#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n04 n ILE 2 N 0.00 0.00 -4.37 0.00 5.41 -1.26 -4.98 119.36 114.16 3n04 n ILE 2 Ca 0.00 0.00 -0.27 0.00 1.00 0.00 0.00 62.75 63.48 3n04 n ILE 2 Cb 0.00 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 38.81 3n04 n ILE 2 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3n04 s ARG 3 N 0.00 1.35 -0.18 0.38 0.52 -0.62 -4.95 118.95 115.44 3n04 s ARG 3 Ca 0.00 -1.35 0.01 0.00 -0.52 0.00 0.00 55.73 53.86 3n04 s ARG 3 Cb 0.00 -1.72 0.04 0.00 0.52 0.00 0.00 34.95 33.79 3n04 s ARG 3 CO 0.00 0.39 -0.12 0.21 0.02 0.00 0.00 175.30 175.81 3n04 s LYS 4 N -2.23 2.13 -0.21 3.54 2.20 -1.25 -0.90 119.74 123.02 3n04 s LYS 4 Ca 0.14 -0.77 -0.11 0.00 -0.36 0.00 0.00 55.97 54.88 3n04 s LYS 4 Cb -0.09 -2.34 -0.05 0.00 -1.51 0.00 0.00 37.83 33.84 3n04 s LYS 4 CO 0.07 -0.37 0.16 0.71 -0.36 0.00 0.00 175.35 175.55 3n04 s TYR 5 N 1.42 3.39 -0.14 4.03 2.02 -0.05 -0.54 117.35 127.47 3n04 s TYR 5 Ca 0.01 0.33 -0.03 0.00 -0.37 0.00 0.00 57.07 57.01 3n04 s TYR 5 Cb -0.15 -2.22 -0.03 0.00 -0.40 0.00 0.00 41.96 39.17 3n04 s TYR 5 CO -0.09 0.22 -0.05 0.50 -1.57 0.00 0.00 175.55 174.55 3n04 s ARG 6 N 0.58 3.53 -0.06 -0.62 3.52 -1.26 -0.46 118.95 124.19 3n04 s ARG 6 Ca 0.09 -0.55 0.05 0.00 -0.13 0.00 0.00 55.73 55.19 3n04 s ARG 6 Cb -0.12 -2.83 -0.01 0.00 -1.56 0.00 0.00 34.95 30.43 3n04 s ARG 6 CO 0.01 0.29 -0.21 0.71 -0.81 0.00 0.00 175.30 175.28 3n04 s TYR 7 N 0.22 2.13 0.00 5.12 2.02 -0.12 -5.02 117.35 121.70 3n04 s TYR 7 Ca -0.03 -0.66 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 3n04 s TYR 7 Cb -0.14 -1.41 0.00 0.00 -0.40 0.00 0.00 41.96 40.00 3n04 s TYR 7 CO 0.03 -0.22 0.00 0.41 -1.57 0.00 0.00 175.55 174.20 3n04 n GLY 8 N 3.12 3.06 2.78 0.71 0.00 -1.10 -1.78 105.19 111.98 3n04 n GLY 8 Ca -0.18 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 3n04 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n04 s ALA 9 N -1.88 3.05 0.50 4.61 0.00 -1.26 -4.91 121.76 121.87 3n04 s ALA 9 Ca 0.00 -3.32 -0.22 0.00 0.00 0.00 0.00 51.96 48.42 3n04 s ALA 9 Cb 0.00 -2.02 -0.06 0.00 0.00 0.00 0.00 23.12 21.04 3n04 s ALA 9 CO 0.00 -2.06 1.24 -2.14 0.00 0.00 0.00 175.76 172.80 3n04 s PRO 10 N -0.75 3.47 0.26 0.00 0.02 -1.26 -4.84 135.00 131.91 3n04 s PRO 10 Ca 0.24 1.95 -0.30 0.00 0.02 0.00 0.00 61.00 62.92 3n04 s PRO 10 Cb -0.09 -2.32 -0.09 0.00 0.02 0.00 0.00 34.50 32.02 3n04 s PRO 10 CO -0.12 -0.84 1.23 0.12 -0.33 0.00 0.00 177.00 177.05 3n04 s PHE 11 N -1.46 3.33 -0.71 6.54 5.36 -1.26 -4.97 117.98 124.80 3n04 s PHE 11 Ca 0.68 1.45 -0.27 0.00 -0.96 0.00 0.00 56.93 57.83 3n04 s PHE 11 Cb -0.33 -3.50 0.01 0.00 -0.34 0.00 0.00 43.02 38.86 3n04 s PHE 11 CO 0.40 -1.36 1.53 0.34 -1.46 0.00 0.00 175.22 174.67 3n04 s ASP 12 N -0.28 5.80 0.31 6.13 2.15 -1.26 -4.87 116.67 124.65 3n04 s ASP 12 Ca 0.50 -0.21 0.23 0.00 0.43 0.00 0.00 52.55 53.50 3n04 s ASP 12 Cb -0.35 -2.55 0.28 0.00 -0.30 0.00 0.00 42.92 40.00 3n04 s ASP 12 CO 0.43 -2.06 1.41 0.71 -0.17 0.00 0.00 175.17 175.49 3n04 h THR 13 N 6.44 0.00 -0.70 1.71 1.35 -1.95 -3.48 112.91 116.28 3n04 h THR 13 Ca -0.23 -0.90 -0.30 0.00 -0.55 0.00 0.00 66.41 64.43 3n04 h THR 13 Cb 1.09 1.69 -0.12 0.00 -1.73 0.00 0.00 68.15 69.08 3n04 h THR 13 CO 1.26 0.00 -0.27 -0.62 -0.25 0.00 0.00 175.52 175.64 3n04 n GLU 14 N -2.78 -1.25 -0.19 4.72 4.71 -1.26 -4.92 120.64 119.66 3n04 n GLU 14 Ca 0.03 1.01 -0.01 0.00 -0.01 0.00 0.00 57.16 58.17 3n04 n GLU 14 Cb 0.52 -5.23 0.09 0.00 -1.01 0.00 0.00 31.44 25.81 3n04 n GLU 14 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3n04 h ALA 15 N 0.00 0.73 -2.63 0.62 0.00 -1.93 -3.43 119.26 112.62 3n04 h ALA 15 Ca -0.30 0.08 -0.57 0.00 0.00 0.00 0.00 54.91 54.12 3n04 h ALA 15 Cb 1.08 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3n04 h ALA 15 CO 0.44 -0.21 -0.13 -0.51 0.00 0.00 0.00 179.25 178.84 3n04 s LEU 16 N -10.40 4.37 0.05 0.00 1.02 -1.26 -4.09 118.68 108.37 3n04 s LEU 16 Ca -0.13 1.01 0.22 0.00 0.02 0.00 0.00 54.13 55.25 3n04 s LEU 16 Cb 0.16 -3.11 -0.20 0.00 0.02 0.00 0.00 46.19 43.06 3n04 s LEU 16 CO 0.74 0.15 0.71 0.35 0.02 0.00 0.00 176.35 178.32 3n04 n THR 17 N 0.98 0.22 -3.61 5.49 -2.24 0.87 -4.94 114.28 111.05 3n04 n THR 17 Ca -0.07 -0.49 -0.37 0.00 -2.27 0.00 0.00 64.05 60.84 3n04 n THR 17 Cb 0.52 -0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.60 3n04 n THR 17 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3n04 s GLU 18 N -3.44 3.92 0.00 -0.78 2.12 -0.94 -5.04 118.70 114.54 3n04 s GLU 18 Ca -0.05 0.15 -0.30 0.00 0.36 0.00 0.00 54.97 55.14 3n04 s GLU 18 Cb 0.13 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 31.19 3n04 s GLU 18 CO 0.86 0.54 0.97 0.15 -0.54 0.00 0.00 175.26 177.24 3n04 s LYS 19 N -0.47 4.56 -0.06 4.30 1.02 -1.26 -5.03 119.74 122.81 3n04 s LYS 19 Ca 0.19 1.40 0.05 0.00 0.02 0.00 0.00 55.97 57.63 3n04 s LYS 19 Cb -0.14 -3.45 -0.00 0.00 -0.52 0.00 0.00 37.83 33.71 3n04 s LYS 19 CO 0.07 -0.03 -0.21 0.42 -0.92 0.00 0.00 175.35 174.68 3n04 s ILE 20 N 0.94 1.80 0.66 2.17 -1.09 -1.26 -5.13 121.20 119.30 3n04 s ILE 20 Ca 0.51 -0.91 -0.15 0.00 -2.23 0.00 0.00 60.65 57.87 3n04 s ILE 20 Cb -0.21 -1.55 0.00 0.00 -1.58 0.00 0.00 42.46 39.13 3n04 s ILE 20 CO 0.28 0.51 1.13 -1.83 -1.23 0.00 0.00 174.94 173.79 3n04 s GLU 21 N 0.09 2.71 0.01 2.79 -1.05 -1.26 -4.90 118.70 117.09 3n04 s GLU 21 Ca -0.08 1.48 -0.30 0.00 -0.15 0.00 0.00 54.97 55.91 3n04 s GLU 21 Cb -0.14 -1.93 -0.05 0.00 -0.44 0.00 0.00 34.13 31.57 3n04 s GLU 21 CO 0.05 -1.34 1.21 0.99 0.95 0.00 0.00 175.26 177.12 3n04 s THR 22 N -2.22 4.12 0.24 1.83 2.01 -1.26 -3.86 115.64 116.50 3n04 s THR 22 Ca 0.69 1.49 -0.29 0.00 0.31 0.00 0.00 61.69 63.89 3n04 s THR 22 Cb -0.22 -3.96 -0.09 0.00 0.01 0.00 0.00 72.50 68.24 3n04 s THR 22 CO 0.41 0.06 0.92 0.00 -0.69 0.00 0.00 174.62 175.32 3n04 s ALA 23 N 1.60 3.34 -0.95 7.40 0.00 0.29 -4.96 121.76 128.48 3n04 s ALA 23 Ca 0.58 0.57 0.08 0.00 0.00 0.00 0.00 51.96 53.19 3n04 s ALA 23 Cb -0.28 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 19.72 3n04 s ALA 23 CO 0.26 0.22 0.69 0.39 0.00 0.00 0.00 175.76 177.32 3n04 n GLU 24 N 1.36 0.97 -2.08 0.00 -0.58 -1.26 -4.74 120.64 114.30 3n04 n GLU 24 Ca -0.02 -0.83 -0.27 0.00 -0.42 0.00 0.00 57.16 55.62 3n04 n GLU 24 Cb 0.48 -1.11 0.09 0.00 -0.57 0.00 0.00 31.44 30.32 3n04 n GLU 24 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 3n04 s GLU 25 N -0.90 1.96 0.39 3.49 -1.05 -1.26 -5.02 118.70 116.31 3n04 s GLU 25 Ca 0.09 -0.16 -0.25 0.00 -0.15 0.00 0.00 54.97 54.50 3n04 s GLU 25 Cb 0.07 -2.07 -0.12 0.00 -0.44 0.00 0.00 34.13 31.58 3n04 s GLU 25 CO 0.14 -1.48 0.93 0.00 0.95 0.00 0.00 175.26 175.81 3n04 n ALA 26 N -3.14 -0.20 -1.94 -0.84 0.00 -1.26 -4.93 120.51 108.21 3n04 n ALA 26 Ca 0.09 0.25 -0.42 0.00 0.00 0.00 0.00 53.44 53.36 3n04 n ALA 26 Cb 0.61 -2.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.01 3n04 n ALA 26 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3n04 s PHE 27 N -1.26 2.96 -0.44 0.00 5.36 -1.26 -4.93 117.98 118.41 3n04 s PHE 27 Ca 0.62 0.58 0.23 0.00 -0.96 0.00 0.00 56.93 57.40 3n04 s PHE 27 Cb -0.60 -3.93 0.33 0.00 -0.34 0.00 0.00 43.02 38.48 3n04 s PHE 27 CO 0.58 -3.48 1.58 -1.00 -1.46 0.00 0.00 175.22 171.43 3n04 h PRO 28 N 7.05 0.00 -5.04 10.12 0.13 -2.04 -3.46 132.00 138.77 3n04 h PRO 28 Ca -0.43 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.28 3n04 h PRO 28 Cb 1.20 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.06 3n04 h PRO 28 CO 0.92 0.00 -0.79 0.71 -0.23 0.00 0.00 178.00 178.61 3n04 s TYR 29 N -3.22 1.04 0.00 1.56 2.02 -1.26 -5.10 117.35 112.40 3n04 s TYR 29 Ca 0.07 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.53 3n04 s TYR 29 Cb 0.06 -0.66 0.00 0.00 -0.40 0.00 0.00 41.96 40.96 3n04 s TYR 29 CO 0.68 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 175.06 3n04 n GLY 30 N 2.53 0.77 3.03 0.71 0.00 -1.26 -4.82 105.19 106.15 3n04 n GLY 30 Ca -0.15 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 44.93 3n04 n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3n04 s GLU 31 N 0.00 0.90 -0.15 1.61 2.02 0.11 -4.98 118.70 118.22 3n04 s GLU 31 Ca 0.00 -0.34 -0.04 0.00 0.02 0.00 0.00 54.97 54.61 3n04 s GLU 31 Cb 0.00 -0.86 -0.03 0.00 0.10 0.00 0.00 34.13 33.34 3n04 s GLU 31 CO 0.00 0.17 -0.03 0.42 0.02 0.00 0.00 175.26 175.84 3n04 s ILE 32 N -0.05 3.97 -0.06 -1.63 -1.09 -1.26 -0.99 121.20 120.10 3n04 s ILE 32 Ca 0.01 -0.34 0.04 0.00 -2.23 0.00 0.00 60.65 58.13 3n04 s ILE 32 Cb -0.06 -2.73 -0.00 0.00 -1.58 0.00 0.00 42.46 38.09 3n04 s ILE 32 CO 0.00 0.51 -0.18 -0.55 -1.23 0.00 0.00 174.94 173.48 3n04 s SER 33 N 0.20 2.35 -0.17 3.58 0.15 0.21 -4.99 113.70 115.04 3n04 s SER 33 Ca -0.02 -0.39 0.17 0.00 0.70 0.00 0.00 55.95 56.41 3n04 s SER 33 Cb -0.14 -0.77 0.46 0.00 -1.71 0.00 0.00 66.02 63.86 3n04 s SER 33 CO 0.03 0.15 1.35 0.00 1.20 0.00 0.00 173.24 175.96 3n04 n GLN 34 N 3.27 2.46 0.22 5.44 6.02 -1.26 -1.01 117.38 132.52 3n04 n GLN 34 Ca -0.19 -2.77 -0.14 0.00 -0.01 0.00 0.00 57.00 53.88 3n04 n GLN 34 Cb 0.53 -1.75 -0.08 0.00 1.02 0.00 0.00 30.24 29.95 3n04 n GLN 34 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 3n04 h LYS 35 N 1.30 -0.53 -2.17 -1.09 1.63 -1.97 -3.37 116.57 110.38 3n04 h LYS 35 Ca 0.00 0.04 -0.58 0.00 -0.85 0.00 0.00 60.65 59.26 3n04 h LYS 35 Cb 1.32 0.12 -0.41 0.00 -0.60 0.00 0.00 32.23 32.66 3n04 h LYS 35 CO 0.16 -0.25 -0.74 -0.85 -3.45 0.00 0.00 179.45 174.32 3n04 n GLU 36 N -5.24 2.27 0.00 1.90 0.00 -1.26 -5.02 120.64 113.29 3n04 n GLU 36 Ca -0.11 -4.37 0.00 0.00 0.00 0.00 0.00 57.16 52.69 3n04 n GLU 36 Cb 0.28 -2.03 0.00 0.00 0.00 0.00 0.00 31.44 29.69 3n04 n GLU 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3n04 n GLY 37 N 0.63 0.78 2.95 -1.84 0.00 -1.26 -4.88 105.19 101.57 3n04 n GLY 37 Ca 0.28 -1.17 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 3n04 n GLY 37 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3n04 s PHE 38 N 0.00 0.48 -0.11 1.61 5.36 -0.10 -4.23 117.98 121.00 3n04 s PHE 38 Ca 0.00 -0.09 -0.07 0.00 -0.96 0.00 0.00 56.93 55.81 3n04 s PHE 38 Cb 0.00 -0.33 0.04 0.00 -0.34 0.00 0.00 43.02 42.39 3n04 s PHE 38 CO 0.00 -0.02 0.26 0.00 -1.46 0.00 0.00 175.22 174.00 3n04 s ALA 39 N -0.03 -0.63 -0.17 11.12 0.00 -0.18 -1.57 121.76 130.30 3n04 s ALA 39 Ca 0.01 0.96 -0.05 0.00 0.00 0.00 0.00 51.96 52.88 3n04 s ALA 39 Cb -0.03 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 3n04 s ALA 39 CO -0.00 -0.18 -0.01 0.12 0.00 0.00 0.00 175.76 175.68 3n04 s PHE 40 N 0.90 3.06 -0.08 0.00 5.36 0.11 -0.62 117.98 126.70 3n04 s PHE 40 Ca -0.06 -0.30 0.02 0.00 -0.96 0.00 0.00 56.93 55.63 3n04 s PHE 40 Cb -0.07 -2.01 0.01 0.00 -0.34 0.00 0.00 43.02 40.61 3n04 s PHE 40 CO -0.06 -0.07 -0.15 0.99 -1.46 0.00 0.00 175.22 174.47 3n04 s THR 41 N 0.55 1.36 -0.02 0.12 2.01 -0.16 -0.24 115.64 119.25 3n04 s THR 41 Ca -0.02 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.39 3n04 s THR 41 Cb -0.14 -1.23 0.02 0.00 0.01 0.00 0.00 72.50 71.17 3n04 s THR 41 CO 0.02 0.41 0.00 -0.47 -0.69 0.00 0.00 174.62 173.89 3n04 s TYR 42 N 0.69 0.24 0.72 4.92 6.14 0.39 -0.71 117.35 129.74 3n04 s TYR 42 Ca -0.13 0.02 -0.02 0.00 0.64 0.00 0.00 57.07 57.58 3n04 s TYR 42 Cb -0.16 -0.33 0.12 0.00 0.42 0.00 0.00 41.96 42.01 3n04 s TYR 42 CO 0.03 -0.10 1.00 0.42 0.64 0.00 0.00 175.55 177.54 3n04 s ILE 43 N 0.86 2.18 0.14 3.14 -1.09 -1.26 -0.84 121.20 124.33 3n04 s ILE 43 Ca -0.08 -0.55 0.09 0.00 -2.23 0.00 0.00 60.65 57.88 3n04 s ILE 43 Cb -0.12 -2.63 -0.04 0.00 -1.58 0.00 0.00 42.46 38.09 3n04 s ILE 43 CO -0.02 0.00 -0.15 -0.62 -1.23 0.00 0.00 174.94 172.92 3n04 s ASP 45 N -4.71 4.03 0.41 3.58 2.15 -1.26 -5.00 116.67 115.87 3n04 s ASP 45 Ca 0.66 -0.57 0.13 0.00 0.43 0.00 0.00 52.55 53.20 3n04 s ASP 45 Cb -0.06 -0.62 0.96 0.00 -0.30 0.00 0.00 42.92 42.91 3n04 s ASP 45 CO 0.44 0.15 1.93 -0.08 -0.17 0.00 0.00 175.17 177.45 3n04 h GLU 46 N 3.42 0.50 -0.01 4.34 4.81 -2.03 -1.48 114.58 124.14 3n04 h GLU 46 Ca -0.48 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3n04 h GLU 46 Cb 1.18 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3n04 h GLU 46 CO 0.49 0.33 -0.14 -0.25 -0.73 0.00 0.00 179.01 178.71 3n04 n ASP 47 N -4.49 1.07 -4.76 1.04 8.00 -1.26 -4.95 116.55 111.19 3n04 n ASP 47 Ca 0.13 -1.04 -0.41 0.00 0.71 0.00 0.00 54.79 54.18 3n04 n ASP 47 Cb 0.43 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 3n04 n ASP 47 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3n04 n ASP 48 N -0.44 3.50 -4.52 -2.24 8.00 -0.56 -4.87 116.55 115.43 3n04 n ASP 48 Ca 0.15 1.19 -0.32 0.00 0.71 0.00 0.00 54.79 56.52 3n04 n ASP 48 Cb 0.33 -1.60 -0.12 0.00 -0.02 0.00 0.00 41.12 39.72 3n04 n ASP 48 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3n04 s ILE 49 N -1.14 3.25 -0.24 0.53 1.01 0.31 -4.96 121.20 119.96 3n04 s ILE 49 Ca 0.56 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 3n04 s ILE 49 Cb -0.48 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 39.63 3n04 s ILE 49 CO 0.62 0.43 -0.04 -0.69 0.00 0.00 0.00 174.94 175.26 3n04 s VAL 50 N -0.91 3.24 0.21 2.92 1.01 -1.26 -0.09 120.40 125.52 3n04 s VAL 50 Ca 0.15 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3n04 s VAL 50 Cb -0.11 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3n04 s VAL 50 CO 0.05 0.30 0.34 -0.31 0.00 0.00 0.00 175.10 175.48 3n04 s TYR 51 N 1.42 3.47 -0.99 5.22 2.02 0.31 -0.42 117.35 128.39 3n04 s TYR 51 Ca 0.03 0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.79 3n04 s TYR 51 Cb -0.15 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.78 3n04 s TYR 51 CO -0.03 0.45 0.00 0.41 -1.57 0.00 0.00 175.55 174.81 3n04 n GLY 52 N -1.09 0.56 2.45 0.71 0.00 -1.26 -0.91 105.19 105.64 3n04 n GLY 52 Ca -0.08 -2.14 -0.02 0.00 0.00 0.00 0.00 46.02 43.78 3n04 n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n04 n LEU 53 N 0.00 0.24 0.00 0.99 4.77 0.56 -4.89 117.00 118.67 3n04 n LEU 53 Ca 0.00 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3n04 n LEU 53 Cb 0.00 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 39.58 3n04 n LEU 53 CO 0.00 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.17 3n04 n GLY 54 N -1.19 1.96 3.57 -0.72 0.00 -1.25 -2.96 105.19 104.60 3n04 n GLY 54 Ca -0.02 0.38 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 3n04 n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3n04 s GLU 55 N 0.00 3.14 0.11 1.61 2.12 -1.26 -4.26 118.70 120.15 3n04 s GLU 55 Ca 0.00 -1.26 -0.01 0.00 0.36 0.00 0.00 54.97 54.06 3n04 s GLU 55 Cb 0.00 -5.32 -0.04 0.00 0.26 0.00 0.00 34.13 29.03 3n04 s GLU 55 CO 0.00 -3.07 0.03 -1.54 -0.54 0.00 0.00 175.26 170.14 3n04 s SER 56 N 5.83 0.41 0.95 -1.70 1.04 -1.16 -4.33 113.70 114.74 3n04 s SER 56 Ca 0.61 -1.15 -0.11 0.00 0.48 0.00 0.00 55.95 55.78 3n04 s SER 56 Cb -0.00 0.26 0.16 0.00 0.10 0.00 0.00 66.02 66.54 3n04 s SER 56 CO 0.05 -0.68 1.10 0.21 0.98 0.00 0.00 173.24 174.90 3n04 s ASN 57 N -3.02 2.77 0.58 7.02 3.84 -1.26 -4.90 114.94 119.97 3n04 s ASN 57 Ca 0.19 1.80 0.00 0.00 0.21 0.00 0.00 52.86 55.06 3n04 s ASN 57 Cb 0.08 -2.39 0.00 0.00 -0.55 0.00 0.00 41.25 38.38 3n04 s ASN 57 CO -0.01 -3.13 0.00 0.54 -2.79 0.00 0.00 177.10 171.71 3n04 n ARG 58 N -4.23 0.00 -1.56 0.43 1.74 -1.26 -4.98 116.66 106.80 3n04 n ARG 58 Ca 0.08 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.10 3n04 n ARG 58 Cb 0.54 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.00 3n04 n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3n04 n GLY 59 N 0.00 1.69 0.10 -0.13 0.00 -1.26 -4.91 105.19 100.67 3n04 n GLY 59 Ca 0.00 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 3n04 n GLY 59 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3n04 h ILE 60 N -0.07 1.06 -3.14 -0.61 2.04 -1.90 -3.38 117.51 111.51 3n04 h ILE 60 Ca -0.09 -0.62 -0.57 0.00 1.00 0.00 0.00 64.86 64.58 3n04 h ILE 60 Cb 0.40 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 3n04 h ILE 60 CO 0.12 0.15 1.07 0.21 0.00 0.00 0.00 178.15 179.71 3n04 s ASN 61 N -5.34 6.37 0.20 1.72 3.84 -1.26 -4.39 114.94 116.09 3n04 s ASN 61 Ca -0.15 1.03 0.26 0.00 0.21 0.00 0.00 52.86 54.22 3n04 s ASN 61 Cb 0.03 -2.54 0.84 0.00 -0.55 0.00 0.00 41.25 39.04 3n04 s ASN 61 CO 0.63 -1.36 1.78 0.29 -2.79 0.00 0.00 177.10 175.65 3n04 n LYS 62 N 7.90 0.24 -1.58 0.43 4.76 0.45 -4.90 118.16 125.46 3n04 n LYS 62 Ca 0.17 0.22 -0.42 0.00 -2.87 0.00 0.00 58.31 55.40 3n04 n LYS 62 Cb 0.47 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 3n04 n LYS 62 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3n04 n ARG 63 N -2.22 1.22 -0.32 1.97 1.74 -1.26 -3.70 116.66 114.08 3n04 n ARG 63 Ca 0.05 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 3n04 n ARG 63 Cb 0.41 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 3n04 n ARG 63 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3n04 n GLY 64 N 1.29 0.80 3.67 -0.13 0.00 0.20 -5.01 105.19 106.01 3n04 n GLY 64 Ca 0.10 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 3n04 n GLY 64 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3n04 s TYR 65 N -2.00 0.53 -0.08 1.61 5.04 -1.12 -4.72 117.35 116.60 3n04 s TYR 65 Ca 0.00 -0.99 0.04 0.00 -2.44 0.00 0.00 57.07 53.68 3n04 s TYR 65 Cb 0.00 0.42 -0.00 0.00 0.35 0.00 0.00 41.96 42.73 3n04 s TYR 65 CO 0.00 -1.36 -0.22 0.00 -1.34 0.00 0.00 175.55 172.64 3n04 s TYR 67 N 0.25 1.53 -0.17 0.00 2.02 -0.27 -4.79 117.35 115.93 3n04 s TYR 67 Ca -0.14 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.10 3n04 s TYR 67 Cb -0.16 -1.06 0.00 0.00 -0.40 0.00 0.00 41.96 40.35 3n04 s TYR 67 CO 0.06 -0.18 -0.15 0.42 -1.57 0.00 0.00 175.55 174.13 3n04 s ILE 68 N 0.20 2.57 -0.53 2.71 1.01 -0.56 0.19 121.20 126.79 3n04 s ILE 68 Ca -0.06 -0.79 -0.28 0.00 0.00 0.00 0.00 60.65 59.52 3n04 s ILE 68 Cb -0.12 -2.10 0.02 0.00 0.01 0.00 0.00 42.46 40.28 3n04 s ILE 68 CO 0.02 0.51 1.31 -0.44 0.00 0.00 0.00 174.94 176.35 3n04 s SER 69 N 1.02 6.32 -0.36 3.58 0.01 0.68 -4.23 113.70 120.71 3n04 s SER 69 Ca -0.01 0.34 -0.03 0.00 1.31 0.00 0.00 55.95 57.55 3n04 s SER 69 Cb -0.15 -2.55 0.19 0.00 0.21 0.00 0.00 66.02 63.72 3n04 s SER 69 CO -0.04 -1.54 0.90 0.21 0.41 0.00 0.00 173.24 173.18 3n04 s ASN 70 N 3.67 -0.77 -0.33 2.44 2.47 -1.26 -2.68 114.94 118.48 3n04 s ASN 70 Ca 0.50 -0.42 -0.34 0.00 0.42 0.00 0.00 52.86 53.02 3n04 s ASN 70 Cb -0.10 0.99 -0.10 0.00 -1.45 0.00 0.00 41.25 40.59 3n04 s ASN 70 CO 0.27 -0.08 2.19 0.00 -3.72 0.00 0.00 177.10 175.76 3n04 s THR 72 N 7.45 0.05 -0.72 0.00 -1.32 -1.00 -4.87 115.64 115.23 3n04 s THR 72 Ca 1.08 -0.38 -0.07 0.00 -1.21 0.00 0.00 61.69 61.11 3n04 s THR 72 Cb -0.78 -0.57 0.19 0.00 -1.51 0.00 0.00 72.50 69.83 3n04 s THR 72 CO 0.47 -0.21 0.58 -0.62 -2.21 0.00 0.00 174.62 172.63 3n04 s ASP 73 N -0.98 5.84 -0.31 8.08 3.68 -1.26 -3.87 116.67 127.85 3n04 s ASP 73 Ca -0.11 -2.83 -0.16 0.00 2.13 0.00 0.00 52.55 51.58 3n04 s ASP 73 Cb -0.05 -1.99 -0.02 0.00 -1.45 0.00 0.00 42.92 39.41 3n04 s ASP 73 CO 0.03 -0.44 0.43 -0.62 0.13 0.00 0.00 175.17 174.70 3n04 s ASP 74 N 1.21 6.28 -1.59 -0.34 -1.08 -1.26 -4.98 116.67 114.90 3n04 s ASP 74 Ca 0.18 0.10 -0.10 0.00 -0.52 0.00 0.00 52.55 52.20 3n04 s ASP 74 Cb -0.16 -2.23 -0.06 0.00 -1.46 0.00 0.00 42.92 39.01 3n04 s ASP 74 CO -0.06 -0.32 2.83 -0.81 0.52 0.00 0.00 175.17 177.33 3n04 n PRO 75 N 5.50 3.60 -4.14 4.34 -0.04 -1.26 -4.84 135.00 138.16 3n04 n PRO 75 Ca -0.07 -2.31 -0.11 0.00 -0.04 0.00 0.00 63.50 60.98 3n04 n PRO 75 Cb 0.50 -2.87 -0.09 0.00 -0.04 0.00 0.00 33.50 30.99 3n04 n PRO 75 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3n04 s ILE 76 N 2.22 0.04 0.34 0.52 -4.36 -1.26 -5.13 121.20 113.58 3n04 s ILE 76 Ca 0.66 -1.85 -0.29 0.00 -0.26 0.00 0.00 60.65 58.91 3n04 s ILE 76 Cb 0.17 -2.23 -0.11 0.00 1.25 0.00 0.00 42.46 41.54 3n04 s ILE 76 CO -0.07 -0.20 1.50 -2.28 0.24 0.00 0.00 174.94 174.13 3n04 s HIS 77 N -4.09 2.69 0.43 1.37 5.65 -1.26 -4.89 115.29 115.19 3n04 s HIS 77 Ca 0.30 1.07 0.18 0.00 0.25 0.00 0.00 55.06 56.85 3n04 s HIS 77 Cb 0.06 -4.00 1.10 0.00 -1.18 0.00 0.00 32.58 28.56 3n04 s HIS 77 CO 0.07 -3.07 1.87 1.15 -0.65 0.00 0.00 174.74 174.11 3n04 h THR 78 N 3.13 0.70 -0.05 0.89 2.02 -1.97 -2.46 112.91 115.17 3n04 h THR 78 Ca -0.49 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 66.57 3n04 h THR 78 Cb 1.23 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3n04 h THR 78 CO 0.69 0.07 0.07 -0.08 0.37 0.00 0.00 175.52 176.64 3n04 h GLU 79 N 0.39 0.00 -0.01 6.66 4.81 -2.04 -1.18 114.58 123.21 3n04 h GLU 79 Ca 0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 3n04 h GLU 79 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3n04 h GLU 79 CO -0.15 0.00 -0.39 -0.25 -0.73 0.00 0.00 179.01 177.49 3n04 n ASP 80 N -3.68 1.45 -4.70 1.04 8.00 -0.92 -4.98 116.55 112.76 3n04 n ASP 80 Ca -0.02 -1.15 -0.42 0.00 0.71 0.00 0.00 54.79 53.91 3n04 n ASP 80 Cb 0.16 0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 