALA 131 N 0.73 3.34 -0.05 2.41 0.00 -1.26 -3.96 121.76 122.97 3hrz s ALA 131 Ca 0.84 0.35 0.02 0.00 0.00 0.00 0.00 51.96 53.17 3hrz s ALA 131 Cb -0.89 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 18.91 3hrz s ALA 131 CO 0.45 -0.45 -0.11 0.42 0.00 0.00 0.00 175.76 176.07 3hrz s ILE 132 N 1.62 1.03 -0.32 0.00 1.01 0.78 -4.64 121.20 120.69 3hrz s ILE 132 Ca 0.47 -0.44 -0.12 0.00 0.00 0.00 0.00 60.65 60.56 3hrz s ILE 132 Cb -0.19 -0.94 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 3hrz s ILE 132 CO 0.20 0.33 0.20 0.00 0.00 0.00 0.00 174.94 175.67 3hrz s ASP 134 N 1.71 1.27 0.00 0.00 -1.08 -0.48 -4.76 116.67 113.33 3hrz s ASP 134 Ca 0.06 -0.20 0.23 0.00 -0.52 0.00 0.00 52.55 52.12 3hrz s ASP 134 Cb -0.17 -0.30 0.57 0.00 -1.46 0.00 0.00 42.92 41.57 3hrz s ASP 134 CO 0.10 0.09 1.49 -0.46 0.52 0.00 0.00 175.17 176.90 3hrz n ASN 135 N 3.17 3.72 -3.79 -0.34 6.94 -1.26 -0.43 115.26 123.27 3hrz n ASN 135 Ca -0.17 -2.00 -0.29 0.00 -0.02 0.00 0.00 54.58 52.10 3hrz n ASN 135 Cb 0.55 -0.40 0.02 0.00 -2.36 0.00 0.00 39.78 37.59 3hrz n ASN 135 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hrz n GLY 136 N 1.60 -0.50 0.09 4.83 0.00 -1.26 -4.87 105.19 105.08 3hrz n GLY 136 Ca 0.23 0.18 -0.06 0.00 0.00 0.00 0.00 46.02 46.36 3hrz n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrz n ALA 137 N -4.46 1.71 -1.22 4.61 0.00 -1.26 -4.99 120.51 114.89 3hrz n ALA 137 Ca 0.03 -1.06 -0.32 0.00 0.00 0.00 0.00 53.44 52.09 3hrz n ALA 137 Cb 0.53 -0.44 0.10 0.00 0.00 0.00 0.00 19.45 19.63 3hrz n ALA 137 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hrz s GLY 138 N -5.23 1.89 0.14 0.00 0.00 -1.26 -4.93 107.32 97.93 3hrz s GLY 138 Ca -0.08 0.49 -0.19 0.00 0.00 0.00 0.00 44.72 44.94 3hrz s GLY 138 CO 0.84 0.86 1.69 -1.82 0.00 0.00 0.00 173.10 174.67 3hrz h TYR 139 N -0.87 -0.14 -2.19 1.90 3.20 -1.59 -3.42 116.97 113.86 3hrz h TYR 139 Ca -0.45 0.02 -0.45 0.00 3.14 0.00 0.00 58.73 60.99 3hrz h TYR 139 Cb 1.25 0.10 0.01 0.00 1.54 0.00 0.00 36.73 39.63 3hrz h TYR 139 CO 0.54 -0.11 -0.28 0.00 -1.64 0.00 0.00 178.16 176.67 3hrz s SER 141 N -4.14 2.64 -0.12 0.00 1.04 -1.26 -4.86 113.70 107.00 3hrz s SER 141 Ca 0.44 1.27 -0.29 0.00 0.48 0.00 0.00 55.95 57.84 3hrz s SER 141 Cb -0.10 -1.94 -0.03 0.00 0.10 0.00 0.00 66.02 64.05 3hrz s SER 141 CO 0.33 -3.13 1.41 0.21 0.98 0.00 0.00 173.24 173.04 3hrz s ASN 142 N -3.38 6.84 0.48 7.02 3.84 -1.26 -4.90 114.94 123.58 3hrz s ASN 142 Ca 0.65 1.90 0.25 0.00 0.21 0.00 0.00 52.86 55.87 3hrz s ASN 142 Cb -0.19 -2.54 1.17 0.00 -0.55 0.00 0.00 41.25 39.14 3hrz s ASN 142 CO 0.58 -0.82 1.94 -0.65 -2.79 0.00 0.00 177.10 175.37 3hrz h PRO 143 N 8.65 0.00 0.00 0.43 0.11 -1.98 -3.49 132.00 135.72 3hrz h PRO 143 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3hrz h PRO 143 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hrz h PRO 143 CO 0.96 0.19 0.00 0.41 -0.21 0.00 0.00 178.00 179.35 3hrz n GLY 144 N -0.28 -0.04 2.70 -0.55 0.00 -1.26 -4.87 105.19 100.89 3hrz n GLY 144 Ca -0.01 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 3hrz n GLY 144 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hrz s ILE 145 N -1.57 1.32 0.32 -0.61 1.01 -1.26 -4.94 121.20 115.45 3hrz s ILE 145 Ca 0.00 -2.47 -0.27 0.00 0.00 0.00 0.00 60.65 57.92 3hrz s ILE 145 Cb 0.00 -1.93 -0.14 0.00 0.01 0.00 0.00 42.46 40.41 3hrz s ILE 145 CO 0.00 -0.89 0.86 -2.65 0.00 0.00 0.00 174.94 172.26 3hrz n PRO 146 N 3.62 1.03 -1.81 2.79 -0.02 -1.26 -4.79 135.00 134.55 3hrz n PRO 146 Ca 0.08 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 3hrz n PRO 146 Cb 0.35 -1.70 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 3hrz n PRO 146 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hrz s ILE 147 N -1.15 2.56 0.00 4.25 1.01 -1.26 -1.61 121.20 125.00 3hrz s ILE 147 Ca 0.61 0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.48 3hrz s ILE 147 Cb -0.69 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 38.63 3hrz s ILE 147 CO 0.59 0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.14 3hrz n GLY 148 N 4.03 3.09 3.96 6.18 0.00 -1.20 -4.52 105.19 116.73 3hrz n GLY 148 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3hrz n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hrz s THR 149 N -2.70 4.27 -0.03 2.61 -4.23 -0.63 -4.16 115.64 110.76 3hrz s THR 149 Ca 0.00 -0.60 0.07 0.00 -1.18 0.00 0.00 61.69 59.98 3hrz s THR 149 Cb 0.00 -3.55 -0.02 0.00 1.34 0.00 0.00 72.50 70.27 3hrz s THR 149 CO 0.00 -0.34 -0.25 -0.13 -0.54 0.00 0.00 174.62 173.36 3hrz s ARG 150 N -4.42 2.20 -0.10 3.99 0.52 -0.33 -4.36 118.95 116.44 3hrz s ARG 150 Ca 0.46 -0.89 -0.04 0.00 -0.52 0.00 0.00 55.73 54.73 3hrz s ARG 150 Cb -0.10 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 33.31 3hrz s ARG 150 CO 0.36 0.48 0.05 0.21 0.02 0.00 0.00 175.30 176.42 3hrz s LYS 151 N -0.44 3.20 -0.11 3.54 2.20 -1.26 -2.07 119.74 124.80 3hrz s LYS 151 Ca 0.05 -0.32 0.02 0.00 -0.36 0.00 0.00 55.97 55.36 3hrz s LYS 151 Cb -0.11 -2.94 -0.01 0.00 -1.51 0.00 0.00 37.83 33.26 3hrz s LYS 151 CO 0.01 0.69 -0.18 0.08 -0.36 0.00 0.00 175.35 175.59 3hrz s VAL 152 N -0.82 2.64 0.00 4.02 1.01 0.47 -4.97 120.40 122.75 3hrz s VAL 152 Ca 0.13 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3hrz s VAL 152 Cb -0.12 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.20 3hrz s VAL 152 CO 0.03 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.28 3hrz n GLY 153 N 3.38 2.01 0.01 4.51 0.00 -1.26 -0.96 105.19 112.88 3hrz n GLY 153 Ca -0.18 -1.03 0.01 0.00 0.00 0.00 0.00 46.02 44.81 3hrz n GLY 153 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hrz n SER 154 N 0.00 1.92 -4.58 1.61 7.64 -1.26 -4.85 113.62 114.09 3hrz n SER 154 Ca 0.00 -2.07 -0.34 0.00 1.01 0.00 0.00 58.87 57.47 3hrz n SER 154 Cb 0.00 -0.05 -0.11 0.00 -1.01 0.00 0.00 64.21 63.04 3hrz n SER 154 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3hrz s GLN 155 N -1.14 3.42 -0.30 1.43 -0.21 -1.26 -5.03 119.66 116.56 3hrz s GLN 155 Ca 0.04 -0.46 0.09 0.00 0.02 0.00 0.00 55.36 55.05 3hrz s GLN 155 Cb 0.03 -2.89 0.46 0.00 1.00 0.00 0.00 33.01 31.61 3hrz s GLN 155 CO 0.00 0.43 1.16 0.66 -2.12 0.00 0.00 175.29 175.43 3hrz n TYR 156 N 2.97 2.57 -2.32 0.91 4.01 -1.26 -4.63 117.16 119.41 3hrz n TYR 156 Ca -0.18 -2.32 -0.25 0.00 -0.16 0.00 0.00 57.90 55.00 3hrz n TYR 156 Cb 0.53 -0.30 0.07 0.00 -0.31 0.00 0.00 39.34 39.33 3hrz n TYR 156 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3hrz s ARG 157 N -3.61 2.20 0.03 -0.72 0.52 -1.26 -1.47 118.95 114.64 3hrz s ARG 157 Ca 0.47 -0.44 -0.33 0.00 -0.52 0.00 0.00 55.73 54.91 3hrz s ARG 157 Cb 0.40 -2.25 -0.12 0.00 0.52 0.00 0.00 34.95 33.50 3hrz s ARG 157 CO 0.00 -1.16 1.81 -0.11 0.02 0.00 0.00 175.30 175.87 3hrz n LEU 158 N -2.80 3.59 0.00 2.53 7.94 -1.26 -1.45 117.00 125.55 3hrz n LEU 158 Ca 0.09 0.99 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 3hrz n LEU 158 Cb 0.60 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 43.11 3hrz n LEU 158 CO 0.50 -0.02 0.00 -0.62 -1.11 0.00 0.00 177.39 176.13 3hrz n GLU 159 N 5.76 0.00 -2.29 1.96 -0.58 0.01 -5.00 120.64 120.50 3hrz n GLU 159 Ca 0.20 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.58 3hrz n GLU 159 Cb 0.32 -2.73 -0.01 0.00 -0.57 0.00 0.00 31.44 28.46 3hrz n GLU 159 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3hrz s ASP 160 N -2.51 6.08 0.16 1.62 1.01 -0.53 -4.73 116.67 117.78 3hrz s ASP 160 Ca 0.00 2.24 0.10 0.00 0.71 0.00 0.00 52.55 55.60 3hrz s ASP 160 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 3hrz s ASP 160 CO 0.00 -0.97 -0.23 -0.44 0.21 0.00 0.00 175.17 173.74 3hrz s SER 161 N -1.51 3.11 0.06 0.27 0.01 -1.26 -0.54 113.70 113.84 3hrz s SER 161 Ca 0.66 -0.82 0.07 0.00 1.31 0.00 0.00 55.95 57.17 3hrz s SER 161 Cb -0.26 -0.21 -0.03 0.00 0.21 0.00 0.00 66.02 65.73 3hrz s SER 161 CO 0.31 0.09 -0.18 0.68 0.41 0.00 0.00 173.24 174.55 3hrz s VAL 162 N -1.56 1.48 0.15 3.43 -7.23 -0.43 -4.69 120.40 111.55 3hrz s VAL 162 Ca 0.16 -1.22 0.11 0.00 -1.81 0.00 0.00 61.98 59.22 3hrz s VAL 162 Cb -0.08 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 3hrz s VAL 162 CO 0.08 0.06 -0.26 0.42 -0.31 0.00 0.00 175.10 175.09 3hrz s THR 163 N -0.92 2.25 0.13 5.32 -4.23 -0.13 -1.29 115.64 116.76 3hrz s THR 163 Ca 0.05 -1.82 0.10 0.00 -1.18 0.00 0.00 61.69 58.83 3hrz s THR 163 Cb -0.09 -2.01 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 3hrz s THR 163 CO 0.02 0.02 -0.24 -0.31 -0.54 0.00 0.00 174.62 173.57 3hrz s TYR 164 N -1.24 2.09 0.04 3.99 2.02 0.15 -0.40 117.35 123.99 3hrz s TYR 164 Ca 0.15 -0.40 -0.08 0.00 -0.37 0.00 0.00 57.07 56.38 3hrz s TYR 164 Cb -0.09 -1.11 -0.00 0.00 -0.40 0.00 0.00 41.96 40.35 3hrz s TYR 164 CO 0.07 0.32 0.15 -3.38 -1.57 0.00 0.00 175.55 171.14 3hrz s HIS 165 N -1.27 0.11 0.27 2.71 -3.43 -0.88 -4.78 115.29 108.02 3hrz s HIS 165 Ca 0.13 -0.36 0.06 0.00 -0.80 0.00 0.00 55.06 54.09 3hrz s HIS 165 Cb -0.09 -0.07 -0.03 0.00 -1.43 0.00 0.00 32.58 30.95 3hrz s HIS 165 CO 0.06 -0.40 0.30 0.00 -2.00 0.00 0.00 174.74 172.70 3hrz s SER 167 N -3.95 6.85 0.24 0.00 0.15 -1.26 -4.91 113.70 110.82 3hrz s SER 167 Ca 0.36 2.17 -0.30 0.00 0.70 0.00 0.00 55.95 58.88 3hrz s SER 167 Cb -0.08 -2.57 -0.15 0.00 -1.71 0.00 0.00 66.02 61.51 3hrz s SER 167 CO 0.27 -0.70 1.03 0.54 1.20 0.00 0.00 173.24 175.58 3hrz n ARG 168 N 4.99 1.20 0.00 5.44 1.74 -1.26 -1.31 116.66 127.46 3hrz n ARG 168 Ca 0.13 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 3hrz n ARG 168 Cb 0.43 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 3hrz n ARG 168 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hrz n GLY 169 N 1.55 1.30 3.55 -0.13 0.00 -1.26 -4.98 105.19 105.22 3hrz n GLY 169 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 3hrz n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrz s LEU 170 N 0.00 2.83 -0.02 0.99 1.02 -0.42 -4.68 118.68 118.39 3hrz s LEU 170 Ca 0.00 -0.96 0.02 0.00 0.02 0.00 0.00 54.13 53.22 3hrz s LEU 170 Cb 0.00 -1.28 -0.03 0.00 0.02 0.00 0.00 46.19 44.90 3hrz s LEU 170 CO 0.00 -0.06 -0.07 0.42 0.02 0.00 0.00 176.35 176.66 3hrz s THR 171 N -2.48 3.67 -0.30 5.49 -4.23 -0.09 -4.77 115.64 112.93 3hrz s THR 171 Ca 0.32 -0.68 -0.27 0.00 -1.18 0.00 0.00 61.69 59.87 3hrz s THR 171 Cb -0.03 -2.57 0.01 0.00 1.34 0.00 0.00 72.50 71.25 3hrz s THR 171 CO 0.17 0.46 0.98 -0.22 -0.54 0.00 0.00 174.62 175.47 3hrz s LEU 172 N -1.24 4.01 0.28 4.79 2.96 -1.26 -0.65 118.68 127.57 3hrz s LEU 172 Ca 0.16 1.01 -0.07 0.00 -0.22 0.00 0.00 54.13 55.00 3hrz s LEU 172 Cb -0.11 -3.41 -0.06 0.00 0.50 0.00 0.00 46.19 43.11 3hrz s LEU 172 CO 0.06 -0.76 0.58 -0.60 -1.32 0.00 0.00 176.35 174.31 3hrz s ARG 173 N 3.36 3.70 2.79 1.98 3.52 -0.63 -4.80 118.95 128.87 3hrz s ARG 173 Ca 0.41 0.15 0.00 0.00 -0.13 0.00 0.00 55.73 56.16 3hrz s ARG 173 Cb -0.13 -2.61 0.00 0.00 -1.56 0.00 0.00 34.95 30.64 3hrz s ARG 173 CO 0.13 0.22 0.00 0.41 -0.81 0.00 0.00 175.30 175.24 3hrz n GLY 174 N -0.72 -0.43 3.70 8.12 0.00 -1.26 -1.84 105.19 112.76 3hrz n GLY 174 Ca -0.00 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 3hrz n GLY 174 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hrz s SER 175 N -4.00 6.33 0.19 1.61 0.01 -0.92 -4.92 113.70 111.99 3hrz s SER 175 Ca 0.00 0.38 0.11 0.00 1.31 0.00 0.00 55.95 57.74 3hrz s SER 175 Cb 0.00 -2.16 -0.08 0.00 0.21 0.00 0.00 66.02 63.99 3hrz s SER 175 CO 0.00 0.08 1.34 0.06 0.41 0.00 0.00 173.24 175.13 3hrz h GLN 176 N 6.97 0.00 -5.42 12.44 -0.00 -1.89 -3.39 115.11 123.82 3hrz h GLN 176 Ca -0.40 0.00 -0.53 0.00 -0.00 0.00 0.00 58.65 57.72 3hrz h GLN 176 Cb 1.16 0.00 -0.30 0.00 -0.00 0.00 0.00 27.48 28.34 3hrz h GLN 176 CO 0.73 0.75 -0.83 0.50 -0.00 0.00 0.00 178.83 179.98 3hrz s ARG 177 N -2.83 1.45 -0.00 0.06 3.52 -1.26 0.29 118.95 120.18 3hrz s ARG 177 Ca 0.02 -0.58 0.03 0.00 -0.13 0.00 0.00 55.73 55.07 3hrz s ARG 177 Cb 0.09 -1.35 -0.01 0.00 -1.56 0.00 0.00 34.95 32.12 3hrz s ARG 177 CO 0.79 0.31 -0.09 1.03 -0.81 0.00 0.00 175.30 176.52 3hrz s ARG 178 N -0.22 0.70 -0.03 5.12 0.52 -0.41 -4.79 118.95 119.85 3hrz s ARG 178 Ca 0.03 -0.36 0.07 0.00 -0.52 0.00 0.00 55.73 54.95 3hrz s ARG 178 Cb -0.08 -0.67 -0.02 0.00 0.52 0.00 0.00 34.95 34.70 3hrz s ARG 178 CO 0.00 0.18 -0.24 0.99 0.02 0.00 0.00 175.30 176.26 3hrz s THR 179 N -0.30 1.89 -0.15 0.02 2.01 -1.26 -1.32 115.64 116.52 3hrz s THR 179 Ca 0.03 -1.01 -0.29 0.00 0.31 0.00 0.00 61.69 60.72 3hrz s THR 179 Cb -0.04 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 3hrz s THR 179 CO -0.00 0.53 1.26 0.00 -0.69 0.00 0.00 174.62 175.72 3hrz s GLN 181 N 3.36 3.14 0.41 0.00 -0.21 -0.14 -0.81 119.66 125.40 3hrz s GLN 181 Ca 0.55 -0.98 0.16 0.00 0.02 0.00 0.00 55.36 55.11 3hrz s GLN 181 Cb -0.22 -2.76 1.05 0.00 1.00 0.00 0.00 33.01 32.08 3hrz s GLN 181 CO 0.16 0.22 1.86 1.49 -2.12 0.00 0.00 175.29 176.90 3hrz h GLU 182 N 1.11 0.42 0.00 2.91 4.81 -1.95 -0.61 114.58 121.27 3hrz h GLU 182 Ca -0.48 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3hrz h GLU 182 Cb 1.25 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3hrz h GLU 182 CO 0.57 0.28 0.00 0.41 -0.73 0.00 0.00 179.01 179.54 3hrz n GLY 183 N -1.51 -1.12 0.00 1.92 0.00 -1.26 -4.89 105.19 98.34 3hrz n GLY 183 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3hrz n GLY 183 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrz n GLY 184 N 0.85 0.29 3.85 -0.02 0.00 -0.24 -5.08 105.19 104.84 3hrz n GLY 184 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 3hrz n GLY 184 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hrz s SER 185 N -2.04 5.12 -0.02 1.61 1.04 -1.26 -4.28 113.70 113.88 3hrz s SER 185 Ca 0.00 -0.63 -0.19 0.00 0.48 0.00 0.00 55.95 55.62 3hrz s SER 185 Cb 0.00 -0.79 -0.05 0.00 0.10 0.00 0.00 66.02 65.28 3hrz s SER 185 CO 0.00 -0.46 0.53 0.26 0.98 0.00 0.00 173.24 174.54 3hrz s TRP 186 N -2.39 3.66 1.05 5.02 0.52 -1.26 -0.97 118.94 124.58 3hrz s TRP 186 Ca 0.43 1.09 -0.12 0.00 0.02 0.00 0.00 56.10 57.52 3hrz s TRP 186 Cb -0.04 -2.52 0.22 0.00 -1.15 0.00 0.00 33.47 29.98 3hrz s TRP 186 CO 0.27 0.38 1.07 -1.54 0.02 0.00 0.00 176.95 177.15 3hrz s SER 187 N -0.24 1.94 0.81 2.95 1.04 0.15 -4.69 113.70 115.66 3hrz s SER 187 Ca 0.28 1.62 0.00 0.00 0.48 0.00 0.00 55.95 58.33 3hrz s SER 187 Cb -0.17 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.66 3hrz s SER 187 CO 0.15 -3.62 0.00 0.61 0.98 0.00 0.00 173.24 171.36 3hrz n GLY 188 N 0.16 1.00 3.19 7.32 0.00 -1.26 -4.30 105.19 111.30 3hrz n GLY 188 Ca 0.06 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 3hrz n GLY 188 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hrz s THR 189 N 0.00 0.08 0.20 2.61 -1.32 -1.26 -1.32 115.64 114.63 3hrz s THR 189 Ca 0.00 -0.64 -0.33 0.00 -1.21 0.00 0.00 61.69 59.52 3hrz s THR 189 Cb 0.00 -0.63 -0.13 0.00 -1.51 0.00 0.00 72.50 70.23 3hrz s THR 189 CO 0.00 -0.35 1.68 1.21 -2.21 0.00 0.00 174.62 174.95 3hrz n GLU 190 N 1.17 2.61 -1.85 7.08 2.13 -1.26 -2.17 120.64 128.34 3hrz n GLU 190 Ca -0.21 0.94 -0.31 0.00 0.66 0.00 0.00 57.16 58.24 3hrz n GLU 190 Cb 0.57 -2.77 0.02 0.00 0.27 0.00 0.00 31.44 29.53 3hrz n GLU 190 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3hrz s PRO 191 N 1.07 3.39 0.17 5.31 0.05 -1.26 -4.54 135.00 139.18 3hrz s PRO 191 Ca 0.76 0.89 -0.07 0.00 0.05 0.00 0.00 61.00 62.62 3hrz s PRO 191 Cb -0.55 -2.05 -0.02 0.00 0.05 0.00 0.00 34.50 31.93 3hrz s PRO 191 CO 0.34 -0.74 0.25 -1.54 0.05 0.00 0.00 177.00 175.36 3hrz s SER 192 N -3.78 0.09 -0.20 6.66 1.04 -0.77 -4.72 113.70 112.01 3hrz s SER 192 Ca 0.57 -0.99 -0.07 0.00 0.48 0.00 0.00 55.95 55.94 3hrz s SER 192 Cb -0.12 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 3hrz s SER 192 CO 0.50 -0.88 0.06 0.00 0.98 0.00 0.00 173.24 173.90 3hrz s GLN 194 N 0.69 3.33 0.44 0.00 -1.52 0.17 -4.95 119.66 117.83 3hrz s GLN 194 Ca 0.03 -0.68 0.08 0.00 -1.95 0.00 0.00 55.36 52.84 3hrz s GLN 194 Cb -0.13 -2.75 0.01 0.00 -0.22 0.00 0.00 33.01 29.91 3hrz s GLN 194 CO 0.02 0.02 0.53 0.34 -0.25 0.00 0.00 175.29 175.95 3hrz s ASP 195 N 0.85 5.37 0.40 5.90 -1.08 -1.26 -0.91 116.67 125.94 3hrz s ASP 195 Ca -0.03 -0.60 0.08 0.00 -0.52 0.00 0.00 52.55 51.48 3hrz s ASP 195 Cb -0.15 -0.49 0.83 0.00 -1.46 0.00 0.00 42.92 41.65 3hrz s ASP 195 CO 0.00 -0.80 1.98 0.77 0.52 0.00 0.00 175.17 177.64 3hrz h SER 196 N 0.71 0.34 0.53 -0.34 4.64 -1.93 -2.55 113.55 114.96 3hrz h SER 196 Ca -0.39 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3hrz h SER 196 Cb 1.28 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3hrz h SER 196 CO 0.49 0.36 -0.46 2.22 -0.87 0.00 0.00 176.83 178.57 3hrz n PHE 197 N -4.38 0.00 -2.41 4.77 -1.74 -1.26 -4.94 117.46 107.50 3hrz n PHE 197 Ca 0.01 0.00 -0.34 0.00 -0.56 0.00 0.00 57.45 56.56 3hrz n PHE 197 Cb 0.17 -0.27 -0.02 0.00 1.52 0.00 0.00 39.48 40.88 3hrz n PHE 197 CO 0.00 0.00 0.00 -1.64 -0.56 0.00 0.00 176.76 174.56 3hrz s MET 198 N -2.99 3.61 0.14 3.97 -1.94 -0.96 -4.83 119.30 116.30 3hrz s MET 198 Ca 0.12 1.44 -0.24 0.00 -1.71 0.00 0.00 55.69 55.30 3hrz s MET 198 Cb 0.18 -2.06 0.07 0.00 2.01 0.00 0.00 34.83 35.03 3hrz s MET 198 CO 0.68 -0.61 0.62 1.52 -0.01 0.00 0.00 175.02 177.23 3hrz s TYR 199 N -1.94 -0.54 0.16 -0.03 1.13 -1.23 -4.91 117.35 110.00 3hrz s TYR 199 Ca 0.69 0.39 -0.25 0.00 -1.41 0.00 0.00 57.07 56.49 3hrz s TYR 199 Cb -0.19 0.55 -0.08 0.00 -1.10 0.00 0.00 41.96 41.14 3hrz s TYR 199 CO 0.23 -0.82 0.76 -0.51 -2.51 0.00 0.00 175.55 172.70 3hrz s ASP 200 N -2.62 7.36 0.65 -0.18 1.01 0.39 -4.90 116.67 118.39 3hrz s ASP 200 Ca 0.00 1.61 -0.14 0.00 0.71 0.00 0.00 52.55 54.73 3hrz s ASP 200 Cb -0.01 -2.49 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 3hrz s ASP 200 CO -0.11 0.22 1.08 0.42 0.21 0.00 0.00 175.17 176.99 3hrz s THR 201 N -1.15 3.55 0.33 -1.27 -4.23 -1.26 -4.21 115.64 107.40 3hrz s THR 201 Ca 0.35 0.67 0.02 0.00 -1.18 0.00 0.00 61.69 61.55 3hrz s THR 201 Cb -0.23 -3.21 0.19 0.00 1.34 0.00 0.00 72.50 70.59 3hrz s THR 201 CO 0.26 -0.49 1.91 -0.65 -0.54 0.00 0.00 174.62 175.10 3hrz h PRO 202 N -0.05 0.70 -0.02 3.99 0.11 -1.97 -2.43 132.00 132.33 3hrz h PRO 202 Ca -0.46 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 65.54 3hrz h PRO 202 Cb 1.23 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hrz h PRO 202 CO 0.55 0.60 0.01 1.96 -0.21 0.00 0.00 178.00 180.91 3hrz h GLN 203 N 0.69 0.03 -0.66 1.05 7.50 -1.92 -1.18 115.11 120.62 3hrz h GLN 203 Ca 0.16 -0.00 0.07 0.00 0.50 0.00 0.00 58.65 59.38 3hrz h GLN 203 Cb 0.17 -0.01 -0.06 0.00 0.05 0.00 0.00 27.48 27.64 3hrz h GLN 203 CO -0.01 0.08 0.34 0.93 -1.50 0.00 0.00 178.83 178.67 3hrz h GLU 204 N -0.02 0.59 -0.20 1.46 5.08 -1.86 -2.03 114.58 117.60 3hrz h GLU 204 Ca 0.01 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3hrz h GLU 204 Cb 0.05 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3hrz h GLU 204 CO -0.00 0.39 -0.10 0.28 -1.00 0.00 0.00 179.01 178.58 3hrz h VAL 205 N 0.61 1.31 -0.25 3.13 2.07 -1.22 0.17 116.25 122.06 3hrz h VAL 205 Ca 0.31 -1.16 0.06 0.00 0.82 0.00 0.00 66.70 66.73 3hrz h VAL 205 Cb 0.26 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 3hrz h VAL 205 CO -0.22 0.35 -0.11 0.00 0.02 0.00 0.00 177.57 177.61 3hrz h ALA 206 N 0.70 0.10 -0.12 1.67 0.00 -1.05 0.85 119.26 121.42 3hrz h ALA 206 Ca 0.05 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hrz h ALA 206 Cb 0.59 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3hrz h ALA 206 CO 0.03 -0.52 0.06 1.49 0.00 0.00 0.00 179.25 180.31 3hrz h GLU 207 N -0.07 0.17 -0.77 0.00 4.57 -1.26 -1.50 114.58 115.72 3hrz h GLU 207 Ca 