3n04 n ASP 80 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3n04 s LYS 81 N -2.52 4.40 0.11 -1.24 1.02 -0.45 -4.92 119.74 116.13 3n04 s LYS 81 Ca 0.21 1.72 -0.03 0.00 0.02 0.00 0.00 55.97 57.89 3n04 s LYS 81 Cb 0.19 -3.45 -0.17 0.00 -0.52 0.00 0.00 37.83 33.88 3n04 s LYS 81 CO 0.56 -0.34 1.24 0.00 -0.92 0.00 0.00 175.35 175.90 3n04 h ARG 82 N 7.12 0.30 -4.67 1.68 2.47 -1.89 -3.46 114.38 115.92 3n04 h ARG 82 Ca -0.38 -0.40 -0.38 0.00 -1.26 0.00 0.00 59.98 57.55 3n04 h ARG 82 Cb 1.19 0.13 -0.29 0.00 -1.65 0.00 0.00 29.97 29.36 3n04 h ARG 82 CO 0.84 1.13 -0.78 -1.12 0.56 0.00 0.00 179.97 180.60 3n04 s SER 83 N -7.08 1.00 0.00 7.04 0.01 -1.26 -1.50 113.70 111.91 3n04 s SER 83 Ca -0.04 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.06 3n04 s SER 83 Cb 0.08 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.20 3n04 s SER 83 CO 0.87 0.10 0.00 0.18 0.41 0.00 0.00 173.24 174.80 3n04 n LEU 84 N 2.87 0.00 0.20 2.44 4.77 -1.26 -4.82 117.00 121.20 3n04 n LEU 84 Ca -0.13 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 55.97 3n04 n LEU 84 Cb 0.57 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.89 3n04 n LEU 84 CO 0.25 0.00 0.83 1.88 -1.33 0.00 0.00 177.39 179.02 3n04 h TYR 85 N 0.00 0.00 -3.27 -1.77 0.05 -1.84 -2.65 116.97 107.49 3n04 h TYR 85 Ca 0.00 0.00 -0.64 0.00 0.05 0.00 0.00 58.73 58.14 3n04 h TYR 85 Cb 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 37.62 3n04 h TYR 85 CO 0.00 0.00 -0.66 0.20 -1.05 0.00 0.00 178.16 176.65 3n04 s GLY 86 N -4.08 1.87 -0.38 3.88 0.00 -1.26 -3.19 107.32 104.16 3n04 s GLY 86 Ca 0.08 -1.17 0.04 0.00 0.00 0.00 0.00 44.72 43.66 3n04 s GLY 86 CO 0.65 -1.15 0.10 0.00 0.00 0.00 0.00 173.10 172.70 3n04 s ALA 87 N -1.38 2.87 -0.63 3.20 0.00 -0.44 -4.56 121.76 120.82 3n04 s ALA 87 Ca 0.26 -2.64 0.04 0.00 0.00 0.00 0.00 51.96 49.62 3n04 s ALA 87 Cb -0.11 -1.99 0.15 0.00 0.00 0.00 0.00 23.12 21.18 3n04 s ALA 87 CO 0.18 -1.77 0.40 -1.01 0.00 0.00 0.00 175.76 173.56 3n04 s HIS 88 N 0.67 3.42 -0.01 0.00 3.76 -1.26 -3.77 115.29 118.10 3n04 s HIS 88 Ca 0.12 -3.27 -0.00 0.00 -0.15 0.00 0.00 55.06 51.77 3n04 s HIS 88 Cb -0.21 -2.77 0.00 0.00 1.11 0.00 0.00 32.58 30.72 3n04 s HIS 88 CO -0.07 -0.63 1.90 0.09 -0.85 0.00 0.00 174.74 175.18 3n04 n ASN 89 N 2.45 5.13 -4.32 1.40 5.03 -1.26 -3.80 115.26 119.89 3n04 n ASN 89 Ca 0.13 -2.38 -0.34 0.00 0.87 0.00 0.00 54.58 52.86 3n04 n ASN 89 Cb 0.34 -1.07 -0.14 0.00 -1.02 0.00 0.00 39.78 37.89 3n04 n ASN 89 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3n04 s PHE 90 N -0.03 2.90 0.11 3.10 5.36 -1.26 -1.54 117.98 126.61 3n04 s PHE 90 Ca 0.01 -0.88 0.06 0.00 -0.96 0.00 0.00 56.93 55.15 3n04 s PHE 90 Cb 0.00 -1.99 -0.04 0.00 -0.34 0.00 0.00 43.02 40.66 3n04 s PHE 90 CO 0.00 -0.44 -0.15 0.96 -1.46 0.00 0.00 175.22 174.13 3n04 s ILE 91 N 1.03 1.34 -0.10 3.12 -4.36 -0.44 -0.32 121.20 121.47 3n04 s ILE 91 Ca -0.00 -1.62 0.01 0.00 -0.26 0.00 0.00 60.65 58.78 3n04 s ILE 91 Cb -0.15 -1.45 0.02 0.00 1.25 0.00 0.00 42.46 42.14 3n04 s ILE 91 CO -0.01 -0.34 -0.13 -0.63 0.24 0.00 0.00 174.94 174.07 3n04 s ILE 92 N -1.85 1.34 -0.24 8.37 1.01 -0.09 -0.58 121.20 129.16 3n04 s ILE 92 Ca 0.07 -0.54 -0.21 0.00 0.00 0.00 0.00 60.65 59.96 3n04 s ILE 92 Cb -0.07 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 3n04 s ILE 92 CO 0.03 0.41 0.67 -0.69 0.00 0.00 0.00 174.94 175.37 3n04 s VAL 93 N 1.11 4.96 -0.20 2.92 1.01 -0.42 -0.53 120.40 129.25 3n04 s VAL 93 Ca -0.05 1.24 0.01 0.00 0.00 0.00 0.00 61.98 63.19 3n04 s VAL 93 Cb -0.14 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.29 3n04 s VAL 93 CO -0.03 0.02 -0.16 -0.55 0.00 0.00 0.00 175.10 174.38 3n04 s SER 94 N 1.40 3.40 0.00 3.32 0.15 0.88 -1.58 113.70 121.27 3n04 s SER 94 Ca 0.29 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 56.11 3n04 s SER 94 Cb -0.16 -1.43 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 3n04 s SER 94 CO 0.09 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.07 3n04 n GLY 95 N 4.60 0.98 0.33 9.45 0.00 -1.26 -0.53 105.19 118.77 3n04 n GLY 95 Ca -0.18 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 45.83 3n04 n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n04 h LYS 96 N 0.00 0.92 -5.21 1.61 1.57 -1.97 -3.36 116.57 110.14 3n04 h LYS 96 Ca 0.00 -0.06 -0.65 0.00 -1.87 0.00 0.00 60.65 58.07 3n04 h LYS 96 Cb 0.00 -0.21 -0.26 0.00 0.08 0.00 0.00 32.23 31.84 3n04 h LYS 96 CO 0.00 0.61 -0.73 0.99 -0.57 0.00 0.00 179.45 179.75 3n04 s THR 97 N -6.03 3.31 -0.05 -0.16 2.01 -1.26 -5.12 115.64 108.34 3n04 s THR 97 Ca -0.12 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.37 3n04 s THR 97 Cb 0.20 -2.44 0.00 0.00 0.01 0.00 0.00 72.50 70.27 3n04 s THR 97 CO 0.80 0.49 -0.17 -0.89 -0.69 0.00 0.00 174.62 174.15 3n04 s THR 98 N 0.71 1.44 0.03 -0.82 2.01 -1.26 -4.41 115.64 113.34 3n04 s THR 98 Ca -0.04 -0.70 -0.27 0.00 0.31 0.00 0.00 61.69 60.98 3n04 s THR 98 Cb -0.15 -1.25 0.09 0.00 0.01 0.00 0.00 72.50 71.20 3n04 s THR 98 CO 0.02 0.42 0.78 0.72 -0.69 0.00 0.00 174.62 175.87 3n04 s PHE 99 N 0.19 -0.45 0.15 4.92 -0.12 -0.61 -4.55 117.98 117.51 3n04 s PHE 99 Ca -0.07 0.38 0.07 0.00 -0.05 0.00 0.00 56.93 57.26 3n04 s PHE 99 Cb -0.13 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 3n04 s PHE 99 CO 0.03 -0.63 -0.05 0.20 -0.05 0.00 0.00 175.22 174.72 3n04 s GLY 100 N -2.31 1.77 -0.05 1.99 0.00 0.79 -1.31 107.32 108.20 3n04 s GLY 100 Ca 0.01 -1.33 0.01 0.00 0.00 0.00 0.00 44.72 43.41 3n04 s GLY 100 CO -0.07 -1.34 -0.03 1.08 0.00 0.00 0.00 173.10 172.74 3n04 s LEU 101 N -2.66 1.18 -0.20 0.66 1.43 0.25 -0.48 118.68 118.86 3n04 s LEU 101 Ca 0.25 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 3n04 s LEU 101 Cb -0.10 -0.41 -0.00 0.00 0.03 0.00 0.00 46.19 45.71 3n04 s LEU 101 CO 0.17 -0.09 -0.09 0.12 0.23 0.00 0.00 176.35 176.69 3n04 s PHE 102 N 1.11 2.90 -0.54 0.29 5.36 -0.31 -1.33 117.98 125.46 3n04 s PHE 102 Ca -0.08 -1.06 -0.18 0.00 -0.96 0.00 0.00 56.93 54.65 3n04 s PHE 102 Cb -0.14 -2.04 0.09 0.00 -0.34 0.00 0.00 43.02 40.59 3n04 s PHE 102 CO -0.01 -0.57 0.62 -0.06 -1.46 0.00 0.00 175.22 173.74 3n04 s PHE 103 N 1.31 3.07 -0.90 10.12 0.08 -0.59 -0.92 117.98 130.14 3n04 s PHE 103 Ca 0.04 -0.84 -0.20 0.00 0.12 0.00 0.00 56.93 56.05 3n04 s PHE 103 Cb -0.14 -3.73 0.11 0.00 -0.57 0.00 0.00 43.02 38.70 3n04 s PHE 103 CO -0.04 -1.12 1.14 0.34 -0.10 0.00 0.00 175.22 175.44 3n04 s ASP 104 N 3.17 6.55 -0.19 1.36 2.15 0.40 -4.69 116.67 125.42 3n04 s ASP 104 Ca 0.11 -1.84 -0.09 0.00 0.43 0.00 0.00 52.55 51.17 3n04 s ASP 104 Cb -0.23 -2.42 0.07 0.00 -0.30 0.00 0.00 42.92 40.04 3n04 s ASP 104 CO 0.08 -1.16 0.43 -0.47 -0.17 0.00 0.00 175.17 173.87 3n04 s TYR 105 N 3.12 -0.69 -2.37 -5.34 5.04 -1.26 -2.56 117.35 113.29 3n04 s TYR 105 Ca 0.33 1.41 0.28 0.00 -2.44 0.00 0.00 57.07 56.65 3n04 s TYR 105 Cb -0.06 0.30 1.06 0.00 0.35 0.00 0.00 41.96 43.61 3n04 s TYR 105 CO -0.07 -0.40 1.75 -0.35 -1.34 0.00 0.00 175.55 175.14 3n04 n PRO 106 N 4.63 1.51 -0.87 4.97 -0.04 -1.26 -4.94 135.00 139.01 3n04 n PRO 106 Ca -0.18 -0.85 0.00 0.00 -0.04 0.00 0.00 63.50 62.43 3n04 n PRO 106 Cb 0.54 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 3n04 n PRO 106 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3n04 n SER 107 N -0.00 1.94 -4.62 3.54 2.88 -1.26 -1.79 113.62 114.31 3n04 n SER 107 Ca 0.18 -0.43 -0.43 0.00 -1.33 0.00 0.00 58.87 56.86 3n04 n SER 107 Cb 0.34 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.77 3n04 n SER 107 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3n04 s LYS 108 N -0.30 3.53 -0.16 -1.46 2.20 -1.26 -4.84 119.74 117.44 3n04 s LYS 108 Ca 0.00 1.82 0.01 0.00 -0.36 0.00 0.00 55.97 57.44 3n04 s LYS 108 Cb 0.00 -4.19 0.02 0.00 -1.51 0.00 0.00 37.83 32.15 3n04 s LYS 108 CO 0.00 -1.63 -0.19 -1.17 -0.36 0.00 0.00 175.35 172.00 3n04 s LEU 109 N 6.44 2.00 -0.27 5.43 2.96 -1.09 -4.51 118.68 129.63 3n04 s LEU 109 Ca 0.84 -0.59 -0.12 0.00 -0.22 0.00 0.00 54.13 54.04 3n04 s LEU 109 Cb -0.29 -1.38 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 3n04 s LEU 109 CO 0.34 0.00 0.25 -0.89 -1.32 0.00 0.00 176.35 174.73 3n04 s THR 110 N 1.22 5.27 -0.54 3.68 2.01 -0.24 -0.23 115.64 126.82 3n04 s THR 110 Ca 0.02 0.31 -0.11 0.00 0.31 0.00 0.00 61.69 62.22 3n04 s THR 110 Cb -0.14 -3.58 0.13 0.00 0.01 0.00 0.00 72.50 68.92 3n04 s THR 110 CO -0.09 0.23 0.44 -0.36 -0.69 0.00 0.00 174.62 174.15 3n04 s PHE 111 N 1.76 3.41 -0.75 4.92 0.08 0.13 -1.27 117.98 126.25 3n04 s PHE 111 Ca 0.10 -1.76 -0.21 0.00 0.12 0.00 0.00 56.93 55.18 3n04 s PHE 111 Cb -0.16 -3.60 0.10 0.00 -0.57 0.00 0.00 43.02 38.79 3n04 s PHE 111 CO 0.10 -0.99 0.98 0.34 -0.10 0.00 0.00 175.22 175.55 3n04 s ASP 112 N 2.79 6.34 -0.94 1.36 -1.08 0.18 -1.12 116.67 124.20 3n04 s ASP 112 Ca 0.07 -1.44 -0.03 0.00 -0.52 0.00 0.00 52.55 50.63 3n04 s ASP 112 Cb -0.25 -2.39 0.24 0.00 -1.46 0.00 0.00 42.92 39.05 3n04 s ASP 112 CO -0.01 -1.26 0.91 -0.38 0.52 0.00 0.00 175.17 174.96 3n04 n ILE 113 N 5.71 3.48 -1.17 4.11 5.41 -0.60 -1.11 119.36 135.18 3n04 n ILE 113 Ca 0.05 -5.25 -0.06 0.00 1.00 0.00 0.00 62.75 58.49 3n04 n ILE 113 Cb 0.46 -2.37 -0.03 0.00 -0.71 0.00 0.00 39.64 36.99 3n04 n ILE 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3n04 n GLY 114 N 2.18 0.83 0.07 7.39 0.00 -0.42 0.61 105.19 115.85 3n04 n GLY 114 Ca 0.23 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 3n04 n GLY 114 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3n04 h TYR 115 N 0.00 0.00 0.00 1.61 3.20 -1.79 -3.39 116.97 116.60 3n04 h TYR 115 Ca -0.12 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.75 3n04 h TYR 115 Cb 0.44 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.71 3n04 h TYR 115 CO 0.20 0.71 -0.00 1.15 -1.64 0.00 0.00 178.16 178.58 3n04 h THR 116 N -1.00 1.35 -0.43 1.81 2.02 -1.89 -3.48 112.91 111.29 3n04 h THR 116 Ca -0.05 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.09 3n04 h THR 116 Cb 0.72 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 3n04 h THR 116 CO -0.03 0.27 0.00 0.54 0.37 0.00 0.00 175.52 176.67 3n04 n ARG 117 N -4.88 0.73 0.00 6.66 1.74 -1.26 -5.10 116.66 114.56 3n04 n ARG 117 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 3n04 n ARG 117 Cb 0.23 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.67 3n04 n ARG 117 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3n04 n ASP 119 N 0.00 0.00 -4.33 0.55 5.75 -1.26 -4.09 116.55 113.17 3n04 n ASP 119 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.45 3n04 n ASP 119 Cb 0.00 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 39.95 3n04 n ASP 119 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3n04 s THR 120 N 0.00 3.05 -0.21 2.12 2.01 -1.26 -4.34 115.64 117.01 3n04 s THR 120 Ca 0.00 -0.64 -0.09 0.00 0.31 0.00 0.00 61.69 61.27 3n04 s THR 120 Cb 0.00 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 3n04 s THR 120 CO 0.00 0.50 0.11 -0.22 -0.69 0.00 0.00 174.62 174.32 3n04 s LEU 121 N 0.75 3.93 -0.06 4.42 2.96 -0.02 -1.30 118.68 129.36 3n04 s LEU 121 Ca -0.05 0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.93 3n04 s LEU 121 Cb -0.15 -2.03 0.03 0.00 0.50 0.00 0.00 46.19 44.54 3n04 s LEU 121 CO 0.01 0.11 -0.01 -0.75 -1.32 0.00 0.00 176.35 174.40 3n04 s LYS 122 N 0.76 0.60 -0.17 1.98 2.20 -0.27 -0.46 119.74 124.38 3n04 s LYS 122 Ca 0.06 0.07 -0.01 0.00 -0.36 0.00 0.00 55.97 55.72 3n04 s LYS 122 Cb -0.13 -0.89 -0.01 0.00 -1.51 0.00 0.00 37.83 35.29 3n04 s LYS 122 CO 0.02 -0.25 -0.11 0.08 -0.36 0.00 0.00 175.35 174.74 3n04 s VAL 123 N 1.69 3.05 0.03 4.02 1.01 0.66 -0.65 120.40 130.22 3n04 s VAL 123 Ca 0.01 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 3n04 s VAL 123 Cb -0.13 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 3n04 s VAL 123 CO -0.04 0.49 0.09 -0.94 0.00 0.00 0.00 175.10 174.70 3n04 s SER 124 N 0.86 0.16 0.20 3.32 1.04 -0.40 0.05 113.70 118.93 3n04 s SER 124 Ca -0.03 -0.47 -0.16 0.00 0.48 0.00 0.00 55.95 55.77 3n04 s SER 124 Cb -0.15 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.20 3n04 s SER 124 CO 0.00 -0.46 0.50 0.00 0.98 0.00 0.00 173.24 174.26 3n04 h GLU 126 N 2.24 0.00 -4.19 0.00 5.08 -1.86 -0.24 114.58 115.62 3n04 h GLU 126 Ca -0.28 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.60 3n04 h GLU 126 Cb 1.26 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.16 3n04 h GLU 126 CO 0.38 0.00 -0.79 -0.80 -1.00 0.00 0.00 179.01 176.80 3n04 s ASN 127 N -6.02 1.57 -1.58 1.42 -0.87 -1.26 -4.25 114.94 103.95 3n04 s ASN 127 Ca 0.07 -0.22 -0.11 0.00 -1.57 0.00 0.00 52.86 51.03 3n04 s ASN 127 Cb 0.06 -0.66 -0.05 0.00 -0.02 0.00 0.00 41.25 40.58 3n04 s ASN 127 CO 0.65 -0.06 2.76 0.00 -2.57 0.00 0.00 177.10 177.88 3n04 n ALA 128 N 4.32 7.03 -3.65 0.60 0.00 -1.26 -4.66 120.51 122.89 3n04 n ALA 128 Ca -0.19 -3.63 -0.29 0.00 0.00 0.00 0.00 53.44 49.33 3n04 n ALA 128 Cb 0.51 -3.42 -0.12 0.00 0.00 0.00 0.00 19.45 16.42 3n04 n ALA 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3n04 s ASP 129 N 2.43 3.31 0.11 0.00 1.01 -1.25 -2.70 116.67 119.58 3n04 s ASP 129 Ca 0.64 -2.86 -0.25 0.00 0.71 0.00 0.00 52.55 50.79 3n04 s ASP 129 Cb 0.17 -0.94 0.08 0.00 1.01 0.00 0.00 42.92 43.24 3n04 s ASP 129 CO -0.07 -0.22 0.74 -1.48 0.21 0.00 0.00 175.17 174.35 3n04 s LEU 130 N 0.09 -0.45 -0.11 1.23 2.34 -0.74 -4.52 118.68 116.53 3n04 s LEU 130 Ca 0.22 -0.07 -0.03 0.00 0.06 0.00 0.00 54.13 54.31 3n04 s LEU 130 Cb -0.15 2.37 -0.03 0.00 -0.56 0.00 0.00 46.19 47.81 3n04 s LEU 130 CO -0.06 -0.86 0.01 -1.81 -1.06 0.00 0.00 176.35 172.56 3n04 s ASP 131 N -2.67 5.30 -0.21 1.48 1.01 -1.06 -0.95 116.67 119.57 3n04 s ASP 131 Ca 0.04 0.12 -0.00 0.00 0.71 0.00 0.00 52.55 53.42 3n04 s ASP 131 Cb -0.01 -1.61 0.02 0.00 1.01 0.00 0.00 42.92 42.32 3n04 s ASP 131 CO -0.09 0.33 -0.14 -0.63 0.21 0.00 0.00 175.17 174.85 3n04 s ILE 132 N -0.57 2.45 -0.13 0.77 1.01 0.40 -0.46 121.20 124.67 3n04 s ILE 132 Ca 0.10 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 59.63 3n04 s ILE 132 Cb -0.12 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 3n04 s ILE 132 CO 0.02 0.40 0.47 -0.31 0.00 0.00 0.00 174.94 175.52 3n04 s TYR 133 N 1.31 3.49 -0.18 3.97 2.02 -0.10 -0.87 117.35 126.99 3n04 s TYR 133 Ca 0.03 0.85 -0.05 0.00 -0.37 0.00 0.00 57.07 57.52 3n04 s TYR 133 Cb -0.15 -2.55 -0.03 0.00 -0.40 0.00 0.00 41.96 38.84 3n04 s TYR 133 CO -0.09 0.14 0.01 0.08 -1.57 0.00 0.00 175.55 174.12 3n04 s VAL 134 N 0.75 4.17 -0.12 0.71 1.01 -0.07 -1.17 120.40 125.67 3n04 s VAL 134 Ca 0.25 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.01 3n04 s VAL 134 Cb -0.15 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.37 3n04 s VAL 134 CO 0.10 0.45 -0.22 -0.63 0.00 0.00 0.00 175.10 174.79 3n04 s ILE 135 N 0.69 2.11 0.13 2.22 1.01 0.36 -1.60 121.20 126.12 3n04 s ILE 135 Ca 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.70 3n04 s ILE 135 Cb -0.14 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 3n04 s ILE 135 CO 0.02 0.55 0.19 -1.61 0.00 0.00 0.00 174.94 174.09 3n04 s GLU 136 N 0.62 3.16 -0.03 2.79 0.41 -1.26 -0.15 118.70 124.24 3n04 s GLU 136 Ca -0.12 -0.68 -0.30 0.00 -0.41 0.00 0.00 54.97 53.46 3n04 s GLU 136 Cb -0.16 -2.83 0.12 0.00 -1.78 0.00 0.00 34.13 29.47 3n04 s GLU 136 CO 0.03 0.53 1.31 0.20 -0.49 0.00 0.00 175.26 176.84 3n04 s GLY 137 N -2.92 -0.36 0.25 -1.39 0.00 -1.26 -4.73 107.32 96.91 3n04 s GLY 137 Ca 0.32 0.58 0.25 0.00 0.00 0.00 0.00 44.72 45.88 3n04 s GLY 137 CO 0.26 1.35 1.61 0.83 0.00 0.00 0.00 173.10 177.14 3n04 h GLU 138 N 2.00 0.00 -3.18 2.90 4.39 -1.95 -3.46 114.58 115.28 3n04 h GLU 138 Ca -0.29 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.44 3n04 h GLU 138 Cb 1.20 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.79 3n04 h GLU 138 CO 0.29 0.00 0.14 0.54 -1.16 0.00 0.00 179.01 178.82 3n04 s ASN 139 N -4.95 -0.20 0.23 1.42 2.20 -1.26 -5.01 114.94 107.38 3n04 s ASN 139 Ca 0.08 -0.72 -0.08 0.00 -0.94 0.00 0.00 52.86 51.21 3n04 s ASN 139 Cb 0.10 0.70 0.23 0.00 -2.00 0.00 0.00 41.25 40.28 3n04 s ASN 139 CO 0.65 -1.31 1.90 0.00 -2.94 0.00 0.00 177.10 175.40 3n04 h ALA 140 N 2.07 1.14 -0.52 3.54 0.00 -1.93 -1.93 119.26 121.62 3n04 h ALA 140 Ca -0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3n04 h ALA 140 Cb 1.25 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3n04 h ALA 140 CO 0.27 0.51 0.19 -0.92 0.00 0.00 0.00 179.25 179.30 3n04 h TYR 141 N 1.19 0.81 -0.76 0.00 3.20 -1.94 -0.48 116.97 119.00 3n04 h TYR 141 Ca 0.33 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.13 3n04 h TYR 141 Cb -0.11 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 37.89 3n04 h TYR 141 CO -0.01 0.68 0.48 -0.44 -1.64 0.00 0.00 178.16 177.23 3n04 h ASP 142 N 0.71 0.89 -0.69 -2.11 3.32 -1.87 -1.79 116.42 114.87 3n04 h ASP 142 Ca 0.17 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 3n04 h ASP 142 Cb 0.23 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3n04 h ASP 142 CO -0.01 0.67 0.35 0.40 -1.72 0.00 0.00 179.24 178.93 3n04 h ILE 143 N 1.03 1.23 -0.64 0.35 2.04 -0.91 -2.53 117.51 118.08 3n04 h ILE 143 Ca 0.27 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 3n04 h ILE 143 Cb -0.08 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.33 3n04 h ILE 143 CO -0.06 0.26 0.34 0.58 0.00 0.00 0.00 178.15 179.27 3n04 h VAL 144 N 0.96 1.21 -0.71 1.67 2.07 -0.67 -1.76 116.25 119.02 3n04 h VAL 144 Ca 0.24 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 3n04 h VAL 144 Cb 0.09 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 3n04 h VAL 144 CO -0.03 0.23 0.26 0.11 0.02 0.00 0.00 177.57 178.16 3n04 h LYS 145 N 0.87 1.06 -0.68 1.57 1.57 -1.21 0.82 116.57 120.57 3n04 h LYS 145 Ca 0.22 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3n04 h LYS 145 Cb 0.07 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3n04 h LYS 145 CO -0.03 0.88 0.31 1.96 -0.57 0.00 0.00 179.45 181.99 3n04 h GLN 146 N 1.03 0.99 -0.45 3.15 4.20 -1.24 -2.11 115.11 120.69 3n04 h GLN 146 Ca 0.24 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 3n04 h GLN 146 Cb 0.23 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3n04 h GLN 146 CO -0.02 0.80 0.22 0.35 -0.67 0.00 0.00 178.83 179.52 3n04 h PHE 147 N 0.95 0.65 -0.42 2.96 3.57 -0.75 -2.83 116.94 121.07 3n04 h PHE 147 Ca 0.23 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.72 3n04 h PHE 147 Cb 0.15 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 3n04 h PHE 147 CO 0.01 0.52 0.28 0.00 -2.23 0.00 0.00 178.31 176.88 3n04 h ARG 148 N 0.59 0.51 -0.10 1.11 2.47 -0.68 -2.43 114.38 115.85 3n04 h ARG 148 Ca 0.16 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.83 3n04 h ARG 148 Cb 0.11 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.31 3n04 h ARG 148 CO -0.02 0.34 0.02 -0.09 0.56 0.00 0.00 179.97 180.77 3n04 h ARG 149 N 0.52 0.16 0.00 0.04 2.43 -1.15 -3.19 114.38 113.19 3n04 h ARG 149 Ca 0.16 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3n04 h ARG 149 Cb 0.00 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3n04 h ARG 149 CO -0.04 0.37 -0.30 -0.39 -1.51 0.00 0.00 179.97 178.10 3n04 h VAL 150 N -0.07 0.67 -0.00 0.20 -1.51 -1.25 -2.92 116.25 111.37 3n04 h VAL 150 Ca 0.03 -1.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.11 3n04 h VAL 150 Cb 0.28 1.