0.13 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.26 3hrz h GLU 207 Cb 0.27 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 3hrz h GLU 207 CO -0.30 0.24 0.37 0.00 -1.18 0.00 0.00 179.01 178.13 3hrz h ALA 208 N 0.93 1.00 0.14 2.92 0.00 -0.67 -0.34 119.26 123.23 3hrz h ALA 208 Ca 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3hrz h ALA 208 Cb 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3hrz h ALA 208 CO -0.01 0.57 -0.07 0.35 0.00 0.00 0.00 179.25 180.09 3hrz h PHE 209 N 1.09 -0.17 -0.71 0.00 3.57 -0.77 -1.66 116.94 118.28 3hrz h PHE 209 Ca 0.27 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 3hrz h PHE 209 Cb 0.12 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 3hrz h PHE 209 CO 0.01 0.29 0.41 1.25 -2.23 0.00 0.00 178.31 178.04 3hrz h LEU 210 N -0.83 0.86 -0.98 0.59 5.85 -1.30 0.22 115.31 119.73 3hrz h LEU 210 Ca -0.02 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.54 3hrz h LEU 210 Cb 0.54 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3hrz h LEU 210 CO 0.03 0.68 -0.44 -1.28 -0.34 0.00 0.00 178.44 177.09 3hrz h SER 211 N 0.99 0.16 -0.08 1.25 0.87 -1.10 -0.73 113.55 114.91 3hrz h SER 211 Ca 0.25 -0.07 -0.23 0.00 -1.23 0.00 0.00 61.79 60.52 3hrz h SER 211 Cb -0.01 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3hrz h SER 211 CO -0.04 0.58 -0.85 -1.28 -0.53 0.00 0.00 176.83 174.71 3hrz h SER 212 N 0.13 0.88 0.40 6.23 0.87 -0.16 -3.33 113.55 118.57 3hrz h SER 212 Ca 0.01 -0.68 -0.21 0.00 -1.23 0.00 0.00 61.79 59.68 3hrz h SER 212 Cb 0.83 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 3hrz h SER 212 CO 0.06 1.43 -0.88 0.25 -0.53 0.00 0.00 176.83 177.17 3hrz h LEU 213 N 0.41 0.43-10.36 2.23 5.85 -0.51 -3.47 115.31 109.89 3hrz h LEU 213 Ca -0.08 -0.33 -0.60 0.00 0.84 0.00 0.00 57.88 57.70 3hrz h LEU 213 Cb 1.50 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.34 3hrz h LEU 213 CO 0.17 1.12 -0.31 0.42 -0.34 0.00 0.00 178.44 179.50 3hrz s THR 214 N -3.32 1.48 -0.04 1.05 -4.23 -0.29 -4.60 115.64 105.69 3hrz s THR 214 Ca -0.05 -1.54 0.03 0.00 -1.18 0.00 0.00 61.69 58.95 3hrz s THR 214 Cb 0.10 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.91 3hrz s THR 214 CO 0.85 0.00 -0.13 -1.61 -0.54 0.00 0.00 174.62 173.19 3hrz s GLU 215 N -4.28 1.39 0.36 3.99 2.02 -0.32 -4.81 118.70 117.06 3hrz s GLU 215 Ca 0.29 -0.44 0.08 0.00 0.02 0.00 0.00 54.97 54.92 3hrz s GLU 215 Cb -0.02 -1.23 -0.04 0.00 0.10 0.00 0.00 34.13 32.94 3hrz s GLU 215 CO 0.19 0.15 0.19 -0.08 0.02 0.00 0.00 175.26 175.72 3hrz s THR 216 N 0.21 2.86 0.00 3.63 -1.32 -1.26 -1.86 115.64 117.90 3hrz s THR 216 Ca -0.05 -1.64 0.00 0.00 -1.21 0.00 0.00 61.69 58.79 3hrz s THR 216 Cb -0.11 -2.99 0.00 0.00 -1.51 0.00 0.00 72.50 67.89 3hrz s THR 216 CO 0.02 -0.12 0.00 0.29 -2.21 0.00 0.00 174.62 172.59 3hrz n LYS 233 N -1.23 0.00 -4.40 7.08 5.02 -1.26 -4.94 118.16 118.43 3hrz n LYS 233 Ca -0.02 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.06 3hrz n LYS 233 Cb 0.62 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.53 3hrz n LYS 233 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3hrz s ARG 234 N 0.00 1.49 -0.05 1.97 0.52 -1.26 -5.15 118.95 116.46 3hrz s ARG 234 Ca 0.00 -1.67 -0.08 0.00 -0.52 0.00 0.00 55.73 53.47 3hrz s ARG 234 Cb 0.00 -1.42 0.02 0.00 0.52 0.00 0.00 34.95 34.06 3hrz s ARG 234 CO 0.00 0.25 0.19 -1.59 0.02 0.00 0.00 175.30 174.18 3hrz s LYS 235 N -3.56 0.32 -0.06 3.54 -2.85 -0.78 -4.98 119.74 111.37 3hrz s LYS 235 Ca 0.26 0.09 -0.26 0.00 -1.00 0.00 0.00 55.97 55.06 3hrz s LYS 235 Cb -0.03 0.15 -0.03 0.00 -2.06 0.00 0.00 37.83 35.86 3hrz s LYS 235 CO 0.11 -0.06 0.83 0.42 0.10 0.00 0.00 175.35 176.75 3hrz s ILE 236 N -0.33 4.95 -0.20 3.79 1.01 -1.26 -1.18 121.20 127.98 3hrz s ILE 236 Ca -0.04 1.71 -0.10 0.00 0.00 0.00 0.00 60.65 62.22 3hrz s ILE 236 Cb -0.03 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 3hrz s ILE 236 CO 0.01 0.17 0.13 -0.69 0.00 0.00 0.00 174.94 174.56 3hrz s VAL 237 N 1.14 5.32 0.14 2.92 1.01 -1.26 -5.00 120.40 124.66 3hrz s VAL 237 Ca 0.43 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.58 3hrz s VAL 237 Cb -0.19 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3hrz s VAL 237 CO 0.21 0.43 -0.01 -0.76 0.00 0.00 0.00 175.10 174.97 3hrz s LEU 238 N 0.47 2.17 0.72 3.92 1.43 -1.26 -5.05 118.68 121.08 3hrz s LEU 238 Ca 0.07 -1.13 -0.16 0.00 -1.03 0.00 0.00 54.13 51.88 3hrz s LEU 238 Cb -0.12 0.00 0.01 0.00 0.03 0.00 0.00 46.19 46.12 3hrz s LEU 238 CO -0.01 -0.57 1.01 0.47 0.23 0.00 0.00 176.35 177.48 3hrz n ASP 239 N -0.16 0.63 -4.68 2.29 9.92 -1.26 -4.80 116.55 118.49 3hrz n ASP 239 Ca -0.08 0.67 -0.45 0.00 -0.53 0.00 0.00 54.79 54.40 3hrz n ASP 239 Cb 0.63 -1.43 -0.04 0.00 -0.64 0.00 0.00 41.12 39.64 3hrz n ASP 239 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 3hrz n PRO 240 N -1.99 2.39 -3.46 -0.24 -0.02 -1.26 0.18 135.00 130.60 3hrz n PRO 240 Ca 0.13 0.87 -0.18 0.00 -2.02 0.00 0.00 63.50 62.30 3hrz n PRO 240 Cb 0.49 -2.69 0.09 0.00 -0.02 0.00 0.00 33.50 31.37 3hrz n PRO 240 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hrz n SER 241 N 4.60 -2.94 -4.98 2.55 2.88 -1.26 -4.99 113.62 109.48 3hrz n SER 241 Ca 0.18 -0.60 -0.22 0.00 -1.33 0.00 0.00 58.87 56.90 3hrz n SER 241 Cb 0.32 -5.09 0.03 0.00 -0.75 0.00 0.00 64.21 58.72 3hrz n SER 241 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3hrz s GLY 242 N -4.14 1.99 0.11 0.46 0.00 0.13 -5.02 107.32 100.84 3hrz s GLY 242 Ca 0.12 -1.80 -0.11 0.00 0.00 0.00 0.00 44.72 42.93 3hrz s GLY 242 CO 0.73 -1.77 0.27 -0.45 0.00 0.00 0.00 173.10 171.88 3hrz s SER 243 N -4.49 0.00 -0.07 1.64 0.15 -1.26 -4.88 113.70 104.80 3hrz s SER 243 Ca 0.51 -0.58 -0.06 0.00 0.70 0.00 0.00 55.95 56.52 3hrz s SER 243 Cb -0.05 0.40 0.02 0.00 -1.71 0.00 0.00 66.02 64.68 3hrz s SER 243 CO 0.32 -0.79 0.18 -0.32 1.20 0.00 0.00 173.24 173.82 3hrz s MET 244 N -3.86 0.20 -0.10 5.44 1.75 -1.26 -1.64 119.30 119.82 3hrz s MET 244 Ca 0.06 0.26 0.04 0.00 -1.25 0.00 0.00 55.69 54.80 3hrz s MET 244 Cb 0.04 0.07 0.00 0.00 2.84 0.00 0.00 34.83 37.78 3hrz s MET 244 CO -0.10 -0.04 -0.22 -0.80 -0.65 0.00 0.00 175.02 173.21 3hrz s ASN 245 N 0.21 2.96 -0.14 1.11 -0.87 0.27 -1.45 114.94 117.02 3hrz s ASN 245 Ca -0.01 -0.54 0.01 0.00 -1.57 0.00 0.00 52.86 50.75 3hrz s ASN 245 Cb -0.02 -1.36 -0.00 0.00 -0.02 0.00 0.00 41.25 39.85 3hrz s ASN 245 CO -0.01 0.13 -0.17 -0.63 -2.57 0.00 0.00 177.10 173.85 3hrz s ILE 246 N 0.46 2.51 -0.29 0.60 1.01 -0.46 -0.36 121.20 124.66 3hrz s ILE 246 Ca -0.16 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.60 3hrz s ILE 246 Cb -0.17 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.28 3hrz s ILE 246 CO 0.07 0.53 0.04 -0.31 0.00 0.00 0.00 174.94 175.27 3hrz s TYR 247 N 0.71 3.16 -0.35 3.97 2.02 0.11 -0.48 117.35 126.49 3hrz s TYR 247 Ca -0.08 -1.30 -0.19 0.00 -0.37 0.00 0.00 57.07 55.13 3hrz s TYR 247 Cb -0.16 -2.20 -0.00 0.00 -0.40 0.00 0.00 41.96 39.20 3hrz s TYR 247 CO 0.01 -0.67 0.54 -0.51 -1.57 0.00 0.00 175.55 173.36 3hrz s LEU 248 N 1.41 4.32 -0.21 -1.29 1.43 0.35 -0.27 118.68 124.43 3hrz s LEU 248 Ca 0.00 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 3hrz s LEU 248 Cb -0.18 -2.64 0.04 0.00 0.03 0.00 0.00 46.19 43.44 3hrz s LEU 248 CO 0.01 -0.50 -0.14 -0.69 0.23 0.00 0.00 176.35 175.25 3hrz s VAL 249 N 2.47 1.95 -0.22 -1.59 1.01 -0.12 -0.97 120.40 122.93 3hrz s VAL 249 Ca 0.20 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3hrz s VAL 249 Cb -0.15 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.33 3hrz s VAL 249 CO 0.14 0.26 -0.13 -0.22 0.00 0.00 0.00 175.10 175.15 3hrz s LEU 250 N 1.27 2.77 -0.03 3.92 2.96 0.40 -0.74 118.68 129.24 3hrz s LEU 250 Ca -0.01 -0.83 -0.30 0.00 -0.22 0.00 0.00 54.13 52.77 3hrz s LEU 250 Cb -0.16 -1.57 -0.07 0.00 0.50 0.00 0.00 46.19 44.88 3hrz s LEU 250 CO -0.09 -0.08 1.91 -0.62 -1.32 0.00 0.00 176.35 176.15 3hrz s ASP 251 N 1.28 6.38 -0.17 3.68 -1.08 -0.07 -1.79 116.67 124.90 3hrz s ASP 251 Ca 0.01 2.43 0.15 0.00 -0.52 0.00 0.00 52.55 54.62 3hrz s ASP 251 Cb -0.16 -2.53 0.37 0.00 -1.46 0.00 0.00 42.92 39.14 3hrz s ASP 251 CO -0.08 -1.14 1.21 0.61 0.52 0.00 0.00 175.17 176.29 3hrz n GLY 252 N 4.59 4.97 3.67 2.66 0.00 0.18 -4.87 105.19 116.40 3hrz n GLY 252 Ca 0.20 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 3hrz n GLY 252 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hrz s SER 253 N -2.99 2.50 0.47 1.61 1.04 -1.14 -4.70 113.70 110.50 3hrz s SER 253 Ca 0.36 1.14 0.14 0.00 0.48 0.00 0.00 55.95 58.06 3hrz s SER 253 Cb 0.33 -1.79 1.11 0.00 0.10 0.00 0.00 66.02 65.77 3hrz s SER 253 CO -0.01 -3.20 2.07 1.23 0.98 0.00 0.00 173.24 174.30 3hrz h GLY 254 N -1.94 0.30 2.00 7.32 0.00 -1.43 -2.75 103.07 106.57 3hrz h GLY 254 Ca -0.55 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 3hrz h GLY 254 CO 0.58 0.09 -0.20 1.48 0.00 0.00 0.00 176.54 178.48 3hrz h SER 255 N 0.26 0.00 -0.05 0.19 4.64 -1.92 -3.27 113.55 113.40 3hrz h SER 255 Ca 0.13 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 3hrz h SER 255 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3hrz h SER 255 CO -0.03 0.20 -0.03 0.40 -0.87 0.00 0.00 176.83 176.50 3hrz h ILE 256 N 0.00 1.34 0.00 0.95 1.08 -1.84 -3.41 117.51 115.63 3hrz h ILE 256 Ca -0.00 -1.07 0.00 0.00 -0.39 0.00 0.00 64.86 63.40 3hrz h ILE 256 Cb 0.36 1.95 0.00 0.00 -3.07 0.00 0.00 36.82 36.06 3hrz h ILE 256 CO 0.03 0.29 0.00 0.61 -0.69 0.00 0.00 178.15 178.39 3hrz n GLY 257 N 0.07 0.49 0.28 5.37 0.00 -1.23 -4.47 105.19 105.70 3hrz n GLY 257 Ca -0.07 -1.60 -0.08 0.00 0.00 0.00 0.00 46.02 44.26 3hrz n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrz h ALA 258 N 0.00 0.81 -0.10 4.61 0.00 -1.94 -2.29 119.26 120.34 3hrz h ALA 258 Ca 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hrz h ALA 258 Cb 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3hrz h ALA 258 CO 0.00 0.50 0.05 1.03 0.00 0.00 0.00 179.25 180.83 3hrz h SER 259 N 0.89 0.13 0.06 0.00 0.87 -2.00 -1.61 113.55 111.88 3hrz h SER 259 Ca 0.19 -0.10 -0.12 0.00 -1.23 0.00 0.00 61.79 60.54 3hrz h SER 259 Cb 0.33 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3hrz h SER 259 CO -0.00 0.19 -0.38 0.44 -0.53 0.00 0.00 176.83 176.55 3hrz h ASP 260 N 0.06 0.45 -0.33 6.23 3.32 -1.78 -1.99 116.42 122.38 3hrz h ASP 260 Ca 0.04 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 3hrz h ASP 260 Cb 0.09 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3hrz h ASP 260 CO -0.01 0.79 0.20 0.15 -1.72 0.00 0.00 179.24 178.66 3hrz h PHE 261 N 0.36 0.43 -0.44 4.55 3.57 -1.10 0.25 116.94 124.57 3hrz h PHE 261 Ca 0.04 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.39 3hrz h PHE 261 Cb 0.84 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 3hrz h PHE 261 CO 0.03 0.31 -0.30 1.79 -2.23 0.00 0.00 178.31 177.91 3hrz h THR 262 N 0.43 1.27 -0.63 4.41 1.35 -1.24 -1.16 112.91 117.34 3hrz h THR 262 Ca 0.12 -1.47 0.07 0.00 -0.55 0.00 0.00 66.41 64.59 3hrz h THR 262 Cb -0.00 1.24 -0.06 0.00 -1.73 0.00 0.00 68.15 67.60 3hrz h THR 262 CO -0.02 0.50 0.31 1.23 -0.25 0.00 0.00 175.52 177.29 3hrz h GLY 263 N 0.83 0.92 1.02 5.82 0.00 -1.03 -1.92 103.07 108.72 3hrz h GLY 263 Ca 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 3hrz h GLY 263 CO 0.08 0.08 0.48 0.00 0.00 0.00 0.00 176.54 177.19 3hrz h ALA 264 N 1.37 1.12 0.11 3.60 0.00 -0.06 -1.75 119.26 123.65 3hrz h ALA 264 Ca 0.30 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3hrz h ALA 264 Cb 0.27 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3hrz h ALA 264 CO -0.23 0.62 -0.37 0.87 0.00 0.00 0.00 179.25 180.15 3hrz h LYS 265 N 1.22 -0.57 -0.43 0.00 1.57 -0.66 -1.49 116.57 116.21 3hrz h LYS 265 Ca 0.31 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.21 3hrz h LYS 265 Cb 0.02 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.39 3hrz h LYS 265 CO -0.05 -0.38 -0.01 0.87 -0.57 0.00 0.00 179.45 179.31 3hrz h LYS 266 N -0.59 0.10 -0.58 3.15 1.57 -1.07 0.18 116.57 119.33 3hrz h LYS 266 Ca 0.03 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.92 3hrz h LYS 266 Cb 0.63 -0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.80 3hrz h LYS 266 CO -0.22 0.06 -0.23 0.00 -0.57 0.00 0.00 179.45 178.49 3hrz h LEU 268 N -0.08 0.84 -0.50 0.00 3.38 -0.04 -0.74 115.31 118.15 3hrz h LEU 268 Ca 0.27 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3hrz h LEU 268 Cb 0.50 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3hrz h LEU 268 CO -0.64 0.82 0.27 0.58 0.09 0.00 0.00 178.44 179.56 3hrz h VAL 269 N 0.85 0.98 -0.02 1.22 2.07 0.05 -1.78 116.25 119.61 3hrz h VAL 269 Ca 0.18 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 3hrz h VAL 269 Cb 0.33 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3hrz h VAL 269 CO 0.00 0.10 -0.47 0.78 0.02 0.00 0.00 177.57 178.00 3hrz h ASN 270 N 0.52 0.05 -0.24 0.57 2.35 -0.57 -2.80 115.58 115.47 3hrz h ASN 270 Ca 0.22 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.84 3hrz h ASN 270 Cb 0.10 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 3hrz h ASN 270 CO -0.14 0.52 -0.20 0.25 -1.65 0.00 0.00 177.43 176.21 3hrz h LEU 271 N 0.04 0.70 -0.66 1.61 5.85 -0.69 -1.21 115.31 120.95 3hrz h LEU 271 Ca -0.00 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 3hrz h LEU 271 Cb 0.85 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3hrz h LEU 271 CO 0.06 0.89 0.29 0.40 -0.34 0.00 0.00 178.44 179.75 3hrz h ILE 272 N 0.61 1.23 -0.13 4.05 1.08 -1.08 -0.76 117.51 122.52 3hrz h ILE 272 Ca 0.09 -0.68 -0.00 0.00 -0.39 0.00 0.00 64.86 63.89 3hrz h ILE 272 Cb 0.67 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 3hrz h ILE 272 CO 0.05 0.27 0.08 -0.33 -0.69 0.00 0.00 178.15 177.53 3hrz h GLU 273 N 0.91 0.18 0.18 2.37 5.08 -1.31 -1.81 114.58 120.18 3hrz h GLU 273 Ca 0.22 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3hrz h GLU 273 Cb 0.15 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3hrz h GLU 273 CO -0.02 0.16 -0.24 -0.22 -1.00 0.00 0.00 179.01 177.69 3hrz h LYS 274 N 0.14 -0.46 -0.97 2.33 1.63 -0.83 -2.07 116.57 116.34 3hrz h LYS 274 Ca 0.05 0.03 0.14 0.00 -0.85 0.00 0.00 60.65 60.02 3hrz h LYS 274 Cb 0.03 0.10 -0.08 0.00 -0.60 0.00 0.00 32.23 31.68 3hrz h LYS 274 CO -0.01 -0.31 0.61 0.28 -3.45 0.00 0.00 179.45 176.58 3hrz h VAL 275 N -0.47 0.86 0.00 2.00 2.07 -1.10 -1.50 116.25 118.10 3hrz h VAL 275 Ca 0.01 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 3hrz h VAL 275 Cb 0.47 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3hrz h VAL 275 CO -0.09 0.16 -0.28 0.00 0.02 0.00 0.00 177.57 177.38 3hrz h ALA 276 N 1.58 1.52 0.00 1.67 0.00 -0.66 -2.35 119.26 121.01 3hrz h ALA 276 Ca 0.49 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hrz h ALA 276 Cb 0.64 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hrz h ALA 276 CO -0.26 0.35 -0.02 0.66 0.00 0.00 0.00 179.25 179.98 3hrz h SER 277 N 0.00 0.00 0.21 0.00 4.64 -0.73 -2.19 113.55 115.48 3hrz h SER 277 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hrz h SER 277 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3hrz h SER 277 CO 0.04 0.02 -0.05 -1.22 -0.87 0.00 0.00 176.83 174.75 3hrz n TYR 278 N -3.55 0.00 -0.94 4.77 4.01 -0.88 -4.90 117.16 115.66 3hrz n TYR 278 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3hrz n TYR 278 Cb 0.11 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3hrz n TYR 278 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hrz n GLY 279 N 1.17 1.00 3.89 2.72 0.00 -0.82 -4.77 105.19 108.38 3hrz n GLY 279 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3hrz n GLY 279 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hrz s VAL 280 N -3.80 4.85 -0.75 1.61 -7.23 -1.26 -5.04 120.40 108.78 3hrz s VAL 280 Ca 0.00 0.43 0.03 0.00 -1.81 0.00 0.00 61.98 60.63 3hrz s VAL 280 Cb 0.00 -3.79 0.23 0.00 0.56 0.00 0.00 36.38 33.38 3hrz s VAL 280 CO 0.00 -0.67 0.76 0.29 -0.31 0.00 0.00 175.10 175.17 3hrz n LYS 281 N -1.73 2.56 -1.97 4.82 4.76 -1.26 -4.77 118.16 120.57 3hrz n LYS 281 Ca 0.02 -4.58 -0.36 0.00 -2.87 0.00 0.00 58.31 50.51 3hrz n LYS 281 Cb 0.54 -2.32 0.04 0.00 -1.84 0.00 0.00 35.03 31.45 3hrz n LYS 281 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 3hrz s PRO 282 N -2.05 2.92 -0.02 1.97 0.02 -1.26 -4.79 135.00 131.78 3hrz s PRO 282 Ca 0.33 1.88 -0.23 0.00 0.02 0.00 0.00 61.00 62.99 3hrz s PRO 282 Cb 0.05 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 3hrz s PRO 282 CO -0.06 -1.26 0.70 1.03 -0.33 0.00 0.00 177.00 177.08 3hrz s ARG 283 N -3.32 4.43 0.06 5.54 0.52 -0.53 -4.22 118.95 121.44 3hrz s ARG 283 Ca 0.78 0.91 -0.00 0.00 -0.52 0.00 0.00 55.73 56.90 3hrz s ARG 283 Cb -0.32 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 31.71 3hrz s ARG 283 CO 0.34 0.18 0.20 0.71 0.02 0.00 0.00 175.30 176.75 3hrz s TYR 284 N 0.40 3.51 -0.05 -0.53 2.02 0.77 -1.36 117.35 122.11 3hrz s TYR 284 Ca 0.37 0.25 0.04 0.00 -0.37 0.00 0.00 57.07 57.35 3hrz s TYR 284 Cb -0.19 -1.76 -0.03 0.00 -0.40 0.00 0.00 41.96 39.59 3hrz s TYR 284 CO 0.19 0.59 -0.15 0.20 -1.57 0.00 0.00 175.55 174.82 3hrz s GLY 285 N -2.48 1.52 -0.13 0.71 0.00 0.37 -2.92 107.32 104.39 3hrz s GLY 285 Ca 0.34 -0.98 -0.01 0.00 0.00 0.00 0.00 44.72 44.07 3hrz s GLY 285 CO 0.27 -0.76 -0.03 -2.27 0.00 0.00 0.00 173.10 170.32 3hrz s LEU 286 N -0.69 1.12 -0.04 0.66 2.96 -0.36 -0.50 118.68 121.84 3hrz s LEU 286 Ca 0.11 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 3hrz s LEU 286 Cb -0.11 -0.70 0.02 0.00 0.50 0.00 0.00 46.19 45.90 3hrz s LEU 286 CO 0.01 -0.19 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.11 3hrz s VAL 287 N 1.79 0.57 0.09 1.68 1.01 -0.14 0.06 120.40 125.45 3hrz s VAL 287 Ca 0.03 -0.16 0.09 0.00 0.00 0.00 0.00 61.98 61.94 3hrz s VAL 287 Cb -0.14 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 3hrz s VAL 287 CO -0.07 0.22 -0.22 0.42 0.00 0.00 0.00 175.10 175.45 3hrz s THR 288 N 0.75 2.52 0.01 3.92 -4.23 -0.66 -0.45 115.64 117.50 3hrz s THR 288 Ca -0.10 -1.48 -0.08 0.00 -1.18 0.00 0.00 61.69 58.85 3hrz s THR 288 Cb -0.13 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.62 3hrz s THR 288 CO 0.00 0.21 0.15 -0.72 -0.54 0.00 0.00 174.62 173.72 3hrz s TYR 289 N -1.00 0.06 0.00 3.99 -0.85 -0.74 0.66 117.35 119.47 3hrz s TYR 289 Ca 0.15 -0.19 0.00 0.00 -0.52 0.00 0.00 57.07 56.50 3hrz s TYR 289 Cb -0.10 -0.05 0.00 0.00 0.38 0.00 0.00 41.96 42.18 3hrz s TYR 289 CO 0.06 -0.33 0.00 0.00 -1.52 0.00 0.00 175.55 173.76 3hrz n ALA 290 N 1.22 0.00 -0.25 9.51 0.00 -1.26 0.47 120.51 130.20 3hrz n ALA 290 Ca -0.22 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.30 3hrz n ALA 290 Cb 0.56 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.34 3hrz n ALA 290 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hrz h THR 291 N 0.00 0.98 -3.53 0.00 2.02 -0.80 -2.37 112.91 109.21 3hrz h THR 291 Ca 0.00 -0.28 -0.38 0.00 0.77 0.00 0.00 66.41 66.52 3hrz h THR 291 Cb 0.00 0.09 -0.17 0.00 -1.74 0.00 0.00 68.15 66.32 3hrz h THR 291 CO 0.00 0.15 -0.74 -0.31 0.37 0.00 0.00 175.52 174.99 3hrz s TYR 292 N -5.75 1.32 0.31 3.16 2.02 -1.26 -4.54 117.35 112.61 3hrz s TYR 292 Ca -0.10 -0.61 -0.27 0.00 -0.37 0.00 0.00 57.07 55.71 3hrz s TYR 292 Cb 0.20 -0.69 -0.10 0.00 -0.40 0.00 0.00 41.96 40.98 3hrz s TYR 292 CO 0.79 0.12 0.97 -1.25 -1.57 0.00 0.00 175.55 174.60 3hrz s PRO 293 N -2.95 4.61 -0.23 -1.71 0.05 -1.26 -4.42 135.00 129.08 3hrz s PRO 293 Ca 0.10 1.43 -0.02 0.00 0.05 0.00 0.00 61.00 62.57 3hrz s PRO 293 Cb -0.03 -2.92 0.02 0.00 0.05 0.00 0.00 34.50 31.62 3hrz s PRO 293 CO 0.02 0.28 -0.08 0.21 0.05 0.00 0.00 177.00 177.48 3hrz s LYS 294 N -1.84 2.96 -0.42 4.56 2.47 0.21 -4.97 119.74 122.71 3hrz s LYS 294 Ca 0.48 -0.89 -0.22 0.00 -1.56 0.00 0.00 55.97 53.79 3hrz s LYS 294 Cb -0.22 -2.91 0.02 0.00 -1.46 0.00 0.00 37.83 33.26 3hrz s LYS 294 CO 0.28 -0.33 0.71 0.42 0.16 0.00 0.00 175.35 176.59 3hrz s ILE 295 N 1.35 4.76 -0.08 5.43 1.09 -1.26 -1.66 121.20 130.82 3hrz s ILE 295 Ca 0.02 0.40 -0.01 0.00 -1.10 0.00 0.00 60.65 59.96 3hrz s ILE 295 Cb -0.16 -4.23 -0.26 0.00 -1.06 0.00 0.00 42.46 36.76 3hrz s ILE 295 CO -0.06 -0.58 0.51 -0.50 -0.10 0.00 0.00 174.94 174.21 3hrz h TRP 296 N 8.80 0.35 -3.73 3.97 4.06 -0.77 -3.47 115.95 125.17 3hrz h TRP 296 Ca -0.25 -0.25 -0.38 0.00 2.06 0.00 0.00 58.89 60.06 3hrz h TRP 296 Cb 1.09 -0.01 -0.31 0.00 -1.00 0.00 0.00 29.16 28.93 3hrz h TRP 296 CO 0.77 1.52 -0.77 0.08 -3.56 0.00 0.00 178.44 176.47 3hrz s VAL 297 N -2.58 0.54 -0.06 1.49 1.01 -1.05 -4.93 120.40 114.83 3hrz s VAL 297 Ca -0.16 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3hrz s VAL 297 Cb 0.07 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 3hrz s VAL 297 CO 0.80 0.19 -0.10 -0.54 0.00 0.00 0.00 175.10 175.45 3hrz s LYS 298 N 0.34 2.64 0.64 2.72 1.02 -1.26 -1.22 119.74 124.61 3hrz s LYS 298 Ca -0.04 -0.62 0.30 0.00 0.02 0.00 0.00 55.97 55.63 3hrz s LYS 298 Cb -0.08 -2.50 1.62 0.00 -0.52 0.00 0.00 37.83 36.35 3hrz s LYS 298 CO 0.00 0.65 1.95 -0.39 -0.92 0.00 0.00 175.35 176.64 3hrz h VAL 299 N 4.26 0.16 0.00 3.17 -1.51 -1.88 -0.40 116.25 120.04 3hrz h VAL 299 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 3hrz h VAL 299 Cb 1.16 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 3hrz h VAL 299 CO 0.52 0.00 -0.04 -1.54 -1.23 0.00 0.00 177.57 175.27 3hrz n SER 300 N -3.24 0.43 -4.78 4.19 3.41 -1.26 -4.81 113.62 107.57 3hrz n SER 300 Ca 0.01 0.49 -0.35 0.00 -0.26 0.00 0.00 58.87 58.76 3hrz n SER 300 Cb 0.44 -0.58 -0.01 0.00 -0.26 0.00 0.00 64.21 63.80 3hrz n SER 300 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3hrz s GLU 301 N -3.05 3.51 0.33 4.33 2.02 -0.16 -4.94 118.70 120.73 3hrz s GLU 301 Ca 0.12 1.58 0.03 0.00 0.02 0.00 0.00 54.97 56.72 3hrz s GLU 301 Cb 0.16 -2.08 0.57 0.00 0.10 0.00 0.00 34.13 32.87 3hrz s GLU 301 CO 0.58 -0.71 1.88 0.00 0.02 0.00 0.00 175.26 177.03 3hrz h ALA 302 N 1.40 1.36 -0.03 5.21 0.00 -1.88 -2.52 119.26 122.81 3hrz h ALA 302 Ca -0.50 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3hrz h ALA 302 Cb 1.