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 3n04 h VAL 150 CO 0.00 0.30 -0.22 2.30 -1.23 0.00 0.00 177.57 178.72 3n04 n ILE 151 N -3.39 0.00 0.00 7.19 -5.35 -0.95 -0.09 119.36 116.76 3n04 n ILE 151 Ca 0.00 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3n04 n ILE 151 Cb 0.50 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 3n04 n ILE 151 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3n04 n GLY 152 N 1.48 -0.68 3.66 3.28 0.00 -1.10 -4.20 105.19 107.63 3n04 n GLY 152 Ca 0.07 -1.64 -0.46 0.00 0.00 0.00 0.00 46.02 44.00 3n04 n GLY 152 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3n04 n ARG 153 N -0.45 2.02 -2.01 1.61 0.63 -1.26 -4.87 116.66 112.32 3n04 n ARG 153 Ca 0.00 0.72 -0.37 0.00 -0.92 0.00 0.00 57.85 57.29 3n04 n ARG 153 Cb 0.00 -2.42 0.03 0.00 0.45 0.00 0.00 32.46 30.52 3n04 n ARG 153 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3n04 s SER 154 N 0.54 5.34 0.20 6.15 0.01 -1.26 -4.41 113.70 120.27 3n04 s SER 154 Ca 0.73 2.44 -0.31 0.00 1.31 0.00 0.00 55.95 60.12 3n04 s SER 154 Cb -0.68 -2.61 -0.16 0.00 0.21 0.00 0.00 66.02 62.79 3n04 s SER 154 CO 0.45 -1.50 1.05 0.00 0.41 0.00 0.00 173.24 173.65 3n04 n TYR 155 N -1.34 1.07 -4.09 2.43 9.36 0.11 -4.91 117.16 119.80 3n04 n TYR 155 Ca 0.12 0.73 -0.33 0.00 3.32 0.00 0.00 57.90 61.74 3n04 n TYR 155 Cb 0.49 -2.23 -0.16 0.00 -0.63 0.00 0.00 39.34 36.81 3n04 n TYR 155 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3n04 s ILE 156 N -0.49 2.29 0.65 2.97 1.01 -1.26 -4.80 121.20 121.57 3n04 s ILE 156 Ca 0.69 -0.86 -0.10 0.00 0.00 0.00 0.00 60.65 60.38 3n04 s ILE 156 Cb -0.84 -1.98 -0.00 0.00 0.01 0.00 0.00 42.46 39.65 3n04 s ILE 156 CO 0.55 0.52 1.02 -2.16 0.00 0.00 0.00 174.94 174.87 3n04 s PRO 157 N 1.32 3.10 0.65 2.79 0.04 -1.26 -4.80 135.00 136.85 3n04 s PRO 157 Ca 0.05 0.42 -0.15 0.00 0.04 0.00 0.00 61.00 61.36 3n04 s PRO 157 Cb -0.13 -2.11 -0.00 0.00 0.04 0.00 0.00 34.50 32.30 3n04 s PRO 157 CO -0.11 -0.80 1.11 -1.25 0.04 0.00 0.00 177.00 175.99 3n04 s PRO 158 N -5.20 2.84 0.43 0.56 0.04 -1.26 -4.93 135.00 127.47 3n04 s PRO 158 Ca 0.56 1.38 0.12 0.00 0.04 0.00 0.00 61.00 63.10 3n04 s PRO 158 Cb -0.11 -1.96 0.99 0.00 0.04 0.00 0.00 34.50 33.46 3n04 s PRO 158 CO 0.51 -1.22 2.00 -0.22 0.04 0.00 0.00 177.00 178.10 3n04 h LYS 159 N 0.06 0.43 -0.06 4.56 3.64 -1.51 -2.00 116.57 121.69 3n04 h LYS 159 Ca -0.47 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 58.90 3n04 h LYS 159 Cb 1.24 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3n04 h LYS 159 CO 0.54 0.29 0.06 0.27 -2.27 0.00 0.00 179.45 178.34 3n04 h PHE 160 N 0.44 0.00 0.00 1.91 -5.15 -1.92 -0.67 116.94 111.55 3n04 h PHE 160 Ca 0.25 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.02 3n04 h PHE 160 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.57 3n04 h PHE 160 CO -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 3n04 n ALA 161 N -2.35 2.08 1.24 12.09 0.00 -0.75 -1.65 120.51 131.17 3n04 n ALA 161 Ca -0.02 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.43 3n04 n ALA 161 Cb 0.16 -1.35 0.36 0.00 0.00 0.00 0.00 19.45 18.62 3n04 n ALA 161 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3n04 n PHE 162 N -1.35 0.22 -0.43 0.00 3.72 -0.26 -4.69 117.46 114.68 3n04 n PHE 162 Ca 0.09 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3n04 n PHE 162 Cb 0.20 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 3n04 n PHE 162 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3n04 n GLY 163 N 1.10 -0.15 3.56 1.37 0.00 -0.66 -4.92 105.19 105.50 3n04 n GLY 163 Ca 0.16 -1.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 3n04 n GLY 163 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3n04 s PHE 164 N 0.44 2.78 0.04 1.61 5.36 -1.26 -4.92 117.98 122.02 3n04 s PHE 164 Ca 0.00 -0.12 0.05 0.00 -0.96 0.00 0.00 56.93 55.90 3n04 s PHE 164 Cb 0.00 -1.54 -0.02 0.00 -0.34 0.00 0.00 43.02 41.12 3n04 s PHE 164 CO 0.00 0.36 -0.13 0.20 -1.46 0.00 0.00 175.22 174.18 3n04 s GLY 165 N -1.61 0.76 0.03 13.12 0.00 -1.26 -1.01 107.32 117.35 3n04 s GLY 165 Ca 0.18 -0.83 0.09 0.00 0.00 0.00 0.00 44.72 44.16 3n04 s GLY 165 CO 0.09 -0.81 -0.26 1.62 0.00 0.00 0.00 173.10 173.73 3n04 s GLN 166 N -1.22 1.84 0.23 2.90 2.00 -1.26 -1.05 119.66 123.10 3n04 s GLN 166 Ca 0.00 -1.04 -0.03 0.00 -2.00 0.00 0.00 55.36 52.29 3n04 s GLN 166 Cb -0.08 -1.94 0.01 0.00 0.80 0.00 0.00 33.01 31.80 3n04 s GLN 166 CO 0.01 0.51 0.36 0.45 -0.50 0.00 0.00 175.29 176.13 3n04 n SER 167 N 1.97 -1.03 -3.65 6.67 2.88 -0.14 -0.82 113.62 119.51 3n04 n SER 167 Ca -0.17 -2.18 -0.01 0.00 -1.33 0.00 0.00 58.87 55.18 3n04 n SER 167 Cb 0.52 1.85 -0.06 0.00 -0.75 0.00 0.00 64.21 65.77 3n04 n SER 167 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3n04 s ARG 168 N -2.41 0.27 -0.50 -1.46 3.52 -1.26 -2.94 118.95 114.17 3n04 s ARG 168 Ca 0.17 0.44 -0.27 0.00 -0.13 0.00 0.00 55.73 55.94 3n04 s ARG 168 Cb -0.01 0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.42 3n04 s ARG 168 CO 0.12 -0.05 1.91 -0.46 -0.81 0.00 0.00 175.30 176.01 3n04 s TRP 169 N 1.09 1.63 0.00 5.12 -0.00 -0.19 -2.43 118.94 124.17 3n04 s TRP 169 Ca -0.07 0.83 0.00 0.00 -0.00 0.00 0.00 56.10 56.86 3n04 s TRP 169 Cb -0.03 -4.04 0.00 0.00 -0.00 0.00 0.00 33.47 29.40 3n04 s TRP 169 CO -0.13 -2.55 0.00 0.41 -0.00 0.00 0.00 176.95 174.68 3n04 n GLY 170 N 5.65 1.27 3.68 5.86 0.00 -1.26 -4.89 105.19 115.50 3n04 n GLY 170 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 3n04 n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3n04 s TYR 171 N 0.00 2.26 0.00 1.61 2.02 -1.02 -4.81 117.35 117.42 3n04 s TYR 171 Ca 0.00 0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.96 3n04 s TYR 171 Cb 0.00 -3.96 0.00 0.00 -0.40 0.00 0.00 41.96 37.60 3n04 s TYR 171 CO 0.00 -3.92 0.00 2.41 -1.57 0.00 0.00 175.55 172.47 3n04 n THR 172 N 4.95 0.00 -3.99 -0.71 -1.04 -1.26 -4.50 114.28 107.73 3n04 n THR 172 Ca 0.16 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.96 3n04 n THR 172 Cb 0.41 -0.33 -0.05 0.00 -1.82 0.00 0.00 70.33 68.55 3n04 n THR 172 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3n04 s THR 173 N -1.53 3.73 0.32 12.58 -4.23 -1.26 -4.79 115.64 120.46 3n04 s THR 173 Ca 0.00 -1.47 0.09 0.00 -1.18 0.00 0.00 61.69 59.13 3n04 s THR 173 Cb 0.00 -3.19 0.32 0.00 1.34 0.00 0.00 72.50 70.96 3n04 s THR 173 CO 0.00 -0.25 1.76 0.11 -0.54 0.00 0.00 174.62 175.70 3n04 h LYS 174 N 1.42 0.62 -0.47 3.99 1.57 -2.00 -2.26 116.57 119.44 3n04 h LYS 174 Ca -0.46 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.20 3n04 h LYS 174 Cb 1.25 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 3n04 h LYS 174 CO 0.60 0.41 -0.06 0.93 -0.57 0.00 0.00 179.45 180.76 3n04 h GLU 175 N 0.64 0.82 -0.39 3.15 4.39 -1.96 -0.72 114.58 120.51 3n04 h GLU 175 Ca 0.61 -0.25 0.08 0.00 0.34 0.00 0.00 59.36 60.13 3n04 h GLU 175 Cb 1.10 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.60 3n04 h GLU 175 CO -0.41 0.86 -0.11 -0.44 -1.16 0.00 0.00 179.01 177.75 3n04 h ASP 176 N 0.75 -0.41 0.08 1.42 3.32 -1.80 -0.81 116.42 118.96 3n04 h ASP 176 Ca 0.13 0.12 -0.16 0.00 0.02 0.00 0.00 57.03 57.14 3n04 h ASP 176 Cb 0.54 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 3n04 h ASP 176 CO 0.03 -0.15 -0.58 -0.26 -1.72 0.00 0.00 179.24 176.56 3n04 h PHE 177 N -0.02 0.64 -0.58 4.55 0.04 -1.38 -2.76 116.94 117.43 3n04 h PHE 177 Ca 0.19 -0.24 -0.08 0.00 2.80 0.00 0.00 57.97 60.64 3n04 h PHE 177 Cb 0.31 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 3n04 h PHE 177 CO -0.36 0.96 0.05 0.00 -0.60 0.00 0.00 178.31 178.36 3n04 h ARG 178 N 0.38 0.97 -0.52 1.51 3.08 -0.91 -1.62 114.38 117.27 3n04 h ARG 178 Ca 0.00 -0.27 -0.09 0.00 0.07 0.00 0.00 59.98 59.69 3n04 h ARG 178 Cb 1.12 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 3n04 h ARG 178 CO 0.11 0.93 -0.03 0.00 -1.07 0.00 0.00 179.97 179.90 3n04 h ALA 179 N 1.14 0.96 -0.47 0.04 0.00 -1.07 -0.01 119.26 119.85 3n04 h ALA 179 Ca 0.18 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3n04 h ALA 179 Cb 0.46 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3n04 h ALA 179 CO 0.02 0.62 0.14 0.28 0.00 0.00 0.00 179.25 180.31 3n04 h VAL 180 N 0.83 1.23 -0.42 0.00 2.07 -1.27 0.67 116.25 119.36 3n04 h VAL 180 Ca 0.15 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 3n04 h VAL 180 Cb 0.54 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3n04 h VAL 180 CO 0.03 0.27 0.13 0.00 0.02 0.00 0.00 177.57 178.03 3n04 h ALA 181 N 1.00 0.54 -0.35 1.67 0.00 -0.96 -2.32 119.26 118.85 3n04 h ALA 181 Ca 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3n04 h ALA 181 Cb 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3n04 h ALA 181 CO -0.00 0.19 0.19 -0.22 0.00 0.00 0.00 179.25 179.41 3n04 h LYS 182 N 0.53 0.48 -0.25 0.00 3.64 -0.93 -1.80 116.57 118.24 3n04 h LYS 182 Ca 0.13 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 3n04 h LYS 182 Cb 0.25 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 3n04 h LYS 182 CO -0.00 0.39 0.03 0.78 -2.27 0.00 0.00 179.45 178.38 3n04 h GLY 183 N 0.44 0.27 0.60 5.01 0.00 -0.63 -0.91 103.07 107.84 3n04 h GLY 183 Ca 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 3n04 h GLY 183 CO -0.02 -0.02 -0.18 -0.97 0.00 0.00 0.00 176.54 175.35 3n04 h TYR 184 N 0.12 -0.47 -0.48 5.60 -1.99 -1.47 -3.18 116.97 115.11 3n04 h TYR 184 Ca 0.12 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.81 3n04 h TYR 184 Cb 0.13 0.16 -0.02 0.00 2.00 0.00 0.00 36.73 38.99 3n04 h TYR 184 CO -0.17 -0.14 0.20 0.00 -0.00 0.00 0.00 178.16 178.05 3n04 h ARG 185 N -0.92 0.72 0.00 4.88 2.47 -1.29 0.19 114.38 120.43 3n04 h ARG 185 Ca -0.05 -0.13 -0.07 0.00 -1.26 0.00 0.00 59.98 58.47 3n04 h ARG 185 Cb 0.54 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 3n04 h ARG 185 CO 0.09 0.64 -0.35 0.93 0.56 0.00 0.00 179.97 181.83 3n04 h GLU 186 N 0.64 0.00 -0.36 0.04 5.08 -1.33 -1.91 114.58 116.74 3n04 h GLU 186 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3n04 h GLU 186 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3n04 h GLU 186 CO -0.01 0.35 0.00 0.09 -1.00 0.00 0.00 179.01 178.44 3n04 n ASN 187 N -3.63 2.28 -3.24 1.42 3.02 -0.99 -4.96 115.26 109.16 3n04 n ASN 187 Ca -0.01 -1.92 -0.23 0.00 -0.03 0.00 0.00 54.58 52.40 3n04 n ASN 187 Cb 0.47 -0.24 0.01 0.00 -0.61 0.00 0.00 39.78 39.41 3n04 n ASN 187 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3n04 n HIS 188 N 0.73 -1.88 -3.29 3.10 8.25 -0.41 -4.98 115.22 116.74 3n04 n HIS 188 Ca 0.16 0.50 -0.39 0.00 -0.26 0.00 0.00 57.72 57.73 3n04 n HIS 188 Cb 0.38 -3.60 -0.07 0.00 1.12 0.00 0.00 29.99 27.83 3n04 n HIS 188 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3n04 s ILE 189 N -3.04 5.14 0.51 1.59 1.01 -0.08 -4.96 121.20 121.37 3n04 s ILE 189 Ca 0.37 0.89 -0.23 0.00 0.00 0.00 0.00 60.65 61.68 3n04 s ILE 189 Cb -0.18 -3.81 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 3n04 s ILE 189 CO 0.45 0.21 1.33 -2.84 0.00 0.00 0.00 174.94 174.09 3n04 s PRO 190 N 1.46 3.36 -0.25 2.79 0.02 -1.26 -4.37 135.00 136.74 3n04 s PRO 190 Ca 0.23 2.16 -0.26 0.00 0.02 0.00 0.00 61.00 63.15 3n04 s PRO 190 Cb -0.15 -2.36 0.13 0.00 0.02 0.00 0.00 34.50 32.13 3n04 s PRO 190 CO 0.09 -0.99 1.03 -1.50 -0.33 0.00 0.00 177.00 175.31 3n04 s ILE 191 N -1.33 0.00 0.00 2.83 2.07 -0.84 -4.80 121.20 119.12 3n04 s ILE 191 Ca 0.68 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.92 3n04 s ILE 191 Cb -0.38 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.21 3n04 s ILE 191 CO 0.46 0.00 0.91 0.47 -1.91 0.00 0.00 174.94 174.88 3n04 n ASP 192 N 1.81 1.73 -3.65 4.50 8.00 -0.18 -4.58 116.55 124.17 3n04 n ASP 192 Ca -0.12 -1.84 -0.05 0.00 0.71 0.00 0.00 54.79 53.50 3n04 n ASP 192 Cb 0.56 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.60 3n04 n ASP 192 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3n04 s ILE 194 N -0.84 -0.68 0.00 0.53 1.01 -0.52 -0.88 121.20 119.83 3n04 s ILE 194 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.70 3n04 s ILE 194 Cb 0.00 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.59 3n04 s ILE 194 CO 0.00 0.02 0.00 -1.22 0.00 0.00 0.00 174.94 173.74 3n04 n TYR 195 N 5.18 0.00 -3.83 3.97 4.02 0.00 -1.61 117.16 124.89 3n04 n TYR 195 Ca -0.13 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.66 3n04 n TYR 195 Cb 0.51 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.85 3n04 n TYR 195 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3n04 n ASP 197 N 0.00 -2.09 0.33 7.72 4.64 -1.26 -4.49 116.55 121.39 3n04 n ASP 197 Ca 0.00 -2.63 0.14 0.00 -1.38 0.00 0.00 54.79 50.92 3n04 n ASP 197 Cb 0.00 3.54 0.73 0.00 -1.04 0.00 0.00 41.12 44.35 3n04 n ASP 197 CO 0.00 0.00 0.00 0.16 -0.82 0.00 0.00 177.20 176.54 3n04 h ILE 198 N 1.98 0.00 0.00 5.18 3.07 -1.92 -2.34 117.51 123.48 3n04 h ILE 198 Ca -0.32 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.09 3n04 h ILE 198 Cb 1.21 0.59 0.00 0.00 -0.27 0.00 0.00 36.82 38.35 3n04 h ILE 198 CO 0.41 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 177.98 3n04 n ASP 199 N -2.82 0.07 -1.84 2.16 8.00 -1.26 -4.59 116.55 116.27 3n04 n ASP 199 Ca -0.02 0.52 -0.03 0.00 0.71 0.00 0.00 54.79 55.97 3n04 n ASP 199 Cb 0.44 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 40.96 3n04 n ASP 199 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3n04 n TYR 200 N -1.58 0.00 -3.73 1.24 0.18 -0.88 -4.83 117.16 107.56 3n04 n TYR 200 Ca 0.04 -0.82 -0.38 0.00 1.88 0.00 0.00 57.90 58.62 3n04 n TYR 200 Cb 0.19 -0.72 -0.12 0.00 -0.38 0.00 0.00 39.34 38.32 3n04 n TYR 200 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 3n04 s GLN 202 N 0.98 2.80 -1.63 -3.48 2.00 -1.26 -0.23 119.66 118.85 3n04 s GLN 202 Ca 0.17 -1.06 -0.17 0.00 -2.00 0.00 0.00 55.36 52.30 3n04 s GLN 202 Cb 0.08 -3.48 0.13 0.00 0.80 0.00 0.00 33.01 30.54 3n04 s GLN 202 CO 0.00 -0.60 0.86 -0.25 -0.50 0.00 0.00 175.29 174.79 3n04 n ASP 203 N 4.86 -3.92 -1.87 6.67 8.00 -1.26 -0.71 116.55 128.33 3n04 n ASP 203 Ca -0.13 -0.90 -0.19 0.00 0.71 0.00 0.00 54.79 54.27 3n04 n ASP 203 Cb 0.46 -3.17 -0.04 0.00 -0.02 0.00 0.00 41.12 38.35 3n04 n ASP 203 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3n04 n PHE 204 N -4.48 -0.50 -3.04 1.24 3.72 -1.26 -4.74 117.46 108.40 3n04 n PHE 204 Ca 0.07 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.05 3n04 n PHE 204 Cb 0.50 -3.52 -0.06 0.00 -0.94 0.00 0.00 39.48 35.47 3n04 n PHE 204 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3n04 s LYS 205 N -4.36 3.93 0.28 -1.08 1.02 0.12 -4.68 119.74 114.96 3n04 s LYS 205 Ca 0.00 0.44 -0.28 0.00 0.02 0.00 0.00 55.97 56.15 3n04 s LYS 205 Cb 0.00 -3.73 -0.14 0.00 -0.52 0.00 0.00 37.83 33.44 3n04 s LYS 205 CO 0.00 -0.62 0.94 -0.25 -0.92 0.00 0.00 175.35 174.50 3n04 n ASP 206 N 6.02 0.93 -1.97 2.83 8.00 -1.26 -2.41 116.55 128.69 3n04 n ASP 206 Ca 0.01 1.17 -0.16 0.00 0.71 0.00 0.00 54.79 56.52 3n04 n ASP 206 Cb 0.48 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.35 3n04 n ASP 206 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3n04 n PHE 207 N 0.18 -0.94 -4.40 1.24 3.72 -1.26 -4.97 117.46 111.04 3n04 n PHE 207 Ca 0.11 0.09 -0.20 0.00 -0.05 0.00 0.00 57.45 57.40 3n04 n PHE 207 Cb 0.31 -3.40 -0.10 0.00 -0.94 0.00 0.00 39.48 35.35 3n04 n PHE 207 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3n04 s THR 208 N -2.86 1.84 0.08 4.37 -4.23 -1.01 -5.00 115.64 108.82 3n04 s THR 208 Ca 0.05 -2.21 0.10 0.00 -1.18 0.00 0.00 61.69 58.45 3n04 s THR 208 Cb -0.02 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 71.55 3n04 s THR 208 CO 0.07 -0.46 -0.25 0.68 -0.54 0.00 0.00 174.62 174.12 3n04 s VAL 209 N -2.90 2.08 -0.22 2.29 -7.23 -1.26 -4.30 120.40 108.86 3n04 s VAL 209 Ca 0.26 -1.51 -0.31 0.00 -1.81 0.00 0.00 61.98 58.61 3n04 s VAL 209 Cb 0.00 -1.82 -0.08 0.00 0.56 0.00 0.00 36.38 35.04 3n04 s VAL 209 CO 0.10 0.21 2.15 -3.20 -0.31 0.00 0.00 175.10 174.05 3n04 n ASN 210 N 1.42 3.02 -0.25 4.85 2.85 0.68 -4.08 115.26 123.75 3n04 n ASN 210 Ca -0.18 0.41 -0.07 0.00 -0.11 0.00 0.00 54.58 54.63 3n04 n ASN 210 Cb 0.53 -1.44 0.05 0.00 1.24 0.00 0.00 39.78 40.15 3n04 n ASN 210 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 3n04 h GLU 211 N 13.20 1.12 -0.31 1.20 5.08 -1.91 0.14 114.58 133.11 3n04 h GLU 211 Ca -0.39 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 57.63 3n04 h GLU 211 Cb 1.27 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3n04 h GLU 211 CO 0.97 1.01 -0.06 -0.22 -1.00 0.00 0.00 179.01 179.71 3n04 h LYS 212 N 1.06 0.59 -0.02 2.33 3.64 -2.00 -3.14 116.57 119.04 3n04 h LYS 212 Ca 0.21 -0.22 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 3n04 h LYS 212 Cb 0.41 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3n04 h LYS 212 CO 0.01 0.77 -0.81 -0.91 -2.27 0.00 0.00 179.45 176.24 3n04 h ASN 213 N 0.36 0.25 -2.49 4.20 2.35 -1.89 -3.39 115.58 114.98 3n04 h ASN 213 Ca 0.08 -0.19 -0.60 0.00 -0.55 0.00 0.00 56.30 55.04 3n04 h ASN 213 Cb 0.54 -0.08 -0.40 0.00 0.05 0.00 0.00 38.32 38.43 3n04 h ASN 213 CO 0.03 0.95 -0.79 0.49 -1.65 0.00 0.00 177.43 176.46 3n04 n PHE 214 N -3.71 1.50 0.06 1.19 3.72 0.02 -4.41 117.46 115.82 3n04 n PHE 214 Ca -0.03 -3.86 -0.07 0.00 -0.05 0.00 0.00 57.45 53.44 3n04 n PHE 214 Cb 0.76 -0.31 0.10 0.00 -0.94 0.00 0.00 39.48 39.09 3n04 n PHE 214 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3n04 h PRO 215 N 4.94 0.35 -2.25 -1.08 0.13 -1.76 -3.29 132.00 129.05 3n04 h PRO 215 Ca 0.18 -0.23 -0.60 0.00 -0.87 0.00 0.00 66.00 64.48 3n04 h PRO 215 Cb 0.80 0.03 -0.42 0.00 0.13 0.00 0.00 31.00 31.54 3n04 h PRO 215 CO 0.60 0.83 -0.60 -3.47 -0.23 0.00 0.00 178.00 175.13 3n04 n ASP 216 N -3.91 3.64 -0.17 1.44 -0.08 -1.26 -4.97 116.55 111.24 3n04 n ASP 216 Ca -0.03 -3.41 -0.02 0.00 -1.51 0.00 0.00 54.79 49.82 3n04 n ASP 216 Cb 0.61 -0.68 0.08 0.00 2.34 0.00 0.00 41.12 43.47 3n04 n ASP 216 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 3n04 h PHE 217 N 4.25 0.30 -0.69 -0.67 3.57 -1.98 -1.95 116.94 119.77 3n04 h PHE 217 Ca 0.19 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.75 3n04 h PHE 217 Cb 0.67 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 3n04 h PHE 217 CO 0.71 0.07 0.46 -1.35 -2.23 0.00 0.00 178.31 175.97 3n04 h PRO 218 N 0.34 0.82 -0.54 6.41 0.11 -1.93 -0.01 132.00 137.20 3n04 h PRO 218 Ca 0.26 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.27 3n04 h PRO 218 Cb 0.31 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 3n04 h PRO 218 CO -0.28 0.55 0.13 0.93 -0.21 0.00 0.00 178.00 179.11 3n04 h GLU 219 N 0.85 0.87 -0.39 1.05 5.08 -1.71 -1.78 114.58 118.54 3n04 h GLU 219 Ca 0.27 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3n04 h GLU 219 Cb 0.03 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3n04 h GLU 219 CO -0.07 0.82 0.09 0.35 -1.00 0.00 0.00 179.01 179.19 3n04 h PHE 220 N 0.76 0.67 -0.58 4.33 3.57 -0.88 0.18 116.94 124.99 3n04 h PHE 220 Ca 0.17 -0.08 0.11 0.00 3.53 0.00 0.00 57.97 61.70 3n04 h PHE 220 Cb 0.34 -0.19 -0.09 0.00 2.79 0.00 0.00 35.95 38.81 3n04 h PHE 220 CO 0.02 0.65 0.11 0.28 -2.23 0.00 0.00 178.31 177.14 3n04 h VAL 221 N 0.49 0.64 -0.56 1.41 2.07 -0.94 -1.63 116.25 117.73 3n04 h VAL 221 Ca 0.12 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 3n04 h VAL 221 Cb 0.32 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3n04 h VAL 221 CO 0.00 0.04 0.33 0.50 0.02 0.00 0.00 177.57 178.46 3n04 h LYS 222 N 0.24 0.77 0.00 1.57 3.64 -1.09 0.15 116.57 121.84 3n04 h LYS 222 Ca 0.30 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3n04 h LYS 222 Cb 0.45 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3n04 h LYS 222 CO -0.40 0.57 0.00 -1.91 -2.27 0.00 0.00 179.45 175.44 3n04 n GLU 223 N -4.63 0.00 0.00 1.90 2.13 0.03 -0.04 120.64 120.03 3n04 n GLU 223 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 3n04 n GLU 223 Cb 0.07 -0.90 0.00 0.00 0.27 0.00 0.00 31.44 30.88 3n04 n GLU 223 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3n04 n LYS 225 N 0.09 0.00 0.31 5.31 4.81 0.51 -3.79 118.16 125.39 3n04 n LYS 225 Ca 0.00 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.62 3n04 n LYS 225 Cb 0.00 0.00 0.97 0.00 0.02 0.00 0.00 35.03 36.02 3n04 n LYS 225 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3n04 h ASP 226 N 0.00 0.00 -0.39 3.14 3.32 -0.71 0.37 116.42 122.15 3n04 h ASP 226 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3n04 h ASP 226 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3n04 h ASP 226 CO 0.00 0.00 0.02 0.00 -1.72 0.00 0.00 179.24 177.54 3n04 n GLN 227 N -2.87 3.35 -3.74 3.56 6.02 -1.25 -4.95 117.38 117.50 3n04 n GLN 227 Ca -0.02 -2.97 -0.26 0.00 -0.01 0.00 0.00 57.00 53.74 3n04 n GLN 227 Cb 0.19 -1.98 0.05 0.00 1.02 0.00 0.00 30.24 29.52 3n04 n GLN 227 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3n04 n GLU 228 N -0.28 -6.19 -4.02 -1.09 -0.58 0.12 -5.00 120.64 103.59 3n04 n GLU 228 Ca 0.26 0.69 -0.31 0.00 -0.42 0.00 0.00 57.16 57.38 3n04 n GLU 228 Cb 1.03 -5.57 -0.16 0.00 -0.57 0.00 0.00 31.44 26.16 3n04 n GLU 228 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3n04 s LEU 229 N -7.09 2.10 -0.23 -4.62 1.43 -1.26 -4.41 118.68 104.60 3n04 s LEU 229 Ca 0.46 -0.75 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 3n04 s LEU 229 Cb -0.22 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 3n04 s LEU 229 CO 0.79 -0.10 0.11 -0.13 0.23 0.00 0.00 176.35 177.25 3n04 s ARG 230 N 1.41 3.93 0.02 1.70 0.52 -0.06 -2.51 118.95 123.97 3n04 s ARG 230 Ca 0.01 -0.34 -0.29 0.00 -0.52 0.00 0.00 55.73 54.59 3n04 s ARG 230 Cb -0.15 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 3n04 s ARG 230 CO -0.09 0.04 0.92 -0.51 0.02 0.00 0.00 175.30 175.67 3n04 s LEU 231 N 1.07 4.40 -0.36 2.53 1.43 -1.26 -1.43 118.68 125.05 3n04 s LEU 231 Ca 0.06 1.61 0.03 0.00 -1.03 0.00 0.00 54.13 54.80 3n04 s LEU 231 Cb -0.14 -3.48 0.11 0.00 0.03 0.00 0.00 46.19 42.71 3n04 s LEU 231 CO 0.04 -0.17 0.10 -0.63 0.23 0.00 0.00 176.35 175.92 3n04 s ILE 232 N 0.63 1.98 0.27 -0.59 -1.09 -0.63 -4.54 121.20 117.22 3n04 s ILE 232 Ca 0.47 -2.30 -0.13 0.00 -2.23 0.00 0.00 60.65 56.46 3n04 s ILE 232 Cb -0.21 -2.45 -0.08 0.00 -1.58 0.00 0.00 42.46 38.14 3n04 s ILE 232 CO 0.27 -0.66 0.65 -2.16 -1.23 0.00 0.00 174.94 171.80 3n04 s PRO 233 N 0.85 3.94 0.34 2.79 0.04 -1.25 -4.42 135.00 137.30 3n04 s PRO 233 Ca 0.12 0.52 -0.23 0.00 0.04 0.00 0.00 61.00 61.44 3n04 s PRO 233 Cb -0.20 -2.58 -0.10 0.00 0.04 0.00 0.00 34.50 31.66 3n04 s PRO 233 CO -0.10 0.26 0.91 -1.50 0.04 