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3hrz h ALA 302 CO 0.58 0.45 0.00 -0.25 0.00 0.00 0.00 179.25 180.03 3hrz n ASP 303 N -4.30 0.75 0.29 0.00 8.00 -1.26 -4.16 116.55 115.87 3hrz n ASP 303 Ca 0.03 -1.34 0.19 0.00 0.71 0.00 0.00 54.79 54.37 3hrz n ASP 303 Cb 0.22 -0.02 0.90 0.00 -0.02 0.00 0.00 41.12 42.20 3hrz n ASP 303 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3hrz h SER 304 N 1.11 0.00 -0.56 -2.24 4.64 -1.70 0.16 113.55 114.95 3hrz h SER 304 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hrz h SER 304 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3hrz h SER 304 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 3hrz n SER 305 N -3.01 4.27 -4.22 4.97 3.41 -1.26 -0.16 113.62 117.62 3hrz n SER 305 Ca -0.01 -2.42 -0.42 0.00 -0.26 0.00 0.00 58.87 55.77 3hrz n SER 305 Cb 0.19 -0.55 -0.06 0.00 -0.26 0.00 0.00 64.21 63.53 3hrz n SER 305 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hrz s ASN 306 N -0.83 5.98 0.28 4.04 3.84 0.55 -4.80 114.94 124.00 3hrz s ASN 306 Ca 0.45 -2.52 0.00 0.00 0.21 0.00 0.00 52.86 51.00 3hrz s ASN 306 Cb 0.29 -2.05 0.64 0.00 -0.55 0.00 0.00 41.25 39.59 3hrz s ASN 306 CO 0.21 -0.55 1.67 0.00 -2.79 0.00 0.00 177.10 175.64 3hrz h ALA 307 N 7.74 1.23 -0.23 1.71 0.00 -1.88 0.43 119.26 128.25 3hrz h ALA 307 Ca -0.03 0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3hrz h ALA 307 Cb 1.02 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3hrz h ALA 307 CO 0.78 -0.39 -0.23 -0.44 0.00 0.00 0.00 179.25 178.97 3hrz h ASP 308 N 0.28 0.43 0.64 0.00 3.32 -1.95 0.21 116.42 119.35 3hrz h ASP 308 Ca 0.51 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.40 3hrz h ASP 308 Cb 0.98 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.42 3hrz h ASP 308 CO -0.58 0.66 -0.31 -0.25 -1.72 0.00 0.00 179.24 177.04 3hrz h TRP 309 N 0.39 -0.80 -0.70 4.55 2.91 -0.57 -0.63 115.95 121.10 3hrz h TRP 309 Ca 0.06 -0.02 0.14 0.00 1.13 0.00 0.00 58.89 60.20 3hrz h TRP 309 Cb 0.61 0.26 -0.10 0.00 -0.51 0.00 0.00 29.16 29.43 3hrz h TRP 309 CO 0.02 -0.46 0.21 0.28 -1.03 0.00 0.00 178.44 177.46 3hrz h VAL 310 N -1.14 0.61 -0.77 2.65 2.07 -0.88 -0.47 116.25 118.32 3hrz h VAL 310 Ca -0.09 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3hrz h VAL 310 Cb 0.69 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3hrz h VAL 310 CO 0.14 0.06 0.48 0.74 0.02 0.00 0.00 177.57 179.01 3hrz h THR 311 N 0.34 1.21 -0.17 2.57 2.02 -0.59 -0.60 112.91 117.68 3hrz h THR 311 Ca 0.38 -0.43 0.02 0.00 0.77 0.00 0.00 66.41 67.15 3hrz h THR 311 Cb 0.60 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3hrz h THR 311 CO -0.43 0.21 0.03 0.11 0.37 0.00 0.00 175.52 175.81 3hrz h LYS 312 N 1.04 0.09 -0.61 6.66 1.57 0.37 -1.77 116.57 123.94 3hrz h LYS 312 Ca 0.28 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3hrz h LYS 312 Cb -0.07 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3hrz h LYS 312 CO -0.05 0.06 0.37 1.96 -0.57 0.00 0.00 179.45 181.22 3hrz h GLN 313 N 0.10 0.82 -0.80 3.15 1.08 -0.72 -2.06 115.11 116.68 3hrz h GLN 313 Ca 0.08 -0.07 0.10 0.00 -1.45 0.00 0.00 58.65 57.30 3hrz h GLN 313 Cb 0.07 -0.17 -0.07 0.00 -0.05 0.00 0.00 27.48 27.26 3hrz h GLN 313 CO -0.11 0.59 0.44 1.25 -0.95 0.00 0.00 178.83 180.05 3hrz h LEU 314 N 0.82 0.61 0.00 1.46 5.85 -0.93 0.37 115.31 123.50 3hrz h LEU 314 Ca 0.22 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3hrz h LEU 314 Cb -0.03 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3hrz h LEU 314 CO -0.04 0.35 0.00 0.59 -0.34 0.00 0.00 178.44 179.00 3hrz n ASN 315 N -4.78 0.00 0.14 1.25 3.02 -0.68 -2.58 115.26 111.63 3hrz n ASN 315 Ca 0.13 0.25 -0.25 0.00 -0.03 0.00 0.00 54.58 54.68 3hrz n ASN 315 Cb 0.28 -0.38 -0.16 0.00 -0.61 0.00 0.00 39.78 38.91 3hrz n ASN 315 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3hrz h GLU 316 N 0.00 0.53 -6.22 3.52 4.39 0.15 -3.47 114.58 113.48 3hrz h GLU 316 Ca 0.00 -0.91 -0.69 0.00 0.34 0.00 0.00 59.36 58.10 3hrz h GLU 316 Cb 0.22 0.34 0.06 0.00 -0.10 0.00 0.00 28.75 29.27 3hrz h GLU 316 CO 0.00 1.43 0.27 -0.89 -1.16 0.00 0.00 179.01 178.67 3hrz n ILE 317 N -3.70 0.36 -5.24 3.13 2.08 -1.06 -4.97 119.36 109.94 3hrz n ILE 317 Ca -0.18 -0.09 -0.32 0.00 0.56 0.00 0.00 62.75 62.73 3hrz n ILE 317 Cb 1.11 -0.62 -0.16 0.00 -0.75 0.00 0.00 39.64 39.21 3hrz n ILE 317 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3hrz s ASN 318 N 0.17 3.12 0.39 4.38 3.84 -1.26 -5.01 114.94 120.56 3hrz s ASN 318 Ca 0.81 -0.50 0.07 0.00 0.21 0.00 0.00 52.86 53.46 3hrz s ASN 318 Cb -0.99 -0.88 0.82 0.00 -0.55 0.00 0.00 41.25 39.65 3hrz s ASN 318 CO 0.51 0.24 2.00 0.22 -2.79 0.00 0.00 177.10 177.28 3hrz h TYR 319 N 6.09 0.63 0.00 0.43 3.20 -1.95 -0.80 116.97 124.56 3hrz h TYR 319 Ca -0.31 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.57 3hrz h TYR 319 Cb 1.18 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.24 3hrz h TYR 319 CO 0.43 0.35 0.08 0.93 -1.64 0.00 0.00 178.16 178.32 3hrz h GLU 320 N 0.64 0.00 0.00 1.82 4.39 -1.96 -2.77 114.58 116.70 3hrz h GLU 320 Ca 0.25 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 3hrz h GLU 320 Cb 0.18 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3hrz h GLU 320 CO -0.07 0.00 -0.08 -0.44 -1.16 0.00 0.00 179.01 177.26 3hrz h ASP 321 N 0.00 0.00 -0.09 1.42 3.32 -1.55 -1.99 116.42 117.53 3hrz h ASP 321 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3hrz h ASP 321 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3hrz h ASP 321 CO 0.00 0.08 -0.04 1.41 -1.72 0.00 0.00 179.24 178.97 3hrz n HIS 322 N -3.53 0.33 0.05 4.55 8.25 -1.04 -4.77 115.22 119.05 3hrz n HIS 322 Ca -0.02 -1.03 0.00 0.00 -0.26 0.00 0.00 57.72 56.41 3hrz n HIS 322 Cb 0.21 -0.22 0.32 0.00 1.12 0.00 0.00 29.99 31.42 3hrz n HIS 322 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3hrz h LYS 323 N 0.64 0.39 0.16 -0.41 3.64 -1.47 -3.19 116.57 116.34 3hrz h LYS 323 Ca 0.01 -0.10 -0.26 0.00 -1.27 0.00 0.00 60.65 59.03 3hrz h LYS 323 Cb 1.16 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.95 3hrz h LYS 323 CO 0.08 0.50 -1.24 1.25 -2.27 0.00 0.00 179.45 177.77 3hrz h LEU 324 N 0.37 0.54 -7.17 5.20 5.85 -1.86 -3.40 115.31 114.84 3hrz h LEU 324 Ca 0.07 -0.91 -0.63 0.00 0.84 0.00 0.00 57.88 57.25 3hrz h LEU 324 Cb 0.41 -0.18 -0.41 0.00 0.37 0.00 0.00 40.66 40.85 3hrz h LEU 324 CO 0.02 1.57 -0.54 -0.54 -0.34 0.00 0.00 178.44 178.61 3hrz s LYS 325 N -2.49 2.43 -0.25 1.25 1.02 -1.22 -4.94 119.74 115.54 3hrz s LYS 325 Ca -0.15 -3.19 0.12 0.00 0.02 0.00 0.00 55.97 52.78 3hrz s LYS 325 Cb 0.03 -3.45 0.56 0.00 -0.52 0.00 0.00 37.83 34.45 3hrz s LYS 325 CO 0.84 -1.25 1.52 -1.13 -0.92 0.00 0.00 175.35 174.41 3hrz n SER 326 N 2.25 3.53 -2.77 2.83 3.41 -1.21 -2.02 113.62 119.65 3hrz n SER 326 Ca 0.17 -3.34 -0.09 0.00 -0.26 0.00 0.00 58.87 55.35 3hrz n SER 326 Cb 0.35 -0.62 0.07 0.00 -0.26 0.00 0.00 64.21 63.75 3hrz n SER 326 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hrz n GLY 327 N -0.71 -2.28 2.60 5.00 0.00 -1.26 -1.24 105.19 107.30 3hrz n GLY 327 Ca 0.30 -1.51 -0.28 0.00 0.00 0.00 0.00 46.02 44.54 3hrz n GLY 327 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hrz s THR 328 N -1.65 1.36 -1.14 2.61 2.01 -1.26 -2.03 115.64 115.53 3hrz s THR 328 Ca 0.22 -3.23 -0.10 0.00 0.31 0.00 0.00 61.69 58.89 3hrz s THR 328 Cb -0.02 -1.91 0.25 0.00 0.01 0.00 0.00 72.50 70.83 3hrz s THR 328 CO 0.16 -1.12 1.25 -3.20 -0.69 0.00 0.00 174.62 171.02 3hrz n ASN 329 N 2.59 5.52 -0.11 3.53 2.85 -0.89 -0.99 115.26 127.75 3hrz n ASN 329 Ca 0.24 -3.06 -0.03 0.00 -0.11 0.00 0.00 54.58 51.62 3hrz n ASN 329 Cb 0.42 -1.42 0.18 0.00 1.24 0.00 0.00 39.78 40.20 3hrz n ASN 329 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3hrz h THR 330 N 3.87 1.23 -0.54 -0.44 2.02 -1.86 -2.61 112.91 114.59 3hrz h THR 330 Ca 0.22 -0.90 0.08 0.00 0.77 0.00 0.00 66.41 66.58 3hrz h THR 330 Cb 0.84 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 3hrz h THR 330 CO 1.12 0.33 0.20 0.50 0.37 0.00 0.00 175.52 178.04 3hrz h LYS 331 N 0.76 0.37 -0.62 6.66 3.64 -1.82 -1.16 116.57 124.39 3hrz h LYS 331 Ca 0.16 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 3hrz h LYS 331 Cb 0.37 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3hrz h LYS 331 CO 0.01 0.25 0.09 -0.22 -2.27 0.00 0.00 179.45 177.30 3hrz h LYS 332 N 0.38 1.04 -0.49 1.90 3.64 -1.80 0.11 116.57 121.35 3hrz h LYS 332 Ca 0.26 -0.29 0.08 0.00 -1.27 0.00 0.00 60.65 59.43 3hrz h LYS 332 Cb 0.29 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 31.93 3hrz h LYS 332 CO -0.26 0.98 0.13 0.00 -2.27 0.00 0.00 179.45 178.02 3hrz h ALA 333 N 1.02 0.57 -0.06 5.00 0.00 -1.10 -2.10 119.26 122.59 3hrz h ALA 333 Ca 0.19 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 3hrz h ALA 333 Cb 0.45 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3hrz h ALA 333 CO 0.01 -0.27 -0.48 -0.07 0.00 0.00 0.00 179.25 178.44 3hrz h LEU 334 N 0.28 0.16 -1.58 0.00 3.38 -0.68 -2.23 115.31 114.63 3hrz h LEU 334 Ca 0.24 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3hrz h LEU 334 Cb 0.29 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3hrz h LEU 334 CO -0.29 0.61 -0.12 1.56 0.09 0.00 0.00 178.44 180.30 3hrz h GLN 335 N 0.12 0.12 -0.23 1.13 4.20 -0.40 -0.61 115.11 119.43 3hrz h GLN 335 Ca 0.00 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 3hrz h GLN 335 Cb 0.89 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 3hrz h GLN 335 CO 0.07 0.25 -0.23 0.00 -0.67 0.00 0.00 178.83 178.25 3hrz h ALA 336 N 1.77 1.20 -0.25 3.87 0.00 -0.76 -0.35 119.26 124.73 3hrz h ALA 336 Ca 0.02 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 3hrz h ALA 336 Cb 0.29 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hrz h ALA 336 CO 0.02 0.52 -0.23 0.28 0.00 0.00 0.00 179.25 179.84 3hrz h VAL 337 N 0.37 1.31 -0.30 0.00 2.07 -1.16 -2.67 116.25 115.88 3hrz h VAL 337 Ca 0.06 -1.38 0.02 0.00 0.82 0.00 0.00 66.70 66.22 3hrz h VAL 337 Cb 0.60 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 3hrz h VAL 337 CO 0.04 0.43 0.14 0.22 0.02 0.00 0.00 177.57 178.43 3hrz h TYR 338 N 0.32 0.26 -0.54 1.57 3.20 -0.91 -2.25 116.97 118.62 3hrz h TYR 338 Ca 0.04 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.96 3hrz h TYR 338 Cb 0.78 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.94 3hrz h TYR 338 CO 0.07 0.14 0.36 0.77 -1.64 0.00 0.00 178.16 177.86 3hrz h SER 339 N 0.30 0.52 0.62 -2.11 0.02 -1.04 0.12 113.55 111.98 3hrz h SER 339 Ca 0.12 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 3hrz h SER 339 Cb 0.05 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3hrz h SER 339 CO -0.09 0.35 -0.20 0.24 -1.14 0.00 0.00 176.83 176.00 3hrz h MET 340 N 0.60 0.00 0.00 3.45 2.86 -1.05 -3.17 114.93 117.61 3hrz h MET 340 Ca 0.22 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.73 3hrz h MET 340 Cb 0.13 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3hrz h MET 340 CO -0.06 0.20 -1.36 -1.33 1.06 0.00 0.00 176.91 175.42 3hrz n MET 341 N -3.56 0.62 -1.61 1.72 2.00 0.29 -4.90 117.12 111.68 3hrz n MET 341 Ca -0.01 0.18 -0.29 0.00 0.00 0.00 0.00 57.70 57.59 3hrz n MET 341 Cb 0.34 -1.80 0.12 0.00 0.00 0.00 0.00 33.22 31.89 3hrz n MET 341 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3hrz s SER 342 N -5.64 3.75 0.06 7.83 1.04 -0.44 -5.07 113.70 115.22 3hrz s SER 342 Ca -0.03 0.94 0.01 0.00 0.48 0.00 0.00 55.95 57.36 3hrz s SER 342 Cb 0.09 -1.51 -0.03 0.00 0.10 0.00 0.00 66.02 64.67 3hrz s SER 342 CO 0.81 -2.40 -0.06 -1.66 0.98 0.00 0.00 173.24 170.91 3hrz s TRP 343 N -3.33 0.65 0.11 5.02 -2.14 -1.26 -5.02 118.94 112.96 3hrz s TRP 343 Ca 0.63 -0.73 -0.26 0.00 2.66 0.00 0.00 56.10 58.41 3hrz s TRP 343 Cb -0.14 -0.40 -0.09 0.00 -3.10 0.00 0.00 33.47 29.73 3hrz s TRP 343 CO 0.52 -0.17 1.67 -1.35 -2.66 0.00 0.00 176.95 174.96 3hrz h PRO 344 N 3.81 -0.34 -0.44 3.25 0.11 -2.00 -3.49 132.00 132.90 3hrz h PRO 344 Ca -0.35 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.75 3hrz h PRO 344 Cb 1.18 0.08 0.02 0.00 0.11 0.00 0.00 31.00 32.39 3hrz h PRO 344 CO 0.52 -0.23 -0.15 1.33 -0.21 0.00 0.00 178.00 179.26 3hrz n VAL 347 N -5.31 0.00 -3.04 3.15 0.24 -1.26 -5.00 118.33 107.10 3hrz n VAL 347 Ca -0.07 -0.03 -0.39 0.00 -2.04 0.00 0.00 64.34 61.82 3hrz n VAL 347 Cb 0.23 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.54 3hrz n VAL 347 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 3hrz s PRO 348 N -0.15 4.48 0.68 7.34 0.02 -1.26 -5.04 135.00 141.07 3hrz s PRO 348 Ca 0.03 1.06 -0.17 0.00 0.02 0.00 0.00 61.00 61.94 3hrz s PRO 348 Cb -0.01 -3.22 -0.00 0.00 0.02 0.00 0.00 34.50 31.29 3hrz s PRO 348 CO 0.06 0.57 1.08 -2.30 -0.33 0.00 0.00 177.00 176.07 3hrz n PRO 349 N 1.52 0.74 -1.64 5.54 -0.02 -1.26 -4.90 135.00 134.98 3hrz n PRO 349 Ca -0.06 0.31 -0.48 0.00 -2.02 0.00 0.00 63.50 61.25 3hrz n PRO 349 Cb 0.49 -2.31 -0.05 0.00 -0.02 0.00 0.00 33.50 31.61 3hrz n PRO 349 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3hrz n GLU 350 N -1.80 1.76 -1.96 -0.52 4.07 -1.26 -2.28 120.64 118.65 3hrz n GLU 350 Ca 0.14 0.63 -0.10 0.00 -0.06 0.00 0.00 57.16 57.77 3hrz n GLU 350 Cb 0.49 -2.33 -0.02 0.00 -0.06 0.00 0.00 31.44 29.52 3hrz n GLU 350 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hrz n GLY 351 N 2.89 0.27 0.27 8.31 0.00 -1.26 -4.91 105.19 110.75 3hrz n GLY 351 Ca 0.17 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 3hrz n GLY 351 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3hrz h TRP 352 N 0.00 1.07 0.00 1.61 5.08 -1.81 -2.93 115.95 118.97 3hrz h TRP 352 Ca -0.24 -0.25 0.00 0.00 1.08 0.00 0.00 58.89 59.49 3hrz h TRP 352 Cb 1.05 -0.25 0.00 0.00 -3.00 0.00 0.00 29.16 26.96 3hrz h TRP 352 CO 0.28 1.04 0.00 0.27 -1.28 0.00 0.00 178.44 178.75 3hrz n ASN 353 N -4.19 0.20 -0.00 0.11 6.94 -1.26 -2.98 115.26 114.08 3hrz n ASN 353 Ca -0.00 -1.67 0.04 0.00 -0.02 0.00 0.00 54.58 52.92 3hrz n ASN 353 Cb 0.42 -0.10 -0.06 0.00 -2.36 0.00 0.00 39.78 37.69 3hrz n ASN 353 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 3hrz n ARG 354 N -0.36 0.23 -2.93 -3.83 0.63 -1.11 -5.01 116.66 104.29 3hrz n ARG 354 Ca 0.00 -0.07 -0.37 0.00 -0.92 0.00 0.00 57.85 56.49 3hrz n ARG 354 Cb 0.05 -1.17 -0.06 0.00 0.45 0.00 0.00 32.46 31.73 3hrz n ARG 354 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3hrz s THR 355 N -2.50 4.35 -0.15 5.15 2.01 -1.16 -4.17 115.64 119.17 3hrz s THR 355 Ca -0.03 1.64 -0.05 0.00 0.31 0.00 0.00 61.69 63.57 3hrz s THR 355 Cb 0.05 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 3hrz s THR 355 CO 0.30 0.27 0.00 -0.60 -0.69 0.00 0.00 174.62 173.90 3hrz s ARG 356 N -1.78 3.63 -0.15 4.92 3.52 -0.65 -4.88 118.95 123.57 3hrz s ARG 356 Ca 0.44 -0.44 -0.01 0.00 -0.13 0.00 0.00 55.73 55.59 3hrz s ARG 356 Cb -0.19 -2.99 -0.01 0.00 -1.56 0.00 0.00 34.95 30.20 3hrz s ARG 356 CO 0.24 0.35 -0.11 -1.01 -0.81 0.00 0.00 175.30 173.95 3hrz s HIS 357 N 0.10 2.84 -0.17 5.12 3.76 -0.35 -0.57 115.29 126.03 3hrz s HIS 357 Ca 0.02 -0.70 0.01 0.00 -0.15 0.00 0.00 55.06 54.24 3hrz s HIS 357 Cb -0.13 -1.89 0.03 0.00 1.11 0.00 0.00 32.58 31.70 3hrz s HIS 357 CO 0.02 -0.27 -0.13 0.08 -0.85 0.00 0.00 174.74 173.60 3hrz s VAL 358 N 0.54 1.63 -0.25 -0.90 1.01 0.51 -1.07 120.40 121.86 3hrz s VAL 358 Ca -0.08 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 3hrz s VAL 358 Cb -0.15 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 3hrz s VAL 358 CO 0.04 0.33 0.17 -0.63 0.00 0.00 0.00 175.10 175.00 3hrz s ILE 359 N 1.44 5.32 -0.47 2.22 1.01 0.28 0.07 121.20 131.07 3hrz s ILE 359 Ca 0.02 0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.74 3hrz s ILE 359 Cb -0.14 -3.50 0.12 0.00 0.01 0.00 0.00 42.46 38.95 3hrz s ILE 359 CO -0.10 0.32 0.35 -0.63 0.00 0.00 0.00 174.94 174.88 3hrz s ILE 360 N 1.29 4.24 -0.22 2.92 -1.09 0.63 -0.64 121.20 128.33 3hrz s ILE 360 Ca 0.07 -1.76 -0.08 0.00 -2.23 0.00 0.00 60.65 56.65 3hrz s ILE 360 Cb -0.14 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 3hrz s ILE 360 CO 0.07 -0.77 0.10 -0.22 -1.23 0.00 0.00 174.94 172.89 3hrz s LEU 361 N 1.37 3.82 -0.27 2.97 2.96 0.96 -0.95 118.68 129.55 3hrz s LEU 361 Ca 0.06 0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 53.98 3hrz s LEU 361 Cb -0.26 -2.00 0.04 0.00 0.50 0.00 0.00 46.19 44.47 3hrz s LEU 361 CO -0.01 0.08 -0.06 -0.04 -1.32 0.00 0.00 176.35 175.01 3hrz s MET 362 N 0.94 2.53 0.19 1.98 -1.94 0.08 -0.54 119.30 122.54 3hrz s MET 362 Ca 0.05 -1.18 -0.20 0.00 -1.71 0.00 0.00 55.69 52.65 3hrz s MET 362 Cb -0.14 -3.01 0.04 0.00 2.01 0.00 0.00 34.83 33.74 3hrz s MET 362 CO 0.03 -0.52 0.58 -0.08 -0.01 0.00 0.00 175.02 175.02 3hrz s THR 363 N 1.23 0.02 -2.45 2.05 -1.32 -1.09 -0.90 115.64 113.18 3hrz s THR 363 Ca -0.04 -0.52 0.25 0.00 -1.21 0.00 0.00 61.69 60.17 3hrz s THR 363 Cb -0.19 -1.41 0.50 0.00 -1.51 0.00 0.00 72.50 69.89 3hrz s THR 363 CO -0.04 -0.07 1.64 -0.90 -2.21 0.00 0.00 174.62 173.05 3hrz n ASP 364 N -0.37 1.69 0.00 8.08 5.68 -1.09 -2.05 116.55 128.49 3hrz n ASP 364 Ca -0.12 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.56 3hrz n ASP 364 Cb 0.63 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 3hrz n ASP 364 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hrz n GLY 365 N 1.18 0.42 2.62 6.12 0.00 -1.26 -0.48 105.19 113.79 3hrz n GLY 365 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3hrz n GLY 365 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hrz n LEU 366 N 0.00 7.49 -4.76 0.99 4.77 -1.26 -4.75 117.00 119.49 3hrz n LEU 366 Ca 0.00 -5.01 -0.38 0.00 -0.03 0.00 0.00 56.01 50.60 3hrz n LEU 366 Cb 0.12 -1.22 0.02 0.00 -2.33 0.00 0.00 43.42 40.01 3hrz n LEU 366 CO 0.00 1.97 0.92 -1.38 -1.33 0.00 0.00 177.39 177.57 3hrz s HIS 367 N -3.07 2.50 0.00 -1.77 -3.43 -1.26 -4.84 115.29 103.42 3hrz s HIS 367 Ca 0.48 1.44 0.00 0.00 -0.80 0.00 0.00 55.06 56.18 3hrz s HIS 367 Cb 0.25 -3.63 0.00 0.00 -1.43 0.00 0.00 32.58 27.77 3hrz s HIS 367 CO -0.18 -2.37 0.24 0.27 -2.00 0.00 0.00 174.74 170.71 3hrz n ASN 368 N -0.87 0.00 -3.85 7.38 0.23 -0.16 -5.02 115.26 112.97 3hrz n ASN 368 Ca 0.09 -1.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.03 3hrz n ASN 368 Cb 0.46 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.06 3hrz n ASN 368 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3hrz s MET 369 N 0.00 0.40 0.00 -3.83 -1.94 -1.14 -4.90 119.30 107.88 3hrz s MET 369 Ca 0.00 -0.17 0.00 0.00 -1.71 0.00 0.00 55.69 53.81 3hrz s MET 369 Cb 0.00 0.17 0.00 0.00 2.01 0.00 0.00 34.83 37.01 3hrz s MET 369 CO 0.00 -0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.33 3hrz n GLY 370 N 1.96 1.78 3.68 -0.03 0.00 -1.26 -4.13 105.19 107.19 3hrz n GLY 370 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3hrz n GLY 370 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrz n GLY 371 N -2.00 -1.51 3.62 -0.02 0.00 -1.26 -4.81 105.19 99.21 3hrz n GLY 371 Ca 0.00 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 3hrz n GLY 371 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hrz s ASP 372 N -4.00 6.67 0.58 1.61 -1.08 -1.26 -4.64 116.67 114.55 3hrz s ASP 372 Ca 0.00 0.99 0.32 0.00 -0.52 0.00 0.00 52.55 53.33 3hrz s ASP 372 Cb 0.00 -2.54 1.78 0.00 -1.46 0.00 0.00 42.92 40.70 3hrz s ASP 372 CO 0.00 -1.12 2.20 -0.65 0.52 0.00 0.00 175.17 176.12 3hrz h PRO 373 N 9.24 0.00 -0.54 4.34 0.11 -1.93 -2.94 132.00 140.29 3hrz h PRO 373 Ca -0.25 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.01 3hrz h PRO 373 Cb 1.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3hrz h PRO 373 CO 1.06 0.04 0.38 0.82 -0.21 0.00 0.00 178.00 180.09 3hrz h ILE 374 N 0.00 0.75 -0.02 4.15 2.04 -1.92 -0.10 117.51 122.42 3hrz h ILE 374 Ca -0.00 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 3hrz h ILE 374 Cb 0.14 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3hrz h ILE 374 CO 0.01 0.01 -0.15 0.71 0.00 0.00 0.00 178.15 178.73 3hrz h THR 375 N 0.05 1.12 -0.37 -0.27 1.35 -1.94 -1.50 112.91 111.35 3hrz h THR 375 Ca 0.26 -0.55 -0.14 0.00 -0.55 0.00 0.00 66.41 65.43 3hrz h THR 375 Cb 0.95 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 3hrz h THR 375 CO -0.02 0.16 -0.34 0.58 -0.25 0.00 0.00 175.52 175.65 3hrz h VAL 376 N 0.02 1.28 -0.62 6.82 2.07 -1.23 -2.02 116.25 122.56 3hrz h VAL 376 Ca 0.00 -1.50 0.05 0.00 0.82 0.00 0.00 66.70 66.07 3hrz h VAL 376 Cb 0.28 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 3hrz h VAL 376 CO 0.02 0.50 0.34 0.40 0.02 0.00 0.00 177.57 178.85 3hrz h ILE 377 N 0.70 0.96 -0.65 4.57 1.08 -1.28 0.83 117.51 123.73 3hrz h ILE 377 Ca 0.07 -0.22 -0.09 0.00 -0.39 0.00 0.00 64.86 64.23 3hrz h ILE 377 Cb 0.90 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 34.90 3hrz h ILE 377 CO 0.08 0.12 0.06 0.44 -0.69 0.00 0.00 178.15 178.16 3hrz h ASP 378 N 0.63 1.06 -0.60 1.72 3.32 -1.24 -0.28 116.42 121.04 3hrz h ASP 378 Ca 0.28 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hrz h ASP 378 Cb 0.17 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3hrz h ASP 378 CO -0.18 1.08 0.37 -0.33 -1.72 0.00 0.00 179.24 178.47 3hrz h GLU 379 N 1.01 0.80 -0.84 3.56 5.08 -0.60 -0.17 114.58 123.42 3hrz h GLU 379 Ca 0.19 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3hrz h GLU 379 Cb 0.50 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 3hrz h GLU 379 CO 0.02 0.55 0.44 0.82 -1.00 0.00 0.00 179.01 179.84 3hrz h ILE 380 N 0.81 1.25 -0.65 3.13 2.04 -0.45 0.13 117.51 123.77 3hrz h ILE 380 Ca 0.22 -0.65 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 3hrz h ILE 380 Cb -0.05 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.14 3hrz h ILE 380 CO -0.04 0.29 0.21 0.03 0.00 0.00 0.00 178.15 178.64 3hrz h ARG 381 N 1.18 0.99 -0.48 2.37 3.08 -0.65 -1.02 114.38 119.84 3hrz h ARG 381 Ca 0.29 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3hrz h ARG 381 Cb 0.06 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3hrz h ARG 381 CO -0.04 0.84 0.22 -0.44 -1.07 0.00 0.00 179.97 179.48 3hrz h ASP 382 N 0.96 0.64 -0.31 7.04 3.32 -0.43 0.11 116.42 127.73 3hrz h ASP 382 Ca 0.21 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3hrz h ASP 382 Cb 0.26 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3hrz h ASP 382 CO -0.01 0.59 0.07 0.25 -1.72 0.00 0.00 179.24 178.42 3hrz h LEU 383 N 0.63 0.48 -0.23 1.55 5.85 -0.22 -2.68 115.31 120.70 3hrz h LEU 383 Ca 0.16 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3hrz h LEU 383 Cb 0.13 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3hrz h LEU 383 CO -0.02 0.60 0.00 0.18 -0.34 0.00 0.00 178.44 178.86 3hrz n LEU 384 N -4.64 0.35 -3.32 2.25 4.77 -0.44 -4.92 117.00 111.07 3hrz n LEU 384 Ca -0.02 -0.12 -0.19 0.00 -0.03 0.00 0.00 56.01 55.65 3hrz n LEU 384 Cb 0.20 -0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.37 3hrz n LEU 384 CO 0.38 0.06 0.16 0.00 -1.33 0.00 0.00 177.39 176.65 3hrz n TYR 385 N -0.72 -2.32 -3.82 -1.77 9.36 -0.55 -4.99 117.16 112.35 3hrz n TYR 385 Ca 0.23 0.91 -0.35 0.00 3.32 0.00 0.00 57.90 62.00 3hrz n TYR 385 Cb 0.17 -4.83 -0.08 0.00 -0.63 0.00 0.00 39.34 33.97 3hrz n TYR 385 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3hrz s ILE 386 N -3.32 5.29 -0.77 2.97 1.01 0.26 -4.45 121.20 122.20 3hrz s ILE 386 Ca 0.24 0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.99 3hrz s ILE 386 Cb -0.10 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 38.98 3hrz s ILE 386 CO 0.68 0.48 0.51 0.61 0.00 0.00 0.00 174.94 177.22 3hrz n GLY 387 N 3.21 0.11 0.01 6.18 0.00 0.12 -4.66 105.19 110.15 3hrz n GLY 387 Ca -0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 3hrz n GLY 387 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hrz n LYS 388 N -2.75 1.20 -3.65 1.61 5.02 -1.26 -4.95 118.16 113.38 3hrz n LYS 388 Ca -0.02 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.88 3hrz n LYS 388 Cb 0.55 -1.02 -0.11 0.00 -0.02 0.00 0.00 35.03 34.43 3hrz n LYS 388 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hrz s ASP 389 N -3.80 5.53 0.47 4.39 -1.08 -1.26 -4.95 116.67 115.97 3hrz s ASP 389 Ca -0.01 -1.53 0.32 0.00 -0.52 0.00 0.00 52.55 50.81 3hrz s ASP 389 Cb 0.00 -1.94 1.71 0.00 -1.46 0.00 0.00 42.92 41.23 3hrz s ASP 389 CO 0.03 -0.51 1.98 0.03 0.52 0.00 0.00 175.17 177.22 3hrz h ARG 390 N 8.33 0.00 0.00 4.34 3.08 -1.96 0.58 114.38 128.75 3hrz h ARG 390 Ca -0.22 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 3hrz h ARG 390 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 3hrz h ARG 390 CO 0.73 0.00 -0.31 -0.22 -1.07 0.00 0.00 179.97 179.10 3hrz h LYS 391 N 0.00 0.00 -1.49 0.04 3.64 -2.04 -3.40 116.57 113.33 3hrz h LYS 391 Ca 0.00 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.01 3hrz h LYS 391 Cb 0.04 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 31.60 3hrz h LYS 391 CO 0.00 0.16 -0.74 -1.71 -2.27 0.00 0.00 179.45 174.89 3hrz n ASN 392 N -3.09 -1.89 0.28 4.20 5.15 0.19 -5.02 115.26 115.08 3hrz n ASN 392 Ca 0.02 -2.74 0.14 0.00 -0.60 0.00 0.00 54.58 51.40 3hrz n ASN 392 Cb 0.61 0.65 0.84 0.00 -0.53 0.00 0.00 39.78 41.35 3hrz n ASN 392 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3hrz h PRO 393 N 4.99 0.00 -1.19 1.20 0.11 -1.41 -3.39 132.00 132.32 3hrz h PRO 393 Ca 0.11 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.81 3hrz h PRO 393 Cb 1.00 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.96 3hrz h PRO 393 CO 0.23 0.04 -0.39 0.54 -0.21 0.00 0.00 178.00 178.21 3hrz n ARG 394 N -3.80 -1.43 0.31 1.05 1.74 -1.26 0.11 116.66 113.37 3hrz n ARG 394 Ca -0.03 1.19 0.20 0.00 -0.77 0.00 0.00 57.85 58.44 3hrz n ARG 394 Cb 0.13 -5.58 1.00 0.00 -1.02 0.00 0.00 32.46 27.00 3hrz n ARG 394 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3hrz h GLU 395 N 0.00 0.00 0.00 5.56 4.39 -1.94 -2.21 114.58 120.38 3hrz h GLU 395 Ca -0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.28 3hrz h GLU 395 Cb 1.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 3hrz h GLU 395 CO 0.60 0.01 0.00 -0.44 -1.16 0.00 0.00 179.01 178.02 3hrz h ASP 396 N 0.00 0.00 -0.19 1.42 3.32 -2.01 -3.11 116.42 115.85 3hrz h ASP 396 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hrz h ASP 396 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3hrz h ASP 396 CO 0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 3hrz n TYR 397 N -2.34 0.23 -3.71 4.55 4.01 -0.83 -4.82 117.16 114.26 3hrz n TYR 397 Ca 0.01 -0.12 -0.13 0.00 -0.16 0.00 0.00 57.90 57.51 3hrz n TYR 397 Cb 0.18 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.08 3hrz n TYR 397 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3hrz s LEU 398 N -1.59 0.23 -0.08 7.72 2.96 -1.18 -1.21 118.68 125.53 3hrz s LEU 398 Ca 0.33 0.55 0.01 0.00 -0.22 0.00 0.00 54.13 54.80 3hrz s LEU 398 Cb 0.18 0.75 0.02 0.00 0.50 0.00 0.00 46.19 47.64 3hrz s LEU 398 CO 0.27 -0.18 -0.10 -1.81 -1.32 0.00 0.00 176.35 173.21 3hrz s ASP 399 N 1.53 1.89 -0.28 3.68 1.01 -0.23 -5.00 116.67 119.27 3hrz s ASP 399 Ca -0.07 -0.29 -0.03 0.00 0.71 0.00 0.00 52.55 52.87 3hrz s ASP 399 Cb -0.11 -0.81 0.03 0.00 1.01 0.00 0.00 42.92 43.04 3hrz s ASP 399 CO -0.09 -0.03 0.01 -0.69 0.21 0.00 0.00 175.17 174.58 3hrz s VAL 400 N 1.10 3.23 -0.13 -1.27 1.01 -1.26 -0.55 120.40 122.53 3hrz s VAL 400 Ca -0.06 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.78 3hrz s VAL 400 Cb -0.14 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 3hrz s VAL 400 CO -0.01 0.03 0.04 -0.31 0.00 0.00 0.00 175.10 174.85 3hrz s TYR 401 N 1.34 3.27 -0.12 5.22 2.02 0.19 -1.50 117.35 127.77 3hrz s TYR 401 Ca -0.01 0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.89 3hrz s TYR 401 Cb -0.18 -1.92 0.02 0.00 -0.40 0.00 0.00 41.96 39.48 3hrz s TYR 401 CO -0.01 0.39 -0.16 0.08 -1.57 0.00 0.00 175.55 174.28 3hrz s VAL 402 N -0.44 1.56 -0.19 0.71 1.01 -0.39 -0.03 120.40 122.62 3hrz s VAL 402 Ca 0.09 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 3hrz s VAL 402 Cb -0.12 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 3hrz s VAL 402 CO 0.02 0.45 -0.04 -0.36 0.00 0.00 0.00 175.10 175.17 3hrz s PHE 403 N 1.04 2.96 -0.13 5.22 0.08 0.29 -1.39 117.98 126.05 3hrz s PHE 403 Ca -0.05 -0.69 -0.29 0.00 0.12 0.00 0.00 56.93 56.01 3hrz s PHE 403 Cb -0.15 -2.05 -0.02 0.00 -0.57 0.00 0.00 43.02 40.23 3hrz s PHE 403 CO -0.03 -0.36 1.31 0.20 -0.10 0.00 0.00 175.22 176.25 3hrz s GLY 404 N 1.07 1.69 0.26 4.36 0.00 -0.08 -2.66 107.32 111.95 3hrz s GLY 404 Ca 0.01 0.56 0.05 0.00 0.00 0.00 0.00 44.72 45.34 3hrz s GLY 404 CO 0.00 2.53 -0.04 -1.34 0.00 0.00 0.00 173.10 174.26 3hrz s VAL 405 N 3.36 1.38 0.00 1.40 -7.23 -0.87 -4.60 120.40 113.84 3hrz s VAL 405 Ca 0.58 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 3hrz s VAL 405 Cb -0.24 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.31 3hrz s VAL 405 CO 0.18 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 3hrz n GLY 406 N -0.50 0.61 0.14 2.32 0.00 -1.26 -2.69 105.19 103.81 3hrz n GLY 406 Ca -0.05 -1.81 -0.03 0.00 0.00 0.00 0.00 46.02 44.13 3hrz n GLY 406 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hrz h PRO 407 N 0.00 0.08 -4.30 1.61 0.11 -1.80 -3.41 132.00 124.29 3hrz h PRO 407 Ca 0.00 -0.06 -0.59 0.00 0.11 0.00 0.00 66.00 65.46 3hrz h PRO 407 Cb 0.00 0.01 -0.38 0.00 0.11 0.00 0.00 31.00 30.74 3hrz h PRO 407 CO 0.00 0.69 -0.79 -1.17 -0.21 0.00 0.00 178.00 176.52 3hrz s LEU 408 N -7.67 2.23 -0.19 2.35 2.96 -1.26 -4.76 118.68 112.33 3hrz s LEU 408 Ca -0.02 -1.00 -0.09 0.00 -0.22 0.00 0.00 54.13 52.80 3hrz s LEU 408 Cb 0.12 -1.09 -0.05 0.00 0.50 0.00 0.00 46.19 45.67 3hrz s LEU 408 CO 0.78 -0.21 0.12 -0.69 -1.32 0.00 0.00 176.35 175.02 3hrz s VAL 409 N 1.48 5.28 -0.57 1.68 1.01 -1.26 -4.83 120.40 123.18 3hrz s VAL 409 Ca -0.03 0.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.87 3hrz s VAL 409 Cb -0.18 -3.40 0.06 0.00 0.00 0.00 0.00 36.38 32.87 3hrz s VAL 409 CO -0.07 0.45 0.84 0.21 0.00 0.00 0.00 175.10 176.54 3hrz s ASN 410 N 0.28 6.25 0.11 3.32 3.84 0.37 -4.95 114.94 124.17 3hrz s ASN 410 Ca 0.07 -0.77 -0.17 0.00 0.21 0.00 0.00 52.86 52.20 3hrz s ASN 410 Cb -0.11 -2.38 -0.04 0.00 -0.55 0.00 0.00 41.25 38.16 3hrz s ASN 410 CO -0.01 -1.19 1.62 1.56 -2.79 0.00 0.00 177.10 176.29 3hrz h GLN 411 N 9.29 0.51 -0.90 0.43 1.08 -1.95 -1.97 115.11 121.59 3hrz h GLN 411 Ca -0.28 -0.11 0.12 0.00 -1.45 0.00 0.00 58.65 56.93 3hrz h GLN 411 Cb 1.08 -0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 28.35 3hrz h GLN 411 CO 1.08 0.55 0.53 0.28 -0.95 0.00 0.00 178.83 180.32 3hrz h VAL 412 N 0.36 0.85 -0.03 -0.54 2.07 -1.92 -0.67 116.25 116.38 3hrz h VAL 412 Ca 0.10 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 3hrz h VAL 412 Cb 0.26 -0.03 0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3hrz h VAL 412 CO -0.00 0.15 -0.34 0.78 0.02 0.00 0.00 177.57 178.18 3hrz h ASN 413 N 0.82 0.35 -0.31 0.57 2.35 -1.75 -1.82 115.58 115.79 3hrz h ASN 413 Ca 0.46 -0.71 -0.04 0.00 -0.55 0.00 0.00 56.30 55.45 3hrz h ASN 413 Cb 0.52 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 3hrz h ASN 413 CO -0.29 1.01 0.06 0.16 -1.65 0.00 0.00 177.43 176.72 3hrz h ILE 414 N -0.28 1.20 -0.27 2.81 3.07 -1.22 -2.43 117.51 120.39 3hrz h ILE 414 Ca -0.03 -0.74 -0.09 0.00 1.55 0.00 0.00 64.86 65.54 3hrz h ILE 414 Cb 1.04 0.83 -0.01 0.00 -0.27 0.00 0.00 36.82 38.41 3hrz h ILE 414 CO 0.07 0.26 -0.23 -1.13 -1.05 0.00 0.00 178.15 176.07 3hrz h ASN 415 N 0.59 0.51 0.02 2.16 -1.24 -1.10 -2.95 115.58 113.56 3hrz h ASN 415 Ca 0.13 -0.17 -0.04 0.00 0.71 0.00 0.00 56.30 56.93 3hrz h ASN 415 Cb 0.28 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.18 3hrz h ASN 415 CO 0.00 0.74 -0.10 0.00 -1.29 0.00 0.00 177.43 176.78 3hrz h ALA 416 N 1.30 1.57 0.00 1.57 0.00 -0.81 -3.01 119.26 119.88 3hrz h ALA 416 Ca 0.07 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.55 3hrz h ALA 416 Cb 0.65 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3hrz h ALA 416 CO 0.05 0.31 -1.35 -0.07 0.00 0.00 0.00 179.25 178.19 3hrz h LEU 417 N 0.20 0.00 -9.88 0.00 3.38 -1.47 -3.47 115.31 104.06 3hrz h LEU 417 Ca 0.04 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.50 3hrz h LEU 417 Cb 0.32 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.12 3hrz h LEU 417 CO 0.02 0.99 0.56 0.00 0.09 0.00 0.00 178.44 180.10 3hrz s ALA 418 N -2.66 3.37 0.55 1.53 0.00 -1.13 -4.84 121.76 118.59 3hrz s ALA 418 Ca -0.02 1.09 -0.20 0.00 0.00 0.00 0.00 51.96 52.84 3hrz s ALA 418 Cb 0.09 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 3hrz s ALA 418 CO 0.82 -0.50 0.94 0.43 0.00 0.00 0.00 175.76 177.44 3hrz n SER 419 N 0.66 0.74 -4.06 0.00 7.64 -0.56 -4.98 113.62 113.06 3hrz n SER 419 Ca 0.01 0.86 -0.33 0.00 1.01 0.00 0.00 58.87 60.42 3hrz n SER 419 Cb 0.44 -1.36 -0.13 0.00 -1.01 0.00 0.00 64.21 62.14 3hrz n SER 419 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3hrz s LYS 420 N -2.50 1.75 -0.03 1.43 -0.14 -1.26 -4.43 119.74 114.56 3hrz s LYS 420 Ca 0.72 -1.94 0.07 0.00 -1.36 0.00 0.00 55.97 53.46 3hrz s LYS 420 Cb -0.45 -3.38 -0.02 0.00 -1.68 0.00 0.00 37.83 32.30 3hrz s LYS 420 CO 0.50 -1.01 -0.23 0.15 -0.76 0.00 0.00 175.35 174.00 3hrz s LYS 421 N 0.87 2.01 0.04 1.68 1.02 -1.26 -4.16 119.74 119.93 3hrz s LYS 421 Ca 0.11 -0.83 -0.36 0.00 0.02 0.00 0.00 55.97 54.92 3hrz s LYS 421 Cb -0.21 -1.86 -0.15 0.00 -0.52 0.00 0.00 37.83 35.09 3hrz s LYS 421 CO -0.06 0.45 1.58 -3.47 -0.92 0.00 0.00 175.35 172.94 3hrz n ASP 422 N 2.65 2.64 -1.72 2.83 2.03 -0.43 -1.40 116.55 123.15 3hrz n ASP 422 Ca -0.16 1.07 -0.19 0.00 0.52 0.00 0.00 54.79 56.03 3hrz n ASP 422 Cb 0.52 -1.31 -0.06 0.00 -0.72 0.00 0.00 41.12 39.55 3hrz n ASP 422 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3hrz n ASN 423 N 3.98 -5.42 -4.28 1.67 5.15 -1.26 -5.00 115.26 110.09 3hrz n ASN 423 Ca 0.20 0.33 -0.17 0.00 -0.60 0.00 0.00 54.58 54.33 3hrz n ASN 423 Cb 0.24 -4.58 -0.10 0.00 -0.53 0.00 0.00 39.78 34.80 3hrz n ASN 423 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3hrz s GLU 424 N -4.05 1.15 -0.11 1.20 2.02 -0.49 -5.02 118.70 113.38 3hrz s GLU 424 Ca 0.00 -1.42 0.03 0.00 0.02 0.00 0.00 54.97 53.60 3hrz s GLU 424 Cb 0.00 -0.92 -0.00 0.00 0.10 0.00 0.00 34.13 33.31 3hrz s GLU 424 CO 0.00 0.16 -0.22 -0.65 0.02 0.00 0.00 175.26 174.57 3hrz s GLN 425 N -3.30 3.10 0.00 1.61 -0.21 -1.26 -4.56 119.66 115.04 3hrz s GLN 425 Ca 0.16 -0.84 0.00 0.00 0.02 0.00 0.00 55.36 54.70 3hrz s GLN 425 Cb -0.01 -2.39 0.00 0.00 1.00 0.00 0.00 33.01 31.61 3hrz s GLN 425 CO 0.04 0.15 0.07 0.72 -2.12 0.00 0.00 175.29 174.14 3hrz n HIS 426 N 3.63 0.00 -5.21 0.91 8.25 -1.26 -4.61 115.22 116.93 3hrz n HIS 426 Ca -0.19 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.95 3hrz n HIS 426 Cb 0.53 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.47 3hrz n HIS 426 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3hrz s VAL 427 N -0.78 2.03 -0.01 1.59 0.11 -1.26 -1.26 120.40 120.81 3hrz s VAL 427 Ca 0.00 -1.02 0.01 0.00 -2.93 0.00 0.00 61.98 58.05 3hrz s VAL 427 Cb 0.00 -1.74 -0.00 0.00 -1.53 0.00 0.00 36.38 33.11 3hrz s VAL 427 CO 0.00 0.56 -0.04 -0.36 -3.33 0.00 0.00 175.10 171.92 3hrz s PHE 428 N 0.20 0.44 -0.12 1.54 0.08 -0.49 -4.99 117.98 114.64 3hrz s PHE 428 Ca -0.14 -0.08 -0.03 0.00 0.12 0.00 0.00 56.93 56.80 3hrz s PHE 428 Cb -0.17 -0.30 0.04 0.00 -0.57 0.00 0.00 43.02 42.02 3hrz s PHE 428 CO 0.07 -0.02 0.04 0.21 -0.10 0.00 0.00 175.22 175.42 3hrz s LYS 429 N 0.01 0.38 0.55 0.44 2.20 -1.26 -0.91 119.74 121.14 3hrz s LYS 429 Ca 0.00 -0.02 0.07 0.00 -0.36 0.00 0.00 55.97 55.66 3hrz s LYS 429 Cb -0.03 -1.37 0.07 0.00 -1.51 0.00 0.00 37.83 34.98 3hrz s LYS 429 CO -0.00 -0.48 0.75 0.14 -0.36 0.00 0.00 175.35 175.41 3hrz s VAL 430 N 2.01 2.44 0.10 4.02 -7.23 -1.26 -0.46 120.40 120.03 3hrz s VAL 430 Ca 0.03 -0.91 -0.20 0.00 -1.81 0.00 0.00 61.98 59.08 3hrz s VAL 430 Cb -0.14 -2.54 -0.09 0.00 0.56 0.00 0.00 36.38 34.17 3hrz s VAL 430 CO -0.06 0.00 1.72 0.50 -0.31 0.00 0.00 175.10 176.94 3hrz h LYS 431 N 0.20 0.22 0.00 4.82 3.64 -1.93 -3.46 116.57 120.07 3hrz h LYS 431 Ca -0.35 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 3hrz h LYS 431 Cb 1.28 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.06 3hrz h LYS 431 CO 0.43 0.21 0.24 -0.40 -2.27 0.00 0.00 179.45 177.65 3hrz n ASP 432 N -4.94 -1.76 0.03 4.20 5.68 -1.26 -5.05 116.55 113.46 3hrz n ASP 432 Ca -0.04 -2.19 -0.06 0.00 -0.50 0.00 0.00 54.79 51.99 3hrz n ASP 432 Cb 0.06 2.92 0.13 0.00 -1.14 0.00 0.00 41.12 43.08 3hrz n ASP 432 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 3hrz h MET 433 N 0.00 0.44 -0.80 0.11 1.85 -1.96 -2.09 114.93 112.48 3hrz h MET 433 Ca -0.26 -0.24 0.05 0.00 -0.61 0.00 0.00 59.70 58.64 3hrz h MET 433 Cb 0.96 0.01 -0.05 0.00 0.43 0.00 0.00 31.60 