0.00 0.00 177.00 176.61 3n04 s ILE 234 N -1.85 4.33 -0.05 0.56 2.07 -1.26 -2.31 121.20 122.69 3n04 s ILE 234 Ca 0.50 1.62 0.03 0.00 -1.41 0.00 0.00 60.65 61.38 3n04 s ILE 234 Cb -0.11 -3.85 0.01 0.00 0.13 0.00 0.00 42.46 38.64 3n04 s ILE 234 CO 0.19 -0.01 -0.12 -0.63 -1.91 0.00 0.00 174.94 172.46 3n04 s ILE 235 N -1.79 1.12 0.14 2.00 -1.09 0.29 -4.91 121.20 116.96 3n04 s ILE 235 Ca 0.53 -0.49 0.03 0.00 -2.23 0.00 0.00 60.65 58.49 3n04 s ILE 235 Cb -0.15 -1.01 -0.04 0.00 -1.58 0.00 0.00 42.46 39.69 3n04 s ILE 235 CO 0.20 0.34 0.20 -1.81 -1.23 0.00 0.00 174.94 172.64 3n04 s ASP 236 N 0.48 5.91 0.24 3.58 1.01 -1.26 -1.27 116.67 125.36 3n04 s ASP 236 Ca -0.11 0.03 -0.06 0.00 0.71 0.00 0.00 52.55 53.12 3n04 s ASP 236 Cb -0.14 -1.67 0.25 0.00 1.01 0.00 0.00 42.92 42.37 3n04 s ASP 236 CO 0.03 0.08 1.91 0.00 0.21 0.00 0.00 175.17 177.40 3n04 h ALA 237 N 2.42 1.24 -2.34 5.23 0.00 -1.93 -3.43 119.26 120.45 3n04 h ALA 237 Ca -0.48 -0.08 -0.56 0.00 0.00 0.00 0.00 54.91 53.79 3n04 h ALA 237 Cb 1.19 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3n04 h ALA 237 CO 0.66 0.66 0.47 0.20 0.00 0.00 0.00 179.25 181.24 3n04 s GLY 238 N -3.13 2.43 -0.32 0.00 0.00 -1.26 -4.28 107.32 100.76 3n04 s GLY 238 Ca -0.13 0.33 -0.16 0.00 0.00 0.00 0.00 44.72 44.76 3n04 s GLY 238 CO 0.82 1.78 0.39 0.14 0.00 0.00 0.00 173.10 176.23 3n04 s VAL 239 N 1.77 5.15 0.14 1.40 1.01 0.49 -4.73 120.40 125.62 3n04 s VAL 239 Ca 0.46 0.27 -0.35 0.00 0.00 0.00 0.00 61.98 62.37 3n04 s VAL 239 Cb -0.18 -3.80 -0.15 0.00 0.00 0.00 0.00 36.38 32.24 3n04 s VAL 239 CO 0.19 -0.03 1.37 1.17 0.00 0.00 0.00 175.10 177.80 3n04 n LYS 240 N 5.42 1.49 -2.37 2.72 4.81 -1.26 -1.15 118.16 127.82 3n04 n LYS 240 Ca -0.08 0.54 -0.43 0.00 -0.87 0.00 0.00 58.31 57.47 3n04 n LYS 240 Cb 0.50 -2.18 -0.02 0.00 0.02 0.00 0.00 35.03 33.34 3n04 n LYS 240 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3n04 s VAL 241 N 0.40 3.88 -0.28 3.15 1.01 -0.35 -4.65 120.40 123.55 3n04 s VAL 241 Ca 0.79 0.86 -0.08 0.00 0.00 0.00 0.00 61.98 63.55 3n04 s VAL 241 Cb -0.83 -4.29 0.14 0.00 0.00 0.00 0.00 36.38 31.39 3n04 s VAL 241 CO 0.46 -0.89 0.60 -0.70 0.00 0.00 0.00 175.10 174.57 3n04 s GLU 242 N 5.10 0.53 0.17 2.72 2.12 -1.26 -4.92 118.70 123.17 3n04 s GLU 242 Ca 0.58 1.28 -0.34 0.00 0.36 0.00 0.00 54.97 56.86 3n04 s GLU 242 Cb -0.12 0.69 -0.14 0.00 0.26 0.00 0.00 34.13 34.82 3n04 s GLU 242 CO 0.30 -0.30 1.53 1.17 -0.54 0.00 0.00 175.26 177.42 3n04 n LYS 243 N 5.43 2.07 0.00 4.30 3.00 -1.26 -2.22 118.16 129.48 3n04 n LYS 243 Ca -0.09 0.74 0.00 0.00 -0.00 0.00 0.00 58.31 58.96 3n04 n LYS 243 Cb 0.49 -2.48 0.00 0.00 0.00 0.00 0.00 35.03 33.04 3n04 n LYS 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3n04 n GLY 244 N 3.11 2.96 3.63 3.14 0.00 -1.26 -5.02 105.19 111.76 3n04 n GLY 244 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3n04 n GLY 244 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3n04 s TYR 245 N -2.40 2.59 0.16 1.61 5.04 -0.94 -4.93 117.35 118.48 3n04 s TYR 245 Ca 0.00 0.82 -0.15 0.00 -2.44 0.00 0.00 57.07 55.29 3n04 s TYR 245 Cb 0.00 -3.88 0.08 0.00 0.35 0.00 0.00 41.96 38.51 3n04 s TYR 245 CO 0.00 -1.95 1.75 1.49 -1.34 0.00 0.00 175.55 175.50 3n04 h GLU 246 N 9.45 0.29 -0.26 4.97 4.81 -1.95 0.70 114.58 132.59 3n04 h GLU 246 Ca -0.28 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.99 3n04 h GLU 246 Cb 1.11 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.38 3n04 h GLU 246 CO 1.02 0.19 -0.04 0.28 -0.73 0.00 0.00 179.01 179.73 3n04 h VAL 247 N 0.30 0.77 -0.11 0.32 2.07 -1.93 0.40 116.25 118.06 3n04 h VAL 247 Ca 0.18 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.71 3n04 h VAL 247 Cb 0.16 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3n04 h VAL 247 CO -0.18 0.01 -0.02 0.22 0.02 0.00 0.00 177.57 177.61 3n04 h TYR 248 N 0.03 -0.04 -0.36 1.57 3.20 -1.70 -1.51 116.97 118.16 3n04 h TYR 248 Ca 0.13 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3n04 h TYR 248 Cb 0.18 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 3n04 h TYR 248 CO -0.24 -0.04 0.17 0.93 -1.64 0.00 0.00 178.16 177.35 3n04 h GLU 249 N 0.01 0.53 -0.83 1.82 4.39 -0.23 -1.72 114.58 118.54 3n04 h GLU 249 Ca 0.05 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.70 3n04 h GLU 249 Cb 0.07 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.58 3n04 h GLU 249 CO -0.11 0.48 0.54 0.93 -1.16 0.00 0.00 179.01 179.69 3n04 h GLU 250 N 0.45 1.04 -0.55 2.33 5.08 -0.19 -1.89 114.58 120.85 3n04 h GLU 250 Ca 0.12 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 3n04 h GLU 250 Cb 0.13 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3n04 h GLU 250 CO -0.02 0.69 -0.08 0.78 -1.00 0.00 0.00 179.01 179.38 3n04 h GLY 251 N 1.07 1.09 0.65 -3.84 0.00 -0.88 -2.02 103.07 99.15 3n04 h GLY 251 Ca 0.32 -0.85 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 3n04 h GLY 251 CO -0.10 0.78 -0.28 -2.08 0.00 0.00 0.00 176.54 174.86 3n04 h VAL 252 N 0.90 0.13 -0.98 4.60 2.07 -1.22 -0.85 116.25 120.91 3n04 h VAL 252 Ca 0.15 -0.41 0.25 0.00 0.82 0.00 0.00 66.70 67.50 3n04 h VAL 252 Cb 0.64 0.20 -0.13 0.00 -1.52 0.00 0.00 31.29 30.47 3n04 h VAL 252 CO 0.04 0.02 0.54 0.50 0.02 0.00 0.00 177.57 178.70 3n04 h LYS 253 N -1.14 0.49 -0.42 1.57 3.64 -1.34 -2.19 116.57 117.17 3n04 h LYS 253 Ca -0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3n04 h LYS 253 Cb 0.64 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3n04 h LYS 253 CO 0.13 0.33 0.00 0.09 -2.27 0.00 0.00 179.45 177.73 3n04 n ASN 254 N -4.95 3.37 -3.62 4.20 3.02 -0.76 -4.96 115.26 111.56 3n04 n ASN 254 Ca 0.26 -1.95 -0.22 0.00 -0.03 0.00 0.00 54.58 52.64 3n04 n ASN 254 Cb 0.75 -0.27 0.06 0.00 -0.61 0.00 0.00 39.78 39.71 3n04 n ASN 254 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3n04 n ASN 255 N 1.33 -3.61 -0.25 6.41 3.02 -0.82 -4.91 115.26 116.41 3n04 n ASN 255 Ca 0.18 -0.67 0.12 0.00 -0.03 0.00 0.00 54.58 54.19 3n04 n ASN 255 Cb 0.56 -4.66 0.24 0.00 -0.61 0.00 0.00 39.78 35.31 3n04 n ASN 255 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3n04 n TYR 256 N -4.52 0.00 -3.60 3.10 4.01 -0.37 -4.93 117.16 110.85 3n04 n TYR 256 Ca -0.15 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.35 3n04 n TYR 256 Cb 0.61 -0.10 -0.02 0.00 -0.31 0.00 0.00 39.34 39.52 3n04 n TYR 256 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3n04 s PHE 257 N -2.59 3.48 0.25 -0.72 0.08 -1.25 -0.39 117.98 116.84 3n04 s PHE 257 Ca 0.20 0.27 -0.30 0.00 0.12 0.00 0.00 56.93 57.23 3n04 s PHE 257 Cb 0.19 -1.81 -0.09 0.00 -0.57 0.00 0.00 43.02 40.73 3n04 s PHE 257 CO 0.58 0.26 1.29 0.00 -0.10 0.00 0.00 175.22 177.25 3n04 s LYS 259 N -0.80 2.42 1.08 0.00 1.02 -1.16 -1.93 119.74 120.37 3n04 s LYS 259 Ca 0.53 -0.96 -0.16 0.00 0.02 0.00 0.00 55.97 55.40 3n04 s LYS 259 Cb -0.37 -2.44 0.23 0.00 -0.52 0.00 0.00 37.83 34.73 3n04 s LYS 259 CO 0.43 0.51 1.13 1.03 -0.92 0.00 0.00 175.35 177.52 3n04 s ARG 260 N -2.50 -0.26 0.44 1.68 0.52 0.13 -0.45 118.95 118.51 3n04 s ARG 260 Ca 0.25 0.13 0.11 0.00 -0.52 0.00 0.00 55.73 55.70 3n04 s ARG 260 Cb -0.11 -1.69 0.98 0.00 0.52 0.00 0.00 34.95 34.66 3n04 s ARG 260 CO 0.18 -3.11 2.05 1.49 0.02 0.00 0.00 175.30 175.93 3n04 h GLU 261 N -2.16 0.40 -0.01 3.54 4.81 -1.88 -1.22 114.58 118.07 3n04 h GLU 261 Ca -0.49 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3n04 h GLU 261 Cb 1.31 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3n04 h GLU 261 CO 0.46 0.27 0.00 -0.40 -0.73 0.00 0.00 179.01 178.60 3n04 n ASP 262 N -4.48 0.17 0.00 1.04 5.68 -1.26 -4.91 116.55 112.79 3n04 n ASP 262 Ca 0.04 -1.21 0.00 0.00 -0.50 0.00 0.00 54.79 53.12 3n04 n ASP 262 Cb 0.16 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 3n04 n ASP 262 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3n04 n GLY 263 N 0.94 0.88 3.80 6.12 0.00 -0.46 -5.05 105.19 111.42 3n04 n GLY 263 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3n04 n GLY 263 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3n04 s SER 264 N -2.96 6.10 -0.19 1.61 1.04 -1.26 -4.75 113.70 113.29 3n04 s SER 264 Ca 0.00 1.86 -0.29 0.00 0.48 0.00 0.00 55.95 58.00 3n04 s SER 264 Cb 0.00 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.55 3n04 s SER 264 CO 0.00 -0.95 1.49 -1.81 0.98 0.00 0.00 173.24 172.95 3n04 s ASP 265 N -2.41 6.61 0.28 7.02 1.01 -1.26 0.22 116.67 128.14 3n04 s ASP 265 Ca 0.65 1.68 -0.30 0.00 0.71 0.00 0.00 52.55 55.29 3n04 s ASP 265 Cb -0.16 -2.53 -0.13 0.00 1.01 0.00 0.00 42.92 41.11 3n04 s ASP 265 CO 0.28 -1.05 1.42 0.33 0.21 0.00 0.00 175.17 176.36 3n04 n PHE 266 N 7.64 2.34 -4.01 4.23 7.35 -0.81 -4.84 117.46 129.36 3n04 n PHE 266 Ca 0.17 0.43 -0.34 0.00 -0.76 0.00 0.00 57.45 56.94 3n04 n PHE 266 Cb 0.45 -2.48 -0.15 0.00 0.35 0.00 0.00 39.48 37.66 3n04 n PHE 266 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3n04 s VAL 267 N -0.31 3.00 -0.05 -2.13 1.01 -1.26 -4.34 120.40 116.31 3n04 s VAL 267 Ca 0.64 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 62.05 3n04 s VAL 267 Cb -0.60 -2.34 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 3n04 s VAL 267 CO 0.53 0.46 -0.20 0.00 0.00 0.00 0.00 175.10 175.88 3n04 s ALA 268 N 1.37 1.79 -0.01 5.51 0.00 -0.66 -3.64 121.76 126.12 3n04 s ALA 268 Ca 0.05 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 50.88 3n04 s ALA 268 Cb -0.14 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 3n04 s ALA 268 CO -0.05 0.32 1.05 0.00 0.00 0.00 0.00 175.76 177.07 3n04 s ALA 269 N 0.02 3.28 0.00 0.00 0.00 0.01 -0.15 121.76 124.91 3n04 s ALA 269 Ca -0.05 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.49 3n04 s ALA 269 Cb -0.13 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3n04 s ALA 269 CO 0.03 -0.38 0.00 0.28 0.00 0.00 0.00 175.76 175.69 3n04 n VAL 270 N 4.07 0.00 -0.34 0.00 0.31 -0.13 -1.38 118.33 120.86 3n04 n VAL 270 Ca 0.07 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.59 3n04 n VAL 270 Cb 0.49 0.00 0.39 0.00 -0.91 0.00 0.00 33.84 33.82 3n04 n VAL 270 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 3n04 h TRP 271 N 0.00 1.00 -0.22 3.52 4.06 -1.95 -0.65 115.95 121.72 3n04 h TRP 271 Ca 0.00 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.99 3n04 h TRP 271 Cb 0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 29.16 27.87 3n04 h TRP 271 CO 0.00 0.04 0.00 -0.35 -3.56 0.00 0.00 178.44 174.57 3n04 n PRO 272 N -4.90 1.51 0.00 0.49 -0.05 -1.26 -4.96 135.00 125.82 3n04 n PRO 272 Ca 0.27 -0.80 0.00 0.00 -0.05 0.00 0.00 63.50 62.93 3n04 n PRO 272 Cb 0.77 -1.19 0.00 0.00 -0.05 0.00 0.00 33.50 33.03 3n04 n PRO 272 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3n04 n GLY 273 N 0.87 0.44 3.70 0.55 0.00 -0.25 -4.90 105.19 105.59 3n04 n GLY 273 Ca 0.08 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 3n04 n GLY 273 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3n04 s ASP 274 N -4.00 6.44 0.23 1.61 1.11 -1.26 -0.96 116.67 119.83 3n04 s ASP 274 Ca 0.00 2.75 0.03 0.00 0.18 0.00 0.00 52.55 55.52 3n04 s ASP 274 Cb 0.00 -2.57 -0.05 0.00 1.07 0.00 0.00 42.92 41.36 3n04 s ASP 274 CO 0.00 -0.98 -0.00 0.42 1.18 0.00 0.00 175.17 175.78 3n04 s THR 275 N 2.36 1.02 0.10 -1.27 -4.23 0.78 -1.22 115.64 113.18 3n04 s THR 275 Ca 0.79 -2.03 0.07 0.00 -1.18 0.00 0.00 61.69 59.34 3n04 s THR 275 Cb -0.46 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.00 3n04 s THR 275 CO 0.35 -0.33 -0.12 -1.00 -0.54 0.00 0.00 174.62 172.98 3n04 s HIS 276 N -3.43 2.69 -0.20 3.99 3.76 -0.30 -1.65 115.29 120.15 3n04 s HIS 276 Ca 0.28 -0.18 -0.12 0.00 -0.15 0.00 0.00 55.06 54.89 3n04 s HIS 276 Cb 0.06 -1.42 -0.05 0.00 1.11 0.00 0.00 32.58 32.28 3n04 s HIS 276 CO 0.09 0.40 0.23 -0.06 -0.85 0.00 0.00 174.74 174.55 3n04 s PHE 277 N -1.17 3.39 0.50 1.40 0.08 -1.26 -0.38 117.98 120.54 3n04 s PHE 277 Ca 0.20 0.43 -0.23 0.00 0.12 0.00 0.00 56.93 57.44 3n04 s PHE 277 Cb -0.11 -2.31 -0.07 0.00 -0.57 0.00 0.00 43.02 39.97 3n04 s PHE 277 CO 0.12 0.16 1.37 -2.30 -0.10 0.00 0.00 175.22 174.47 3n04 n PRO 278 N 3.92 1.93 -1.93 0.24 -0.02 -1.26 -0.99 135.00 136.88 3n04 n PRO 278 Ca -0.13 0.70 -0.30 0.00 -2.02 0.00 0.00 63.50 61.75 3n04 n PRO 278 Cb 0.52 -2.57 0.04 0.00 -0.02 0.00 0.00 33.50 31.47 3n04 n PRO 278 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3n04 s ASP 279 N -0.70 5.58 0.00 2.55 -1.08 0.48 -4.64 116.67 118.85 3n04 s ASP 279 Ca 0.66 1.13 0.00 0.00 -0.52 0.00 0.00 52.55 53.83 3n04 s ASP 279 Cb -0.44 -1.99 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 3n04 s ASP 279 CO 0.53 -1.24 0.00 0.18 0.52 0.00 0.00 175.17 175.16 3n04 n LEU 281 N -2.93 0.00 -4.61 -1.34 4.32 -1.26 -4.27 117.00 106.91 3n04 n LEU 281 Ca 0.06 0.00 -0.39 0.00 -0.02 0.00 0.00 56.01 55.66 3n04 n LEU 281 Cb 0.57 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.28 3n04 n LEU 281 CO 0.57 0.00 0.15 0.21 -1.22 0.00 0.00 177.39 177.10 3n04 s ASN 282 N 0.00 6.34 0.21 -1.43 3.84 -1.25 -4.59 114.94 118.06 3n04 s ASN 282 Ca 0.00 0.40 -0.09 0.00 0.21 0.00 0.00 52.86 53.38 3n04 s ASN 282 Cb 0.00 -2.24 0.27 0.00 -0.55 0.00 0.00 41.25 38.73 3n04 s ASN 282 CO 0.00 -0.23 1.77 -0.65 -2.79 0.00 0.00 177.10 175.20 3n04 h PRO 283 N 8.07 0.51 -0.39 0.43 0.11 -1.85 0.16 132.00 139.04 3n04 h PRO 283 Ca -0.30 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 3n04 h PRO 283 Cb 1.15 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3n04 h PRO 283 CO 0.68 0.33 0.21 1.49 -0.21 0.00 0.00 178.00 180.50 3n04 h GLU 284 N 0.52 0.55 -0.71 1.05 4.81 -1.94 -1.13 114.58 117.73 3n04 h GLU 284 Ca 0.31 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3n04 h GLU 284 Cb 0.31 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 3n04 h GLU 284 CO -0.26 0.46 0.43 0.00 -0.73 0.00 0.00 179.01 178.91 3n04 h ALA 285 N 1.06 0.91 -0.22 2.92 0.00 -1.70 -1.97 119.26 120.26 3n04 h ALA 285 Ca 0.14 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3n04 h ALA 285 Cb 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3n04 h ALA 285 CO -0.02 0.38 0.06 0.00 0.00 0.00 0.00 179.25 179.67 3n04 h ARG 286 N 0.97 0.15 -0.82 0.00 3.08 -0.36 -0.99 114.38 116.42 3n04 h ARG 286 Ca 0.26 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 3n04 h ARG 286 Cb -0.03 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 3n04 h ARG 286 CO -0.05 0.10 0.38 -0.22 -1.07 0.00 0.00 179.97 179.11 3n04 h LYS 287 N 0.15 1.18 -0.27 0.04 3.64 -0.96 -1.24 116.57 119.11 3n04 h LYS 287 Ca 0.10 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 3n04 h LYS 287 Cb 0.08 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3n04 h LYS 287 CO -0.12 0.91 0.04 2.35 -2.27 0.00 0.00 179.45 180.37 3n04 h TRP 288 N 1.17 0.48 -0.11 1.91 7.01 -1.11 -1.18 115.95 124.12 3n04 h TRP 288 Ca 0.28 -0.07 -0.02 0.00 2.11 0.00 0.00 58.89 61.20 3n04 h TRP 288 Cb 0.13 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.05 3n04 h TRP 288 CO 0.02 0.55 0.01 0.35 -2.79 0.00 0.00 178.44 176.58 3n04 h PHE 289 N 0.26 0.20 -0.98 2.65 3.57 -1.03 -2.99 116.94 118.63 3n04 h PHE 289 Ca 0.08 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.58 3n04 h PHE 289 Cb 0.33 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 3n04 h PHE 289 CO 0.02 0.41 0.64 0.78 -2.23 0.00 0.00 178.31 177.93 3n04 h GLY 290 N -0.06 1.41 2.00 2.40 0.00 -1.25 -1.66 103.07 105.91 3n04 h GLY 290 Ca 0.03 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3n04 h GLY 290 CO 0.00 0.44 -0.01 -0.55 0.00 0.00 0.00 176.54 176.42 3n04 h ASP 291 N 1.26 0.00 0.71 0.19 5.19 -1.09 -2.24 116.42 120.44 3n04 h ASP 291 Ca 0.38 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.79 3n04 h ASP 291 Cb -0.04 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.47 3n04 h ASP 291 CO -0.11 0.01 -0.03 0.11 -3.12 0.00 0.00 179.24 176.11 3n04 h LYS 292 N 0.00 0.00 0.00 3.56 1.79 -1.16 -2.18 116.57 118.58 3n04 h LYS 292 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3n04 h LYS 292 Cb 0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 3n04 h LYS 292 CO 0.00 0.03 0.00 1.88 -1.08 0.00 0.00 179.45 180.28 3n04 h TYR 293 N 0.00 0.00 -0.87 -1.35 -1.99 -1.53 -1.94 116.97 109.29 3n04 h TYR 293 Ca -0.00 0.00 0.19 0.00 2.00 0.00 0.00 58.73 60.92 3n04 h TYR 293 Cb 0.39 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.06 3n04 h TYR 293 CO 0.00 0.00 0.58 0.00 -0.00 0.00 0.00 178.16 178.74 3n04 h ARG 294 N 0.00 0.41 -0.75 4.88 3.08 -1.59 -1.37 114.38 119.05 3n04 h ARG 294 Ca 0.00 -0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.16 3n04 h ARG 294 Cb 0.25 -0.09 -0.09 0.00 0.08 0.00 0.00 29.97 30.11 3n04 h ARG 294 CO 0.00 0.27 0.31 0.35 -1.07 0.00 0.00 179.97 179.83 3n04 h PHE 295 N 0.43 0.52 0.12 3.04 3.57 -1.57 0.12 116.94 123.18 3n04 h PHE 295 Ca 0.45 0.04 -0.32 0.00 3.53 0.00 0.00 57.97 61.66 3n04 h PHE 295 Cb 1.08 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 3n04 h PHE 295 CO -0.00 0.07 -1.68 -0.07 -2.23 0.00 0.00 178.31 174.40 3n04 h LEU 296 N 0.45 0.39 -0.46 0.59 3.38 -1.53 -3.35 115.31 114.79 3n04 h LEU 296 Ca 0.41 -0.63 0.01 0.00 0.09 0.00 0.00 57.88 57.76 3n04 h LEU 296 Cb 0.61 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3n04 h LEU 296 CO -0.39 1.54 0.29 0.40 0.09 0.00 0.00 178.44 180.37 3n04 h ILE 297 N 0.07 1.09 0.00 1.22 2.04 -0.99 -0.85 117.51 120.09 3n04 h ILE 297 Ca -0.30 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.36 3n04 h ILE 297 Cb 2.03 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 3n04 h ILE 297 CO 0.14 0.11 0.00 0.47 0.00 0.00 0.00 178.15 178.87 3n04 n ASP 298 N -4.79 0.00 -0.90 1.72 8.00 0.01 -0.86 116.55 119.72 3n04 n ASP 298 Ca 0.02 0.39 0.09 0.00 0.71 0.00 0.00 54.79 56.00 3n04 n ASP 298 Cb 0.04 -0.41 0.17 0.00 -0.02 0.00 0.00 41.12 40.90 3n04 n ASP 298 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3n04 n GLN 299 N -1.41 2.20 0.00 -1.24 6.02 -0.35 -4.96 117.38 117.64 3n04 n GLN 299 Ca 0.01 -2.02 0.00 0.00 -0.01 0.00 0.00 57.00 54.98 3n04 n GLN 299 Cb 0.03 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 29.89 3n04 n GLN 299 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3n04 n GLY 300 N 1.10 1.02 3.75 1.08 0.00 -0.04 -4.53 105.19 107.57 3n04 n GLY 300 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3n04 n GLY 300 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n04 s ILE 301 N -2.00 4.65 -0.18 -0.61 -1.09 -1.06 -4.97 121.20 115.94 3n04 s ILE 301 Ca 0.00 1.64 0.02 0.00 -2.23 0.00 0.00 60.65 60.08 3n04 s ILE 301 Cb 0.00 -4.12 0.05 0.00 -1.58 0.00 0.00 42.46 36.82 3n04 s ILE 301 CO 0.00 0.40 1.02 -0.62 -1.23 0.00 0.00 174.94 174.51 3n04 n GLU 302 N 2.51 2.77 -3.56 2.79 1.02 -1.26 -4.34 120.64 120.56 3n04 n GLU 302 Ca -0.03 -1.55 -0.06 0.00 -0.02 0.00 0.00 57.16 55.50 3n04 n GLU 302 Cb 0.50 -1.05 -0.02 0.00 -0.02 0.00 0.00 31.44 30.85 3n04 n GLU 302 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3n04 s GLY 303 N -0.95 -0.39 0.18 0.62 0.00 -1.26 -1.77 107.32 103.74 3n04 s GLY 303 Ca 0.04 1.07 -0.12 0.00 0.00 0.00 0.00 44.72 45.72 3n04 s GLY 303 CO 0.03 0.35 0.37 -1.36 0.00 0.00 0.00 173.10 172.49 3n04 s PHE 304 N -2.88 0.21 0.00 1.90 0.08 -0.02 -3.79 117.98 113.48 3n04 s PHE 304 Ca 0.08 -0.56 0.01 0.00 0.12 0.00 0.00 56.93 56.57 3n04 s PHE 304 Cb -0.01 0.11 -0.01 0.00 -0.57 0.00 0.00 43.02 42.55 3n04 s PHE 304 CO -0.06 -0.80 -0.03 1.67 -0.10 0.00 0.00 175.22 175.90 3n04 s TRP 305 N -3.93 0.29 -0.17 0.36 -2.14 -0.98 -3.02 118.94 109.36 3n04 s TRP 305 Ca 0.14 -0.13 -0.07 0.00 2.66 0.00 0.00 56.10 58.70 3n04 s TRP 305 Cb 0.02 -0.19 -0.04 0.00 -3.10 0.00 0.00 33.47 30.16 3n04 s TRP 305 CO -0.01 -0.03 0.06 -0.80 -2.66 0.00 0.00 176.95 173.51 3n04 s ASN 306 N -0.32 5.64 -0.38 -2.66 0.02 -0.42 -0.54 114.94 116.27 3n04 s ASN 306 Ca -0.01 0.11 0.00 0.00 -1.02 0.00 0.00 52.86 51.94 3n04 s ASN 306 Cb -0.03 -1.93 0.13 0.00 0.02 0.00 0.00 41.25 39.45 3n04 s ASN 306 CO -0.00 0.21 0.20 -0.62 0.02 0.00 0.00 177.10 176.91 3n04 s ASP 307 N 0.15 3.39 0.00 -1.22 2.15 -0.40 -2.33 116.67 118.41 3n04 s ASP 307 Ca 0.05 -2.24 0.00 0.00 0.43 0.00 0.00 52.55 50.79 3n04 s ASP 307 Cb -0.12 -0.70 0.00 0.00 -0.30 0.00 0.00 42.92 41.80 3n04 s ASP 307 CO 0.01 -0.31 0.00 -0.46 -0.17 0.00 0.00 175.17 174.23 3n04 n ASN 309 N 4.02 0.00 -0.20 -0.34 6.94 -1.26 -2.79 115.26 121.64 3n04 n ASN 309 Ca 0.08 0.00 -0.10 0.00 -0.02 0.00 0.00 54.58 54.54 3n04 n ASN 309 Cb 0.37 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.80 3n04 n ASN 309 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 3n04 h GLU 310 N 0.00 1.04 -6.56 -3.83 3.07 -1.95 -2.72 114.58 103.62 3n04 h GLU 310 Ca 0.00 -0.36 -0.52 0.00 -0.50 0.00 0.00 59.36 57.98 3n04 h GLU 310 Cb 0.00 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.80 3n04 h GLU 310 CO 0.00 1.05 0.13 -1.25 -1.40 0.00 0.00 179.01 177.54 3n04 s PRO 311 N -4.94 4.35 0.34 2.33 0.04 -1.26 -4.58 135.00 131.28 3n04 s PRO 311 Ca -0.12 0.96 -0.28 0.00 0.04 0.00 0.00 61.00 61.61 3n04 s PRO 311 Cb 0.13 -2.98 -0.09 0.00 0.04 0.00 0.00 34.50 31.60 3n04 s PRO 311 CO 0.86 0.44 1.21 0.00 0.04 0.00 0.00 177.00 179.55 3n04 s ALA 312 N -1.42 3.36 -0.17 8.56 0.00 -1.26 -5.00 121.76 125.83 3n04 s ALA 312 Ca 0.41 1.07 -0.03 0.00 0.00 0.00 0.00 51.96 53.41 3n04 s ALA 312 Cb -0.18 -3.41 0.06 0.00 0.00 0.00 0.00 23.12 19.58 3n04 s ALA 312 CO 0.22 -0.48 0.05 0.42 0.00 0.00 0.00 175.76 175.97 3n04 s ILE 313 N -1.23 0.31 0.15 0.00 1.01 -1.26 -4.89 121.20 115.28 3n04 s ILE 313 Ca 0.50 -0.34 -0.14 0.00 0.00 0.00 0.00 60.65 60.68 3n04 s ILE 313 Cb -0.35 -0.82 0.02 0.00 0.01 0.00 0.00 42.46 41.33 3n04 s ILE 313 CO 0.45 -0.16 1.66 -0.26 0.00 0.00 0.00 174.94 176.63 3n04 h PHE 314 N 8.31 0.80 -1.98 3.97 0.04 -1.54 0.19 116.94 126.73 3n04 h PHE 314 Ca -0.16 -0.09 0.17 0.00 2.80 0.00 0.00 57.97 60.68 3n04 h PHE 314 Cb 1.13 -0.23 -0.16 0.00 2.20 0.00 0.00 35.95 38.89 3n04 h PHE 314 CO 0.27 0.72 0.61 1.52 -0.60 0.00 0.00 178.31 180.84 3n04 s TYR 315 N -5.33 -0.25 0.41 -0.55 -0.85 -1.25 -3.78 117.35 105.76 3n04 s TYR 315 Ca -0.13 0.14 0.08 0.00 -0.52 0.00 0.00 57.07 56.64 3n04 s TYR 315 Cb 0.11 0.53 0.00 0.00 0.38 0.00 0.00 41.96 42.99 3n04 s TYR 315 CO 0.79 -0.43 0.53 -1.54 -1.52 0.00 0.00 175.55 173.38 3n04 s SER 316 N -2.41 5.56 0.25 -0.18 1.04 -1.26 -0.81 113.70 115.89 3n04 s SER 316 Ca 0.07 -0.47 -0.05 0.00 0.48 0.00 0.00 55.95 55.98 3n04 s SER 316 Cb -0.01 -0.67 0.30 0.00 0.10 0.00 0.00 66.02 65.73 3n04 s SER 316 CO -0.07 -0.72 1.92 0.28 0.98 0.00 0.00 173.24 175.63 3n04 h SER 317 N 0.73 1.13 -0.28 7.02 0.02 -1.98 -0.68 113.55 119.50 3n04 h SER 317 Ca -0.41 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.47 3n04 h SER 317 Cb 1.28 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 3n04 h SER 317 CO 0.48 0.80 -0.03 -0.33 -1.14 0.00 0.00 176.83 176.61 3n04 h GLU 318 N 1.33 0.51 -0.67 3.45 3.07 -1.95 -2.19 114.58 118.13 3n04 h GLU 318 Ca 0.38 -0.18 -0.07 0.00 -0.50 0.00 0.00 59.36 58.99 3n04 h GLU 318 Cb -0.09 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.75 3n04 h GLU 318 CO -0.10 0.69 0.15 0.78 -1.40 0.00 0.00 179.01 179.13 3n04 h GLY 319 N 0.29 1.16 0.92 -3.84 0.00 -1.90 -2.42 103.07 97.29 3n04 h GLY 319 Ca 0.08 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.64 3n04 h GLY 319 CO 0.02 0.69 0.13 -2.00 0.00 0.00 0.00 176.54 175.38 3n04 h LEU 320 N 1.00 0.47 -0.50 3.11 5.85 -1.10 -1.15 115.31 122.99 3n04 h LEU 320 Ca 0.21 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3n04 h LEU 320 Cb 0.39 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 3n04 h LEU 320 CO 0.01 0.51 0.29 0.00 -0.34 0.00 0.00 178.44 178.90 3n04 h ALA 321 N 0.97 0.64 -0.55 1.25 0.00 -1.27 -0.51 119.26 119.79 3n04 h ALA 321 Ca 0.11 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3n04 h ALA 321 Cb 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3n04 h ALA 321 CO -0.01 -0.03 0.33 0.93 0.00 0.00 0.00 179.25 180.48 3n04 h GLU 322 N 0.57 0.64 -0.68 0.00 5.08 -1.34 -0.36 114.58 118.48 3n04 h GLU 322 Ca 0.21 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3n04 h GLU 322 Cb 0.05 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3n04 h GLU 322 CO -0.11 0.42 0.27 0.00 -1.00 0.00 0.00 179.01 178.60 3n04 h ALA 323 N 1.25 0.88 -0.44 3.43 0.00 -0.74 -0.06 119.26 123.57 3n04 h ALA 323 Ca 0.22 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3n04 h ALA 323 Cb 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3n04 h ALA 323 CO -0.10 0.49 -0.22 0.87 0.00 0.00 0.00 179.25 180.29 3n04 h LYS 324 N 0.96 0.89 -0.15 0.00 1.57 -0.88 -1.08 116.57 117.87 3n04 h LYS 324 Ca 0.23 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3n04 h LYS 324 Cb 0.20 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3n04 h LYS 324 CO -0.02 1.02 0.08 1.49 -0.57 0.00 0.00 179.45 181.45 3n04 h GLU 325 N 0.77 0.22 -0.70 3.15 4.81 -0.62 -1.62 114.58 120.59 3n04 h GLU 325 Ca 0.10 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3n04 h GLU 325 Cb 0.76 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 3n04 h GLU 325 CO 0.06 0.23 0.39 0.35 -0.73 0.00 0.00 179.01 179.31 3n04 h PHE 326 N 0.14 0.96 -0.50 0.92 3.57 -0.94 -2.51 116.94 118.58 3n04 h PHE 326 Ca 0.05 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.56 3n04 h PHE 326 Cb 0.08 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 3n04 h PHE 326 CO -0.04 0.68 0.33 0.00 -2.23 0.00 0.00 178.31 177.05 3n04 h ALA 327 N 1.19 1.75 -0.41 2.41 0.00 -1.01 -0.91 119.26 122.28 3n04 h ALA 327 Ca 0.25 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3n04 h ALA 327 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3n04 h ALA 327 CO -0.04 0.20 -0.16 0.78 0.00 0.00 0.00 179.25 180.03 3n04 h GLY 328 N 0.58 0.82 0.88 0.00 0.00 -0.88 0.07 103.07 104.54 3n04 h GLY 328 Ca 0.20 -0.65 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 3n04 h GLY 328 CO -0.05 0.60 -0.03 0.83 0.00 0.00 0.00 176.54 177.88 3n04 h GLU 329 N 0.68 0.53 -0.39 4.80 5.08 -0.98 -3.06 114.58 121.24 3n04 h GLU 329 Ca 0.11 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3n04 h GLU 329 Cb 0.65 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 3n04 h GLU 329 CO 0.05 0.71 0.16 0.35 -1.00 0.00 0.00 179.01 179.27 3n04 h PHE 330 N 0.31 0.29 -0.66 4.33 3.57 -0.99 -2.19 116.94 121.60 3n04 h PHE 330 Ca 0.08 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.66 3n04 h PHE 330 Cb 0.49 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.10 3n04 h PHE 330 CO 0.04 0.13 0.35 0.00 -2.23 0.00 0.00 178.31 176.61 3n04 h ALA 331 N 1.23 0.88 -0.41 2.41 0.00 -0.94 -2.71 119.26 119.72 3n04 h ALA 331 Ca 0.17 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3n04 h ALA 331 Cb 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3n04 h ALA 331 CO -0.15 0.01 0.00 0.36 0.00 0.00 0.00 179.25 179.47 3n04 n LYS 332 N -4.81 2.49 -2.14 0.00 -0.00 -1.16 -4.91 118.16 107.62 3n04 n LYS 332 Ca 0.08 -2.26 -0.42 0.00 -0.00 0.00 0.00 58.31 55.71 3n04 n LYS 332 Cb 0.19 -1.51 -0.03 0.00 -0.00 0.00 0.00 35.03 33.68 3n04 n LYS 332 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3n04 s ASP 333 N -1.45 6.76 -0.01 -5.58 3.68 -0.83 -4.87 116.67 114.37 3n04 s ASP 333 Ca 0.39 2.07 0.11 0.00 2.13 0.00 0.00 52.55 57.26 3n04 s ASP 333 Cb 0.23 -2.54 -0.16 0.00 -1.45 0.00 0.00 42.92 39.00 3n04 s ASP 333 CO 0.32 -0.87 0.31 0.35 0.13 0.00 0.00 175.17 175.40 3n04 n THR 334 N 5.43 0.00 -0.95 1.71 -2.24 -1.26 -4.66 114.28 112.32 3n04 n THR 334 Ca 0.16 -0.26 0.03 0.00 -2.27 0.00 0.00 64.05 61.72 3n04 n THR 334 Cb 0.43 0.42 0.38 0.00 -2.10 0.00 0.00 70.33 69.46 3n04 n THR 334 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3n04 n GLU 335 N -1.75 4.61 -3.15 -0.78 1.02 -1.26 -4.95 120.64 114.39 3n04 n GLU 335 Ca -0.01 -3.16 -0.22 0.00 -0.02 0.00 0.00 57.16 53.75 3n04 n GLU 335 Cb 0.27 -2.27 0.02 0.00 -0.02 0.00 0.00 31.44 29.44 3n04 n GLU 335 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n04 n GLY 336 N 0.41 -0.51 0.10 0.62 0.00 -1.26 -4.90 105.19 99.65 3n04 n GLY 336 Ca 0.32 0.11 -0.14 0.00 0.00 0.00 0.00 46.02 46.31 3n04 n GLY 336 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n04 h LYS 337 N -1.17 0.17 -4.81 1.61 1.57 -1.93 -3.43 116.57 108.59 3n04 h LYS 337 Ca -0.48 -0.29 -0.68 0.00 -1.87 0.00 0.00 60.65 57.33 3n04 h LYS 337 Cb 1.33 0.11 -0.27 0.00 0.08 0.00 0.00 32.23 33.48 3n04 h LYS 337 CO 0.55 1.03 -0.63 0.42 -0.57 0.00 0.00 179.45 180.24 3n04 s ILE 338 N -2.64 3.83 0.37 1.86 1.09 -1.26 -5.10 121.20 119.34 3n04 s ILE 338 Ca -0.06 -0.76 -0.13 0.00 -1.10 0.00 0.00 60.65 58.60 3n04 s ILE 338 Cb 0.08 -2.99 -0.08 0.00 -1.06 0.00 0.00 42.46 38.41 3n04 s ILE 338 CO 0.85 0.07 0.75 -1.00 -0.10 0.00 0.00 174.94 175.51 3n04 s HIS 339 N 1.47 3.42 0.51 3.97 3.76 -1.26 -4.98 115.29 122.19 3n04 s HIS 339 Ca 0.02 1.13 0.18 0.00 -0.15 0.00 0.00 55.06 56.24 3n04 s HIS 339 Cb -0.17 -2.49 1.27 0.00 1.11 0.00 0.00 32.58 32.29 3n04 s HIS 339 CO 0.02 -0.01 2.09 -1.35 -0.85 0.00 0.00 174.74 174.63 3n04 h PRO 340 N 1.74 0.06 -0.02 8.40 0.10 -2.00 -1.66 132.00 138.63 3n04 h PRO 340 Ca -0.47 -0.00 -0.10 0.00 0.10 0.00 0.00 66.00 65.52 3n04 h PRO 340 Cb 1.18 -0.01 -0.01 0.00 0.10 0.00 0.00 31.00 32.25 3n04 h PRO 340 CO 0.65 0.04 -0.46 0.11 0.10 0.00 0.00 178.00 178.43 3n04 h TRP 341 N 0.06 0.05 0.00 0.65 0.09 -2.04 0.19 115.95 114.95 3n04 h TRP 341 Ca 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 58.89 59.07 3n04 h TRP 341 Cb 0.34 -0.01 0.00 0.00 0.08 0.00 0.00 29.16 29.56 3n04 h TRP 341 CO -0.00 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.03 3n04 n ALA 342 N -2.46 1.84 0.00 0.11 0.00 -0.63 -1.56 120.51 117.82 3n04 n ALA 342 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3n04 n ALA 342 Cb 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3n04 n ALA 342 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3n04 n GLN 344 N 0.78 0.00 -0.15 0.00 6.02 0.05 -1.99 117.38 122.09 3n04 n GLN 344 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 3n04 n GLN 344 Cb 0.17 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.44 3n04 n GLN 344 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3n04 h ALA 345 N 0.00 0.58 0.00 -1.58 0.00 -1.56 -1.91 119.26 114.79 3n04 h ALA 345 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3n04 h ALA 345 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3n04 h ALA 345 CO 0.00 0.15 0.00 1.17 0.00 0.00 0.00 179.25 180.57 3n04 n LYS 346 N -4.64 0.00 0.00 0.00 3.00 -0.84 -0.83 118.16 114.85 3n04 n LYS 346 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 3n04 n LYS 346 Cb 0.12 -0.92 0.00 0.00 0.00 0.00 0.00 35.03 34.24 3n04 n LYS 346 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3n04 n LYS 348 N 0.43 0.00 0.29 1.64 5.02 -0.72 -2.82 118.16 122.00 3n04 n LYS 348 Ca 0.00 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.46 3n04 n LYS 348 Cb 0.00 0.00 0.84 0.00 -0.02 0.00 0.00 35.03 35.85 3n04 n LYS 348 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 3n04 h ASP 349 N 0.00 0.00 0.84 4.39 1.82 -1.25 -2.60 116.42 119.62 3n04 h ASP 349 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 3n04 h ASP 349 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 3n04 h ASP 349 CO 0.00 0.06 -0.23 2.30 -1.61 0.00 0.00 179.24 179.75 3n04 n ILE 350 N -3.35 0.07 -3.02 2.25 -5.35 -1.13 -4.39 119.36 104.46 3n04 n ILE 350 Ca -0.01 -0.04 -0.41 0.00 -0.27 0.00 0.00 62.75 62.02 3n04 n ILE 350 Cb 0.22 -0.20 -0.05 0.00 -1.74 0.00 0.00 39.64 37.87 3n04 n ILE 350 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3n04 s VAL 351 N -3.02 4.96 -1.44 7.28 1.01 -0.98 -4.12 120.40 124.09 3n04 s VAL 351 Ca 0.12 1.38 -0.06 0.00 0.00 0.00 0.00 61.98 63.42 3n04 s VAL 351 Cb 0.17 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.57 3n04 s VAL 351 CO 0.61 0.08 0.73 0.59 0.00 0.00 0.00 175.10 177.11 3n04 n ASN 352 N 5.09 -2.25 -4.73 3.32 3.02 0.66 -4.88 115.26 115.49 3n04 n ASN 352 Ca 0.01 -0.87 -0.41 0.00 -0.03 0.00 0.00 54.58 53.28 3n04 n ASN 352 Cb 0.49 -3.63 -0.03 0.00 -0.61 0.00 0.00 39.78 36.00 3n04 n ASN 352 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3n04 s SER 353 N -3.95 7.08 0.30 6.41 0.15 -1.26 -4.93 113.70 117.51 3n04 s SER 353 Ca 0.27 2.19 0.04 0.00 0.70 0.00 0.00 55.95 59.15 3n04 s SER 353 Cb -0.14 -2.60 0.67 0.00 -1.71 0.00 0.00 66.02 62.24 3n04 s SER 353 CO 0.85 -0.40 1.81 -0.65 1.20 0.00 0.00 173.24 176.05 3n04 h PRO 354 N 5.64 0.83 -0.52 5.44 0.11 -1.90 -0.69 132.00 140.92 3n04 h PRO 354 Ca -0.44 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3n04 h PRO 354 Cb 1.21 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 3n04 h PRO 354 CO 0.76 0.55 0.21 0.93 -0.21 0.00 0.00 178.00 180.25 3n04 h GLU 355 N 0.86 0.74 -0.30 1.05 3.07 -1.95 -2.49 114.58 115.56 3n04 h GLU 355 Ca 0.53 -0.11 -0.08 0.00 -0.50 0.00 0.00 59.36 59.21 3n04 h GLU 355 Cb 0.71 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 3n04 h GLU 355 CO -0.31 0.61 -0.15 -0.44 -1.40 0.00 0.00 179.01 177.32 3n04 h ASP 356 N 0.74 0.51 0.62 1.42 3.32 -1.51 -2.58 116.42 118.93 3n04 h ASP 356 Ca 0.18 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3n04 h ASP 356 Cb 0.14 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3n04 h ASP 356 CO -0.02 0.68 0.00 -1.22 -1.72 0.00 0.00 179.24 176.96 3n04 n TYR 357 N -4.18 0.35 -0.32 4.55 4.01 -0.94 -1.48 117.16 119.15 3n04 n TYR 357 Ca 0.00 0.14 0.10 0.00 -0.16 0.00 0.00 57.90 57.98 3n04 n TYR 357 Cb 0.34 -0.72 0.27 0.00 -0.31 0.00 0.00 39.34 38.91 3n04 n TYR 357 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 3n04 n LYS 358 N -1.82 2.82 0.00 -0.72 2.85 -0.98 -1.55 118.16 118.76 3n04 n LYS 358 Ca 0.03 -2.46 0.11 0.00 -1.05 0.00 0.00 58.31 54.94 3n04 n LYS 358 Cb 0.20 -1.48 0.14 0.00 -0.65 0.00 0.00 35.03 33.25 3n04 n LYS 358 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3n04 n ARG 359 N 1.22 0.21 -4.20 -1.58 1.74 -0.55 -4.90 116.66 108.61 3n04 n ARG 359 Ca 0.20 -0.15 -0.12 0.00 -0.77 0.00 0.00 57.85 57.01 3n04 n ARG 359 Cb 0.57 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.41 3n04 n ARG 359 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3n04 s PHE 360 N -2.89 1.03 0.15 -1.55 -0.12 -1.26 -4.14 117.98 109.21 3n04 s PHE 360 Ca 0.13 -0.84 0.07 0.00 -0.05 0.00 0.00 56.93 56.24 3n04 s PHE 360 Cb 0.17 -0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 41.96 3n04 s PHE 360 CO 0.71 -0.06 -0.16 0.71 -0.05 0.00 0.00 175.22 176.38 3n04 s TYR 361 N -3.45 1.62 -0.02 3.49 2.02 0.40 -0.90 117.35 120.51 3n04 s TYR 361 Ca 0.13 -0.53 -0.00 0.00 -0.37 0.00 0.00 57.07 56.30 3n04 s TYR 361 Cb 0.04 -0.81 -0.04 0.00 -0.40 0.00 0.00 41.96 40.75 3n04 s TYR 361 CO -0.03 0.25 0.04 -1.01 -1.57 0.00 0.00 175.55 173.24 3n04 s HIS 362 N -2.26 3.21 -0.68 2.71 3.76 0.32 -3.01 115.29 119.33 3n04 s HIS 362 Ca 0.14 0.17 -0.17 0.00 -0.15 0.00 0.00 55.06 55.06 3n04 s HIS 362 Cb -0.04 -1.73 0.15 0.00 1.11 0.00 0.00 32.58 32.06 3n04 s HIS 362 CO 0.05 0.52 0.70 1.21 -0.85 0.00 0.00 174.74 176.37 3n04 s ASN 363 N -1.51 6.40 -0.56 1.40 2.47 -1.26 -1.18 114.94 120.70 3n04 s ASN 363 Ca 0.20 -1.97 -0.16 0.00 0.42 0.00 0.00 52.86 51.36 3n04 s ASN 363 Cb -0.12 -2.26 0.14 0.00 -1.45 0.00 0.00 41.25 37.56 3n04 s ASN 363 CO 0.10 -0.88 0.51 -0.69 -3.72 0.00 0.00 177.10 172.43 3n04 s VAL 364 N 1.63 5.22 -1.62 -5.21 1.01 0.22 -3.90 120.40 117.76 3n04 s VAL 364 Ca 0.13 -1.57 -0.16 0.00 0.00 0.00 0.00 61.98 60.37 3n04 s VAL 364 Cb -0.20 -4.34 0.13 0.00 0.00 0.00 0.00 36.38 31.97 3n04 s VAL 364 CO -0.01 -0.88 0.87 0.59 0.00 0.00 0.00 175.10 175.68 3n04 n ASN 365 N 5.16 -4.05 0.00 3.32 3.02 -1.26 -0.85 115.26 120.60 3n04 n ASN 365 Ca -0.12 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 3n04 n ASN 365 Cb 0.40 -3.27 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 3n04 n ASN 365 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3n04 n GLY 366 N -1.51 1.96 3.66 7.41 0.00 -1.26 -5.05 105.19 110.40 3n04 n GLY 366 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3n04 n GLY 366 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3n04 s LYS 367 N -0.73 4.15 -0.16 1.61 2.20 -0.03 -5.06 119.74 121.73 3n04 s LYS 367 Ca 0.00 0.17 -0.29 0.00 -0.36 0.00 0.00 55.97 55.49 3n04 s LYS 367 Cb 0.00 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.76 3n04 s LYS 367 CO 0.00 -0.06 1.19 0.15 -0.36 0.00 0.00 175.35 176.27 3n04 s LYS 368 N 1.39 4.27 -0.13 4.03 1.02 -1.26 -0.61 119.74 128.46 3n04 s LYS 368 Ca 0.18 1.59 0.02 0.00 0.02 0.00 0.00 55.97 57.79 3n04 s LYS 368 Cb -0.15 -3.69 0.01 0.00 -0.52 0.00 0.00 37.83 33.48 3n04 s LYS 368 CO 0.08 -0.63 -0.20 0.42 -0.92 0.00 0.00 175.35 174.10 3n04 s ILE 369 N 3.15 1.89 0.29 2.17 -1.09 -0.32 -4.96 121.20 122.33 3n04 s ILE 369 Ca 0.52 -0.89 -0.30 0.00 -2.23 0.00 0.00 60.65 57.76 3n04 s ILE 369 Cb -0.21 -1.68 -0.11 0.00 -1.58 0.00 0.00 42.46 38.88 3n04 s ILE 369 CO 0.14 0.52 1.55 -0.60 -1.23 0.00 0.00 174.94 175.32 3n04 s ARG 370 N 0.81 4.15 0.23 2.79 3.52 -1.26 -0.52 118.95 128.67 3n04 s ARG 370 Ca -0.08 2.51 -0.06 0.00 -0.13 0.00 0.00 55.73 57.97 3n04 s ARG 370 Cb -0.16 -3.04 0.35 0.00 -1.56 0.00 0.00 34.95 30.55 3n04 s ARG 370 CO -0.01 -0.57 1.79 1.25 -0.81 0.00 0.00 175.30 176.95 3n04 h HIS 371 N 4.69 0.71 -0.19 5.12 -0.00 -1.11 -1.78 115.15 122.58 3n04 h HIS 371 Ca -0.47 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 59.97 3n04 h HIS 371 Cb 1.22 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 28.42 3n04 h HIS 371 CO 0.58 0.27 0.13 0.38 -0.00 0.00 0.00 177.93 179.30 3n04 h ASP 372 N 0.67 0.06 0.54 3.26 2.03 -1.55 0.14 116.42 121.56 3n04 h ASP 372 Ca 0.36 -0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.65 3n04 h ASP 372 Cb 0.36 -0.01 -0.00 0.00 -0.83 0.00 0.00 39.33 38.85 3n04 h ASP 372 CO -0.26 0.04 -0.05 0.11 -1.03 0.00 0.00 179.24 178.05 3n04 h LYS 373 N 0.07 0.00 0.00 4.15 6.56 -1.64 -3.19 116.57 122.53 3n04 h LYS 373 Ca 0.09 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.60 3n04 h LYS 373 Cb 0.27 0.00 -0.18 0.00 -0.57 0.00 0.00 32.23 31.75 3n04 h LYS 373 CO -0.01 0.05 -0.69 1.33 -2.06 0.00 0.00 179.45 178.07 3n04 n VAL 374 N -3.28 0.61 -0.26 0.50 0.24 0.16 -4.04 118.33 112.27 3n04 n VAL 374 Ca -0.01 -1.29 0.05 0.00 -2.04 0.00 0.00 64.34 61.04 3n04 n VAL 374 Cb 0.23 0.51 0.18 0.00 -1.47 0.00 0.00 33.84 33.29 3n04 n VAL 374 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 3n04 h HIS 375 N 0.64 0.57 0.00 6.34 6.17 -0.84 -1.21 115.15 126.82 3n04 h HIS 375 Ca -0.10 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.01 3n04 h HIS 375 Cb 1.51 -0.14 0.00 0.00 2.52 0.00 0.00 27.41 31.30 3n04 h HIS 375 CO 0.25 0.11 0.00 0.09 0.71 0.00 0.00 177.93 179.09 3n04 n ASN 376 N -4.96 0.00 -0.07 3.26 3.02 -0.74 -2.59 115.26 113.18 3n04 n ASN 376 Ca 0.14 -0.48 0.11 0.00 -0.03 0.00 0.00 54.58 54.33 3n04 n ASN 376 Cb 0.39 -0.07 0.14 0.00 -0.61 0.00 0.00 39.78 39.63 3n04 n ASN 376 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3n04 n LEU 377 N -1.07 0.84 0.13 3.41 4.77 -0.46 -4.36 117.00 120.27 3n04 n LEU 377 Ca 0.14 -0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 55.74 3n04 n LEU 377 Cb 0.09 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 40.96 3n04 n LEU 377 CO 0.12 0.19 0.62 0.15 -1.33 0.00 0.00 177.39 177.14 3n04 h PHE 378 N 0.36 -0.31 -0.37 -1.77 3.57 -1.64 -1.17 116.94 115.60 3n04 h PHE 378 Ca 0.00 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 3n04 h PHE 378 Cb 0.52 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 3n04 h PHE 378 CO 0.00 -0.01 -0.34 0.78 -2.23 0.00 0.00 178.31 176.51 3n04 h GLY 379 N -0.62 0.92 -0.11 2.40 0.00 -1.73 -2.35 103.07 101.59 3n04 h GLY 379 Ca -0.03 -0.90 0.10 0.00 0.00 0.00 0.00 47.33 46.50 3n04 h GLY 379 CO 0.06 0.81 -0.20 -1.82 0.00 0.00 0.00 176.54 175.39 3n04 h TYR 380 N 0.71 -0.49 0.00 5.60 3.20 -1.71 -2.17 116.97 122.11 3n04 h TYR 380 Ca 0.07 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3n04 h TYR 380 Cb 0.90 0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.46 3n04 h TYR 380 CO 0.05 -0.29 0.00 0.09 -1.64 0.00 0.00 178.16 176.38 3n04 n ASN 381 N -5.40 3.48 0.00 -2.11 3.02 -0.44 -1.03 115.26 112.78 3n04 n ASN 381 Ca 0.04 -1.89 0.00 0.00 -0.03 0.00 0.00 54.58 52.70 3n04 n ASN 381 Cb 0.31 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 3n04 n ASN 381 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3n04 n THR 383 N 1.44 0.00 -0.27 3.41 -1.04 -0.82 -1.23 114.28 115.78 3n04 n THR 383 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 3n04 n THR 383 Cb 0.36 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 68.96 3n04 n THR 383 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3n04 h ARG 384 N 0.00 0.86 -0.81 -2.82 2.43 -1.33 -0.52 114.38 112.18 3n04 h ARG 384 Ca 0.00 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3n04 h ARG 384 Cb 0.00 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.31 3n04 h ARG 384 CO 0.00 0.57 0.52 0.00 -1.51 0.00 0.00 179.97 179.55 3n04 h ALA 385 N 1.33 1.06 -0.16 2.80 0.00 -1.43 -0.35 119.26 122.50 3n04 h ALA 385 Ca 0.31 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3n04 h ALA 385 Cb 0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3n04 h ALA 385 CO -0.13 0.36 -0.08 0.00 0.00 0.00 0.00 179.25 179.39 3n04 h ALA 386 N 1.33 0.22 -0.21 0.00 0.00 -1.78 -2.44 119.26 116.39 3n04 h ALA 386 Ca 0.32 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3n04 h ALA 386 Cb -0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3n04 h ALA 386 CO -0.10 0.04 0.03 0.78 0.00 0.00 0.00 179.25 179.99 3n04 h GLY 387 N 0.01 0.22 1.31 0.00 0.00 -0.83 -0.45 103.07 103.32 3n04 h GLY 387 Ca 0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 3n04 h GLY 387 CO 0.02 -0.01 0.29 0.83 0.00 0.00 0.00 176.54 177.67 3n04 h GLU 388 N 0.11 0.90 -0.65 4.80 5.08 -1.15 -2.22 114.58 121.44 3n04 h GLU 