32.95 3hrz h MET 433 CO 0.33 0.81 0.53 1.49 -0.40 0.00 0.00 176.91 179.67 3hrz h GLU 434 N 0.36 0.92 -0.19 0.39 4.81 -1.99 -0.41 114.58 118.47 3hrz h GLU 434 Ca 0.02 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.02 3hrz h GLU 434 Cb 0.95 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 3hrz h GLU 434 CO 0.08 0.61 -0.61 -0.91 -0.73 0.00 0.00 179.01 177.44 3hrz h ASN 435 N 0.94 0.73 -0.56 1.04 2.35 -1.87 -2.34 115.58 115.88 3hrz h ASN 435 Ca 0.33 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3hrz h ASN 435 Cb 0.12 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3hrz h ASN 435 CO -0.11 1.17 0.36 0.25 -1.65 0.00 0.00 177.43 177.45 3hrz h LEU 436 N 0.48 0.65 -0.58 1.61 5.85 -0.65 -2.50 115.31 120.17 3hrz h LEU 436 Ca -0.01 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.71 3hrz h LEU 436 Cb 1.19 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 3hrz h LEU 436 CO 0.12 0.49 0.34 -0.33 -0.34 0.00 0.00 178.44 178.72 3hrz h GLU 437 N 0.76 0.65 -0.81 1.25 5.08 -1.01 -1.64 114.58 118.86 3hrz h GLU 437 Ca 0.20 -0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.69 3hrz h GLU 437 Cb -0.06 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 28.98 3hrz h GLU 437 CO -0.04 0.43 0.54 -0.44 -1.00 0.00 0.00 179.01 178.50 3hrz h ASP 438 N 0.67 0.42 -0.14 1.42 3.32 -1.01 0.12 116.42 121.22 3hrz h ASP 438 Ca 0.24 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.36 3hrz h ASP 438 Cb 0.06 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 3hrz h ASP 438 CO -0.12 0.20 -0.10 0.58 -1.72 0.00 0.00 179.24 178.09 3hrz h VAL 439 N 0.43 0.71 0.00 -1.35 2.07 -0.88 -0.03 116.25 117.21 3hrz h VAL 439 Ca 0.41 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.76 3hrz h VAL 439 Cb 0.94 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 3hrz h VAL 439 CO -0.14 0.00 -0.80 -0.26 0.02 0.00 0.00 177.57 176.39 3hrz h PHE 440 N -0.10 0.00 -0.77 1.57 0.04 -1.12 -2.30 116.94 114.26 3hrz h PHE 440 Ca 0.09 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.81 3hrz h PHE 440 Cb 0.23 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 3hrz h PHE 440 CO -0.23 0.80 0.32 1.88 -0.60 0.00 0.00 178.31 180.48 3hrz h TYR 441 N 0.00 1.16 -0.45 -0.55 0.05 -0.69 -2.70 116.97 113.79 3hrz h TYR 441 Ca -0.01 -0.08 -0.14 0.00 0.05 0.00 0.00 58.73 58.55 3hrz h TYR 441 Cb 1.51 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 38.89 3hrz h TYR 441 CO 0.00 0.88 -0.25 0.37 -1.05 0.00 0.00 178.16 178.10 3hrz h GLN 442 N 1.11 0.96 -0.64 4.88 4.15 -0.71 -2.12 115.11 122.74 3hrz h GLN 442 Ca 0.26 -0.43 0.05 0.00 0.77 0.00 0.00 58.65 59.30 3hrz h GLN 442 Cb 0.20 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.81 3hrz h GLN 442 CO -0.02 1.09 0.36 0.52 -1.93 0.00 0.00 178.83 178.85 3hrz h MET 443 N 0.82 0.66 -0.45 1.69 2.86 -1.36 -0.69 114.93 118.46 3hrz h MET 443 Ca 0.10 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 3hrz h MET 443 Cb 0.83 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 3hrz h MET 443 CO 0.07 0.43 -0.06 0.82 1.06 0.00 0.00 176.91 179.24 3hrz h ILE 444 N 0.68 1.25 0.00 -1.22 2.04 -1.29 -2.24 117.51 116.73 3hrz h ILE 444 Ca 0.28 -1.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.02 3hrz h ILE 444 Cb 0.15 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3hrz h ILE 444 CO -0.17 0.37 -0.25 0.44 0.00 0.00 0.00 178.15 178.54 3hrz h ASP 445 N 0.71 0.00 -0.80 1.72 3.32 -0.91 -3.24 116.42 117.22 3hrz h ASP 445 Ca 0.13 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3hrz h ASP 445 Cb 0.51 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 3hrz h ASP 445 CO 0.03 0.25 0.46 -0.08 -1.72 0.00 0.00 179.24 178.18 3hrz h GLU 446 N 0.00 1.10 -0.54 3.56 4.22 -0.49 -2.88 114.58 119.55 3hrz h GLU 446 Ca -0.00 -0.12 -0.03 0.00 0.08 0.00 0.00 59.36 59.29 3hrz h GLU 446 Cb 0.62 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3hrz h GLU 446 CO 0.03 0.80 0.22 0.77 -2.18 0.00 0.00 179.01 178.64 3hrz h SER 447 N 1.10 0.75 -3.08 1.04 0.02 -1.63 -3.47 113.55 108.28 3hrz h SER 447 Ca 0.28 -0.17 -0.39 0.00 -0.84 0.00 0.00 61.79 60.67 3hrz h SER 447 Cb -0.00 -0.19 0.22 0.00 0.14 0.00 0.00 62.40 62.56 3hrz h SER 447 CO -0.05 0.71 -0.09 -1.10 -1.14 0.00 0.00 176.83 175.16 3hrz s GLN 448 N -5.55 -2.55 0.93 3.45 -0.21 -1.09 -4.99 119.66 109.66 3hrz s GLN 448 Ca -0.13 0.29 -0.12 0.00 0.02 0.00 0.00 55.36 55.42 3hrz s GLN 448 Cb 0.12 -1.41 0.15 0.00 1.00 0.00 0.00 33.01 32.87 3hrz s GLN 448 CO 0.78 -4.66 1.11 -1.54 -2.12 0.00 0.00 175.29 168.86 3hrz s SER 449 N -3.00 3.24 0.46 5.90 1.04 -1.26 -4.95 113.70 115.13 3hrz s SER 449 Ca 0.69 1.16 0.26 0.00 0.48 0.00 0.00 55.95 58.54 3hrz s SER 449 Cb -0.16 -1.81 0.81 0.00 0.10 0.00 0.00 66.02 64.96 3hrz s SER 449 CO 0.59 -2.74 1.77 -0.07 0.98 0.00 0.00 173.24 173.78 3hrz h LEU 450 N -1.62 0.00 -0.57 2.42 3.38 -1.96 -2.79 115.31 114.16 3hrz h LEU 450 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 3hrz h LEU 450 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3hrz h LEU 450 CO 0.59 0.13 0.00 -1.54 0.09 0.00 0.00 178.44 177.71 3hrz n SER 451 N -3.20 0.43 -4.65 -0.43 3.41 -1.26 -4.62 113.62 103.30 3hrz n SER 451 Ca 0.01 0.62 -0.49 0.00 -0.26 0.00 0.00 58.87 58.76 3hrz n SER 451 Cb 0.45 -0.71 -0.05 0.00 -0.26 0.00 0.00 64.21 63.64 3hrz n SER 451 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3hrz n LEU 452 N -2.00 3.21 -4.79 1.04 7.94 -1.06 -4.82 117.00 116.54 3hrz n LEU 452 Ca 0.02 0.84 -0.34 0.00 -1.11 0.00 0.00 56.01 55.41 3hrz n LEU 452 Cb 0.17 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 42.76 3hrz n LEU 452 CO 0.15 -0.21 0.75 0.00 -1.11 0.00 0.00 177.39 176.97 3hrz n GLY 454 N -0.27 -0.29 3.12 0.00 0.00 0.61 -4.62 105.19 103.74 3hrz n GLY 454 Ca 0.10 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 3hrz n GLY 454 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hrz s MET 455 N -6.94 2.60 -0.05 1.61 0.00 -1.25 0.13 119.30 115.39 3hrz s MET 455 Ca 0.34 -0.71 0.02 0.00 0.00 0.00 0.00 55.69 55.34 3hrz s MET 455 Cb -0.19 -2.11 0.01 0.00 0.00 0.00 0.00 34.83 32.54 3hrz s MET 455 CO 0.94 0.01 -0.11 0.08 0.00 0.00 0.00 175.02 175.94 3hrz s VAL 456 N 0.78 0.98 -0.26 10.11 1.01 -1.26 -5.00 120.40 126.76 3hrz s VAL 456 Ca -0.10 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 3hrz s VAL 456 Cb -0.16 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3hrz s VAL 456 CO 0.01 0.32 0.14 0.86 0.00 0.00 0.00 175.10 176.42 3hrz s TRP 457 N 0.59 3.19 -0.93 5.22 -0.11 -1.26 -5.03 118.94 120.61 3hrz s TRP 457 Ca -0.12 -0.04 -0.22 0.00 1.22 0.00 0.00 56.10 56.95 3hrz s TRP 457 Cb -0.14 -2.30 0.08 0.00 -1.50 0.00 0.00 33.47 29.60 3hrz s TRP 457 CO 0.02 -0.17 1.28 -1.21 -4.62 0.00 0.00 176.95 172.25 3hrz s GLU 458 N 1.54 3.51 0.00 5.86 0.41 -1.26 -4.92 118.70 123.83 3hrz s GLU 458 Ca 0.07 -1.23 0.00 0.00 -0.41 0.00 0.00 54.97 53.40 3hrz s GLU 458 Cb -0.15 -4.99 0.00 0.00 -1.78 0.00 0.00 34.13 27.21 3hrz s GLU 458 CO 0.07 -2.02 0.37 0.72 -0.49 0.00 0.00 175.26 173.91 3hrz n HIS 459 N 8.03 0.00 0.00 1.61 8.25 -1.26 -4.88 115.22 126.96 3hrz n HIS 459 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 3hrz n HIS 459 Cb 0.50 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.21 3hrz n HIS 459 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3hrz n THR 463 N -1.69 0.00 0.13 1.59 -1.04 -1.26 -5.22 114.28 106.79 3hrz n THR 463 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3hrz n THR 463 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3hrz n THR 463 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3hrz n ASP 464 N 0.00 -0.83 0.17 8.00 9.92 -1.26 -4.76 116.55 127.79 3hrz n ASP 464 Ca 0.00 0.45 0.13 0.00 -0.53 0.00 0.00 54.79 54.85 3hrz n ASP 464 Cb 0.00 0.94 0.43 0.00 -0.64 0.00 0.00 41.12 41.85 3hrz n ASP 464 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 3hrz h TYR 465 N 0.00 0.00 -0.68 1.24 0.05 -1.90 -1.10 116.97 114.58 3hrz h TYR 465 Ca 0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.80 3hrz h TYR 465 Cb 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 3hrz h TYR 465 CO 0.00 0.00 0.45 0.45 -1.05 0.00 0.00 178.16 178.01 3hrz h HIS 466 N 0.00 0.81 0.00 4.88 3.86 -1.87 -1.36 115.15 121.48 3hrz h HIS 466 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3hrz h HIS 466 Cb 0.65 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.85 3hrz h HIS 466 CO 0.00 0.49 -0.77 0.87 0.86 0.00 0.00 177.93 179.38 3hrz h LYS 467 N 0.86 0.00 -2.01 2.45 1.57 -1.52 -3.40 116.57 114.52 3hrz h LYS 467 Ca 0.26 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.54 3hrz h LYS 467 Cb -0.01 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.91 3hrz h LYS 467 CO -0.07 0.00 -1.16 1.04 -0.57 0.00 0.00 179.45 178.69 3hrz n GLN 468 N -2.73 0.99 0.00 3.15 3.00 -0.86 -4.97 117.38 115.96 3hrz n GLN 468 Ca 0.01 -3.40 0.08 0.00 -0.01 0.00 0.00 57.00 53.69 3hrz n GLN 468 Cb 0.54 -1.62 0.42 0.00 0.00 0.00 0.00 30.24 29.59 3hrz n GLN 468 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 3hrz n PRO 469 N 0.53 0.19 0.08 -1.09 -0.04 -0.52 -1.20 135.00 132.94 3hrz n PRO 469 Ca 0.24 0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.97 3hrz n PRO 469 Cb 0.62 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.85 3hrz n PRO 469 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3hrz n TRP 470 N -1.33 0.68 -2.29 0.54 2.14 -1.14 -0.56 117.44 115.47 3hrz n TRP 470 Ca 0.07 0.20 -0.42 0.00 2.07 0.00 0.00 57.50 59.42 3hrz n TRP 470 Cb 0.15 -0.76 -0.03 0.00 -0.81 0.00 0.00 31.31 29.87 3hrz n TRP 470 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3hrz s GLN 471 N -3.13 4.39 -0.04 -2.67 2.00 -0.34 -0.42 119.66 119.44 3hrz s GLN 471 Ca 0.08 1.94 0.07 0.00 -2.00 0.00 0.00 55.36 55.45 3hrz s GLN 471 Cb 0.13 -3.28 -0.01 0.00 0.80 0.00 0.00 33.01 30.65 3hrz s GLN 471 CO 0.67 -0.31 -0.25 0.00 -0.50 0.00 0.00 175.29 174.90 3hrz s ALA 472 N 0.86 2.12 -0.20 1.58 0.00 0.33 -4.26 121.76 122.19 3hrz s ALA 472 Ca 0.60 -1.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.41 3hrz s ALA 472 Cb -0.34 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.12 3hrz s ALA 472 CO 0.31 0.45 0.13 0.15 0.00 0.00 0.00 175.76 176.81 3hrz s LYS 473 N -0.33 4.19 -0.18 0.00 1.02 -0.08 -0.27 119.74 124.09 3hrz s LYS 473 Ca 0.02 -0.22 -0.01 0.00 0.02 0.00 0.00 55.97 55.78 3hrz s LYS 473 Cb -0.12 -3.43 -0.00 0.00 -0.52 0.00 0.00 37.83 33.76 3hrz s LYS 473 CO 0.02 0.29 -0.12 0.42 -0.92 0.00 0.00 175.35 175.04 3hrz s ILE 474 N 0.39 2.91 -0.15 2.17 1.01 0.16 -0.92 121.20 126.77 3hrz s ILE 474 Ca 0.08 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.07 3hrz s ILE 474 Cb -0.11 -2.26 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 3hrz s ILE 474 CO -0.02 0.49 -0.16 -0.44 0.00 0.00 0.00 174.94 174.81 3hrz s SER 475 N 1.01 3.63 -0.09 3.58 0.01 0.60 -0.90 113.70 121.53 3hrz s SER 475 Ca -0.01 -0.47 0.04 0.00 1.31 0.00 0.00 55.95 56.82 3hrz s SER 475 Cb -0.15 -1.55 -0.00 0.00 0.21 0.00 0.00 66.02 64.53 3hrz s SER 475 CO -0.02 0.10 -0.22 -0.69 0.41 0.00 0.00 173.24 172.82 3hrz s VAL 476 N 0.71 2.23 -0.21 3.43 1.01 -1.26 0.47 120.40 126.78 3hrz s VAL 476 Ca -0.07 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.85 3hrz s VAL 476 Cb -0.16 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3hrz s VAL 476 CO 0.01 0.56 0.09 -0.63 0.00 0.00 0.00 175.10 175.13 3hrz s ILE 477 N 0.21 4.92 -0.03 2.22 -1.09 -1.16 -4.73 121.20 121.55 3hrz s ILE 477 Ca -0.14 0.02 -0.01 0.00 -2.23 0.00 0.00 60.65 58.29 3hrz s ILE 477 Cb -0.17 -3.25 0.02 0.00 -1.58 0.00 0.00 42.46 37.49 3hrz s ILE 477 CO 0.07 0.42 0.06 -0.13 -1.23 0.00 0.00 174.94 174.12 3hrz s ARG 478 N 0.69 0.01 0.00 2.79 0.52 -1.26 -4.97 118.95 116.73 3hrz s ARG 478 Ca 0.05 0.18 -0.01 0.00 -0.52 0.00 0.00 55.73 55.43 3hrz s ARG 478 Cb -0.13 -0.14 -0.02 0.00 0.52 0.00 0.00 34.95 35.18 3hrz s ARG 478 CO 0.02 -0.11 0.74 -0.35 0.02 0.00 0.00 175.30 175.61 3hrz n PRO 479 N 3.80 0.30 -3.17 3.54 -0.04 -1.26 -5.32 135.00 132.85 3hrz n PRO 479 Ca -0.22 -0.09 0.05 0.00 -0.04 0.00 0.00 63.50 63.20 3hrz n PRO 479 Cb 0.54 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.49 3hrz n PRO 479 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3hrz s SER 485 N 2.33 -0.44 0.30 3.54 1.04 -1.26 -5.32 113.70 113.90 3hrz s SER 485 Ca 0.06 0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.84 3hrz s SER 485 Cb 0.03 1.38 -0.06 0.00 0.10 0.00 0.00 66.02 67.47 3hrz s SER 485 CO 0.00 -0.08 0.05 0.00 0.98 0.00 0.00 173.24 174.19 3hrz s MET 487 N -3.90 2.22 0.31 0.00 -1.94 0.21 0.35 119.30 116.56 3hrz s MET 487 Ca 0.35 -1.76 -0.16 0.00 -1.71 0.00 0.00 55.69 52.41 3hrz s MET 487 Cb 0.08 -2.01 0.02 0.00 2.01 0.00 0.00 34.83 34.94 3hrz s MET 487 CO 0.14 -0.01 0.66 0.20 -0.01 0.00 0.00 175.02 176.01 3hrz s GLY 488 N -3.84 0.32 -0.04 -0.03 0.00 0.62 -3.21 107.32 101.14 3hrz s GLY 488 Ca 0.39 -0.67 0.06 0.00 0.00 0.00 0.00 44.72 44.50 3hrz s GLY 488 CO 0.22 -0.35 -0.23 0.00 0.00 0.00 0.00 173.10 172.74 3hrz s ALA 489 N -3.41 1.95 -0.03 3.20 0.00 -0.18 -0.51 121.76 122.78 3hrz s ALA 489 Ca 0.17 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 3hrz s ALA 489 Cb -0.04 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.46 3hrz s ALA 489 CO 0.10 0.41 1.38 0.08 0.00 0.00 0.00 175.76 177.73 3hrz s VAL 490 N -0.26 3.82 -0.09 0.00 1.01 0.44 -0.99 120.40 124.32 3hrz s VAL 490 Ca 0.01 1.16 0.03 0.00 0.00 0.00 0.00 61.98 63.19 3hrz s VAL 490 Cb -0.12 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 3hrz s VAL 490 CO 0.02 -0.02 0.11 1.33 0.00 0.00 0.00 175.10 176.54 3hrz n VAL 491 N 4.80 0.00 -3.71 2.92 0.24 -0.83 -1.31 118.33 120.43 3hrz n VAL 491 Ca 0.13 -0.27 -0.06 0.00 -2.04 0.00 0.00 64.34 62.11 3hrz n VAL 491 Cb 0.44 0.74 0.02 0.00 -1.47 0.00 0.00 33.84 33.57 3hrz n VAL 491 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3hrz n SER 492 N -1.33 -1.80 0.26 -1.34 3.41 -1.17 -4.79 113.62 106.86 3hrz n SER 492 Ca 0.00 -2.17 0.11 0.00 -0.26 0.00 0.00 58.87 56.55 3hrz n SER 492 Cb 0.07 2.97 0.69 0.00 -0.26 0.00 0.00 64.21 67.69 3hrz n SER 492 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3hrz h GLU 493 N 0.00 0.00 0.00 4.33 5.08 -1.90 -3.02 114.58 119.06 3hrz h GLU 493 Ca -0.27 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.05 3hrz h GLU 493 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3hrz h GLU 493 CO 0.34 0.12 -1.90 0.66 -1.00 0.00 0.00 179.01 177.23 3hrz n TYR 494 N -3.89 0.00 -5.26 4.33 4.01 -1.26 -0.69 117.16 114.40 3hrz n TYR 494 Ca -0.02 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.40 3hrz n TYR 494 Cb 0.21 -0.48 -0.16 0.00 -0.31 0.00 0.00 39.34 38.60 3hrz n TYR 494 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3hrz s PHE 495 N -3.19 2.40 -0.11 -0.72 0.08 -1.14 0.06 117.98 115.35 3hrz s PHE 495 Ca -0.07 -0.51 0.03 0.00 0.12 0.00 0.00 56.93 56.50 3hrz s PHE 495 Cb 0.11 -1.54 0.01 0.00 -0.57 0.00 0.00 43.02 41.02 3hrz s PHE 495 CO 0.77 -0.08 -0.20 0.08 -0.10 0.00 0.00 175.22 175.69 3hrz s VAL 496 N -0.47 1.85 -0.17 -0.44 1.01 -0.18 -1.96 120.40 120.04 3hrz s VAL 496 Ca 0.06 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 3hrz s VAL 496 Cb -0.11 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 3hrz s VAL 496 CO 0.01 0.51 0.24 -0.22 0.00 0.00 0.00 175.10 175.63 3hrz s LEU 497 N 0.68 4.23 0.00 3.92 2.96 -0.16 -0.22 118.68 130.09 3hrz s LEU 497 Ca -0.12 0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 3hrz s LEU 497 Cb -0.16 -2.27 0.00 0.00 0.50 0.00 0.00 46.19 44.25 3hrz s LEU 497 CO 0.02 0.13 0.00 1.07 -1.32 0.00 0.00 176.35 176.25 3hrz n THR 498 N 3.55 0.00 -3.59 3.68 5.66 -0.61 -1.01 114.28 121.97 3hrz n THR 498 Ca -0.13 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.51 3hrz n THR 498 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 3hrz n THR 498 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hrz s ALA 499 N -1.63 3.74 0.28 1.79 0.00 -1.25 -1.57 121.76 123.12 3hrz s ALA 499 Ca 0.00 -0.37 0.19 0.00 0.00 0.00 0.00 51.96 51.79 3hrz s ALA 499 Cb 0.00 -2.27 0.87 0.00 0.00 0.00 0.00 23.12 21.72 3hrz s ALA 499 CO 0.00 0.55 1.84 0.00 0.00 0.00 0.00 175.76 178.15 3hrz h ALA 500 N 4.07 1.17 0.00 0.00 0.00 -1.70 -3.05 119.26 119.75 3hrz h ALA 500 Ca -0.50 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3hrz h ALA 500 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3hrz h ALA 500 CO 0.65 0.40 0.00 -2.39 0.00 0.00 0.00 179.25 177.90 3hrz n HIS 501 N -3.71 0.00 0.33 0.00 1.44 -1.26 -2.45 115.22 109.56 3hrz n HIS 501 Ca -0.01 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.81 3hrz n HIS 501 Cb 0.42 -0.34 0.51 0.00 0.12 0.00 0.00 29.99 30.69 3hrz n HIS 501 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hrz s PHE 503 N -3.37 1.33 -0.34 0.00 0.08 -1.03 -4.96 117.98 109.69 3hrz s PHE 503 Ca 0.02 -0.53 0.04 0.00 0.12 0.00 0.00 56.93 56.58 3hrz s PHE 503 Cb 0.08 -0.72 0.32 0.00 -0.57 0.00 0.00 43.02 42.14 3hrz s PHE 503 CO 0.34 0.11 1.34 -2.37 -0.10 0.00 0.00 175.22 174.53 3hrz n THR 504 N 0.81 0.00 0.00 0.64 5.66 -1.26 -5.08 114.28 115.04 3hrz n THR 504 Ca -0.18 -0.76 0.00 0.00 -3.05 0.00 0.00 64.05 60.06 3hrz n THR 504 Cb 0.56 1.13 0.00 0.00 -1.55 0.00 0.00 70.33 70.47 3hrz n THR 504 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3hrz n HIS 510 N 0.64 0.00 0.10 1.09 8.25 -1.26 -5.11 115.22 118.94 3hrz n HIS 510 Ca -0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.41 3hrz n HIS 510 Cb 0.74 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.82 3hrz n HIS 510 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3hrz h SER 511 N 0.00 0.00 -3.76 0.41 0.02 -1.97 -3.45 113.55 104.80 3hrz h SER 511 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 3hrz h SER 511 Cb 0.00 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 62.35 3hrz h SER 511 CO 0.00 0.73 -0.50 -0.63 -1.14 0.00 0.00 176.83 175.29 3hrz s ILE 512 N -2.86 5.20 0.03 3.27 1.01 -1.26 -2.98 121.20 123.62 3hrz s ILE 512 Ca 0.03 -0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.60 3hrz s ILE 512 Cb 0.09 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 3hrz s ILE 512 CO 0.78 0.08 -0.10 -1.59 0.00 0.00 0.00 174.94 174.11 3hrz s LYS 513 N 1.72 2.35 -0.05 2.79 -2.85 0.18 -4.34 119.74 119.53 3hrz s LYS 513 Ca 0.06 -0.85 0.01 0.00 -1.00 0.00 0.00 55.97 54.20 3hrz s LYS 513 Cb -0.17 -2.38 0.02 0.00 -2.06 0.00 0.00 37.83 33.24 3hrz s LYS 513 CO 0.10 0.57 -0.06 0.08 0.10 0.00 0.00 175.35 176.13 3hrz s VAL 514 N -1.03 0.69 0.02 1.79 1.01 -1.18 -0.30 120.40 121.41 3hrz s VAL 514 Ca 0.18 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.01 3hrz s VAL 514 Cb -0.11 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 3hrz s VAL 514 CO 0.08 0.26 -0.17 -0.94 0.00 0.00 0.00 175.10 174.33 3hrz s SER 515 N 0.89 2.07 0.26 3.32 1.04 -0.10 0.90 113.70 122.08 3hrz s SER 515 Ca -0.11 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 55.90 3hrz s SER 515 Cb -0.15 -0.18 -0.05 0.00 0.10 0.00 0.00 66.02 65.75 3hrz s SER 515 CO 0.01 0.14 0.12 0.68 0.98 0.00 0.00 173.24 175.16 3hrz s VAL 516 N -0.68 0.40 -0.51 5.02 -7.23 -1.26 -0.90 120.40 115.24 3hrz s VAL 516 Ca 0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 3hrz s VAL 516 Cb -0.08 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.28 3hrz s VAL 516 CO 0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 3hrz n GLY 517 N -0.46 0.52 3.39 2.32 0.00 -1.25 -1.83 105.19 107.88 3hrz n GLY 517 Ca 0.01 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 3hrz n GLY 517 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrz n GLY 518 N 0.15 -0.78 3.54 -0.02 0.00 -1.26 -4.89 105.19 101.92 3hrz n GLY 518 Ca -0.05 0.36 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 3hrz n GLY 518 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hrz s GLU 519 N -5.00 2.15 0.31 1.61 2.02 -0.76 -5.00 118.70 114.02 3hrz s GLU 519 Ca 0.25 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 54.26 3hrz s GLU 519 Cb -0.04 -2.29 0.49 0.00 0.10 0.00 0.00 34.13 32.40 3hrz s GLU 519 CO 0.75 0.53 1.91 -0.22 0.02 0.00 0.00 175.26 178.25 3hrz h LYS 520 N 4.05 0.85 -6.13 1.61 3.64 -1.96 -3.43 116.57 115.20 3hrz h LYS 520 Ca -0.49 -0.11 -0.71 0.00 -1.27 0.00 0.00 60.65 58.07 3hrz h LYS 520 Cb 1.16 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.83 3hrz h LYS 520 CO 0.50 0.67 1.04 -2.13 -2.27 0.00 0.00 179.45 177.26 3hrz n ARG 521 N -4.35 1.23 -4.46 1.90 0.63 -1.26 -4.97 116.66 105.37 3hrz n ARG 521 Ca 0.05 0.43 -0.34 0.00 -0.92 0.00 0.00 57.85 57.08 3hrz n ARG 521 Cb 0.14 -2.21 -0.14 0.00 0.45 0.00 0.00 32.46 30.70 3hrz n ARG 521 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 3hrz s ASP 522 N 4.38 4.24 0.25 6.15 -4.77 -1.26 -4.52 116.67 121.14 3hrz s ASP 522 Ca 1.01 -0.30 -0.16 0.00 -3.30 0.00 0.00 52.55 49.80 3hrz s ASP 522 Cb -1.00 -1.68 -0.08 0.00 -1.09 0.00 0.00 42.92 39.07 3hrz s ASP 522 CO 0.61 0.12 0.68 -0.76 0.70 0.00 0.00 175.17 176.52 3hrz s LEU 523 N 0.65 4.21 0.14 2.11 1.43 0.26 -4.79 118.68 122.69 3hrz s LEU 523 Ca -0.05 1.24 -0.30 0.00 -1.03 0.00 0.00 54.13 53.99 3hrz s LEU 523 Cb -0.15 -3.73 -0.07 0.00 0.03 0.00 0.00 46.19 42.27 3hrz s LEU 523 CO 0.02 -0.06 0.96 -0.70 0.23 0.00 0.00 176.35 176.81 3hrz s GLU 524 N -2.47 4.73 0.43 1.70 2.12 -1.26 -3.09 118.70 120.85 3hrz s GLU 524 Ca 0.47 1.47 0.06 0.00 0.36 0.00 0.00 54.97 57.33 3hrz s GLU 524 Cb -0.13 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.92 3hrz s GLU 524 CO 0.19 0.27 0.59 0.96 -0.54 0.00 0.00 175.26 176.74 3hrz s ILE 525 N -0.26 3.27 -0.07 -3.70 -4.36 -1.26 -2.01 121.20 112.81 3hrz s ILE 525 Ca 0.46 -0.89 0.00 0.00 -0.26 0.00 0.00 60.65 59.96 3hrz s ILE 525 Cb -0.24 -3.14 -0.04 0.00 1.25 0.00 0.00 42.46 40.29 3hrz s ILE 525 CO 0.31 -0.06 -0.06 1.21 0.24 0.00 0.00 174.94 176.57 3hrz n GLU 526 N -1.92 0.17 -3.61 0.37 2.13 0.47 -4.50 120.64 113.76 3hrz n GLU 526 Ca 0.06 0.04 -0.08 0.00 0.66 0.00 0.00 57.16 57.84 3hrz n GLU 526 Cb 0.59 -1.12 -0.06 0.00 0.27 0.00 0.00 31.44 31.12 3hrz n GLU 526 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3hrz s VAL 527 N -2.14 0.00 -0.20 6.31 0.11 -1.16 -5.03 120.40 118.29 3hrz s VAL 527 Ca -0.09 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.90 3hrz s VAL 527 Cb 0.02 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.85 3hrz s VAL 527 CO 0.16 0.00 0.01 -0.69 -3.33 0.00 0.00 175.10 171.25 3hrz s VAL 528 N -0.53 4.11 -0.31 2.04 1.01 -1.26 -1.35 120.40 124.12 3hrz s VAL 528 Ca 0.02 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 3hrz s VAL 528 Cb -0.03 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 3hrz s VAL 528 CO -0.04 0.43 0.15 -0.76 0.00 0.00 0.00 175.10 174.88 3hrz s LEU 529 N 0.93 4.10 0.15 3.92 1.43 0.68 -4.95 118.68 124.93 3hrz s LEU 529 Ca 0.02 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.47 3hrz s LEU 529 Cb -0.14 -2.00 -0.07 0.00 0.03 0.00 0.00 46.19 44.00 3hrz s LEU 529 CO 0.02 -0.19 0.55 -0.36 0.23 0.00 0.00 176.35 176.61 3hrz s PHE 530 N 1.62 3.61 0.18 0.29 0.08 -1.26 0.14 117.98 122.63 3hrz s PHE 530 Ca 0.05 1.07 -0.33 0.00 0.12 0.00 0.00 56.93 57.84 3hrz s PHE 530 Cb -0.17 -2.38 -0.15 0.00 -0.57 0.00 0.00 43.02 39.76 3hrz s PHE 530 CO 0.06 0.43 1.39 1.58 -0.10 0.00 0.00 175.22 178.58 3hrz n HIS 531 N 0.82 1.90 0.31 0.36 -0.00 -0.75 -4.82 115.22 113.03 3hrz n HIS 531 Ca -0.05 0.48 0.20 0.00 -0.00 0.00 0.00 57.72 58.34 3hrz n HIS 531 Cb 0.52 -2.42 0.97 0.00 -0.00 0.00 0.00 29.99 29.05 3hrz n HIS 531 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3hrz h PRO 532 N 4.54 0.00 -0.01 1.57 0.13 -1.92 -1.25 132.00 135.06 3hrz h PRO 532 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3hrz h PRO 532 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3hrz h PRO 532 CO 0.78 0.00 -0.32 0.09 -0.23 0.00 0.00 178.00 178.33 3hrz n ASN 533 N -3.09 1.07 -4.76 1.44 4.13 -1.26 -4.94 115.26 107.85 3hrz n ASN 533 Ca -0.01 -0.89 -0.41 0.00 1.68 0.00 0.00 54.58 54.95 3hrz n ASN 533 Cb 0.18 0.20 -0.03 0.00 -1.54 0.00 0.00 39.78 38.60 3hrz n ASN 533 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3hrz s TYR 534 N -2.56 3.18 -0.34 3.10 5.04 -0.48 -4.85 117.35 120.45 3hrz s TYR 534 Ca 0.22 1.45 0.01 0.00 -2.44 0.00 0.00 57.07 56.31 3hrz s TYR 534 Cb 0.19 -3.59 0.19 0.00 0.35 0.00 0.00 41.96 39.10 3hrz s TYR 534 CO 0.55 -1.60 0.76 1.21 -1.34 0.00 0.00 175.55 175.13 3hrz s ASN 535 N -0.47 -1.17 0.52 4.32 2.47 -1.26 -5.02 114.94 114.34 3hrz s ASN 535 Ca 0.49 -0.21 0.17 0.00 0.42 0.00 0.00 52.86 53.73 3hrz s ASN 535 Cb -0.38 1.61 1.31 0.00 -1.45 0.00 0.00 41.25 42.34 3hrz s ASN 535 CO 0.49 -0.17 2.16 -0.29 -3.72 0.00 0.00 177.10 175.56 3hrz h ILE 536 N 4.98 0.96 -0.55 -5.21 6.09 -1.92 -0.54 117.51 121.32 3hrz h ILE 536 Ca -0.01 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 3hrz h ILE 536 Cb 1.19 1.00 0.00 0.00 0.47 0.00 0.00 36.82 39.49 3hrz h ILE 536 CO 0.05 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.72 3hrz n ASN 537 N -4.48 4.92 0.09 2.19 3.02 -1.26 -0.93 115.26 118.80 3hrz n ASN 537 Ca -0.03 -2.67 0.08 0.00 -0.03 0.00 0.00 54.58 51.94 3hrz n ASN 537 Cb 0.09 -0.62 0.55 0.00 -0.61 0.00 0.00 39.78 39.19 3hrz n ASN 537 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3hrz h GLY 538 N 4.22 0.28 -0.14 7.41 0.00 -1.42 -2.92 103.07 110.51 3hrz h GLY 538 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3hrz h GLY 538 CO 0.36 0.09 0.00 0.28 0.00 0.00 0.00 176.54 177.26 3hrz n LYS 539 N -4.49 2.39 -0.33 4.80 5.02 -1.26 -4.78 118.16 119.52 3hrz n LYS 539 Ca 0.02 -1.96 0.11 0.00 -2.02 0.00 0.00 58.31 54.46 3hrz n LYS 539 Cb 0.17 -1.22 0.24 0.00 -0.02 0.00 0.00 35.03 34.20 3hrz n LYS 539 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3hrz h LYS 540 N 0.20 0.03 0.00 1.97 3.64 -1.28 0.37 116.57 121.50 3hrz h LYS 540 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hrz h LYS 540 Cb 0.73 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 3hrz h LYS 540 CO 0.01 0.02 0.00 -0.85 -2.27 0.00 0.00 179.45 176.36 3hrz n GLU 541 N -5.47 0.07 -0.12 1.90 0.00 -1.26 -1.82 120.64 113.93 3hrz n GLU 541 Ca 0.20 0.14 0.10 0.00 0.00 0.00 0.00 57.16 57.60 3hrz n GLU 541 Cb 0.66 -1.60 0.31 0.00 0.00 0.00 0.00 31.44 30.82 3hrz n GLU 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3hrz n ALA 542 N -1.58 2.49 -0.70 -1.84 0.00 0.13 -4.91 120.51 114.10 3hrz n ALA 542 Ca 0.05 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3hrz n ALA 542 Cb 0.31 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3hrz n ALA 542 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hrz n GLY 543 N 1.17 0.59 3.08 0.00 0.00 -0.76 -4.97 105.19 104.31 3hrz n GLY 543 Ca 0.16 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 3hrz n GLY 543 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hrz s ILE 544 N -2.00 2.75 0.10 -0.61 1.01 -1.13 -4.77 121.20 116.54 3hrz s ILE 544 Ca 0.00 -2.06 -0.12 0.00 0.00 0.00 0.00 60.65 58.47 3hrz s ILE 544 Cb 0.00 -2.88 -0.19 0.00 0.01 0.00 0.00 42.46 39.40 3hrz s ILE 544 CO 0.00 -0.53 1.26 -0.65 0.00 0.00 0.00 174.94 175.02 3hrz h PRO 545 N 7.84 0.71 -5.22 2.79 0.11 -1.85 -2.77 132.00 133.62 3hrz h PRO 545 Ca -0.11 -0.67 -0.67 0.00 0.11 0.00 0.00 66.00 64.66 3hrz h PRO 545 Cb 1.04 0.17 -0.33 0.00 0.11 0.00 0.00 31.00 31.98 3hrz h PRO 545 CO 0.59 1.27 -0.86 -1.21 -0.21 0.00 0.00 178.00 177.57 3hrz s GLU 546 N -3.51 3.06 -0.24 1.05 8.01 -1.26 -4.52 118.70 121.28 3hrz s GLU 546 Ca -0.09 -0.84 -0.01 0.00 0.01 0.00 0.00 54.97 54.04 3hrz s GLU 546 Cb 0.08 -2.45 0.03 0.00 -4.31 0.00 0.00 34.13 27.48 3hrz s GLU 546 CO 0.91 0.01 -0.08 0.12 0.01 0.00 0.00 175.26 176.23 3hrz s PHE 547 N 0.75 3.08 -1.70 1.61 5.36 -0.11 -5.02 117.98 121.95 3hrz s PHE 547 Ca -0.08 -1.72 0.16 0.00 -0.96 0.00 0.00 56.93 54.33 3hrz s PHE 547 Cb -0.16 -2.02 0.53 0.00 -0.34 0.00 0.00 43.02 41.03 3hrz s PHE 547 CO -0.00 -0.77 1.43 0.66 -1.46 0.00 0.00 175.22 175.07 3hrz n TYR 548 N 4.62 0.92 -1.79 10.12 4.01 -1.26 -3.87 117.16 129.92 3hrz n TYR 548 Ca -0.16 -0.41 -0.39 0.00 -0.16 0.00 0.00 57.90 56.77 3hrz n TYR 548 Cb 0.46 -0.08 0.02 0.00 -0.31 0.00 0.00 39.34 39.44 3hrz n TYR 548 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3hrz s ASP 549 N -0.92 5.72 -1.45 7.72 2.15 -1.26 -2.18 116.67 126.44 3hrz s ASP 549 Ca 0.39 2.89 -0.10 0.00 0.43 0.00 0.00 52.55 56.17 3hrz s ASP 549 Cb 0.22 -2.65 0.05 0.00 -0.30 0.00 0.00 42.92 40.25 3hrz s ASP 549 CO 0.23 -1.28 0.73 -1.22 -0.17 0.00 0.00 175.17 173.46 3hrz n TYR 550 N -0.40 -2.09 -1.21 -5.34 4.01 -1.26 -4.40 117.16 106.47 3hrz n TYR 550 Ca 0.06 0.66 -0.36 0.00 -0.16 0.00 0.00 57.90 58.11 3hrz n TYR 550 Cb 0.42 -3.86 -0.03 0.00 -0.31 0.00 0.00 39.34 35.57 3hrz n TYR 550 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3hrz n ASP 551 N -2.58 7.92 -4.08 7.72 2.03 -0.93 -4.39 116.55 122.25 3hrz n ASP 551 Ca -0.02 -2.53 -0.16 0.00 0.52 0.00 0.00 54.79 52.60 3hrz n ASP 551 Cb 0.56 -1.47 -0.12 0.00 -0.72 0.00 0.00 41.12 39.36 3hrz n ASP 551 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3hrz s VAL 552 N 2.44 0.72 -0.01 5.18 -7.23 -1.26 -2.77 120.40 117.47 3hrz s VAL 552 Ca 0.64 -0.94 -0.04 0.00 -1.81 0.00 0.00 61.98 59.82 3hrz s VAL 552 Cb 0.16 -0.71 0.00 0.00 0.56 0.00 0.00 36.38 36.39 3hrz s VAL 552 CO -0.05 -0.19 0.09 0.00 -0.31 0.00 0.00 175.10 174.63 3hrz s ALA 553 N -1.03 -0.20 -0.16 1.32 0.00 -0.61 -1.82 121.76 119.26 3hrz s ALA 553 Ca -0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 3hrz s ALA 553 Cb -0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 3hrz s ALA 553 CO 0.01 -0.12 -0.02 -0.51 0.00 0.00 0.00 175.76 175.12 3hrz s LEU 554 N -0.71 3.36 -0.33 0.00 1.43 0.12 -1.57 118.68 120.98 3hrz s LEU 554 Ca -0.08 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 3hrz s LEU 554 Cb -0.05 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 3hrz s LEU 554 CO 0.00 0.18 0.21 -0.63 0.23 0.00 0.00 176.35 176.34 3hrz s ILE 555 N 0.32 5.03 -0.26 -0.59 1.01 0.69 -0.23 121.20 127.17 3hrz s ILE 555 Ca -0.02 -0.27 -0.19 0.00 0.00 0.00 0.00 60.65 60.16 3hrz s ILE 555 Cb -0.14 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 3hrz s ILE 555 CO 0.02 0.03 0.59 -0.75 0.00 0.00 0.00 174.94 174.84 3hrz s LYS 556 N 1.68 4.09 0.65 2.79 2.20 -0.45 -1.01 119.74 129.68 3hrz s LYS 556 Ca 0.06 0.46 -0.14 0.00 -0.36 0.00 0.00 55.97 55.98 3hrz s LYS 556 Cb -0.17 -3.65 -0.01 0.00 -1.51 0.00 0.00 37.83 32.48 3hrz s LYS 556 CO 0.09 -0.40 1.08 -0.51 -0.36 0.00 0.00 175.35 175.25 3hrz s LEU 557 N 2.44 3.37 0.14 5.43 1.43 0.11 -0.39 118.68 131.22 3hrz s LEU 557 Ca 0.24 1.86 -0.05 0.00 -1.03 0.00 0.00 54.13 55.16 3hrz s LEU 557 Cb -0.16 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.49 3hrz s LEU 557 CO 0.09 -1.46 1.36 0.50 0.23 0.00 0.00 176.35 177.07 3hrz h LYS 558 N 0.01 0.49 -6.83 1.70 1.63 -1.63 -3.41 116.57 108.53 3hrz h LYS 558 Ca -0.46 -0.44 -0.68 0.00 -0.85 0.00 0.00 60.65 58.21 3hrz h LYS 558 Cb 1.23 0.11 -0.21 0.00 -0.60 0.00 0.00 32.23 32.76 3hrz h LYS 558 CO 0.55 1.08 -0.84 -0.80 -3.45 0.00 0.00 179.45 175.99 3hrz s ASN 559 N -7.05 3.53 0.30 4.20 0.01 -1.26 -5.01 114.94 109.66 3hrz s ASN 559 Ca -0.07 -0.69 -0.29 0.00 -0.71 0.00 0.00 52.86 51.10 3hrz s ASN 559 Cb 0.09 -0.34 -0.10 0.00 0.41 0.00 0.00 41.25 41.32 3hrz s ASN 559 CO 0.86 0.18 1.23 -0.54 -1.51 0.00 0.00 177.10 177.31 3hrz s LYS 560 N -2.13 4.47 0.43 -0.60 1.02 -1.26 -4.83 119.74 116.83 3hrz s LYS 560 Ca 0.16 2.04 -0.25 0.00 0.02 0.00 0.00 55.97 57.94 3hrz s LYS 560 Cb -0.10 -3.13 -0.08 0.00 -0.52 0.00 0.00 37.83 34.00 3hrz s LYS 560 CO 0.08 -0.04 1.25 -0.51 -0.92 0.00 0.00 175.35 175.21 3hrz s LEU 561 N -1.55 4.14 -0.35 3.17 1.43 0.13 -5.02 118.68 120.63 3hrz s LEU 561 Ca 0.48 2.52 -0.14 0.00 -1.03 0.00 0.00 54.13 55.95 3hrz s LEU 561 Cb -0.36 -4.03 -0.01 0.00 0.03 0.00 0.00 46.19 41.82 3hrz s LEU 561 CO 0.47 -0.88 0.32 -0.75 0.23 0.00 0.00 176.35 175.74 3hrz s LYS 562 N -2.39 3.45 0.50 1.70 2.20 -1.26 -4.88 119.74 119.05 3hrz s LYS 562 Ca 0.59 -0.58 -0.22 0.00 -0.36 0.00 0.00 55.97 55.40 3hrz s LYS 562 Cb -0.35 -3.84 -0.06 0.00 -1.51 0.00 0.00 37.83 32.08 3hrz s LYS 562 CO 0.44 -0.54 1.26 0.71 -0.36 0.00 0.00 175.35 176.85 3hrz s TYR 563 N 1.89 2.59 0.00 4.03 2.02 -1.26 -4.81 117.35 121.80 3hrz s TYR 563 Ca 0.09 1.46 0.00 0.00 -0.37 0.00 0.00 57.07 58.25 3hrz s TYR 563 Cb -0.17 -3.58 0.00 0.00 -0.40 0.00 0.00 41.96 37.81 3hrz s TYR 563 CO 0.11 -2.17 0.00 0.41 -1.57 0.00 0.00 175.55 172.33 3hrz n GLY 564 N 0.57 2.12 0.43 0.71 0.00 -0.50 -4.95 105.19 103.58 3hrz n GLY 564 Ca 0.09 -0.87 0.24 0.00 0.00 0.00 0.00 46.02 45.48 3hrz n GLY 564 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3hrz h GLN 565 N 0.00 0.14 0.00 1.61 1.08 -1.97 -2.98 115.11 112.99 3hrz h GLN 565 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3hrz h GLN 565 Cb 0.00 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 3hrz h GLN 565 CO 0.00 0.09 0.00 0.25 -0.95 0.00 0.00 178.83 178.22 3hrz n THR 566 N -4.37 0.00 -3.86 -0.54 -2.24 -1.26 -4.42 114.28 97.58 3hrz n THR 566 Ca 0.17 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 61.18 3hrz n THR 566 Cb 0.80 1.04 -0.15 0.00 -2.10 0.00 0.00 70.33 69.92 3hrz n THR 566 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3hrz s ILE 567 N -0.26 1.41 0.03 2.28 1.01 -1.12 -3.77 121.20 120.77 3hrz s ILE 567 Ca 0.00 -1.59 -0.01 0.00 0.00 0.00 0.00 60.65 59.05 3hrz s ILE 567 Cb 0.00 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 3hrz s ILE 567 CO 0.00 -0.50 -0.01 -0.13 0.00 0.00 0.00 174.94 174.30 3hrz s ARG 568 N 1.37 0.44 0.44 2.79 0.52 0.27 -1.41 118.95 123.37 3hrz s ARG 568 Ca 0.06 -0.81 -0.13 0.00 -0.52 0.00 0.00 55.73 54.33 3hrz s ARG 568 Cb -0.18 0.16 -0.07 0.00 0.52 0.00 0.00 34.95 35.37 3hrz s ARG 568 CO -0.15 -0.08 0.85 -1.25 0.02 0.00 0.00 175.30 174.69 3hrz s PRO 569 N -2.35 3.88 0.03 3.54 0.05 -1.26 -2.87 135.00 136.01 3hrz s PRO 569 Ca -0.08 0.68 0.00 0.00 0.05 0.00 0.00 61.00 61.66 3hrz s PRO 569 Cb -0.03 -2.30 -0.04 0.00 0.05 0.00 0.00 34.50 32.18 3hrz s PRO 569 CO -0.04 -0.10 0.11 -1.50 0.05 0.00 0.00 177.00 175.52 3hrz s ILE 570 N -2.42 4.86 0.40 0.56 2.07 -0.43 -0.28 121.20 125.96 3hrz s ILE 570 Ca 0.55 -0.47 -0.26 0.00 -1.41 0.00 0.00 60.65 59.06 3hrz s ILE 570 Cb -0.10 -3.28 -0.09 0.00 0.13 0.00 0.00 42.46 39.12 3hrz s ILE 570 CO 0.29 0.26 1.26 0.00 -1.91 0.00 0.00 174.94 174.84 3hrz s LEU 572 N -2.43 3.51 0.57 0.00 1.43 -1.26 -1.21 118.68 119.29 3hrz s LEU 572 Ca 0.57 -0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 53.08 3hrz s LEU 572 Cb -0.36 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 3hrz s LEU 572 CO 0.46 0.01 1.21 -2.84 0.23 0.00 0.00 176.35 175.42 3hrz s PRO 573 N -3.51 3.08 -1.33 1.29 0.02 -1.26 -3.83 135.00 129.47 3hrz s PRO 573 Ca 0.31 1.84 -0.06 0.00 0.02 0.00 0.00 61.00 63.11 3hrz s PRO 573 Cb -0.08 -2.00 0.02 0.00 0.02 0.00 0.00 34.50 32.46 3hrz s PRO 573 CO 0.22 -1.12 1.07 0.00 -0.33 0.00 0.00 177.00 176.84 3hrz s THR 575 N -3.36 1.81 0.20 0.00 -4.23 -1.25 -2.22 115.64 106.60 3hrz s THR 575 Ca 0.38 -2.19 -0.10 0.00 -1.18 0.00 0.00 61.69 58.60 3hrz s THR 575 Cb -0.17 -2.33 0.14 0.00 1.34 0.00 0.00 72.50 71.47 3hrz s THR 575 CO 0.75 -0.39 1.84 -0.33 -0.54 0.00 0.00 174.62 175.95 3hrz h GLU 576 N 2.34 0.80 -0.69 3.99 5.08 -0.94 -2.18 114.58 122.97 3hrz h GLU 576 Ca -0.40 -0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.03 3hrz h GLU 576 Cb 1.23 -0.18 -0.08 0.00 0.50 0.00 0.00 28.75 30.22 3hrz h GLU 576 CO 0.65 0.53 0.28 0.78 -1.00 0.00 0.00 179.01 180.25 3hrz h GLY 577 N 0.82 1.01 1.82 -3.84 0.00 -1.84 -0.84 103.07 100.20 3hrz h GLY 577 Ca 0.28 -0.15 -0.18 0.00 0.00 0.00 0.00 47.33 47.27 3hrz h GLY 577 CO -0.11 -0.04 -0.82 -0.84 0.00 0.00 0.00 176.54 174.73 3hrz h THR 578 N 0.46 1.49 -1.00 4.70 2.02 -1.72 0.27 112.91 119.13 3hrz h THR 578 Ca 0.36 -2.54 0.02 0.00 0.77 0.00 0.00 66.41 65.03 3hrz h THR 578 Cb 0.48 2.39 -0.05 0.00 -1.74 0.00 0.00 68.15 69.23 3hrz h THR 578 CO -0.34 0.74 0.66 0.74 0.37 0.00 0.00 175.52 177.68 3hrz h THR 579 N 0.10 1.22 0.04 3.16 2.02 -0.85 -1.26 112.91 117.34 3hrz h THR 579 Ca -0.03 -0.45 -0.23 0.00 0.77 0.00 0.00 66.41 66.47 3hrz h THR 579 Cb 1.42 -0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3hrz h THR 579 CO 0.12 0.24 -1.02 0.03 0.37 0.00 0.00 175.52 175.26 3hrz h ARG 580 N 1.31 0.21 -0.59 6.66 3.08 -0.86 0.86 114.38 125.06 3hrz h ARG 580 Ca 0.38 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3hrz h ARG 580 Cb -0.08 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3hrz h ARG 580 CO -0.10 1.06 0.24 0.00 -1.07 0.00 0.00 179.97 180.11 3hrz h ALA 581 N 0.82 1.32 -0.06 0.04 0.00 -0.10 -1.97 119.26 119.31 3hrz h ALA 581 Ca -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hrz h ALA 581 Cb 1.71 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3hrz h ALA 581 CO 0.16 0.51 0.00 1.28 0.00 0.00 0.00 179.25 181.20 3hrz n LEU 582 N -4.33 1.12 -2.67 0.00 4.77 -0.51 -4.72 117.00 110.66 3hrz n LEU 582 Ca 0.05 -0.42 -0.18 0.00 -0.03 0.00 0.00 56.01 55.43 3hrz n LEU 582 Cb 0.16 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.26 3hrz n LEU 582 CO 0.39 0.21 0.11 0.54 -1.33 0.00 0.00 177.39 177.31 3hrz n ARG 583 N -0.09 -5.17 -3.67 3.23 5.12 -0.74 -5.01 116.66 110.33 3hrz n ARG 583 Ca 0.18 0.67 -0.20 0.00 -1.93 0.00 0.00 57.85 56.56 3hrz n ARG 583 Cb 0.27 -5.12 -0.03 0.00 -1.16 0.00 0.00 32.46 26.42 3hrz n ARG 583 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3hrz s LEU 584 N -5.61 3.68 0.68 0.55 1.43 0.27 -5.02 118.68 114.66 3hrz s LEU 584 Ca 0.36 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 3hrz s LEU 584 Cb -0.16 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.70 3hrz s LEU 584 CO 0.45 -0.41 1.06 -2.84 0.23 0.00 0.00 176.35 174.83 3hrz s PRO 585 N -4.07 3.01 0.00 1.29 0.02 -1.26 -4.56 135.00 129.43 3hrz s PRO 585 Ca 0.43 0.98 0.02 0.00 0.02 0.00 0.00 61.00 62.46 3hrz s PRO 585 Cb -0.07 -2.00 0.10 0.00 0.02 0.00 0.00 34.50 32.56 3hrz s PRO 585 CO 0.28 -1.04 1.08 -0.35 -0.33 0.00 0.00 177.00 176.63 3hrz n PRO 586 N -2.97 0.00 0.00 5.54 -0.04 -1.26 -1.37 135.00 134.89 3hrz n PRO 586 Ca 0.08 0.46 0.13 0.00 -0.04 0.00 0.00 63.50 64.12 3hrz n PRO 586 Cb 0.53 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.84 3hrz n PRO 586 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3hrz n THR 587 N -1.50 0.00 -1.70 0.52 -2.24 -1.26 -4.94 114.28 103.16 3hrz n THR 587 Ca 0.01 -0.15 -0.43 0.00 -2.27 0.00 0.00 64.05 61.20 3hrz n THR 587 Cb 0.03 0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 3hrz n THR 587 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3hrz n THR 588 N -0.51 1.18 -3.15 4.28 -1.04 -0.47 -4.98 114.28 109.58 3hrz n THR 588 Ca 0.12 -0.30 -0.18 0.00 -2.04 0.00 0.00 64.05 61.66 3hrz n THR 588 Cb 0.36 -1.63 0.01 0.00 -1.82 0.00 0.00 70.33 67.25 3hrz n THR 588 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3hrz s THR 589 N -0.25 3.36 0.17 12.58 -4.23 -1.26 -4.98 115.64 121.03 3hrz s THR 589 Ca 0.64 -0.98 -0.12 0.00 -1.18 0.00 0.00 61.69 60.05 3hrz s THR 589 Cb -0.59 -3.14 0.07 0.00 1.34 0.00 0.00 72.50 70.18 3hrz s