388 Ca 0.09 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 3n04 h GLU 388 Cb 0.10 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3n04 h GLU 388 CO -0.14 0.70 0.11 0.00 -1.00 0.00 0.00 179.01 178.69 3n04 h ALA 389 N 1.43 0.87 -0.66 3.43 0.00 -0.90 -1.53 119.26 121.90 3n04 h ALA 389 Ca 0.22 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3n04 h ALA 389 Cb 0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3n04 h ALA 389 CO -0.03 0.63 0.41 0.74 0.00 0.00 0.00 179.25 181.01 3n04 h PHE 390 N 1.00 0.78 -0.89 0.00 0.04 -0.72 0.12 116.94 117.27 3n04 h PHE 390 Ca 0.20 0.02 0.05 0.00 2.80 0.00 0.00 57.97 61.04 3n04 h PHE 390 Cb 0.44 -0.25 -0.06 0.00 2.20 0.00 0.00 35.95 38.27 3n04 h PHE 390 CO 0.03 0.45 0.56 0.93 -0.60 0.00 0.00 178.31 179.68 3n04 h GLU 391 N 0.82 1.01 -0.33 1.51 5.08 -1.08 0.23 114.58 121.81 3n04 h GLU 391 Ca 0.26 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.43 3n04 h GLU 391 Cb 0.01 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3n04 h GLU 391 CO -0.10 0.67 -0.29 0.00 -1.00 0.00 0.00 179.01 178.28 3n04 h ARG 392 N 1.04 0.79 -0.03 2.33 3.08 -0.57 -3.06 114.38 117.96 3n04 h ARG 392 Ca 0.38 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3n04 h ARG 392 Cb 0.12 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 3n04 h ARG 392 CO -0.16 1.03 -0.01 0.82 -1.07 0.00 0.00 179.97 180.59 3n04 h ILE 393 N 0.56 1.31 -1.45 2.04 2.04 -0.45 -3.43 117.51 118.13 3n04 h ILE 393 Ca 0.06 -0.93 -0.26 0.00 1.00 0.00 0.00 64.86 64.72 3n04 h ILE 393 Cb 0.87 1.88 -0.24 0.00 -0.74 0.00 0.00 36.82 38.60 3n04 h ILE 393 CO 0.08 0.25 -0.62 -0.62 0.00 0.00 0.00 178.15 177.24 3n04 s ASP 394 N -5.64 -0.41 0.46 1.72 -1.08 0.04 -5.03 116.67 106.73 3n04 s ASP 394 Ca -0.15 -1.80 0.32 0.00 -0.52 0.00 0.00 52.55 50.39 3n04 s ASP 394 Cb 0.03 1.20 1.63 0.00 -1.46 0.00 0.00 42.92 44.32 3n04 s ASP 394 CO 0.68 -0.13 1.96 -0.65 0.52 0.00 0.00 175.17 177.55 3n04 h PRO 395 N 5.87 0.00 -0.01 4.34 0.11 -1.67 -2.12 132.00 138.52 3n04 h PRO 395 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3n04 h PRO 395 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3n04 h PRO 395 CO 0.13 0.00 -0.43 0.39 -0.21 0.00 0.00 178.00 177.89 3n04 n GLU 396 N -2.64 1.17 -4.08 1.05 -0.58 -1.26 -4.93 120.64 109.36 3n04 n GLU 396 Ca -0.01 -0.93 -0.35 0.00 -0.42 0.00 0.00 57.16 55.45 3n04 n GLU 396 Cb 0.10 -1.48 -0.09 0.00 -0.57 0.00 0.00 31.44 29.40 3n04 n GLU 396 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3n04 s LYS 397 N -2.47 3.66 0.05 3.49 2.20 -0.80 -2.65 119.74 123.22 3n04 s LYS 397 Ca 0.20 -0.33 -0.28 0.00 -0.36 0.00 0.00 55.97 55.20 3n04 s LYS 397 Cb 0.18 -3.11 -0.05 0.00 -1.51 0.00 0.00 37.83 33.35 3n04 s LYS 397 CO 0.56 0.45 0.88 1.03 -0.36 0.00 0.00 175.35 177.91 3n04 s ARG 398 N -0.13 4.58 0.05 4.03 0.52 -0.95 -4.94 118.95 122.11 3n04 s ARG 398 Ca 0.07 1.27 0.06 0.00 -0.52 0.00 0.00 55.73 56.61 3n04 s ARG 398 Cb -0.12 -3.40 -0.03 0.00 0.52 0.00 0.00 34.95 31.91 3n04 s ARG 398 CO 0.01 0.16 -0.14 -0.06 0.02 0.00 0.00 175.30 175.29 3n04 s PHE 399 N 0.31 2.67 0.84 -0.53 0.08 -1.26 -4.62 117.98 115.46 3n04 s PHE 399 Ca 0.45 -0.19 -0.11 0.00 0.12 0.00 0.00 56.93 57.20 3n04 s PHE 399 Cb -0.21 -1.48 0.10 0.00 -0.57 0.00 0.00 43.02 40.86 3n04 s PHE 399 CO 0.26 0.33 1.09 -1.17 -0.10 0.00 0.00 175.22 175.63 3n04 s LEU 400 N -1.67 2.51 0.00 -0.37 2.96 -0.73 -4.57 118.68 116.82 3n04 s LEU 400 Ca 0.17 1.52 0.00 0.00 -0.22 0.00 0.00 54.13 55.60 3n04 s LEU 400 Cb -0.11 -4.05 0.00 0.00 0.50 0.00 0.00 46.19 42.53 3n04 s LEU 400 CO 0.08 -2.33 0.00 2.22 -1.32 0.00 0.00 176.35 175.00 3n04 n PHE 402 N -3.69 0.00 -4.28 5.38 -1.74 -1.17 -0.84 117.46 111.12 3n04 n PHE 402 Ca 0.07 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.81 3n04 n PHE 402 Cb 0.55 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.45 3n04 n PHE 402 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 3n04 s SER 403 N 0.00 1.97 -0.10 5.98 0.15 -0.38 -1.30 113.70 120.02 3n04 s SER 403 Ca 0.00 -1.05 -0.03 0.00 0.70 0.00 0.00 55.95 55.57 3n04 s SER 403 Cb 0.00 -0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.26 3n04 s SER 403 CO 0.00 -0.33 -0.06 -0.09 1.20 0.00 0.00 173.24 173.96 3n04 h ARG 404 N 2.68 0.00 -6.80 5.44 2.43 -1.74 -0.53 114.38 115.86 3n04 h ARG 404 Ca -0.37 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.32 3n04 h ARG 404 Cb 1.20 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 3n04 h ARG 404 CO 0.63 0.00 0.19 0.45 -1.51 0.00 0.00 179.97 179.73 3n04 s SER 405 N -5.28 6.93 0.28 -3.80 0.15 -1.26 -4.61 113.70 106.12 3n04 s SER 405 Ca -0.05 1.47 -0.21 0.00 0.70 0.00 0.00 55.95 57.87 3n04 s SER 405 Cb 0.01 -2.45 0.03 0.00 -1.71 0.00 0.00 66.02 61.90 3n04 s SER 405 CO 0.08 -0.18 0.74 -0.94 1.20 0.00 0.00 173.24 174.13 3n04 s SER 406 N -2.06 -0.23 0.06 5.45 1.04 -1.19 -4.15 113.70 112.62 3n04 s SER 406 Ca 0.54 -0.65 -0.13 0.00 0.48 0.00 0.00 55.95 56.19 3n04 s SER 406 Cb -0.12 0.73 0.02 0.00 0.10 0.00 0.00 66.02 66.74 3n04 s SER 406 CO 0.18 -1.36 0.28 -0.47 0.98 0.00 0.00 173.24 172.85 3n04 s TYR 407 N -3.72 -0.05 0.21 5.02 5.04 -1.26 -1.33 117.35 121.27 3n04 s TYR 407 Ca 0.12 -0.15 -0.31 0.00 -2.44 0.00 0.00 57.07 54.28 3n04 s TYR 407 Cb -0.06 0.07 -0.11 0.00 0.35 0.00 0.00 41.96 42.22 3n04 s TYR 407 CO 0.07 -0.52 1.59 0.42 -1.34 0.00 0.00 175.55 175.77 3n04 s ILE 408 N -2.85 2.37 0.00 3.14 1.01 -1.25 -4.32 121.20 119.30 3n04 s ILE 408 Ca -0.03 0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.90 3n04 s ILE 408 Cb 0.00 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.29 3n04 s ILE 408 CO -0.05 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.53 3n04 n GLY 409 N 3.23 1.99 4.48 6.18 0.00 -1.26 -4.24 105.19 115.58 3n04 n GLY 409 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3n04 n GLY 409 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3n04 n HIS 411 N -0.06 0.00 0.38 1.61 -0.00 -1.26 -4.47 115.22 111.42 3n04 n HIS 411 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.85 3n04 n HIS 411 Cb 0.00 -0.43 0.29 0.00 -0.00 0.00 0.00 29.99 29.85 3n04 n HIS 411 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3n04 h ARG 412 N 0.00 0.00 0.00 -1.40 3.08 -1.89 0.30 114.38 114.47 3n04 h ARG 412 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3n04 h ARG 412 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3n04 h ARG 412 CO 0.00 0.00 -1.47 0.66 -1.07 0.00 0.00 179.97 178.09 3n04 n TYR 413 N -2.76 0.00 -3.80 3.04 4.01 -1.26 -3.75 117.16 112.64 3n04 n TYR 413 Ca 0.04 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.74 3n04 n TYR 413 Cb 0.48 -0.31 -0.01 0.00 -0.31 0.00 0.00 39.34 39.19 3n04 n TYR 413 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3n04 s GLY 414 N -3.60 -0.09 0.02 2.72 0.00 -1.26 -4.75 107.32 100.35 3n04 s GLY 414 Ca -0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 44.72 44.58 3n04 s GLY 414 CO 0.31 0.36 0.02 0.61 0.00 0.00 0.00 173.10 174.41 3n04 n GLY 415 N -0.51 0.33 3.08 0.20 0.00 -1.26 -4.49 105.19 102.54 3n04 n GLY 415 Ca -0.05 -1.89 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 3n04 n GLY 415 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n04 s ILE 416 N -0.11 1.52 0.71 -0.61 -1.09 -0.29 -1.25 121.20 120.07 3n04 s ILE 416 Ca 0.02 -0.68 -0.12 0.00 -2.23 0.00 0.00 60.65 57.63 3n04 s ILE 416 Cb -0.00 -1.36 0.16 0.00 -1.58 0.00 0.00 42.46 39.68 3n04 s ILE 416 CO 0.01 0.44 0.97 1.87 -1.23 0.00 0.00 174.94 177.00 3n04 n TRP 417 N 3.93 -4.00 -3.76 3.97 -0.00 -0.21 -3.08 117.44 114.30 3n04 n TRP 417 Ca -0.20 -0.85 -0.23 0.00 -0.00 0.00 0.00 57.50 56.21 3n04 n TRP 417 Cb 0.52 -0.75 -0.03 0.00 -0.00 0.00 0.00 31.31 31.05 3n04 n TRP 417 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 3n04 s GLY 419 N -5.10 2.24 -0.37 5.87 0.00 -1.26 -4.71 107.32 103.99 3n04 s GLY 419 Ca 0.55 -1.72 -0.12 0.00 0.00 0.00 0.00 44.72 43.43 3n04 s GLY 419 CO 0.38 -1.82 0.23 -0.35 0.00 0.00 0.00 173.10 171.54 3n04 s ASP 420 N -4.16 5.86 0.00 1.64 -1.08 -1.26 -1.61 116.67 116.06 3n04 s ASP 420 Ca 0.42 -0.84 0.08 0.00 -0.52 0.00 0.00 52.55 51.70 3n04 s ASP 420 Cb -0.02 -2.07 0.36 0.00 -1.46 0.00 0.00 42.92 39.73 3n04 s ASP 420 CO 0.25 -0.36 1.24 0.59 0.52 0.00 0.00 175.17 177.41 3n04 n ASN 421 N 5.06 0.00 0.00 -0.34 4.13 0.11 -4.91 115.26 119.30 3n04 n ASN 421 Ca -0.12 0.44 0.00 0.00 1.68 0.00 0.00 54.58 56.58 3n04 n ASN 421 Cb 0.47 -0.46 0.00 0.00 -1.54 0.00 0.00 39.78 38.25 3n04 n ASN 421 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3n04 n LYS 422 N -1.46 0.00 -1.64 3.52 5.02 -1.26 -0.64 118.16 121.70 3n04 n LYS 422 Ca 0.02 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.17 3n04 n LYS 422 Cb 0.09 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.17 3n04 n LYS 422 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3n04 n SER 423 N 4.65 3.90 -4.54 4.39 7.64 -1.26 -1.59 113.62 126.81 3n04 n SER 423 Ca 0.00 -3.73 -0.41 0.00 1.01 0.00 0.00 58.87 55.74 3n04 n SER 423 Cb 0.00 -0.40 -0.08 0.00 -1.01 0.00 0.00 64.21 62.72 3n04 n SER 423 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3n04 s TRP 424 N -3.47 3.18 0.34 1.43 0.51 0.18 -4.83 118.94 116.30 3n04 s TRP 424 Ca 0.47 0.04 0.08 0.00 -2.12 0.00 0.00 56.10 54.56 3n04 s TRP 424 Cb 0.40 -2.85 0.77 0.00 -0.81 0.00 0.00 33.47 30.98 3n04 s TRP 424 CO 0.00 -0.53 1.86 -1.49 -0.51 0.00 0.00 176.95 176.28 3n04 h TRP 425 N 8.51 0.88 0.00 -1.98 4.06 -1.94 -1.96 115.95 123.51 3n04 h TRP 425 Ca -0.28 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.69 3n04 h TRP 425 Cb 1.13 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 29.01 3n04 h TRP 425 CO 0.70 0.32 0.00 0.66 -3.56 0.00 0.00 178.44 176.56 3n04 h SER 426 N 0.74 0.00 1.10 -3.49 4.64 -1.92 -2.90 113.55 111.73 3n04 h SER 426 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3n04 h SER 426 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3n04 h SER 426 CO -0.22 0.00 -0.48 0.45 -0.87 0.00 0.00 176.83 175.71 3n04 h HIS 427 N 0.00 0.00 -0.07 4.77 3.86 -1.69 -3.04 115.15 118.98 3n04 h HIS 427 Ca 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3n04 h HIS 427 Cb 0.01 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 3n04 h HIS 427 CO 0.00 0.00 0.00 0.82 0.86 0.00 0.00 177.93 179.61 3n04 h ILE 428 N 0.00 0.95 -0.66 2.45 2.04 -1.67 0.42 117.51 121.06 3n04 h ILE 428 Ca 0.00 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 3n04 h ILE 428 Cb 0.79 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 3n04 h ILE 428 CO 0.00 0.01 0.09 0.25 0.00 0.00 0.00 178.15 178.49 3n04 h LEU 429 N 0.03 1.06 -0.73 1.44 5.85 -1.76 -1.95 115.31 119.24 3n04 h LEU 429 Ca 0.03 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.50 3n04 h LEU 429 Cb 0.04 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3n04 h LEU 429 CO -0.05 1.05 0.48 -0.07 -0.34 0.00 0.00 178.44 179.51 3n04 h LEU 430 N 1.02 0.85 -0.04 2.25 3.38 -1.38 -1.78 115.31 119.60 3n04 h LEU 430 Ca 0.20 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.16 3n04 h LEU 430 Cb 0.46 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3n04 h LEU 430 CO 0.02 0.62 -0.07 0.78 0.09 0.00 0.00 178.44 179.88 3n04 h ASN 431 N 1.00 -0.20 -0.31 -0.43 -0.26 -0.70 -3.06 115.58 111.62 3n04 h ASN 431 Ca 0.27 0.04 0.07 0.00 -0.56 0.00 0.00 56.30 56.11 3n04 h ASN 431 Cb -0.11 0.10 -0.08 0.00 -1.06 0.00 0.00 38.32 37.17 3n04 h ASN 431 CO -0.06 -0.10 -0.31 0.25 -1.06 0.00 0.00 177.43 176.15 3n04 h LEU 432 N -0.10 -1.02 -1.70 1.61 7.12 -1.08 -2.74 115.31 117.39 3n04 h LEU 432 Ca 0.04 0.17 0.00 0.00 0.13 0.00 0.00 57.88 58.22 3n04 h LEU 432 Cb 0.16 0.47 0.00 0.00 -0.53 0.00 0.00 40.66 40.76 3n04 h LEU 432 CO -0.10 -0.33 0.00 0.29 -0.13 0.00 0.00 178.44 178.18 3n04 n LYS 433 N -5.41 0.00 0.00 1.25 5.02 -0.69 -4.32 118.16 114.00 3n04 n LYS 433 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3n04 n LYS 433 Cb 0.33 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 3n04 n LYS 433 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3n04 n LEU 435 N 0.80 0.00 -0.04 -0.35 4.77 -1.04 -4.30 117.00 116.84 3n04 n LEU 435 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 3n04 n LEU 435 Cb 0.00 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.34 3n04 n LEU 435 CO 0.00 0.00 0.91 1.55 -1.33 0.00 0.00 177.39 178.52 3n04 h PRO 436 N 0.00 0.61 -0.58 3.23 0.13 -1.82 -2.05 132.00 131.53 3n04 h PRO 436 Ca 0.00 -0.14 -0.04 0.00 -0.87 0.00 0.00 66.00 64.94 3n04 h PRO 436 Cb 0.00 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.02 3n04 h PRO 436 CO 0.00 0.64 0.20 0.77 -0.23 0.00 0.00 178.00 179.38 3n04 h SER 437 N 0.58 0.83 -0.67 1.44 0.02 -1.87 -1.55 113.55 112.33 3n04 h SER 437 Ca 0.12 -0.20 0.06 0.00 -0.84 0.00 0.00 61.79 60.93 3n04 h SER 437 Cb 0.38 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.65 3n04 h SER 437 CO 0.01 0.80 0.37 -0.07 -1.14 0.00 0.00 176.83 176.81 3n04 h LEU 438 N 0.81 0.56 -3.49 5.07 3.38 -1.70 -3.11 115.31 116.83 3n04 h LEU 438 Ca 0.19 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3n04 h LEU 438 Cb 0.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3n04 h LEU 438 CO -0.01 0.36 0.00 0.59 0.09 0.00 0.00 178.44 179.47 3n04 n ASN 439 N -4.78 0.00 0.00 -0.43 5.03 -0.58 -1.78 115.26 112.72 3n04 n ASN 439 Ca 0.08 -0.72 0.00 0.00 0.87 0.00 0.00 54.58 54.81 3n04 n ASN 439 Cb 0.17 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.93 3n04 n ASN 439 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3n04 n GLY 442 N 0.00 0.19 3.87 0.00 0.00 -1.10 -4.79 105.19 103.36 3n04 n GLY 442 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3n04 n GLY 442 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n04 s PHE 443 N -2.00 3.61 0.00 1.61 0.08 -0.73 -4.68 117.98 115.86 3n04 s PHE 443 Ca 0.00 0.70 0.00 0.00 0.12 0.00 0.00 56.93 57.75 3n04 s PHE 443 Cb 0.00 -2.09 0.00 0.00 -0.57 0.00 0.00 43.02 40.36 3n04 s PHE 443 CO 0.00 0.60 0.00 0.98 -0.10 0.00 0.00 175.22 176.70 3n04 n TYR 445 N 1.26 0.00 -3.99 0.36 9.36 -1.26 -3.05 117.16 119.84 3n04 n TYR 445 Ca -0.12 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.03 3n04 n TYR 445 Cb 0.53 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.15 3n04 n TYR 445 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 3n04 s THR 446 N 0.00 0.19 0.00 2.97 -4.23 -1.26 -1.14 115.64 112.16 3n04 s THR 446 Ca 0.00 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 3n04 s THR 446 Cb 0.00 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.39 3n04 s THR 446 CO 0.00 -0.85 0.00 0.61 -0.54 0.00 0.00 174.62 173.84 3n04 n GLY 447 N 0.04 0.68 3.51 3.99 0.00 -1.18 -2.20 105.19 110.03 3n04 n GLY 447 Ca -0.14 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 3n04 n GLY 447 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n04 s ALA 448 N -2.00 2.86 0.01 4.61 0.00 -1.26 -4.44 121.76 121.53 3n04 s ALA 448 Ca 0.00 -2.01 -0.04 0.00 0.00 0.00 0.00 51.96 49.91 3n04 s ALA 448 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 3n04 s ALA 448 CO 0.00 0.15 0.24 -0.51 0.00 0.00 0.00 175.76 175.63 3n04 s ASP 449 N -3.57 6.43 -1.03 0.00 1.01 -0.63 -4.70 116.67 114.19 3n04 s ASP 449 Ca 0.31 0.46 -0.06 0.00 0.71 0.00 0.00 52.55 53.97 3n04 s ASP 449 Cb -0.00 -2.05 0.25 0.00 1.01 0.00 0.00 42.92 42.14 3n04 s ASP 449 CO 0.16 0.24 0.98 -0.22 0.21 0.00 0.00 175.17 176.53 3n04 s LEU 450 N -1.93 6.00 0.56 1.23 2.96 -1.26 0.07 118.68 126.31 3n04 s LEU 450 Ca 0.29 -3.68 0.34 0.00 -0.22 0.00 0.00 54.13 50.86 3n04 s LEU 450 Cb -0.13 -2.08 1.53 0.00 0.50 0.00 0.00 46.19 46.01 3n04 s LEU 450 CO 0.18 -0.24 2.05 1.23 -1.32 0.00 0.00 176.35 178.26 3n04 h GLY 451 N 6.36 0.00 0.00 7.98 0.00 -1.69 -3.42 103.07 112.30 3n04 h GLY 451 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3n04 h GLY 451 CO 0.95 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.10 3n04 n GLY 452 N -0.25 -0.96 3.06 4.60 0.00 -0.62 -0.28 105.19 110.74 3n04 n GLY 452 Ca -0.00 -1.65 -0.02 0.00 0.00 0.00 0.00 46.02 44.35 3n04 n GLY 452 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3n04 s PHE 453 N -2.08 -1.24 0.00 1.61 5.36 -1.26 -2.90 117.98 117.48 3n04 s PHE 453 Ca 0.00 1.33 0.00 0.00 -0.96 0.00 0.00 56.93 57.30 3n04 s PHE 453 Cb 0.00 0.32 0.00 0.00 -0.34 0.00 0.00 43.02 43.00 3n04 s PHE 453 CO 0.00 -0.80 0.00 0.41 -1.46 0.00 0.00 175.22 173.37 3n04 n GLY 454 N 5.40 3.11 1.82 13.12 0.00 -1.23 -0.80 105.19 126.62 3n04 n GLY 454 Ca -0.03 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.09 3n04 n GLY 454 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3n04 n ASP 455 N 3.50 5.51 0.26 1.61 8.00 -1.26 0.12 116.55 134.29 3n04 n ASP 455 Ca 0.00 -2.81 0.16 0.00 0.71 0.00 0.00 54.79 52.86 3n04 n ASP 455 Cb 0.00 -0.66 0.60 0.00 -0.02 0.00 0.00 41.12 41.04 3n04 n ASP 455 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3n04 h ASP 456 N 4.05 0.00 -2.68 -2.24 3.32 -1.37 -3.41 116.42 114.09 3n04 h ASP 456 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3n04 h ASP 456 Cb 1.85 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.34 3n04 h ASP 456 CO 0.42 0.00 1.12 -0.89 -1.72 0.00 0.00 179.24 178.17 3n04 s THR 457 N -3.58 3.74 0.51 0.35 2.01 -1.26 -4.97 115.64 112.44 3n04 s THR 457 Ca 0.02 0.59 -0.05 0.00 0.31 0.00 0.00 61.69 62.56 3n04 s THR 457 Cb 0.08 -4.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.12 3n04 s THR 457 CO 0.56 -1.24 0.81 0.42 -0.69 0.00 0.00 174.62 174.48 3n04 s THR 458 N 6.29 4.43 0.25 -0.82 -4.23 -1.26 -4.94 115.64 115.36 3n04 s THR 458 Ca 0.51 0.06 -0.06 0.00 -1.18 0.00 0.00 61.69 61.02 3n04 s THR 458 Cb -0.11 -3.70 0.29 0.00 1.34 0.00 0.00 72.50 70.32 3n04 s THR 458 CO 0.23 -0.68 1.63 -0.09 -0.54 0.00 0.00 174.62 175.18 3n04 h ARG 459 N 0.12 0.10 -0.12 3.99 2.43 -1.98 -2.34 114.38 116.59 3n04 h ARG 459 Ca -0.46 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.54 3n04 h ARG 459 Cb 1.23 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 3n04 h ARG 459 CO 0.61 0.07 -0.61 0.38 -1.51 0.00 0.00 179.97 178.91 3n04 h ASP 460 N 0.10 0.45 -0.13 -3.80 2.03 -1.99 -1.99 116.42 111.10 3n04 h ASP 460 Ca 0.43 -0.26 -0.00 0.00 -0.73 0.00 0.00 57.03 56.46 3n04 h ASP 460 Cb 0.76 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 39.12 3n04 h ASP 460 CO -0.68 0.95 0.07 0.25 -1.03 0.00 0.00 179.24 178.80 3n04 h LEU 461 N 0.30 0.16 -0.45 0.15 5.85 -1.82 -1.71 115.31 117.79 3n04 h LEU 461 Ca -0.01 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3n04 h LEU 461 Cb 1.14 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 3n04 h LEU 461 CO 0.10 0.19 0.26 0.25 -0.34 0.00 0.00 178.44 178.90 3n04 h LEU 462 N 0.11 0.41 -0.28 2.25 5.85 -1.34 -0.63 115.31 121.69 3n04 h LEU 462 Ca 0.05 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.82 3n04 h LEU 462 Cb 0.07 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 3n04 h LEU 462 CO -0.01 0.29 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.31 3n04 h LEU 463 N 0.52 -0.13 -0.84 2.25 4.07 -1.25 -0.71 115.31 119.22 3n04 h LEU 463 Ca 0.18 0.07 -0.07 0.00 0.08 0.00 0.00 57.88 58.13 3n04 h LEU 463 Cb 0.03 0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 3n04 h LEU 463 CO -0.09 -0.03 0.07 0.03 -1.08 0.00 0.00 178.44 177.34 3n04 h ARG 464 N 0.08 0.94 -0.58 1.13 2.47 -1.04 -1.98 114.38 115.41 3n04 h ARG 464 Ca 0.14 -0.24 -0.07 0.00 -1.26 0.00 0.00 59.98 58.54 3n04 h ARG 464 Cb 0.18 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 3n04 h ARG 464 CO -0.23 0.88 0.07 0.35 0.56 0.00 0.00 179.97 181.60 3n04 h PHE 465 N 0.88 1.04 -0.26 3.04 3.57 -0.79 -2.99 116.94 121.43 3n04 h PHE 465 Ca 0.18 -0.15 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 3n04 h PHE 465 Cb 0.42 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3n04 h PHE 465 CO 0.03 0.91 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.62 3n04 h LEU 466 N 0.86 0.57 -1.48 0.59 3.38 -0.98 -1.54 115.31 116.71 3n04 h LEU 466 Ca 0.17 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3n04 h LEU 466 Cb 0.45 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3n04 h LEU 466 CO 0.02 0.86 -0.23 0.00 0.09 0.00 0.00 178.44 179.17 3n04 h ALA 467 N 1.18 1.23 -0.08 1.53 0.00 -1.28 0.92 119.26 122.76 3n04 h ALA 467 Ca 0.05 -0.21 -0.22 0.00 0.00 0.00 0.00 54.91 54.53 3n04 h ALA 467 Cb 0.80 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.56 3n04 h ALA 467 CO 0.06 0.29 -0.83 1.25 0.00 0.00 0.00 179.25 180.03 3n04 h LEU 468 N 0.00 0.86 -2.20 0.00 5.85 -1.37 -3.33 115.31 115.13 3n04 h LEU 468 Ca -0.00 -0.68 0.05 0.00 0.84 0.00 0.00 57.88 58.08 3n04 h LEU 468 Cb 0.56 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3n04 h LEU 468 CO 0.03 1.42 0.17 1.23 -0.34 0.00 0.00 178.44 180.94 3n04 h GLY 469 N 0.38 0.00 0.16 3.75 0.00 -0.10 -1.06 103.07 106.19 3n04 h GLY 469 Ca -0.08 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.46 3n04 h GLY 469 CO 0.17 0.00 0.62 -2.08 0.00 0.00 0.00 176.54 175.25 3n04 h VAL 470 N 0.00 0.66 0.00 4.60 2.07 -0.99 -2.18 116.25 120.40 3n04 h VAL 470 Ca 0.08 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3n04 h VAL 470 Cb 0.41 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3n04 h VAL 470 CO -0.00 0.09 -1.37 0.49 0.02 0.00 0.00 177.57 176.80 3n04 n PHE 471 N -4.61 0.17 -3.16 1.57 3.72 -0.41 -4.81 117.46 109.94 3n04 n PHE 471 Ca 0.22 0.05 -0.39 0.00 -0.05 0.00 0.00 57.45 57.28 3n04 n PHE 471 Cb 0.70 -0.41 -0.05 0.00 -0.94 0.00 0.00 39.48 38.78 3n04 n PHE 471 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3n04 s THR 472 N -3.29 5.09 0.26 4.37 -4.23 -0.82 -4.95 115.64 112.06 3n04 s THR 472 Ca 0.00 1.24 -0.02 0.00 -1.18 0.00 0.00 61.69 61.73 3n04 s THR 472 Cb 0.14 -3.95 0.24 0.00 1.34 0.00 0.00 72.50 70.27 3n04 s THR 472 CO 0.85 0.30 1.80 -0.65 -0.54 0.00 0.00 174.62 176.38 3n04 h PRO 473 N 6.63 0.76 -7.01 3.99 0.11 -1.84 -3.48 132.00 131.16 3n04 h PRO 473 Ca -0.41 -0.05 -0.48 0.00 0.11 0.00 0.00 66.00 65.17 3n04 h PRO 473 Cb 1.19 -0.17 0.04 0.00 0.11 0.00 0.00 31.00 32.17 3n04 h PRO 473 CO 0.75 0.50 0.14 -1.17 -0.21 0.00 0.00 178.00 178.01 3n04 s LEU 474 N -10.29 3.46 0.00 2.35 2.96 -0.93 -4.54 118.68 111.70 3n04 s LEU 474 Ca -0.12 0.84 0.00 0.00 -0.22 0.00 0.00 54.13 54.63 3n04 s LEU 474 Cb 0.21 -3.74 0.00 0.00 0.50 0.00 0.00 46.19 43.15 3n04 s LEU 474 CO 0.79 -0.78 0.00 -2.11 -1.32 0.00 0.00 176.35 172.93 3n04 n ARG 476 N -2.39 0.00 -3.71 1.98 1.85 -1.26 -4.20 116.66 108.93 3n04 n ARG 476 Ca 0.02 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.49 3n04 n ARG 476 Cb 0.56 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.86 3n04 n ARG 476 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3n04 s ASP 477 N 0.00 5.39 -0.28 2.89 -1.08 -0.22 -4.61 116.67 118.76 3n04 s ASP 477 Ca 0.00 -1.64 -0.02 0.00 -0.52 0.00 0.00 52.55 50.37 3n04 s ASP 477 Cb 0.00 -1.89 0.09 0.00 -1.46 0.00 0.00 42.92 39.66 3n04 s ASP 477 CO 0.00 -0.50 0.09 -2.28 0.52 0.00 0.00 175.17 173.01 3n04 s HIS 478 N 1.30 1.18 0.30 -5.34 2.46 -1.26 -0.96 115.29 112.97 3n04 s HIS 478 Ca 0.03 -1.30 -0.29 0.00 0.47 0.00 0.00 55.06 53.97 3n04 s HIS 478 Cb -0.22 -1.34 -0.10 0.00 -0.13 0.00 0.00 32.58 30.79 3n04 s HIS 478 CO -0.01 -0.80 1.19 0.00 -2.47 0.00 0.00 174.74 172.66 3n04 s ALA 479 N 1.80 3.45 0.00 1.58 0.00 -1.15 -4.01 121.76 123.42 3n04 s ALA 479 Ca 0.07 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.08 3n04 s ALA 479 Cb -0.17 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3n04 s ALA 479 CO -0.24 -0.37 0.00 0.00 0.00 0.00 0.00 175.76 175.15 3n04 n ALA 480 N 1.09 1.51 0.23 0.00 0.00 0.61 -1.03 120.51 122.93 3n04 n ALA 480 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3n04 n ALA 480 Cb 0.43 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.02 3n04 n ALA 480 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3n04 h GLU 481 N 0.00 0.00 -6.75 0.00 5.08 -1.69 -3.45 114.58 107.77 3n04 h GLU 481 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3n04 h GLU 481 Cb 0.00 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.34 3n04 h GLU 481 CO 0.00 0.00 0.79 0.41 -1.00 0.00 0.00 179.01 179.21 3n04 n GLY 482 N 1.14 1.15 0.01 -3.84 0.00 -0.86 -3.52 105.19 99.27 3n04 n GLY 482 Ca 0.03 0.45 0.07 0.00 0.00 0.00 0.00 46.02 46.57 3n04 n GLY 482 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3n04 n THR 483 N 1.85 0.00 -2.07 2.61 -2.24 0.12 -4.84 114.28 109.70 3n04 n THR 483 Ca 0.08 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 3n04 n THR 483 Cb 0.36 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.89 3n04 n THR 483 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3n04 s ARG 484 N -2.80 4.29 0.02 -0.78 3.52 -1.13 -4.94 118.95 117.12 3n04 s ARG 484 Ca -0.03 2.20 -0.35 0.00 -0.13 0.00 0.00 55.73 57.42 3n04 s ARG 484 Cb 0.09 -3.18 -0.14 0.00 -1.56 0.00 0.00 34.95 30.15 3n04 s ARG 484 CO 0.55 -0.46 1.65 0.39 -0.81 0.00 0.00 175.30 176.61 3n04 n GLU 485 N 3.46 1.85 0.00 5.12 -0.58 -1.26 -4.89 120.64 124.34 3n04 n GLU 485 Ca 0.11 0.67 0.00 0.00 -0.42 0.00 0.00 57.16 57.52 3n04 n GLU 485 Cb 0.41 -2.43 0.00 0.00 -0.57 0.00 0.00 31.44 28.85 3n04 n GLU 485 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3n04 n GLN 486 N 4.47 1.40 -1.59 3.49 10.64 -1.26 -4.87 117.38 129.65 3n04 n GLN 486 Ca 0.20 -1.04 -0.37 0.00 -1.83 0.00 0.00 57.00 53.96 3n04 n GLN 486 Cb 0.25 -0.92 0.06 0.00 -0.86 0.00 0.00 30.24 28.77 3n04 n GLN 486 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3n04 n GLU 487 N -0.28 0.84 0.06 2.61 4.71 -1.26 -4.88 120.64 122.45 3n04 n GLU 487 Ca 0.00 0.34 0.07 0.00 -0.01 0.00 0.00 57.16 57.55 3n04 n GLU 487 Cb 0.20 -2.24 0.31 0.00 -1.01 0.00 0.00 31.44 28.70 3n04 n GLU 487 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3n04 n TYR 489 N -1.83 0.79 0.69 0.00 4.11 -1.26 -4.40 117.16 115.27 3n04 n TYR 489 Ca 0.01 -0.40 0.10 0.00 -0.00 0.00 0.00 57.90 57.61 3n04 n TYR 489 Cb 0.09 0.00 0.11 0.00 -0.00 0.00 0.00 39.34 39.54 3n04 n TYR 489 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 3n04 n GLN 490 N 1.45 1.90 -4.31 -3.48 1.13 -0.57 -4.99 117.38 108.51 3n04 n GLN 490 Ca 0.22 -1.79 -0.24 0.00 -1.94 0.00 0.00 57.00 53.25 3n04 n GLN 490 Cb 0.57 -1.40 -0.08 0.00 0.11 0.00 0.00 30.24 29.45 3n04 n GLN 490 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3n04 s PHE 491 N -1.59 2.58 0.56 1.08 0.08 -1.26 -4.98 117.98 114.45 3n04 s PHE 491 Ca 0.26 -0.35 -0.20 0.00 0.12 0.00 0.00 56.93 56.76 3n04 s PHE 491 Cb 0.17 -1.34 -0.05 0.00 -0.57 0.00 0.00 43.02 41.23 3n04 s PHE 491 CO 0.25 0.54 1.19 -1.83 -0.10 0.00 0.00 175.22 175.27 3n04 s GLU 492 N -3.69 3.21 -1.18 0.44 -1.05 -1.26 -3.77 118.70 111.39 3n04 s GLU 492 Ca 0.33 1.79 -0.12 0.00 -0.15 0.00 0.00 54.97 56.82 3n04 s GLU 492 Cb -0.03 -2.04 -0.02 0.00 -0.44 0.00 0.00 34.13 31.60 3n04 s GLU 492 CO 0.19 -1.01 0.76 0.09 0.95 0.00 0.00 175.26 176.25 3n04 n ASN 493 N -1.30 -4.18 -0.57 0.83 4.13 -1.26 -4.88 115.26 108.02 3n04 n ASN 493 Ca 0.12 -0.92 0.46 0.00 1.68 0.00 0.00 54.58 55.91 3n04 n ASN 493 Cb 0.49 -3.79 0.74 0.00 -1.54 0.00 0.00 39.78 35.69 3n04 n ASN 493 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 3n04 h ILE 494 N -1.75 0.01 -0.44 2.41 2.10 -1.87 -1.70 117.51 116.27 3n04 h ILE 494 Ca -0.64 -0.00 0.11 0.00 1.08 0.00 0.00 64.86 65.41 3n04 h ILE 494 Cb 1.35 0.01 -0.02 0.00 -1.09 0.00 0.00 36.82 37.07 3n04 h ILE 494 CO 0.51 0.00 0.31 1.05 -1.08 0.00 0.00 178.15 178.93 3n04 h GLU 495 N 0.01 0.08 -0.38 2.19 9.09 -1.93 -1.16 114.58 122.47 3n04 h GLU 495 Ca 0.91 -0.00 -0.10 0.00 0.05 0.00 0.00 59.36 60.21 3n04 h GLU 495 Cb 3.24 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 30.30 3n04 h GLU 495 CO -0.27 0.05 -0.19 -0.44 0.05 0.00 0.00 179.01 178.22 3n04 h ASP 496 N 0.08 0.72 -0.31 3.06 3.32 -1.66 -0.28 116.42 121.36 3n04 h ASP 496 Ca 0.21 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 56.89 3n04 h ASP 496 Cb 0.71 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3n04 h ASP 496 CO -0.02 0.91 -0.29 -0.26 -1.72 0.00 0.00 179.24 177.86 3n04 h PHE 497 N 0.64 0.88 -0.64 4.55 0.04 -1.40 -2.30 116.94 118.70 3n04 h PHE 497 Ca 0.10 -0.26 0.01 0.00 2.80 0.00 0.00 57.97 60.62 3n04 h PHE 497 Cb 0.67 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 3n04 h PHE 497 CO 0.03 1.02 0.42 -0.09 -0.60 0.00 0.00 178.31 179.09 3n04 h ARG 498 N 0.49 0.83 -0.45 1.51 2.43 -1.28 -1.20 114.38 116.71 3n04 h ARG 498 Ca 0.05 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3n04 h ARG 498 Cb 0.86 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 3n04 h ARG 498 CO 0.07 0.55 0.27 0.77 -1.51 0.00 0.00 179.97 180.12 3n04 h SER 499 N 0.85 0.43 -0.08 -3.80 0.02 -0.99 0.24 113.55 110.23 3n04 h SER 499 Ca 0.24 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 3n04 h SER 499 Cb -0.08 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 3n04 h SER 499 CO -0.06 0.31 0.01 0.58 -1.14 0.00 0.00 176.83 176.53 3n04 h VAL 500 N 0.54 1.21 -0.41 2.27 2.07 -1.07 -2.55 116.25 118.30 3n04 h VAL 500 Ca 0.18 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 3n04 h VAL 500 Cb 0.01 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3n04 h VAL 500 CO -0.08 0.18 -0.06 0.40 0.02 0.00 0.00 177.57 178.04 3n04 h ILE 501 N -0.10 1.24 -0.93 4.57 1.08 -1.13 -2.42 117.51 119.81 3n04 h ILE 501 Ca 0.02 -1.02 0.14 0.00 -0.39 0.00 0.00 64.86 63.61 3n04 h ILE 501 Cb 0.27 0.99 -0.09 0.00 -3.07 0.00 0.00 36.82 34.92 3n04 h ILE 501 CO 0.00 0.35 0.55 0.78 -0.69 0.00 0.00 178.15 179.14 3n04 h ASN 502 N 0.63 0.75 -0.64 1.72 2.35 -0.43 -2.16 115.58 117.81 3n04 h ASN 502 Ca 0.12 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3n04 h ASN 502 Cb 0.48 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 3n04 h ASN 502 CO 0.02 0.36 0.37 0.00 -1.65 0.00 0.00 177.43 176.53 3n04 h ALA 503 N 1.55 0.82 -0.23 -0.83 0.00 -1.00 -0.45 119.26 119.11 3n04 h ALA 503 Ca 0.49 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.37 3n04 h ALA 503 Cb 0.60 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 3n04 h ALA 503 CO -0.31 0.31 -0.21 -0.09 0.00 0.00 0.00 179.25 178.95 3n04 h ARG 504 N 0.87 -0.20 -0.04 0.00 9.65 -1.30 -2.05 114.38 121.31 3n04 h ARG 504 Ca 0.23 0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 59.03 3n04 h ARG 504 Cb 0.01 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 3n04 h ARG 504 CO -0.04 -0.14 -0.40 1.88 2.80 0.00 0.00 179.97 184.07 3n04 h TYR 505 N -0.21 0.10 0.00 2.20 -1.99 -1.00 -0.62 116.97 115.45 3n04 h TYR 505 Ca 0.13 -0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.77 3n04 h TYR 505 Cb 0.41 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.11 3n04 h TYR 505 CO -0.36 0.48 -0.34 0.00 -0.00 0.00 0.00 178.16 177.94 3n04 h ARG 506 N 0.07 0.00 -0.00 4.88 3.08 -0.78 -3.05 114.38 118.58 3n04 h ARG 506 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3n04 h ARG 506 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3n04 h ARG 506 CO 0.06 0.34 -0.72 1.28 -1.07 0.00 0.00 179.97 179.85 3n04 n LEU 507 N -4.00 0.81 -0.18 3.04 4.77 -0.68 -1.51 117.00 119.26 3n04 n LEU 507 Ca -0.02 -0.27 -0.01 0.00 -0.03 0.00 0.00 56.01 55.68 3n04 n LEU 507 Cb 0.39 -0.12 0.09 0.00 -2.33 0.00 0.00 43.42 41.45 3n04 n LEU 507 CO 0.38 0.20 0.89 0.58 -1.33 0.00 0.00 177.39 178.11 3n04 h VAL 508 N 0.14 0.65 -0.60 4.08 2.07 -1.03 0.67 116.25 122.24 3n04 h VAL 508 Ca 0.00 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.50 3n04 h VAL 508 Cb 0.51 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 3n04 h VAL 508 CO 0.00 0.04 0.33 -0.65 0.02 0.00 0.00 177.57 177.31 3n04 h PRO 509 N 0.21 0.60 -0.15 1.57 0.11 -1.80 0.62 132.00 133.17 3n04 h PRO 509 Ca 0.28 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 3n04 h PRO 509 Cb 0.41 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 3n04 h PRO 509 CO -0.39 0.40 0.05 -0.92 -0.21 0.00 0.00 178.00 176.93 3n04 h TYR 510 N 0.62 0.24 -0.68 0.65 3.20 -1.58 -1.05 116.97 118.36 3n04 h TYR 510 Ca 0.26 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 3n04 h TYR 510 Cb 0.14 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 3n04 h TYR 510 CO -0.08 0.34 0.32 -0.07 -1.64 0.00 0.00 178.16 177.03 3n04 h LEU 511 N 0.07 0.91 -0.09 2.82 3.38 -0.64 0.12 115.31 121.88 3n04 h LEU 511 Ca 0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3n04 h LEU 511 Cb 0.21 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3n04 h LEU 511 CO -0.00 0.79 0.02 0.22 0.09 0.00 0.00 178.44 179.56 3n04 h TYR 512 N 0.96 0.16 -0.29 1.13 3.20 -0.87 -0.71 116.97 120.55 3n04 h TYR 512 Ca 0.23 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.15 3n04 h TYR 512 Cb 0.14 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.30 3n04 h TYR 512 CO 0.01 0.33 -0.10 1.03 -1.64 0.00 0.00 178.16 177.79 3n04 h SER 513 N -0.07 -0.34 -0.69 -2.11 0.87 -0.92 -2.22 113.55 108.08 3n04 h SER 513 Ca 0.03 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 3n04 h SER 513 Cb 0.26 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 3n04 h SER 513 CO 0.00 -0.13 0.34 -0.33 -0.53 0.00 0.00 176.83 176.19 3n04 h GLU 514 N -0.04 0.98 0.00 2.24 4.39 -0.65 -1.10 114.58 120.40 3n04 h GLU 514 Ca 0.14 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3n04 h GLU 514 Cb 0.26 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3n04 h GLU 514 CO -0.32 0.76 0.00 0.98 -1.16 0.00 0.00 179.01 179.27 3n04 n TYR 515 N -4.46 0.00 0.00 4.33 9.36 -0.28 -1.71 117.16 124.39 3n04 n TYR 515 Ca 0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.27 3n04 n TYR 515 Cb 0.12 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.83 3n04 n TYR 515 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3n04 n LYS 517 N 0.08 0.00 -0.02 2.98 5.02 -0.42 -0.51 118.16 125.29 3n04 n LYS 517 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 3n04 n LYS 517 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 3n04 n LYS 517 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3n04 h ALA 518 N 0.00 0.06 -0.48 7.82 0.00 -1.58 -2.34 119.26 122.74 3n04 h ALA 518 Ca 0.00 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.74 3n04 h ALA 518 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3n04 h ALA 518 CO 0.00 -0.22 0.24 0.00 0.00 0.00 0.00 179.25 179.27 3n04 h ALA 519 N 0.62 0.61 0.00 0.00 0.00 -1.02 0.22 119.26 119.69 3n04 h ALA 519 Ca 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3n04 h ALA 519 Cb 0.43 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3n04 h ALA 519 CO 0.01 -0.11 -0.04 -0.07 0.00 0.00 0.00 179.25 179.04 3n04 h LEU 520 N 0.47 0.00 -3.10 0.00 3.38 -1.80 -3.01 115.31 111.26 3n04 h LEU 520 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3n04 h LEU 520 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3n04 h LEU 520 CO -0.15 0.04 0.00 0.59 0.09 0.00 0.00 178.44 179.01 3n04 n ASN 521 N -3.14 3.09 -3.79 -0.43 3.02 -0.88 -5.00 115.26 108.14 3n04 n ASN 521 Ca 0.01 -2.75 -0.25 0.00 -0.03 0.00 0.00 54.58 51.56 3n04 n ASN 521 Cb 0.36 -0.40 0.03 0.00 -0.61 0.00 0.00 39.78 39.16 3n04 n ASN 521 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3n04 n ASP 522 N -0.58 -3.08 0.00 6.41 8.00 -0.62 -5.02 116.55 121.66 3n04 n ASP 522 Ca 0.16 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.87 3n04 n ASP 522 Cb 0.67 -4.04 0.00 0.00 -0.02 0.00 0.00 41.12 37.73 3n04 n ASP 522 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3n04 n ASP 523 N -2.96 0.00 0.07 -2.24 -0.08 0.69 -4.68 116.55 107.35 3n04 n ASP 523 Ca -0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 3n04 n ASP 523 Cb 0.60 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.06 3n04 n ASP 523 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3n04 n TYR 525 N 0.00 -0.91 -3.44 -0.67 9.36 -1.26 -4.47 117.16 115.77 3n04 n TYR 525 Ca 0.00 0.16 -0.38 0.00 3.32 0.00 0.00 57.90 61.00 3n04 n TYR 525 Cb 0.00 0.26 -0.06 0.00 -0.63 0.00 0.00 39.34 38.91 3n04 n TYR 525 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 3n04 s PHE 526 N -1.76 3.74 0.02 2.98 0.08 -1.26 -1.04 117.98 120.75 3n04 s PHE 526 Ca 0.00 1.07 0.03 0.00 0.12 0.00 0.00 56.93 58.15 3n04 s PHE 526 Cb 0.00 -2.35 -0.02 0.00 -0.57 0.00 0.00 43.02 40.08 3n04 s PHE 526 CO 0.00 0.62 -0.10 0.15 -0.10 0.00 0.00 175.22 175.79 3n04 s LYS 527 N -1.04 0.70 0.62 0.44 1.02 -1.26 -4.61 119.74 115.60 3n04 s LYS 527 Ca 0.25 -0.59 -0.18 0.00 0.02 0.00 0.00 55.97 55.48 3n04 s LYS 527 Cb -0.17 -0.63 -0.02 0.00 -0.52 0.00 0.00 37.83 36.48 3n04 s LYS 527 CO 0.15 0.16 1.17 -2.14 -0.92 0.00 0.00 175.35 173.76 3n04 s PRO 528 N -0.93 2.89 0.40 -1.68 0.02 -1.26 -4.66 135.00 129.79 3n04 s PRO 528 Ca -0.01 1.68 0.13 0.00 0.02 0.00 0.00 61.00 62.81 3n04 s PRO 528 Cb -0.07 -1.94 0.96 0.00 0.02 0.00 0.00 34.50 33.47 3n04 s PRO 528 CO 0.01 -1.23 1.91 -0.07 -0.33 0.00 0.00 177.00 177.28 3n04 h LEU 529 N 0.59 0.49 -2.33 -5.54 4.07 -1.80 -1.69 115.31 109.11 3n04 h LEU 529 Ca -0.49 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.49 3n04 h LEU 529 Cb 1.28 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.95 3n04 h LEU 529 CO 0.54 0.26 -0.04 1.23 -1.08 0.00 0.00 178.44 179.35 3n04 h GLY 530 N 0.53 0.00 1.96 0.83 0.00 -1.82 0.11 103.07 104.68 3n04 h GLY 530 Ca 0.39 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.53 3n04 h GLY 530 CO -0.14 0.00 -0.91 0.74 0.00 0.00 0.00 176.54 176.23 3n04 h PHE 531 N 0.00 0.05 0.06 5.60 -1.00 -1.67 -2.97 116.94 117.00 3n04 h PHE 531 Ca -0.00 -0.03 -0.32 0.00 2.81 0.00 0.00 57.97 60.43 3n04 h PHE 531 Cb 0.18 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.70 3n04 h PHE 531 CO 0.00 0.92 -1.76 0.28 -1.61 0.00 0.00 178.31 176.14 3n04 h VAL 532 N 0.01 0.84 -2.15 -0.55 2.07 -1.39 -3.41 116.25 111.67 3n04 h VAL 532 Ca -0.02 -2.62 -0.58 0.00 0.82 0.00 0.00 66.70 64.30 3n04 h VAL 532 Cb 1.59 2.51 -0.41 0.00 -1.52 0.00 0.00 31.29 33.45 3n04 h VAL 532 CO 0.12 0.68 -0.74 -1.22 0.02 0.00 0.00 177.57 176.43 3n04 n TYR 533 N -3.26 2.64 0.26 1.57 4.01 0.30 -4.94 117.16 117.74 3n04 n TYR 533 Ca -0.21 -3.99 0.15 0.00 -0.16 0.00 0.00 57.90 53.69 3n04 n TYR 533 Cb 1.05 -0.50 0.64 0.00 -0.31 0.00 0.00 39.34 40.22 3n04 n TYR 533 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3n04 h PRO 534 N 3.94 0.00 -0.13 -0.72 0.13 -1.76 -2.47 132.00 131.00 3n04 h PRO 534 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3n04 h PRO 534 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3n04 h PRO 534 CO 0.74 0.09 0.00 -0.25 -0.23 0.00 0.00 178.00 178.34 3n04 n ASP 535 N -3.25 1.58 -4.34 1.44 8.00 -1.26 -4.79 116.55 113.94 3n04 n ASP 535 Ca -0.00 -1.65 -0.40 0.00 0.71 0.00 0.00 54.79 53.45 3n04 n ASP 535 Cb 0.33 -0.08 -0.11 0.00 -0.02 0.00 0.00 41.12 41.24 3n04 n ASP 535 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3n04 s ASP 536 N -1.68 5.67 0.00 -2.24 -1.08 -0.93 -5.07 116.67 111.34 3n04 s ASP 536 Ca 0.34 -1.15 0.00 0.00 -0.52 0.00 0.00 52.55 51.21 3n04 s ASP 536 Cb 0.18 -2.00 0.00 0.00 -1.46 0.00 0.00 42.92 39.64 3n04 s ASP 536 CO 0.28 -0.42 0.23 0.29 0.52 0.00 0.00 175.17 176.07 3n04 n LYS 537 N 4.96 0.21 0.00 4.34 4.76 -1.26 -2.05 118.16 129.12 3n04 n LYS 537 Ca -0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 3n04 n LYS 537 Cb 0.45 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 3n04 n LYS 537 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3n04 n ALA 539 N 0.98 0.00 0.30 7.82 0.00 -1.26 -3.90 120.51 124.44 3n04 n ALA 539 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 3n04 n ALA 539 Cb 0.11 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.37 3n04 n ALA 539 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3n04 h ILE 540 N 0.00 0.00 -0.02 0.00 3.07 -1.65 -2.58 117.51 116.34 3n04 h ILE 540 Ca 0.00 -0.37 0.00 0.00 1.55 0.00 0.00 64.86 66.04 3n04 h ILE 540 Cb 0.00 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 37.90 3n04 h ILE 540 CO 0.00 0.00 -0.29 0.54 -1.05 0.00 0.00 178.15 177.35 3n04 n ARG 541 N -3.05 1.34 -2.42 0.16 5.12 -1.25 -4.71 116.66 111.85 3n04 n ARG 541 Ca -0.00 -1.01 -0.42 0.00 -1.93 0.00 0.00 57.85 54.49 3n04 n ARG 541 Cb 0.24 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 30.04 3n04 n ARG 541 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3n04 s VAL 542 N -2.36 4.14 -0.15 1.55 1.01 -0.97 -4.90 120.40 118.72 3n04 s VAL 542 Ca 0.24 1.49 0.01 0.00 0.00 0.00 0.00 61.98 63.72 3n04 s VAL 542 Cb 0.19 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.62 3n04 s VAL 542 CO 0.49 0.01 0.54 -0.62 0.00 0.00 0.00 175.10 175.52 3n04 n GLU 543 N 5.11 -0.79 -0.15 2.72 1.02 -1.26 -4.65 120.64 122.64 3n04 n GLU 543 Ca 0.11 -0.57 0.09 0.00 -0.02 0.00 0.00 57.16 56.77 3n04 n GLU 543 Cb 0.46 -1.02 0.15 0.00 -0.02 0.00 0.00 31.44 31.01 3n04 n GLU 543 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3n04 n ASP 544 N 0.06 2.26 -4.00 1.62 5.75 -1.26 -4.52 116.55 116.46 3n04 n ASP 544 Ca 0.01 -3.21 -0.09 0.00 -0.01 0.00 0.00 54.79 51.49 3n04 n ASP 544 Cb 0.03 -0.45 -0.11 0.00 -1.03 0.00 0.00 41.12 39.57 3n04 n ASP 544 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3n04 s GLN 545 N -2.93 0.39 0.00 0.11 -0.21 -1.26 -4.52 119.66 111.23 3n04 s GLN 545 Ca 0.33 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 54.95 3n04 s GLN 545 Cb 0.29 0.14 0.00 0.00 1.00 0.00 0.00 33.01 34.44 3n04 s GLN 545 CO 0.02 -0.07 0.00 1.28 -2.12 0.00 0.00 175.29 174.40 3n04 n LEU 546 N 1.23 0.00 -3.55 2.90 4.77 -0.76 -4.55 117.00 117.04 3n04 n LEU 546 Ca -0.22 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.77 3n04 n LEU 546 Cb 0.56 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.60 3n04 n LEU 546 CO 0.22 0.00 0.83 -0.22 -1.33 0.00 0.00 177.39 176.89 3n04 s LEU 548 N 0.00 -0.29 0.00 2.23 0.20 -0.56 -0.26 118.68 120.01 3n04 s LEU 548 Ca 0.00 0.44 0.00 0.00 0.69 0.00 0.00 54.13 55.26 3n04 s LEU 