THR 589 CO 0.52 -0.06 1.75 0.00 -0.54 0.00 0.00 174.62 176.29 3hrz h GLN 591 N 0.81 1.03 -0.13 0.00 5.75 -1.99 -1.24 115.11 119.33 3hrz h GLN 591 Ca 0.20 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 58.53 3hrz h GLN 591 Cb 0.15 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 3hrz h GLN 591 CO -0.02 0.68 -0.39 1.96 -2.65 0.00 0.00 178.83 178.41 3hrz h GLN 592 N 1.06 0.28 -0.46 1.69 4.20 -1.77 -1.33 115.11 118.78 3hrz h GLN 592 Ca 0.33 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.84 3hrz h GLN 592 Cb 0.01 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3hrz h GLN 592 CO -0.09 0.64 0.03 1.96 -0.67 0.00 0.00 178.83 180.70 3hrz h GLN 593 N 0.24 0.80 -0.61 1.46 4.20 -0.55 -2.50 115.11 118.14 3hrz h GLN 593 Ca 0.02 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.47 3hrz h GLN 593 Cb 0.80 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 3hrz h GLN 593 CO 0.06 0.84 0.27 -0.22 -0.67 0.00 0.00 178.83 179.10 3hrz h LYS 594 N 0.65 0.90 -0.27 1.46 3.64 -0.97 0.68 116.57 122.67 3hrz h LYS 594 Ca 0.14 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3hrz h LYS 594 Cb 0.46 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3hrz h LYS 594 CO 0.02 0.75 0.05 0.93 -2.27 0.00 0.00 179.45 178.93 3hrz h GLU 595 N 0.84 0.38 0.13 1.90 5.08 -1.23 0.20 114.58 121.89 3hrz h GLU 595 Ca 0.21 -0.05 -0.24 0.00 -1.00 0.00 0.00 59.36 58.27 3hrz h GLU 595 Cb 0.17 -0.07 0.03 0.00 0.50 0.00 0.00 28.75 29.37 3hrz h GLU 595 CO -0.02 0.37 -1.02 1.49 -1.00 0.00 0.00 179.01 178.83 3hrz h GLU 596 N 0.38 0.46 0.15 2.33 4.57 -0.92 -3.29 114.58 118.26 3hrz h GLU 596 Ca 0.09 -0.67 -0.32 0.00 -1.18 0.00 0.00 59.36 57.29 3hrz h GLU 596 Cb 0.17 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3hrz h GLU 596 CO -0.00 1.30 -1.59 -0.07 -1.18 0.00 0.00 179.01 177.46 3hrz h LEU 597 N -0.05 0.51 -5.85 1.64 3.38 -0.77 -3.41 115.31 110.76 3hrz h LEU 597 Ca -0.16 -0.90 -0.58 0.00 0.09 0.00 0.00 57.88 56.32 3hrz h LEU 597 Cb 1.76 -0.17 -0.41 0.00 0.09 0.00 0.00 40.66 41.93 3hrz h LEU 597 CO 0.19 1.71 -0.72 0.18 0.09 0.00 0.00 178.44 179.90 3hrz n LEU 598 N -3.75 3.37 -4.71 1.67 4.77 0.70 -5.05 117.00 114.00 3hrz n LEU 598 Ca -0.25 -5.41 -0.30 0.00 -0.03 0.00 0.00 56.01 50.02 3hrz n LEU 598 Cb 0.99 -0.37 0.13 0.00 -2.33 0.00 0.00 43.42 41.84 3hrz n LEU 598 CO 0.47 2.18 0.67 -2.16 -1.33 0.00 0.00 177.39 177.22 3hrz s PRO 599 N -2.67 1.48 -1.22 3.23 0.04 -1.24 -4.67 135.00 129.95 3hrz s PRO 599 Ca 0.42 1.12 -0.18 0.00 0.04 0.00 0.00 61.00 62.41 3hrz s PRO 599 Cb 0.21 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.92 3hrz s PRO 599 CO -0.07 -2.17 2.02 0.00 0.04 0.00 0.00 177.00 176.82 3hrz n ALA 600 N -3.88 4.19 -3.52 8.56 0.00 -1.26 -4.71 120.51 119.89 3hrz n ALA 600 Ca 0.09 -3.64 -0.11 0.00 0.00 0.00 0.00 53.44 49.78 3hrz n ALA 600 Cb 0.54 -3.57 0.01 0.00 0.00 0.00 0.00 19.45 16.42 3hrz n ALA 600 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3hrz s GLN 601 N 4.21 2.17 -0.15 0.00 0.74 -1.22 -4.38 119.66 121.02 3hrz s GLN 601 Ca 0.53 -1.57 -0.29 0.00 0.05 0.00 0.00 55.36 54.08 3hrz s GLN 601 Cb 0.11 0.57 -0.01 0.00 1.10 0.00 0.00 33.01 34.78 3hrz s GLN 601 CO 0.02 -0.98 1.09 -0.51 -0.55 0.00 0.00 175.29 174.36 3hrz s ASP 602 N -3.13 7.11 -0.25 6.67 1.01 -1.26 -1.59 116.67 125.23 3hrz s ASP 602 Ca 0.20 1.54 -0.04 0.00 0.71 0.00 0.00 52.55 54.97 3hrz s ASP 602 Cb -0.04 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.35 3hrz s ASP 602 CO 0.15 -0.60 -0.02 -0.63 0.21 0.00 0.00 175.17 174.28 3hrz s ILE 603 N 2.74 3.40 0.16 0.77 1.01 0.17 -4.89 121.20 124.56 3hrz s ILE 603 Ca 0.49 -0.67 -0.31 0.00 0.00 0.00 0.00 60.65 60.15 3hrz s ILE 603 Cb -0.19 -2.65 -0.10 0.00 0.01 0.00 0.00 42.46 39.54 3hrz s ILE 603 CO 0.13 0.28 1.52 -0.75 0.00 0.00 0.00 174.94 176.13 3hrz s LYS 604 N 1.45 4.24 0.02 2.79 2.20 -1.26 -0.54 119.74 128.64 3hrz s LYS 604 Ca 0.04 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 57.94 3hrz s LYS 604 Cb -0.16 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 3hrz s LYS 604 CO -0.02 -0.56 0.03 0.00 -0.36 0.00 0.00 175.35 174.44 3hrz n ALA 605 N 3.88 -0.01 -3.45 3.13 0.00 0.24 -4.67 120.51 119.63 3hrz n ALA 605 Ca 0.13 -0.11 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 3hrz n ALA 605 Cb 0.39 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 3hrz n ALA 605 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3hrz s LEU 606 N 0.00 -0.59 0.21 0.00 0.05 -0.12 -1.65 118.68 116.58 3hrz s LEU 606 Ca 0.02 0.21 -0.00 0.00 0.05 0.00 0.00 54.13 54.41 3hrz s LEU 606 Cb -0.00 2.58 -0.04 0.00 -2.05 0.00 0.00 46.19 46.67 3hrz s LEU 606 CO 0.01 -0.86 0.12 0.72 -0.55 0.00 0.00 176.35 175.79 3hrz s PHE 607 N -2.99 1.26 -0.17 3.48 -0.71 -0.74 -0.12 117.98 117.99 3hrz s PHE 607 Ca -0.03 -1.31 -0.01 0.00 -1.04 0.00 0.00 56.93 54.54 3hrz s PHE 607 Cb -0.01 -0.65 -0.01 0.00 -1.21 0.00 0.00 43.02 41.14 3hrz s PHE 607 CO -0.06 -0.54 -0.11 0.08 -1.34 0.00 0.00 175.22 173.25 3hrz s VAL 608 N -4.04 3.04 -0.01 -2.49 1.01 -1.26 -0.52 120.40 116.13 3hrz s VAL 608 Ca 0.38 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.79 3hrz s VAL 608 Cb 0.07 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 3hrz s VAL 608 CO 0.12 0.49 -0.21 -0.55 0.00 0.00 0.00 175.10 174.95 3hrz s SER 609 N 0.89 3.54 -0.31 3.32 0.15 -0.57 -4.89 113.70 115.82 3hrz s SER 609 Ca -0.03 -0.38 -0.21 0.00 0.70 0.00 0.00 55.95 56.03 3hrz s SER 609 Cb -0.15 -0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 63.60 3hrz s SER 609 CO -0.00 0.31 0.65 -0.70 1.20 0.00 0.00 173.24 174.70 3hrz s GLU 610 N -0.89 3.87 -0.36 5.44 2.12 -1.26 -1.31 118.70 126.31 3hrz s GLU 610 Ca 0.12 0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.77 3hrz s GLU 610 Cb -0.10 -3.74 0.10 0.00 0.26 0.00 0.00 34.13 30.65 3hrz s GLU 610 CO 0.01 -0.62 0.09 -2.00 -0.54 0.00 0.00 175.26 172.20 3hrz s GLU 611 N 2.68 1.61 -0.76 4.30 2.12 0.66 -4.78 118.70 124.52 3hrz s GLU 611 Ca 0.26 -1.87 -0.04 0.00 0.36 0.00 0.00 54.97 53.67 3hrz s GLU 611 Cb -0.15 -3.30 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 3hrz s GLU 611 CO 0.12 -0.97 0.67 0.39 -0.54 0.00 0.00 175.26 174.93 3hrz n GLU 612 N 4.32 -1.62 -1.08 4.30 1.02 -1.26 -3.13 120.64 123.18 3hrz n GLU 612 Ca 0.03 0.63 -0.03 0.00 -0.02 0.00 0.00 57.16 57.77 3hrz n GLU 612 Cb 0.42 -4.64 -0.01 0.00 -0.02 0.00 0.00 31.44 27.18 3hrz n GLU 612 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3hrz n LYS 613 N -2.74 -1.76 -4.65 3.49 5.02 -1.26 -4.95 118.16 111.30 3hrz n LYS 613 Ca -0.05 0.56 -0.33 0.00 -2.02 0.00 0.00 58.31 56.47 3hrz n LYS 613 Cb 0.59 -4.93 -0.16 0.00 -0.02 0.00 0.00 35.03 30.51 3hrz n LYS 613 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3hrz s LYS 614 N -2.08 3.02 0.39 1.97 1.02 -1.19 -5.12 119.74 117.76 3hrz s LYS 614 Ca 0.00 -0.85 -0.25 0.00 0.02 0.00 0.00 55.97 54.89 3hrz s LYS 614 Cb 0.00 -2.44 -0.09 0.00 -0.52 0.00 0.00 37.83 34.78 3hrz s LYS 614 CO 0.00 -0.02 1.08 -0.51 -0.92 0.00 0.00 175.35 174.98 3hrz s LEU 615 N 0.83 4.18 -0.20 3.17 1.43 -1.26 -0.25 118.68 126.58 3hrz s LEU 615 Ca -0.07 2.14 -0.19 0.00 -1.03 0.00 0.00 54.13 54.99 3hrz s LEU 615 Cb -0.15 -4.10 0.05 0.00 0.03 0.00 0.00 46.19 42.01 3hrz s LEU 615 CO -0.02 -0.53 0.54 0.28 0.23 0.00 0.00 176.35 176.84 3hrz s THR 616 N -1.55 0.00 0.06 5.49 -1.32 -0.43 -4.92 115.64 112.97 3hrz s THR 616 Ca 0.57 -0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.80 3hrz s THR 616 Cb -0.25 -0.75 -0.06 0.00 -1.51 0.00 0.00 72.50 69.93 3hrz s THR 616 CO 0.31 -0.00 0.75 -0.13 -2.21 0.00 0.00 174.62 173.34 3hrz s ARG 617 N 0.26 4.49 -0.16 7.08 0.52 -1.26 -1.51 118.95 128.37 3hrz s ARG 617 Ca -0.00 1.05 0.02 0.00 -0.52 0.00 0.00 55.73 56.27 3hrz s ARG 617 Cb -0.04 -3.34 0.01 0.00 0.52 0.00 0.00 34.95 32.10 3hrz s ARG 617 CO 0.01 0.35 -0.21 0.15 0.02 0.00 0.00 175.30 175.62 3hrz s LYS 618 N -0.27 3.03 -0.18 3.54 -0.14 0.32 -4.98 119.74 121.06 3hrz s LYS 618 Ca 0.37 -0.84 -0.23 0.00 -1.36 0.00 0.00 55.97 53.92 3hrz s LYS 618 Cb -0.21 -2.50 -0.02 0.00 -1.68 0.00 0.00 37.83 33.42 3hrz s LYS 618 CO 0.23 -0.08 0.72 -2.00 -0.76 0.00 0.00 175.35 173.46 3hrz s GLU 619 N 0.99 4.25 0.25 1.68 2.12 -1.26 -1.79 118.70 124.95 3hrz s GLU 619 Ca -0.03 0.80 0.01 0.00 0.36 0.00 0.00 54.97 56.12 3hrz s GLU 619 Cb -0.15 -3.57 -0.05 0.00 0.26 0.00 0.00 34.13 30.62 3hrz s GLU 619 CO -0.06 -0.27 0.09 0.14 -0.54 0.00 0.00 175.26 174.62 3hrz s VAL 620 N 1.99 0.58 -0.12 3.70 -7.23 -0.66 -4.34 120.40 114.32 3hrz s VAL 620 Ca 0.33 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.53 3hrz s VAL 620 Cb -0.16 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.18 3hrz s VAL 620 CO 0.11 -0.03 -0.22 -0.31 -0.31 0.00 0.00 175.10 174.34 3hrz s TYR 621 N -3.74 2.63 -0.14 2.82 2.02 -1.26 -0.60 117.35 119.08 3hrz s TYR 621 Ca 0.37 -1.15 -0.26 0.00 -0.37 0.00 0.00 57.07 55.65 3hrz s TYR 621 Cb 0.08 -1.77 -0.02 0.00 -0.40 0.00 0.00 41.96 39.85 3hrz s TYR 621 CO 0.13 -0.49 0.88 0.42 -1.57 0.00 0.00 175.55 174.91 3hrz s ILE 622 N 0.56 4.86 -1.02 2.71 1.01 0.30 -4.20 121.20 125.42 3hrz s ILE 622 Ca -0.13 1.75 -0.18 0.00 0.00 0.00 0.00 60.65 62.08 3hrz s ILE 622 Cb -0.17 -4.19 0.12 0.00 0.01 0.00 0.00 42.46 38.24 3hrz s ILE 622 CO 0.04 0.04 1.26 -0.54 0.00 0.00 0.00 174.94 175.74 3hrz s LYS 623 N 2.01 3.72 -0.02 2.79 -0.14 -0.28 -0.65 119.74 127.15 3hrz s LYS 623 Ca 0.41 -1.85 0.15 0.00 -1.36 0.00 0.00 55.97 53.32 3hrz s LYS 623 Cb -0.17 -5.04 0.45 0.00 -1.68 0.00 0.00 37.83 31.39 3hrz s LYS 623 CO 0.14 -1.86 1.38 -1.71 -0.76 0.00 0.00 175.35 172.55 3hrz n ASN 624 N 6.78 3.44 0.00 2.83 5.15 -0.62 -3.66 115.26 129.18 3hrz n ASN 624 Ca 0.29 -2.11 0.00 0.00 -0.60 0.00 0.00 54.58 52.16 3hrz n ASN 624 Cb 0.48 -0.35 0.00 0.00 -0.53 0.00 0.00 39.78 39.37 3hrz n ASN 624 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hrz n GLY 625 N 0.80 1.74 0.27 8.20 0.00 -1.12 -3.45 105.19 111.63 3hrz n GLY 625 Ca 0.17 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.36 3hrz n GLY 625 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3hrz h ASP 626 N 0.00 0.00 0.36 1.61 2.03 -1.91 -2.68 116.42 115.83 3hrz h ASP 626 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3hrz h ASP 626 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3hrz h ASP 626 CO 0.00 0.00 -0.58 0.29 -1.03 0.00 0.00 179.24 177.92 3hrz n LYS 627 N -2.99 0.11 -0.14 4.15 5.02 -1.26 -4.44 118.16 118.61 3hrz n LYS 627 Ca 0.00 -0.07 -0.03 0.00 -2.02 0.00 0.00 58.31 56.19 3hrz n LYS 627 Cb 0.26 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.82 3hrz n LYS 627 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3hrz h LYS 628 N 0.17 0.09 -0.12 1.97 3.64 -1.54 -1.03 116.57 119.74 3hrz h LYS 628 Ca 0.00 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3hrz h LYS 628 Cb 0.51 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 3hrz h LYS 628 CO 0.00 0.06 -0.11 0.78 -2.27 0.00 0.00 179.45 177.90 3hrz h GLY 629 N 0.09 -0.02 1.94 5.01 0.00 -1.80 -0.62 103.07 107.66 3hrz h GLY 629 Ca 0.23 0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.59 3hrz h GLY 629 CO -0.40 -0.12 -0.46 1.48 0.00 0.00 0.00 176.54 177.04 3hrz h SER 630 N -0.13 0.07 -0.10 0.19 4.64 -1.75 -1.34 113.55 115.13 3hrz h SER 630 Ca 0.09 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 3hrz h SER 630 Cb 0.26 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3hrz h SER 630 CO -0.21 0.52 0.03 0.00 -0.87 0.00 0.00 176.83 176.31 3hrz h GLU 632 N -0.03 1.23 0.00 0.00 5.08 -0.84 -2.77 114.58 117.24 3hrz h GLU 632 Ca 0.03 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3hrz h GLU 632 Cb 0.22 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3hrz h GLU 632 CO -0.00 0.90 0.00 0.00 -1.00 0.00 0.00 179.01 178.91 3hrz h ARG 633 N 1.23 0.00 0.00 2.33 3.08 -1.26 -1.16 114.38 118.61 3hrz h ARG 633 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 3hrz h ARG 633 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3hrz h ARG 633 CO -0.05 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.60 3hrz n ASP 634 N -2.97 0.00 0.27 7.04 8.00 -1.04 -2.49 116.55 125.37 3hrz n ASP 634 Ca -0.00 0.41 0.11 0.00 0.71 0.00 0.00 54.79 56.01 3hrz n ASP 634 Cb 0.22 -0.45 0.74 0.00 -0.02 0.00 0.00 41.12 41.62 3hrz n ASP 634 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hrz h ALA 635 N 2.48 1.80 0.00 2.24 0.00 -1.38 -2.51 119.26 121.89 3hrz h ALA 635 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hrz h ALA 635 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hrz h ALA 635 CO 0.00 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.26 3hrz n GLN 636 N -4.26 0.96 -0.03 0.00 10.64 -1.04 -1.89 117.38 121.76 3hrz n GLN 636 Ca -0.03 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.26 3hrz n GLN 636 Cb 0.09 -1.37 0.12 0.00 -0.86 0.00 0.00 30.24 28.22 3hrz n GLN 636 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3hrz n TYR 637 N -0.87 0.08 -2.29 2.61 4.01 -0.94 -4.52 117.16 115.24 3hrz n TYR 637 Ca 0.17 -0.04 -0.36 0.00 -0.16 0.00 0.00 57.90 57.51 3hrz n TYR 637 Cb 0.08 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.10 3hrz n TYR 637 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hrz s ALA 638 N -1.89 2.90 0.29 -0.72 0.00 -0.79 -4.95 121.76 116.60 3hrz s ALA 638 Ca 0.29 0.87 -0.29 0.00 0.00 0.00 0.00 51.96 52.83 3hrz s ALA 638 Cb 0.20 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.86 3hrz s ALA 638 CO 0.30 -0.64 1.43 -2.14 0.00 0.00 0.00 175.76 174.71 3hrz s PRO 639 N -2.88 4.25 0.00 0.00 0.02 -1.26 -1.75 135.00 133.38 3hrz s PRO 639 Ca 0.66 2.35 0.00 0.00 0.02 0.00 0.00 61.00 64.03 3hrz s PRO 639 Cb -0.26 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.19 3hrz s PRO 639 CO 0.31 -0.41 0.00 0.41 -0.33 0.00 0.00 177.00 176.99 3hrz n GLY 640 N 1.67 3.19 1.15 0.52 0.00 -1.26 -4.87 105.19 105.59 3hrz n GLY 640 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 3hrz n GLY 640 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hrz n TYR 641 N -1.41 0.93 0.30 1.61 4.01 -0.72 -4.44 117.16 117.44 3hrz n TYR 641 Ca 0.00 -0.41 0.16 0.00 -0.16 0.00 0.00 57.90 57.49 3hrz n TYR 641 Cb 0.00 -0.08 0.94 0.00 -0.31 0.00 0.00 39.34 39.88 3hrz n TYR 641 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 3hrz h ASP 642 N 3.27 0.00 0.62 7.72 3.04 -1.79 -1.56 116.42 127.71 3hrz h ASP 642 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3hrz h ASP 642 Cb 0.94 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.23 3hrz h ASP 642 CO 0.08 0.03 -0.72 0.29 -2.04 0.00 0.00 179.24 176.88 3hrz n LYS 643 N -3.59 0.20 -1.75 4.15 5.02 -1.26 -4.91 118.16 116.01 3hrz n LYS 643 Ca -0.03 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 3hrz n LYS 643 Cb 0.12 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.50 3hrz n LYS 643 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hrz s VAL 644 N -3.13 2.25 -0.23 -0.18 1.01 -0.59 -4.91 120.40 114.62 3hrz s VAL 644 Ca 0.07 0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.19 3hrz s VAL 644 Cb 0.15 -3.05 -0.20 0.00 0.00 0.00 0.00 36.38 33.28 3hrz s VAL 644 CO 0.74 0.00 -0.09 0.29 0.00 0.00 0.00 175.10 176.04 3hrz n LYS 645 N 4.48 0.67 -3.93 2.72 5.02 -1.26 -4.86 118.16 121.00 3hrz n LYS 645 Ca 0.16 0.12 -0.29 0.00 -2.02 0.00 0.00 58.31 56.28 3hrz n LYS 645 Cb 0.36 -1.54 -0.16 0.00 -0.02 0.00 0.00 35.03 33.67 3hrz n LYS 645 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hrz s ASP 646 N -6.27 2.96 0.61 4.39 -1.08 -1.26 -5.02 116.67 110.99 3hrz s ASP 646 Ca -0.27 -0.70 0.33 0.00 -0.52 0.00 0.00 52.55 51.39 3hrz s ASP 646 Cb 0.08 -1.02 1.78 0.00 -1.46 0.00 0.00 42.92 42.31 3hrz s ASP 646 CO 0.68 -0.16 1.99 0.16 0.52 0.00 0.00 175.17 178.36 3hrz h ILE 647 N 6.36 0.00 0.00 4.11 3.07 -1.95 0.32 117.51 129.41 3hrz h ILE 647 Ca -0.26 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.15 3hrz h ILE 647 Cb 1.11 0.73 0.00 0.00 -0.27 0.00 0.00 36.82 38.39 3hrz h ILE 647 CO 0.43 0.00 0.00 0.77 -1.05 0.00 0.00 178.15 178.30 3hrz h SER 648 N 0.00 0.00 0.53 2.16 4.64 -1.96 0.30 113.55 119.21 3hrz h SER 648 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3hrz h SER 648 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3hrz h SER 648 CO 0.00 0.00 -0.26 -0.33 -0.87 0.00 0.00 176.83 175.37 3hrz h GLU 649 N 0.00 0.00 0.00 4.77 5.08 -0.80 -3.35 114.58 120.28 3hrz h GLU 649 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hrz h GLU 649 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3hrz h GLU 649 CO 0.00 0.26 -0.97 1.33 -1.00 0.00 0.00 179.01 178.62 3hrz n VAL 650 N -3.74 0.00 -3.66 3.13 0.24 -0.44 -4.93 118.33 108.92 3hrz n VAL 650 Ca -0.01 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.90 3hrz n VAL 650 Cb 0.36 -0.11 -0.12 0.00 -1.47 0.00 0.00 33.84 32.51 3hrz n VAL 650 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3hrz s VAL 651 N -1.96 4.30 0.45 3.34 1.01 0.93 -4.72 120.40 123.74 3hrz s VAL 651 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.18 3hrz s VAL 651 Cb 0.00 -3.36 0.07 0.00 0.00 0.00 0.00 36.38 33.08 3hrz s VAL 651 CO 0.00 -0.15 0.55 0.35 0.00 0.00 0.00 175.10 175.85 3hrz n THR 652 N 4.93 0.00 0.65 3.92 -2.24 -1.26 -4.25 114.28 116.03 3hrz n THR 652 Ca -0.12 -1.57 0.08 0.00 -2.27 0.00 0.00 64.05 60.16 3hrz n THR 652 Cb 0.46 -0.49 0.37 0.00 -2.10 0.00 0.00 70.33 68.57 3hrz n THR 652 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3hrz n PRO 653 N -1.87 0.12 0.00 -0.78 -0.02 -1.26 -2.91 135.00 128.28 3hrz n PRO 653 Ca 0.09 0.18 0.13 0.00 -2.02 0.00 0.00 63.50 61.88 3hrz n PRO 653 Cb 0.48 -1.50 0.62 0.00 -0.02 0.00 0.00 33.50 33.07 3hrz n PRO 653 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hrz n ARG 654 N -1.39 0.24 -3.87 -0.52 3.00 -1.26 -4.90 116.66 107.96 3hrz n ARG 654 Ca 0.06 0.05 -0.37 0.00 -0.01 0.00 0.00 57.85 57.58 3hrz n ARG 654 Cb 0.15 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.05 3hrz n ARG 654 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3hrz s PHE 655 N -2.72 3.60 0.10 -1.55 0.08 -1.14 0.15 117.98 116.49 3hrz s PHE 655 Ca 0.20 0.53 0.04 0.00 0.12 0.00 0.00 56.93 57.82 3hrz s PHE 655 Cb 0.17 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 3hrz s PHE 655 CO 0.42 0.73 0.06 -0.51 -0.10 0.00 0.00 175.22 175.82 3hrz s LEU 656 N -1.10 3.69 -0.06 -0.37 1.43 0.46 -4.77 118.68 117.95 3hrz s LEU 656 Ca 0.16 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 3hrz s LEU 656 Cb -0.12 -2.37 0.01 0.00 0.03 0.00 0.00 46.19 43.74 3hrz s LEU 656 CO 0.05 0.15 -0.14 0.00 0.23 0.00 0.00 176.35 176.64 3hrz n THR 658 N 3.56 0.00 0.00 0.00 -2.24 -0.22 -1.13 114.28 114.25 3hrz n THR 658 Ca -0.21 -1.76 0.00 0.00 -2.27 0.00 0.00 64.05 59.82 3hrz n THR 658 Cb 0.52 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 3hrz n THR 658 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hrz n GLY 659 N -0.05 -0.22 3.31 3.38 0.00 -1.26 -1.05 105.19 109.31 3hrz n GLY 659 Ca -0.03 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.16 3hrz n GLY 659 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrz n GLY 660 N -0.22 -1.84 0.08 -0.02 0.00 -1.11 -4.75 105.19 97.33 3hrz n GLY 660 Ca 0.00 -1.74 0.01 0.00 0.00 0.00 0.00 46.02 44.29 3hrz n GLY 660 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hrz n VAL 661 N 0.00 0.00 -4.69 1.61 0.24 -1.25 -1.12 118.33 113.12 3hrz n VAL 661 Ca 0.00 -0.48 -0.32 0.00 -2.04 0.00 0.00 64.34 61.50 3hrz n VAL 661 Cb 0.00 1.04 -0.17 0.00 -1.47 0.00 0.00 33.84 33.25 3hrz n VAL 661 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3hrz s SER 662 N -0.58 3.08 0.21 -1.34 0.15 -1.26 -2.99 113.70 110.97 3hrz s SER 662 Ca 0.03 -0.60 0.15 0.00 0.70 0.00 0.00 55.95 56.23 3hrz s SER 662 Cb 0.02 -1.43 -0.01 0.00 -1.71 0.00 0.00 66.02 62.90 3hrz s SER 662 CO 0.06 0.08 1.27 1.55 1.20 0.00 0.00 173.24 177.40 3hrz h PRO 663 N 7.30 0.00 -5.01 5.44 0.14 -1.93 -3.49 132.00 134.45 3hrz h PRO 663 Ca -0.32 0.00 -0.35 0.00 0.14 0.00 0.00 66.00 65.47 3hrz h PRO 663 Cb 1.19 0.00 -0.14 0.00 0.14 0.00 0.00 31.00 32.19 3hrz h PRO 663 CO 0.55 0.47 -0.66 0.71 0.14 0.00 0.00 178.00 179.21 3hrz s TYR 664 N -2.94 1.44 -0.34 1.56 2.02 -1.16 -5.09 117.35 112.84 3hrz s TYR 664 Ca 0.02 -0.93 -0.29 0.00 -0.37 0.00 0.00 57.07 55.50 3hrz s TYR 664 Cb 0.08 -0.82 -0.01 0.00 -0.40 0.00 0.00 41.96 40.81 3hrz s TYR 664 CO 0.77 -0.07 1.62 0.00 -1.57 0.00 0.00 175.55 176.30 3hrz s ALA 665 N -3.47 3.01 0.15 3.71 0.00 -1.24 -3.95 121.76 119.96 3hrz s ALA 665 Ca 0.26 0.15 -0.17 0.00 0.00 0.00 0.00 51.96 52.20 3hrz s ALA 665 Cb 0.05 -3.96 -0.07 0.00 0.00 0.00 0.00 23.12 19.15 3hrz s ALA 665 CO 0.07 -2.41 0.60 -0.51 0.00 0.00 0.00 175.76 173.50 3hrz s ASP 666 N 4.95 6.93 0.63 0.00 1.01 -0.28 -5.00 116.67 124.91 3hrz s ASP 666 Ca 0.71 1.20 -0.16 0.00 0.71 0.00 0.00 52.55 55.02 3hrz s ASP 666 Cb -0.20 -2.34 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 3hrz s ASP 666 CO 0.32 0.12 1.10 -2.16 0.21 0.00 0.00 175.17 174.76 3hrz s PRO 667 N -1.79 3.01 0.11 8.23 0.04 -1.26 -4.54 135.00 138.80 3hrz s PRO 667 Ca 0.37 1.37 0.05 0.00 0.04 0.00 0.00 61.00 62.83 3hrz s PRO 667 Cb -0.16 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3hrz s PRO 667 CO 0.20 -1.08 0.02 -0.80 0.04 0.00 0.00 177.00 175.37 3hrz s ASN 668 N -2.54 5.06 0.48 6.66 -0.87 -1.26 -4.68 114.94 117.80 3hrz s ASN 668 Ca 0.67 -0.20 -0.22 0.00 -1.57 0.00 0.00 52.86 51.54 3hrz s ASN 668 Cb -0.20 -1.21 -0.07 0.00 -0.02 0.00 0.00 41.25 39.76 3hrz s ASN 668 CO 0.38 0.15 1.16 0.42 -2.57 0.00 0.00 177.10 176.64 3hrz s THR 669 N -1.42 3.11 0.42 1.60 -4.23 -1.26 -5.06 115.64 108.79 3hrz s THR 669 Ca 0.27 0.79 0.02 0.00 -1.18 0.00 0.00 61.69 61.59 3hrz s THR 669 Cb -0.11 -3.38 -0.00 0.00 1.34 0.00 0.00 72.50 70.34 3hrz s THR 669 CO 0.19 -0.05 0.62 0.00 -0.54 0.00 0.00 174.62 174.84 3hrz h ARG 671 N 0.52 0.47 -0.63 0.00 3.08 -1.97 -0.35 114.38 115.50 3hrz h ARG 671 Ca -0.46 -0.03 0.18 0.00 0.07 0.00 0.00 59.98 59.74 3hrz h ARG 671 Cb 1.25 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 3hrz h ARG 671 CO 0.56 0.31 0.45 0.78 -1.07 0.00 0.00 179.97 181.00 3hrz h GLY 672 N 0.48 0.03 1.78 0.04 0.00 -1.95 -2.33 103.07 101.12 3hrz h GLY 672 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.68 3hrz h GLY 672 CO -0.32 0.00 -0.11 1.22 0.00 0.00 0.00 176.54 177.33 3hrz n ASP 673 N -4.36 0.13 -4.66 0.19 8.00 -0.14 -3.87 116.55 111.84 3hrz n ASP 673 Ca 0.12 0.34 -0.44 0.00 0.71 0.00 0.00 54.79 55.51 3hrz n ASP 673 Cb 0.69 -0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 41.43 3hrz n ASP 673 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3hrz n SER 674 N -1.52 2.48 0.00 -2.24 2.88 -0.88 -1.89 113.62 112.46 3hrz n SER 674 Ca 0.07 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 3hrz n SER 674 Cb 0.34 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 3hrz n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hrz n GLY 675 N 1.63 2.28 3.69 0.46 0.00 0.84 -0.62 105.19 113.47 3hrz n GLY 675 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3hrz n GLY 675 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hrz s GLY 676 N -2.12 1.56 0.17 -0.02 0.00 -0.79 -3.79 107.32 102.33 3hrz s GLY 676 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 44.72 43.99 3hrz s GLY 676 CO 0.00 0.19 1.02 2.56 0.00 0.00 0.00 173.10 176.87 3hrz s PRO 677 N -5.04 4.69 -0.25 2.90 0.05 -1.26 0.11 135.00 136.20 3hrz s PRO 677 Ca 0.65 1.58 -0.11 0.00 0.05 0.00 0.00 61.00 63.17 3hrz s PRO 677 Cb -0.18 -3.31 -0.05 0.00 0.05 0.00 0.00 34.50 31.01 3hrz s PRO 677 CO 0.57 0.22 0.20 -1.17 0.05 0.00 0.00 177.00 176.87 3hrz s LEU 678 N -0.44 4.09 -0.00 -3.56 2.96 0.98 -4.41 118.68 118.30 3hrz s LEU 678 Ca 0.47 0.12 0.07 0.00 -0.22 0.00 0.00 54.13 54.57 3hrz s LEU 678 Cb -0.27 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 44.24 3hrz s LEU 678 CO 0.33 0.01 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.50 3hrz s ILE 679 N 1.34 2.36 -0.20 6.68 1.01 0.82 -0.85 121.20 132.37 3hrz s ILE 679 Ca 0.09 -1.12 -0.05 0.00 0.00 0.00 0.00 60.65 59.57 3hrz s ILE 679 Cb -0.14 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 3hrz s ILE 679 CO 0.07 0.50 0.00 -0.69 0.00 0.00 0.00 174.94 174.82 3hrz s VAL 680 N -0.72 4.00 -0.42 2.92 1.01 0.16 -0.95 120.40 126.40 3hrz s VAL 680 Ca 0.11 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 3hrz s VAL 680 Cb -0.10 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.49 3hrz s VAL 680 CO 0.01 0.43 0.47 -2.28 0.00 0.00 0.00 175.10 173.73 3hrz s HIS 681 N 0.92 3.16 -0.06 5.22 2.46 -1.26 -1.36 115.29 124.37 3hrz s HIS 681 Ca 0.01 -0.30 -0.05 0.00 0.47 0.00 0.00 55.06 55.20 3hrz s HIS 681 Cb -0.14 -2.95 0.02 0.00 -0.13 0.00 0.00 32.58 29.37 3hrz s HIS 681 CO 0.02 -0.71 0.15 0.21 -2.47 0.00 0.00 174.74 171.94 3hrz s LYS 682 N 2.24 0.17 -1.59 2.88 2.20 0.31 -4.82 119.74 121.12 3hrz s LYS 682 Ca 0.14 0.23 -0.18 0.00 -0.36 0.00 0.00 55.97 55.80 3hrz s LYS 682 Cb -0.17 0.06 0.16 0.00 -1.51 0.00 0.00 37.83 36.37 3hrz s LYS 682 CO 0.14 -0.04 0.65 0.54 -0.36 0.00 0.00 175.35 176.29 3hrz n ARG 683 N 3.14 -2.60 -1.00 4.03 5.12 -1.26 -0.71 116.66 123.37 3hrz n ARG 683 Ca -0.14 0.31 -0.00 0.00 -1.93 0.00 0.00 57.85 56.09 3hrz n ARG 683 Cb 0.58 -4.99 -0.00 0.00 -1.16 0.00 0.00 32.46 26.89 3hrz n ARG 683 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3hrz n SER 684 N -2.48 -3.09 -4.39 0.55 7.64 -1.26 -4.82 113.62 105.77 3hrz n SER 684 Ca 0.07 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.74 3hrz n SER 684 Cb 0.49 -0.59 -0.10 0.00 -1.01 0.00 0.00 64.21 62.99 3hrz n SER 684 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3hrz s ARG 685 N -0.14 1.44 -0.24 1.43 1.81 0.11 -4.66 118.95 118.70 3hrz s ARG 685 Ca 0.00 -1.63 -0.04 0.00 -1.72 0.00 0.00 55.73 52.34 3hrz s ARG 685 Cb 0.00 -1.37 -0.00 0.00 -0.45 0.00 0.00 34.95 33.13 3hrz s ARG 685 CO 0.00 0.25 -0.01 -0.06 -0.68 0.00 0.00 175.30 174.79 3hrz s PHE 686 N -2.70 3.02 -0.18 -0.53 0.08 0.12 -0.53 117.98 117.25 3hrz s PHE 686 Ca 0.24 -0.96 0.01 0.00 0.12 0.00 0.00 56.93 56.34 3hrz s PHE 686 Cb -0.03 -2.14 0.02 0.00 -0.57 0.00 0.00 43.02 40.30 3hrz s PHE 686 CO 0.10 -0.55 -0.19 0.42 -0.10 0.00 0.00 175.22 174.89 3hrz s ILE 687 N 1.48 2.01 0.05 0.64 1.09 -0.46 -2.97 121.20 123.04 3hrz s ILE 687 Ca 0.05 -0.92 -0.31 0.00 -1.10 0.00 0.00 60.65 58.37 3hrz s ILE 687 Cb -0.15 -1.83 -0.05 0.00 -1.06 0.00 0.00 42.46 39.37 3hrz s ILE 687 CO -0.02 0.52 1.19 -1.58 -0.10 0.00 0.00 174.94 174.95 3hrz s GLN 688 N 1.31 4.43 -0.01 2.79 0.74 -0.35 -0.66 119.66 127.91 3hrz s GLN 688 Ca 0.05 1.75 0.04 0.00 0.05 0.00 0.00 55.36 57.24 3hrz s GLN 688 Cb -0.13 -3.36 -0.06 0.00 1.10 0.00 0.00 33.01 30.56 3hrz s GLN 688 CO -0.13 -0.26 0.08 1.33 -0.55 0.00 0.00 175.29 175.77 3hrz n VAL 689 N 3.96 0.02 -3.91 1.34 0.24 -0.03 -4.13 118.33 115.82 3hrz n VAL 689 Ca 0.09 -0.09 -0.09 0.00 -2.04 0.00 0.00 64.34 62.20 3hrz n VAL 689 Cb 0.47 0.31 -0.06 0.00 -1.47 0.00 0.00 33.84 33.08 3hrz n VAL 689 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3hrz s GLY 690 N -2.52 0.35 -0.14 7.63 0.00 -1.07 -1.19 107.32 110.38 3hrz s GLY 690 Ca -0.01 -0.75 -0.01 0.00 0.00 0.00 0.00 44.72 43.95 3hrz s GLY 690 CO 0.16 -0.73 -0.10 0.14 0.00 0.00 0.00 173.10 172.57 3hrz s VAL 691 N -3.94 3.33 0.07 1.40 1.01 -0.65 -0.02 120.40 121.60 3hrz s VAL 691 Ca 0.15 -0.56 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 3hrz s VAL 691 Cb 0.03 -2.42 -0.08 0.00 0.00 0.00 0.00 36.38 33.91 3hrz s VAL 691 CO -0.01 0.52 1.66 -0.63 0.00 0.00 0.00 175.10 176.63 3hrz s ILE 692 N 0.31 3.01 0.02 2.22 1.01 0.12 -1.17 121.20 126.73 3hrz s ILE 692 Ca -0.08 0.47 -0.02 0.00 0.00 0.00 0.00 60.65 61.02 3hrz s ILE 692 Cb -0.15 -3.30 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 3hrz s ILE 692 CO 0.05 -0.00 -0.04 -0.24 0.00 0.00 0.00 174.94 174.71 3hrz n SER 693 N 5.59 0.68 -3.62 3.58 2.88 -0.35 -0.11 113.62 122.27 3hrz n SER 693 Ca 0.16 0.09 -0.10 0.00 -1.33 0.00 0.00 58.87 57.69 3hrz n SER 693 Cb 0.40 -0.27 -0.04 0.00 -0.75 0.00 0.00 64.21 63.55 3hrz n SER 693 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3hrz s TRP 694 N -1.62 -0.26 0.15 0.66 1.48 -0.95 -4.81 118.94 113.59 3hrz s TRP 694 Ca -0.03 -0.04 0.05 0.00 -1.06 0.00 0.00 56.10 55.02 3hrz s TRP 694 Cb 0.00 0.38 -0.04 0.00 -1.16 0.00 0.00 33.47 32.65 3hrz s TRP 694 CO 0.05 -0.81 -0.12 0.20 -4.06 0.00 0.00 176.95 172.21 3hrz s GLY 695 N -2.81 1.14 0.02 3.67 0.00 -1.26 0.16 107.32 108.23 3hrz s GLY 695 Ca 0.05 -1.49 -0.17 0.00 0.00 0.00 0.00 44.72 43.10 3hrz s GLY 695 CO -0.09 -1.58 1.02 -2.08 0.00 0.00 0.00 173.10 170.37 3hrz h VAL 696 N 2.86 1.34 -3.82 1.40 2.07 -1.61 -3.46 116.25 115.03 3hrz h VAL 696 Ca -0.37 -2.52 -0.59 0.00 0.82 0.00 0.00 66.70 64.03 3hrz h VAL 696 Cb 1.20 2.92 -0.32 0.00 -1.52 0.00 0.00 31.29 33.57 3hrz h VAL 696 CO 0.61 0.75 -0.85 -0.69 0.02 0.00 0.00 177.57 177.41 3hrz s VAL 697 N -2.75 1.57 -0.71 2.57 1.01 -1.26 -4.17 120.40 116.65 3hrz s VAL 697 Ca -0.11 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 60.84 3hrz s VAL 697 Cb 0.04 -1.35 0.05 0.00 0.00 0.00 0.00 36.38 35.12 3hrz s VAL 697 CO 0.91 0.45 1.14 -0.62 0.00 0.00 0.00 175.10 176.97 3hrz s ASP 698 N 0.09 6.18 -0.37 3.32 2.15 -1.26 -4.87 116.67 121.91 3hrz s ASP 698 Ca -0.06 -0.74 0.06 0.00 0.43 0.00 0.00 52.55 52.24 3hrz s ASP 698 Cb -0.13 -2.49 0.53 0.00 -0.30 0.00 0.00 42.92 40.53 3hrz s ASP 698 CO 0.03 -1.64 1.60 0.55 -0.17 0.00 0.00 175.17 175.54 3hrz n VAL 699 N 6.17 2.82 -3.53 1.11 3.14 -1.26 -5.19 118.33 121.59 3hrz n VAL 699 Ca 0.01 -2.79 -0.29 0.00 -2.96 0.00 0.00 64.34 58.32 3hrz n VAL 699 Cb 0.47 -0.55 -0.12 0.00 -1.06 0.00 0.00 33.84 32.59 3hrz n VAL 699 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hrz n LYS 707 N 3.53 0.00 -3.51 0.00 5.02 -1.26 -5.12 118.16 116.82 3hrz n LYS 707 Ca 0.16 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.26 3hrz n LYS 707 Cb 0.39 -0.01 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 3hrz n LYS 707 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3hrz n GLN 708 N -1.55 -0.76 -2.63 1.97 6.02 -1.26 -4.87 117.38 114.29 3hrz n GLN 708 Ca 0.00 0.18 -0.41 0.00 -0.01 0.00 0.00 57.00 56.77 3hrz n GLN 708 Cb 0.00 -1.15 -0.05 0.00 1.02 0.00 0.00 30.24 30.06 3hrz n GLN 708 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hrz s VAL 709 N -3.18 4.10 0.66 5.09 1.01 -1.26 -5.03 120.40 121.80 3hrz s VAL 709 Ca 0.11 1.86 -0.15 0.00 0.00 0.00 0.00 61.98 63.80 3hrz s VAL 709 Cb -0.06 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.13 3hrz s VAL 709 CO 0.53 0.34 1.13 -2.84 0.00 0.00 0.00 175.10 174.26 3hrz s PRO 710 N -0.48 2.74 0.43 2.72 0.02 -1.26 -4.94 135.00 134.22 3hrz s PRO 710 Ca 0.46 1.47 0.18 0.00 0.02 0.00 0.00 61.00 63.13 3hrz s PRO 710 Cb -0.27 -1.94 0.96 0.00 0.02 0.00 0.00 34.50 33.28 3hrz s PRO 710 CO 0.33 -1.31 1.91 0.00 -0.33 0.00 0.00 177.00 177.60 3hrz h ALA 711 N 0.07 1.36 -0.04 -1.55 0.00 -1.96 -2.45 119.26 114.70 3hrz h ALA 711 Ca -0.47 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3hrz h ALA 711 Cb 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3hrz h ALA 711 CO 0.54 0.34 0.00 -2.39 0.00 0.00 0.00 179.25 177.73 3hrz n HIS 712 N -3.94 0.05 -2.39 0.00 1.44 -1.26 -4.33 115.22 104.78 3hrz n HIS 712 Ca -0.02 -0.02 -0.37 0.00 -2.01 0.00 0.00 57.72 55.30 3hrz n HIS 712 Cb 0.35 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.43 3hrz n HIS 712 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hrz s ALA 713 N -1.95 2.70 0.24 1.59 0.00 -0.92 -4.76 121.76 118.65 3hrz s ALA 713 Ca 0.24 -2.53 0.04 0.00 0.00 0.00 0.00 51.96 49.72 3hrz s ALA 713 Cb 0.12 -4.64 -0.03 0.00 0.00 0.00 0.00 23.12 18.57 3hrz s ALA 713 CO 0.19 -4.00 0.37 1.03 0.00 0.00 0.00 175.76 173.35 3hrz s ARG 714 N 5.15 3.45 -0.01 0.00 1.81 -1.26 -2.76 118.95 125.33 3hrz s ARG 714 Ca 0.58 -0.69 0.08 0.00 -1.72 0.00 0.00 55.73 53.98 3hrz s ARG 714 Cb 0.01 -2.87 -0.02 0.00 -0.45 0.00 0.00 34.95 31.62 3hrz s ARG 714 CO 0.07 0.41 -0.25 -0.51 -0.68 0.00 0.00 175.30 174.34 3hrz s ASP 715 N -3.89 2.96 -0.04 0.23 1.01 -0.21 -1.61 116.67 115.12 3hrz s ASP 715 Ca 0.35 -0.48 0.03 0.00 0.71 0.00 0.00 52.55 53.16 3hrz s ASP 715 Cb -0.09 -0.32 -0.03 0.00 1.01 0.00 0.00 42.92 43.49 3hrz s ASP 715 CO 0.30 0.30 -0.12 -0.36 0.21 0.00 0.00 175.17 175.49 3hrz s PHE 716 N -0.63 2.76 0.01 4.23 0.08 0.12 -1.06 117.98 123.50 3hrz s PHE 716 Ca 0.10 -0.11 0.02 0.00 0.12 0.00 0.00 56.93 57.05 3hrz s PHE 716 Cb -0.10 -1.64 -0.01 0.00 -0.57 0.00 0.00 43.02 40.71 3hrz s PHE 716 CO -0.00 0.24 -0.06 -1.01 -0.10 0.00 0.00 175.22 174.29 3hrz s HIS 717 N -0.78 0.50 -0.02 0.36 3.76 0.64 -1.22 115.29 118.54 3hrz s HIS 717 Ca 0.12 -0.25 -0.30 0.00 -0.15 0.00 0.00 55.06 54.48 3hrz s HIS 717 Cb -0.11 -0.31 -0.04 0.00 1.11 0.00 0.00 32.58 33.22 3hrz s HIS 717 CO 0.02 -0.04 1.27 0.42 -0.85 0.00 0.00 174.74 175.55 3hrz s ILE 718 N -0.64 4.03 -0.29 0.60 -1.09 -0.31 0.17 121.20 123.68 3hrz s ILE 718 Ca -0.03 1.40 -0.29 0.00 -2.23 0.00 0.00 60.65 59.49 3hrz s ILE 718 Cb -0.05 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 3hrz s ILE 718 CO -0.00 0.02 1.22 0.21 -1.23 0.00 0.00 174.94 175.16 3hrz s ASN 719 N 1.52 6.80 0.40 3.58 3.84 0.39 -1.64 114.94 129.83 3hrz s ASN 719 Ca 0.59 1.23 0.17 0.00 0.21 0.00 0.00 52.86 55.06 3hrz s ASN 719 Cb -0.28 -2.54 0.87 0.00 -0.55 0.00 0.00 41.25 38.75 3hrz s ASN 719 CO 0.25 -0.96 1.86 -0.07 -2.79 0.00 0.00 177.10 175.38 3hrz h LEU 720 N 10.44 0.00 -1.75 3.21 3.38 -1.46 0.41 115.31 129.53 3hrz h LEU 720 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3hrz h LEU 720 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3hrz h LEU 720 CO 1.02 0.32 0.00 -0.26 0.09 0.00 0.00 178.44 179.61 3hrz h PHE 721 N 0.00 0.00 -0.02 1.13 0.04 -1.91 -2.08 116.94 114.10 3hrz h PHE 721 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3hrz h PHE 721 Cb 0.64 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.79 3hrz h PHE 721 CO 0.00 0.00 -0.38 1.04 -0.60 0.00 0.00 178.31 178.37 3hrz n GLN 722 N -2.43 1.26 -0.71 1.51 1.13 0.13 -4.19 117.38 114.08 3hrz n GLN 722 Ca -0.02 -0.99 0.05 0.00 -1.94 0.00 0.00 57.00 54.10 3hrz n GLN 722 Cb 0.04 -1.48 0.08 0.00 0.11 0.00 0.00 30.24 29.00 3hrz n GLN 722 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 3hrz n VAL 723 N -0.01 0.88 -0.33 5.09 0.24 -0.80 -4.89 118.33 118.51 3hrz n VAL 723 Ca 0.10 -1.47 0.00 0.00 -2.04 0.00 0.00 64.34 60.94 3hrz n VAL 723 Cb 0.46 0.32 0.14 0.00 -1.47 0.00 0.00 33.84 33.28 3hrz n VAL 723 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3hrz h LEU 724 N 0.49 0.94 -0.95 1.34 3.38 -1.68 -1.87 115.31 116.97 3hrz h LEU 724 Ca -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3hrz h LEU 724 Cb 1.37 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 3hrz h LEU 724 CO 0.03 0.62 0.32 -0.65 0.09 0.00 0.00 178.44 178.85 3hrz h PRO 725 N 1.09 1.07 0.05 1.13 0.11 -1.91 0.75 132.00 134.28 3hrz h PRO 725 Ca 0.38 -0.17 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 3hrz h PRO 725 Cb 0.09 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.02 3hrz h PRO 725 CO -0.15 0.86 -0.02 2.35 -0.21 0.00 0.00 178.00 180.83 3hrz h TRP 726 N 1.06 -0.06 0.11 0.65 7.01 -1.90 -1.65 115.95 121.17 3hrz h TRP 726 Ca 0.25 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.27 3hrz h TRP 726 Cb 0.17 0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.20 3hrz h TRP 726 CO 0.02 0.21 -0.41 -0.07 -2.79 0.00 0.00 178.44 175.40 3hrz h LEU 727 N -0.32 -1.19 -0.72 0.65 3.38 -1.00 0.44 115.31 116.54 3hrz h LEU 727 Ca -0.01 0.13 0.15 0.00 0.09 0.00 0.00 57.88 58.24 3hrz h LEU 727 Cb 0.29 0.45 -0.10 0.00 0.09 0.00 0.00 40.66 41.39 3hrz h LEU 727 CO 0.01 -0.48 0.23 0.11 0.09 0.00 0.00 178.44 178.40 3hrz h LYS 728 N -0.63 0.34 0.02 1.13 1.57 0.48 -1.60 116.57 117.87 3hrz h LYS 728 Ca 0.03 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hrz h LYS 728 Cb 0.66 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3hrz h LYS 728 CO -0.24 0.22 -0.01 1.49 -0.57 0.00 0.00 179.45 180.34 3hrz h GLU 729 N 0.35 -0.03 0.00 3.15 4.81 -0.90 -2.33 114.58 119.62 3hrz h GLU 729 Ca 0.40 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.54 3hrz h GLU 729 Cb 0.64 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 3hrz h GLU 729 CO -0.44 0.26 -0.43 0.87 -0.73 0.00 0.00 179.01 178.54 3hrz h LYS 730 N -0.32 0.00 -0.36 1.92 1.79 -0.66 -3.10 116.57 115.83 3hrz h LYS 730 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3hrz h LYS 730 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 3hrz h LYS 730 CO 0.01 0.43 0.00 1.28 -1.08 0.00 0.00 179.45 180.09 3hrz n LEU 731 N -3.78 4.08 -0.17 2.94 4.77 -0.63 -4.71 117.00 119.51 3hrz n LEU 731 Ca -0.01 -2.77 0.22 0.00 -0.03 0.00 0.00 56.01 53.42 3hrz n LEU 731 Cb 0.50 -0.51 0.61 0.00 -2.33 0.00 0.00 43.42 41.68 3hrz n LEU 731 CO 0.39 0.69 1.23 0.06 -1.33 0.00 0.00 177.39 178.43 3hrz h GLN 732 N 2.41 0.20 -0.61 3.23 3.07 -1.34 -2.15 115.11 119.92 3hrz h GLN 732 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 3hrz h GLN 732 Cb 1.40 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.91 3hrz h GLN 732 CO 0.22 0.13 0.00 -0.25 0.09 0.00 0.00 178.83 179.03 3hrz n ASP 733 N -4.41 4.72 -0.94 0.06 8.00 -1.26 -4.53 116.55 118.19 3hrz n ASP 733 Ca 0.17 -2.49 0.10 0.00 0.71 0.00 0.00 54.79 53.28 3hrz n ASP 733 Cb 0.75 -0.57 0.26 0.00 -0.02 0.00 0.00 41.12 41.54 3hrz n ASP 733 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hrz n GLU 734 N 0.99 2.20 -2.84 -1.24 -0.58 -0.81 -4.94 120.64 113.42 3hrz n GLU 734 Ca 0.25 -1.85 -0.21 0.00 -0.42 0.00 0.00 57.16 54.94 3hrz n GLU 734 Cb 0.89 -1.44 0.02 0.00 -0.57 0.00 0.00 31.44 30.35 3hrz n GLU 734 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3hrz n ASP 735 N 1.02 -5.78 0.07 1.62 9.92 -1.26 -4.90 116.55 117.23 3hrz n ASP 735 Ca 0.18 -0.22 0.11 0.00 -0.53 0.00 0.00 54.79 54.34 3hrz n ASP 735 Cb 0.46 -4.65 -0.04 0.00 -0.64 0.00 0.00 41.12 36.25 3hrz n ASP 735 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3hrz n LEU 736 N -3.56 0.59 -2.68 0.64 4.77 -1.26 -5.02 117.00 110.46 3hrz n LEU 736 Ca -0.13 0.21 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 3hrz n LEU 736 Cb 0.63 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.71 3hrz n LEU 736 CO 0.40 -0.12 0.04 0.61 -1.33 0.00 0.00 177.39 176.99 3hrz n GLY 737 N 1.22 -0.53 3.77 -0.72 0.00 -1.26 -3.85 105.19 103.81 3hrz n GLY 737 Ca -0.01 0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 3hrz n GLY 737 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hrz s PHE 738 N -3.25 2.57 -0.04 1.61 0.08 -1.26 -0.57 117.98 117.11 3hrz s PHE 738 Ca 0.29 1.56 -0.01 0.00 0.12 0.00 0.00 56.93 58.89 3hrz s PHE 738 Cb -0.04 -3.20 -0.00 0.00 -0.57 0.00 0.00 43.02 39.21 3hrz s PHE 738 CO 0.51 -1.77 -0.02 -0.07 -0.10 0.00 0.00 175.22 173.76 3hrz h LEU 739 N 0.02 0.00 0.00 -0.37 3.38 -1.81 -3.47 115.31 113.07 3hrz h LEU 739 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3hrz h LEU 739 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3hrz h LEU 739 CO 0.54 0.22 0.00 0.00 0.09 0.00 0.00 178.44 179.29