548 Cb 0.00 1.39 0.00 0.00 -0.43 0.00 0.00 46.19 47.15 3n04 s LEU 548 CO 0.00 -0.07 0.00 0.61 -0.29 0.00 0.00 176.35 176.60 3n04 n GLY 549 N 3.75 2.74 0.18 7.98 0.00 -0.21 -3.08 105.19 116.55 3n04 n GLY 549 Ca -0.15 -0.27 0.02 0.00 0.00 0.00 0.00 46.02 45.62 3n04 n GLY 549 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3n04 n ASN 550 N 1.19 2.25 -0.04 1.61 3.02 -1.26 -4.80 115.26 117.23 3n04 n ASN 550 Ca 0.00 -1.99 -0.05 0.00 -0.03 0.00 0.00 54.58 52.51 3n04 n ASN 550 Cb 0.00 -0.07 -0.05 0.00 -0.61 0.00 0.00 39.78 39.05 3n04 n ASN 550 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3n04 n GLU 551 N -0.21 1.94 0.00 3.52 4.71 -1.22 -4.93 120.64 124.46 3n04 n GLU 551 Ca 0.03 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 3n04 n GLU 551 Cb 0.30 -1.19 0.00 0.00 -1.01 0.00 0.00 31.44 29.54 3n04 n GLU 551 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 3n04 n ILE 552 N -2.44 0.00 -3.69 -3.67 -5.35 -1.18 -0.71 119.36 102.32 3n04 n ILE 552 Ca -0.14 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.20 3n04 n ILE 552 Cb 0.72 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.54 3n04 n ILE 552 CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 3n04 s ILE 554 N 1.10 0.05 -0.49 7.28 -4.36 0.65 -1.49 121.20 123.94 3n04 s ILE 554 Ca 0.00 -0.40 0.06 0.00 -0.26 0.00 0.00 60.65 60.06 3n04 s ILE 554 Cb 0.00 -0.78 0.19 0.00 1.25 0.00 0.00 42.46 43.12 3n04 s ILE 554 CO 0.00 -0.22 0.64 0.00 0.24 0.00 0.00 174.94 175.60 3n04 n ALA 555 N 0.99 -0.53 -1.77 2.27 0.00 -1.26 -1.83 120.51 118.38 3n04 n ALA 555 Ca -0.20 -1.65 -0.35 0.00 0.00 0.00 0.00 53.44 51.23 3n04 n ALA 555 Cb 0.57 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3n04 n ALA 555 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3n04 s PRO 556 N 0.58 3.38 0.05 0.00 0.04 -1.26 -4.97 135.00 132.81 3n04 s PRO 556 Ca 0.31 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 3n04 s PRO 556 Cb 0.04 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 3n04 s PRO 556 CO -0.11 -0.84 1.12 0.08 0.04 0.00 0.00 177.00 177.29 3n04 s VAL 557 N -1.73 4.31 -0.04 -0.36 1.01 -1.26 -4.94 120.40 117.39 3n04 s VAL 557 Ca 0.72 1.68 0.06 0.00 0.00 0.00 0.00 61.98 64.43 3n04 s VAL 557 Cb -0.25 -4.07 0.08 0.00 0.00 0.00 0.00 36.38 32.14 3n04 s VAL 557 CO 0.28 0.14 0.94 0.00 0.00 0.00 0.00 175.10 176.46 3n04 n TYR 558 N 3.82 0.00 -4.97 5.22 0.18 -1.26 -4.91 117.16 115.23 3n04 n TYR 558 Ca 0.08 -0.42 -0.32 0.00 1.88 0.00 0.00 57.90 59.12 3n04 n TYR 558 Cb 0.48 -0.07 -0.15 0.00 -0.38 0.00 0.00 39.34 39.22 3n04 n TYR 558 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 3n04 s GLU 559 N -1.09 2.83 0.40 -3.48 0.41 -1.26 -4.83 118.70 111.67 3n04 s GLU 559 Ca 0.09 -0.76 -0.26 0.00 -0.41 0.00 0.00 54.97 53.64 3n04 s GLU 559 Cb 0.08 -2.40 -0.09 0.00 -1.78 0.00 0.00 34.13 29.95 3n04 s GLU 559 CO 0.01 0.41 1.27 -1.14 -0.49 0.00 0.00 175.26 175.31 3n04 s GLN 560 N -0.18 4.01 0.00 1.61 0.74 -1.26 -2.71 119.66 121.87 3n04 s GLN 560 Ca -0.01 2.08 0.00 0.00 0.05 0.00 0.00 55.36 57.47 3n04 s GLN 560 Cb -0.13 -2.76 0.00 0.00 1.10 0.00 0.00 33.01 31.22 3n04 s GLN 560 CO 0.03 -0.43 0.00 0.09 -0.55 0.00 0.00 175.29 174.43 3n04 n ASN 561 N 0.16 0.00 -4.76 6.67 3.02 -1.26 -4.99 115.26 114.10 3n04 n ASN 561 Ca 0.04 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.18 3n04 n ASN 561 Cb 0.44 -1.22 -0.04 0.00 -0.61 0.00 0.00 39.78 38.35 3n04 n ASN 561 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3n04 s ALA 562 N -2.42 3.42 -1.36 5.41 0.00 -1.10 -4.94 121.76 120.77 3n04 s ALA 562 Ca 0.00 0.93 0.14 0.00 0.00 0.00 0.00 51.96 53.03 3n04 s ALA 562 Cb 0.00 -3.34 0.33 0.00 0.00 0.00 0.00 23.12 20.11 3n04 s ALA 562 CO 0.00 -0.20 1.24 0.54 0.00 0.00 0.00 175.76 177.34 3n04 n ARG 563 N 1.22 2.38 -1.95 0.00 1.74 -1.26 -4.86 116.66 113.93 3n04 n ARG 563 Ca -0.01 -2.01 0.00 0.00 -0.77 0.00 0.00 57.85 55.06 3n04 n ARG 563 Cb 0.45 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 3n04 n ARG 563 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3n04 n GLY 564 N 0.82 0.48 3.54 -0.13 0.00 -1.26 -0.92 105.19 107.72 3n04 n GLY 564 Ca 0.13 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 3n04 n GLY 564 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3n04 s ARG 565 N -2.00 1.23 0.35 1.61 1.70 -0.51 -4.87 118.95 116.46 3n04 s ARG 565 Ca 0.00 -0.53 -0.25 0.00 -0.47 0.00 0.00 55.73 54.49 3n04 s ARG 565 Cb -0.00 0.52 -0.10 0.00 -0.57 0.00 0.00 34.95 34.80 3n04 s ARG 565 CO -0.00 -0.55 0.94 0.71 -1.08 0.00 0.00 175.30 175.33 3n04 s TYR 566 N -3.57 3.60 0.03 5.89 2.02 -1.26 -0.51 117.35 123.55 3n04 s TYR 566 Ca 0.05 1.74 0.00 0.00 -0.37 0.00 0.00 57.07 58.49 3n04 s TYR 566 Cb -0.02 -2.90 -0.02 0.00 -0.40 0.00 0.00 41.96 38.62 3n04 s TYR 566 CO -0.07 0.14 -0.04 0.14 -1.57 0.00 0.00 175.55 174.14 3n04 s VAL 567 N -1.75 0.24 -0.20 0.71 -7.23 0.16 -4.93 120.40 107.40 3n04 s VAL 567 Ca 0.53 -1.11 -0.03 0.00 -1.81 0.00 0.00 61.98 59.56 3n04 s VAL 567 Cb -0.16 -0.56 -0.01 0.00 0.56 0.00 0.00 36.38 36.21 3n04 s VAL 567 CO 0.21 -0.56 -0.07 -0.47 -0.31 0.00 0.00 175.10 173.91 3n04 s TYR 568 N -1.86 2.92 -0.28 2.82 5.04 -1.26 -0.38 117.35 124.36 3n04 s TYR 568 Ca -0.10 -0.91 -0.10 0.00 -2.44 0.00 0.00 57.07 53.51 3n04 s TYR 568 Cb -0.07 -2.04 -0.03 0.00 0.35 0.00 0.00 41.96 40.16 3n04 s TYR 568 CO -0.02 -0.49 0.15 -0.51 -1.34 0.00 0.00 175.55 173.34 3n04 s LEU 569 N 1.23 3.91 0.08 6.97 1.43 -0.01 -4.97 118.68 127.32 3n04 s LEU 569 Ca 0.03 -0.20 0.22 0.00 -1.03 0.00 0.00 54.13 53.15 3n04 s LEU 569 Cb -0.14 -2.04 0.89 0.00 0.03 0.00 0.00 46.19 44.93 3n04 s LEU 569 CO -0.02 -0.09 1.69 -2.65 0.23 0.00 0.00 176.35 175.51 3n04 n PRO 570 N 5.01 0.08 -4.02 1.29 -0.02 -1.26 -0.19 135.00 135.88 3n04 n PRO 570 Ca -0.14 0.21 -0.11 0.00 -2.02 0.00 0.00 63.50 61.43 3n04 n PRO 570 Cb 0.51 -1.62 -0.04 0.00 -0.02 0.00 0.00 33.50 32.33 3n04 n PRO 570 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3n04 s GLU 571 N -3.08 1.71 1.09 -0.52 -1.05 -1.26 -4.89 118.70 110.69 3n04 s GLU 571 Ca 0.09 -1.45 -0.12 0.00 -0.15 0.00 0.00 54.97 53.34 3n04 s GLU 571 Cb 0.13 0.46 0.24 0.00 -0.44 0.00 0.00 34.13 34.52 3n04 s GLU 571 CO 0.41 -0.71 1.03 -1.91 0.95 0.00 0.00 175.26 175.03 3n04 n GLU 572 N -0.45 -1.77 -3.91 -4.83 2.13 -1.26 -3.93 120.64 106.62 3n04 n GLU 572 Ca -0.01 -0.47 -0.35 0.00 0.66 0.00 0.00 57.16 56.98 3n04 n GLU 572 Cb 0.62 -2.23 -0.14 0.00 0.27 0.00 0.00 31.44 29.96 3n04 n GLU 572 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3n04 s LYS 574 N -4.45 2.82 -0.30 5.31 1.02 -0.15 -1.94 119.74 122.05 3n04 s LYS 574 Ca 0.68 -1.00 -0.29 0.00 0.02 0.00 0.00 55.97 55.38 3n04 s LYS 574 Cb -0.24 -3.10 -0.00 0.00 -0.52 0.00 0.00 37.83 33.97 3n04 s LYS 574 CO 0.63 -0.44 1.38 0.12 -0.92 0.00 0.00 175.35 176.11 3n04 s PHE 575 N 1.35 2.53 -0.09 3.18 5.36 0.15 -1.23 117.98 129.24 3n04 s PHE 575 Ca -0.00 0.78 0.01 0.00 -0.96 0.00 0.00 56.93 56.75 3n04 s PHE 575 Cb -0.17 -3.98 -0.03 0.00 -0.34 0.00 0.00 43.02 38.50 3n04 s PHE 575 CO -0.02 -1.98 -0.10 0.42 -1.46 0.00 0.00 175.22 172.08 3n04 s ILE 576 N 4.70 3.44 -0.06 3.12 -1.09 0.59 -1.11 121.20 130.79 3n04 s ILE 576 Ca 0.60 -0.56 0.00 0.00 -2.23 0.00 0.00 60.65 58.46 3n04 s ILE 576 Cb -0.18 -2.41 0.02 0.00 -1.58 0.00 0.00 42.46 38.31 3n04 s ILE 576 CO 0.26 0.57 -0.04 -0.54 -1.23 0.00 0.00 174.94 173.95 3n04 s LYS 577 N -0.41 0.93 0.97 2.79 1.02 -0.68 -0.62 119.74 123.74 3n04 s LYS 577 Ca 0.05 -0.10 -0.12 0.00 0.02 0.00 0.00 55.97 55.82 3n04 s LYS 577 Cb -0.12 -1.00 0.17 0.00 -0.52 0.00 0.00 37.83 36.36 3n04 s LYS 577 CO 0.02 -0.14 1.11 -0.06 -0.92 0.00 0.00 175.35 175.36 3n04 s PHE 578 N 1.22 2.23 -0.18 3.18 0.40 -0.69 -1.18 117.98 122.96 3n04 s PHE 578 Ca -0.06 0.94 0.16 0.00 -0.60 0.00 0.00 56.93 57.37 3n04 s PHE 578 Cb -0.14 -3.31 -0.23 0.00 0.51 0.00 0.00 43.02 39.85 3n04 s PHE 578 CO -0.02 -2.73 0.42 -0.35 0.70 0.00 0.00 175.22 173.24 3n04 n PRO 580 N -4.05 0.79 -0.13 0.24 -0.04 -1.26 -2.46 135.00 128.09 3n04 n PRO 580 Ca 0.06 -0.11 0.07 0.00 -0.04 0.00 0.00 63.50 63.47 3n04 n PRO 580 Cb 0.58 -1.35 0.24 0.00 -0.04 0.00 0.00 33.50 32.93 3n04 n PRO 580 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3n04 n ASP 581 N -1.90 1.63 0.00 3.54 5.75 -1.26 -4.88 116.55 119.43 3n04 n ASP 581 Ca -0.02 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 3n04 n ASP 581 Cb 0.38 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 3n04 n ASP 581 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3n04 n GLY 582 N 1.05 0.79 3.98 6.12 0.00 -1.26 -5.07 105.19 110.80 3n04 n GLY 582 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 3n04 n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3n04 s SER 583 N -2.91 4.18 -0.15 1.61 1.04 -1.26 -5.09 113.70 111.12 3n04 s SER 583 Ca 0.00 -0.28 -0.01 0.00 0.48 0.00 0.00 55.95 56.14 3n04 s SER 583 Cb 0.00 -0.05 0.04 0.00 0.10 0.00 0.00 66.02 66.11 3n04 s SER 583 CO 0.00 -1.98 -0.05 -0.63 0.98 0.00 0.00 173.24 171.55 3n04 s ILE 584 N -3.24 1.05 0.31 -1.02 1.01 -1.26 -4.58 121.20 113.47 3n04 s ILE 584 Ca 0.67 -0.52 -0.19 0.00 0.00 0.00 0.00 60.65 60.61 3n04 s ILE 584 Cb -0.05 -1.20 -0.09 0.00 0.01 0.00 0.00 42.46 41.13 3n04 s ILE 584 CO 0.45 0.18 0.80 -0.94 0.00 0.00 0.00 174.94 175.43 3n04 s SER 585 N 1.67 6.96 -0.06 3.58 1.04 -0.33 -4.91 113.70 121.65 3n04 s SER 585 Ca 0.02 1.47 -0.03 0.00 0.48 0.00 0.00 55.95 57.89 3n04 s SER 585 Cb -0.15 -2.44 0.03 0.00 0.10 0.00 0.00 66.02 63.56 3n04 s SER 585 CO -0.08 -0.15 0.14 -0.70 0.98 0.00 0.00 173.24 173.44 3n04 s GLU 586 N -2.60 0.10 -0.11 4.02 2.12 -1.26 -1.69 118.70 119.28 3n04 s GLU 586 Ca 0.52 0.33 -0.05 0.00 0.36 0.00 0.00 54.97 56.12 3n04 s GLU 586 Cb -0.13 -0.13 0.05 0.00 0.26 0.00 0.00 34.13 34.19 3n04 s GLU 586 CO 0.18 -0.13 0.25 -2.00 -0.54 0.00 0.00 175.26 173.02 3n04 s GLU 587 N 0.93 0.18 -0.02 4.30 2.12 -0.27 -4.98 118.70 120.96 3n04 s GLU 587 Ca -0.07 0.60 -0.30 0.00 0.36 0.00 0.00 54.97 55.56 3n04 s GLU 587 Cb -0.09 -0.10 -0.04 0.00 0.26 0.00 0.00 34.13 34.16 3n04 s GLU 587 CO -0.05 -0.21 1.24 0.08 -0.54 0.00 0.00 175.26 175.79 3n04 s VAL 588 N 1.66 4.10 -0.06 3.70 1.01 -1.26 0.34 120.40 129.89 3n04 s VAL 588 Ca -0.06 1.46 0.04 0.00 0.00 0.00 0.00 61.98 63.42 3n04 s VAL 588 Cb -0.11 -3.94 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 3n04 s VAL 588 CO -0.08 0.02 -0.19 -0.76 0.00 0.00 0.00 175.10 174.08 3n04 s LEU 589 N 2.03 1.94 0.67 3.92 1.43 -1.26 -4.93 118.68 122.47 3n04 s LEU 589 Ca 0.58 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 53.15 3n04 s LEU 589 Cb -0.27 -1.11 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 3n04 s LEU 589 CO 0.24 0.15 1.06 -1.61 0.23 0.00 0.00 176.35 176.43 3n04 s GLU 590 N 0.15 3.19 0.39 1.70 2.02 -1.26 -4.42 118.70 120.48 3n04 s GLU 590 Ca -0.08 0.64 -0.24 0.00 0.02 0.00 0.00 54.97 55.32 3n04 s GLU 590 Cb -0.14 -2.04 -0.13 0.00 0.10 0.00 0.00 34.13 31.92 3n04 s GLU 590 CO 0.04 -0.84 0.69 1.17 0.02 0.00 0.00 175.26 176.34 3n04 n LYS 591 N -2.91 0.77 0.00 1.61 4.81 -1.25 -4.77 118.16 116.42 3n04 n LYS 591 Ca 0.07 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 3n04 n LYS 591 Cb 0.55 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 33.98 3n04 n LYS 591 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3n04 n GLY 592 N 1.62 0.30 3.74 3.14 0.00 0.73 -4.95 105.19 109.77 3n04 n GLY 592 Ca 0.11 -2.27 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 3n04 n GLY 592 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n04 s VAL 593 N -0.22 4.97 0.04 1.61 1.01 -1.26 -0.83 120.40 125.71 3n04 s VAL 593 Ca 0.00 1.28 0.01 0.00 0.00 0.00 0.00 61.98 63.27 3n04 s VAL 593 Cb 0.00 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 3n04 s VAL 593 CO 0.00 0.36 -0.05 -1.00 0.00 0.00 0.00 175.10 174.41 3n04 s HIS 594 N 0.17 0.48 -0.22 5.22 3.76 0.49 -5.00 115.29 120.20 3n04 s HIS 594 Ca 0.32 -0.63 -0.08 0.00 -0.15 0.00 0.00 55.06 54.53 3n04 s HIS 594 Cb -0.18 -0.31 -0.04 0.00 1.11 0.00 0.00 32.58 33.16 3n04 s HIS 594 CO 0.17 -0.18 0.10 -0.47 -0.85 0.00 0.00 174.74 173.51 3n04 s TYR 595 N -1.95 3.23 0.05 1.40 5.04 -1.26 0.39 117.35 124.26 3n04 s TYR 595 Ca -0.09 0.02 0.08 0.00 -2.44 0.00 0.00 57.07 54.64 3n04 s TYR 595 Cb -0.06 -2.17 -0.03 0.00 0.35 0.00 0.00 41.96 40.04 3n04 s TYR 595 CO -0.02 0.02 -0.19 0.14 -1.34 0.00 0.00 175.55 174.16 3n04 s VAL 596 N 0.86 2.74 -0.03 3.14 -7.23 0.33 -4.95 120.40 115.27 3n04 s VAL 596 Ca 0.05 -1.25 -0.24 0.00 -1.81 0.00 0.00 61.98 58.73 3n04 s VAL 596 Cb -0.13 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 3n04 s VAL 596 CO 0.03 0.30 0.72 -1.81 -0.31 0.00 0.00 175.10 174.03 3n04 s ASP 597 N -1.53 7.06 -0.23 4.85 1.01 -1.26 -1.43 116.67 125.15 3n04 s ASP 597 Ca 0.15 1.28 -0.03 0.00 0.71 0.00 0.00 52.55 54.65 3n04 s ASP 597 Cb -0.10 -2.43 0.10 0.00 1.01 0.00 0.00 42.92 41.49 3n04 s ASP 597 CO 0.06 -0.07 0.21 -0.69 0.21 0.00 0.00 175.17 174.88 3n04 s VAL 598 N 0.52 -0.27 0.67 -1.27 1.01 -0.10 -4.92 120.40 116.03 3n04 s VAL 598 Ca 0.38 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 3n04 s VAL 598 Cb -0.19 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.42 3n04 s VAL 598 CO 0.20 -0.34 1.06 0.00 0.00 0.00 0.00 175.10 176.02 3n04 s ALA 599 N 2.28 2.68 0.44 5.51 0.00 -1.26 -3.99 121.76 127.42 3n04 s ALA 599 Ca 0.07 0.18 0.21 0.00 0.00 0.00 0.00 51.96 52.41 3n04 s ALA 599 Cb -0.15 -3.19 1.17 0.00 0.00 0.00 0.00 23.12 20.94 3n04 s ALA 599 CO -0.19 -1.12 1.86 -0.07 0.00 0.00 0.00 175.76 176.23 3n04 h LEU 600 N -0.40 0.32 -2.83 0.00 3.38 -1.94 -0.78 115.31 113.06 3n04 h LEU 600 Ca -0.45 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3n04 h LEU 600 Cb 1.21 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3n04 h LEU 600 CO 0.57 0.12 0.00 -0.46 0.09 0.00 0.00 178.44 178.76 3n04 n ASN 601 N -4.47 4.34 -4.51 -0.43 0.23 -1.26 -4.75 115.26 104.41 3n04 n ASN 601 Ca 0.19 -2.42 -0.33 0.00 -0.53 0.00 0.00 54.58 51.50 3n04 n ASN 601 Cb 0.77 -0.55 -0.12 0.00 -2.08 0.00 0.00 39.78 37.79 3n04 n ASN 601 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3n04 s GLU 602 N -1.85 2.73 -0.34 -3.83 2.02 -0.30 -4.13 118.70 113.00 3n04 s GLU 602 Ca 0.46 -0.62 -0.03 0.00 0.02 0.00 0.00 54.97 54.79 3n04 s GLU 602 Cb 0.30 -2.51 0.06 0.00 0.10 0.00 0.00 34.13 32.08 3n04 s GLU 602 CO 0.22 0.59 0.07 0.08 0.02 0.00 0.00 175.26 176.24 3n04 s VAL 603 N -0.63 3.29 0.30 2.63 1.01 -1.03 -4.72 120.40 121.25 3n04 s VAL 603 Ca 0.09 -1.45 -0.06 0.00 0.00 0.00 0.00 61.98 60.56 3n04 s VAL 603 Cb -0.11 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 3n04 s VAL 603 CO 0.01 -0.25 0.57 -2.16 0.00 0.00 0.00 175.10 173.27 3n04 s PRO 604 N 1.27 3.65 0.30 2.72 0.04 -1.26 -1.70 135.00 140.02 3n04 s PRO 604 Ca -0.01 0.06 -0.19 0.00 0.04 0.00 0.00 61.00 60.90 3n04 s PRO 604 Cb -0.20 -2.62 0.03 0.00 0.04 0.00 0.00 34.50 31.74 3n04 s PRO 604 CO -0.01 0.20 0.71 -0.48 0.04 0.00 0.00 177.00 177.46 3n04 s LEU 605 N -3.55 -0.12 -0.06 -3.56 0.05 0.21 -4.70 118.68 106.96 3n04 s LEU 605 Ca 0.45 -0.79 0.03 0.00 0.05 0.00 0.00 54.13 53.87 3n04 s LEU 605 Cb -0.11 2.65 0.01 0.00 -2.05 0.00 0.00 46.19 46.70 3n04 s LEU 605 CO 0.30 -1.42 -0.13 -0.36 -0.55 0.00 0.00 176.35 174.19 3n04 s PHE 606 N -3.51 1.49 -0.22 3.48 0.08 -1.26 -0.30 117.98 117.73 3n04 s PHE 606 Ca 0.13 -0.51 -0.11 0.00 0.12 0.00 0.00 56.93 56.56 3n04 s PHE 606 Cb -0.05 -1.06 -0.05 0.00 -0.57 0.00 0.00 43.02 41.28 3n04 s PHE 606 CO 0.09 -0.24 0.19 0.42 -0.10 0.00 0.00 175.22 175.58 3n04 s ILE 607 N 0.48 5.34 0.45 0.64 1.01 -0.36 -4.29 121.20 124.47 3n04 s ILE 607 Ca -0.11 0.27 -0.25 0.00 0.00 0.00 0.00 60.65 60.56 3n04 s ILE 607 Cb -0.14 -3.53 -0.08 0.00 0.01 0.00 0.00 42.46 38.71 3n04 s ILE 607 CO 0.03 0.35 1.41 -0.13 0.00 0.00 0.00 174.94 176.61 3n04 s ARG 608 N 0.94 3.70 0.04 2.79 0.52 0.11 -0.98 118.95 126.08 3n04 s ARG 608 Ca 0.10 2.39 -0.38 0.00 -0.52 0.00 0.00 55.73 57.31 3n04 s ARG 608 Cb -0.13 -2.65 -0.19 0.00 0.52 0.00 0.00 34.95 32.50 3n04 s ARG 608 CO 0.04 -0.80 1.17 0.45 0.02 0.00 0.00 175.30 176.19 3n04 n SER 609 N -0.18 0.66 -0.20 0.23 2.88 -0.82 -1.82 113.62 114.37 3n04 n SER 609 Ca 0.05 1.14 -0.03 0.00 -1.33 0.00 0.00 58.87 58.71 3n04 n SER 609 Cb 0.42 -1.03 -0.01 0.00 -0.75 0.00 0.00 64.21 62.84 3n04 n SER 609 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3n04 n GLY 610 N 1.92 0.59 3.34 0.46 0.00 -1.26 -5.03 105.19 105.21 3n04 n GLY 610 Ca 0.19 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 3n04 n GLY 610 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n04 s LYS 611 N -1.64 1.34 0.08 1.61 -0.14 -0.76 -4.72 119.74 115.52 3n04 s LYS 611 Ca 0.00 -1.64 -0.10 0.00 -1.36 0.00 0.00 55.97 52.87 3n04 s LYS 611 Cb 0.00 -0.88 0.01 0.00 -1.68 0.00 0.00 37.83 35.27 3n04 s LYS 611 CO 0.00 0.04 0.23 0.00 -0.76 0.00 0.00 175.35 174.86 3n04 s ILE 613 N -3.49 1.47 0.25 0.00 -4.36 -0.31 -4.69 121.20 110.07 3n04 s ILE 613 Ca 0.02 -1.29 -0.22 0.00 -0.26 0.00 0.00 60.65 58.90 3n04 s ILE 613 Cb 0.03 -1.33 -0.09 0.00 1.25 0.00 0.00 42.46 42.33 3n04 s ILE 613 CO -0.09 0.00 0.80 -2.16 0.24 0.00 0.00 174.94 173.73 3n04 s PRO 614 N -1.50 4.39 -0.07 0.37 0.04 -1.26 -0.96 135.00 136.01 3n04 s PRO 614 Ca 0.04 1.05 0.01 0.00 0.04 0.00 0.00 61.00 62.14 3n04 s PRO 614 Cb -0.09 -2.89 0.02 0.00 0.04 0.00 0.00 34.50 31.58 3n04 s PRO 614 CO 0.03 0.38 -0.07 0.08 0.04 0.00 0.00 177.00 177.45 3n04 s VAL 615 N -1.51 0.84 0.49 -0.36 1.01 0.25 -4.50 120.40 116.62 3n04 s VAL 615 Ca 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 3n04 s VAL 615 Cb -0.18 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.37 3n04 s VAL 615 CO 0.22 0.31 0.73 0.00 0.00 0.00 0.00 175.10 176.37 3n04 s ALA 616 N 1.17 3.68 0.60 5.51 0.00 -0.57 -1.70 121.76 130.45 3n04 s ALA 616 Ca -0.06 -1.02 -0.16 0.00 0.00 0.00 0.00 51.96 50.71 3n04 s ALA 616 Cb -0.14 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.72 3n04 s ALA 616 CO -0.02 -0.52 1.08 -1.21 0.00 0.00 0.00 175.76 175.10 3n04 s GLU 617 N -4.68 3.17 0.18 0.00 0.41 -1.26 -4.56 118.70 111.97 3n04 s GLU 617 Ca 0.51 1.33 -0.31 0.00 -0.41 0.00 0.00 54.97 56.09 3n04 s GLU 617 Cb -0.10 -2.00 -0.09 0.00 -1.78 0.00 0.00 34.13 30.15 3n04 s GLU 617 CO 0.39 -0.94 1.42 0.00 -0.49 0.00 0.00 175.26 175.64 3n04 s ALA 618 N -2.29 3.62 0.19 5.21 0.00 -1.26 -4.65 121.76 122.59 3n04 s ALA 618 Ca 0.66 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.89 3n04 s ALA 618 Cb -0.19 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 3n04 s ALA 618 CO 0.36 -0.66 -0.05 0.00 0.00 0.00 0.00 175.76 175.40 3n04 s ALA 619 N 0.57 1.65 -1.46 0.00 0.00 -1.26 -5.04 121.76 116.23 3n04 s ALA 619 Ca 0.62 -1.64 0.25 0.00 0.00 0.00 0.00 51.96 51.19 3n04 s ALA 619 Cb -0.40 0.27 0.45 0.00 0.00 0.00 0.00 23.12 23.45 3n04 s ALA 619 CO 0.36 -0.17 1.37 0.39 0.00 0.00 0.00 175.76 177.71 3n04 n GLU 620 N -0.32 0.52 -3.61 0.00 1.02 -1.26 -4.73 120.64 112.27 3n04 n GLU 620 Ca -0.07 -0.35 -0.11 0.00 -0.02 0.00 0.00 57.16 56.61 3n04 n GLU 620 Cb 0.62 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.51 3n04 n GLU 620 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3n04 h VAL 622 N 2.33 0.97 -0.85 0.00 2.07 -1.91 -2.01 116.25 116.85 3n04 h VAL 622 Ca -0.34 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 67.01 3n04 h VAL 622 Cb 1.26 0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 3n04 h VAL 622 CO 0.46 0.14 0.55 0.50 0.02 0.00 0.00 177.57 179.24 3n04 h LYS 623 N 0.77 0.80 -0.10 1.57 3.64 -1.97 -2.70 116.57 118.58 3n04 h LYS 623 Ca 0.33 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3n04 h LYS 623 Cb 0.21 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3n04 h LYS 623 CO -0.19 0.53 0.00 -0.25 -2.27 0.00 0.00 179.45 177.27 3n04 n ASP 624 N -4.52 1.42 -4.69 4.20 8.00 -0.76 -4.89 116.55 115.31 3n04 n ASP 624 Ca 0.14 -1.59 -0.42 0.00 0.71 0.00 0.00 54.79 53.63 3n04 n ASP 624 Cb 0.32 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 3n04 n ASP 624 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3n04 s ILE 625 N -1.88 3.14 -0.65 0.53 1.01 -1.02 -4.88 121.20 117.45 3n04 s ILE 625 Ca 0.34 0.59 -0.25 0.00 0.00 0.00 0.00 60.65 61.34 3n04 s ILE 625 Cb 0.18 -3.38 0.05 0.00 0.01 0.00 0.00 42.46 39.32 3n04 s ILE 625 CO 0.28 0.00 1.08 -0.62 0.00 0.00 0.00 174.94 175.69 3n04 s ASP 626 N 2.25 6.23 0.00 3.58 2.15 -1.26 -4.86 116.67 124.76 3n04 s ASP 626 Ca 0.72 -0.56 0.21 0.00 0.43 0.00 0.00 52.55 53.35 3n04 s ASP 626 Cb -0.38 -2.48 0.55 0.00 -0.30 0.00 0.00 42.92 40.30 3n04 s ASP 626 CO 0.31 -1.52 1.45 0.35 -0.17 0.00 0.00 175.17 175.59 3n04 n THR 627 N 6.21 0.42 0.36 1.71 -2.24 -1.26 -4.61 114.28 114.88 3n04 n THR 627 Ca 0.01 -0.59 -0.18 0.00 -2.27 0.00 0.00 64.05 61.02 3n04 n THR 627 Cb 0.47 0.65 -0.09 0.00 -2.10 0.00 0.00 70.33 69.27 3n04 n THR 627 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3n04 h GLU 628 N 3.41 -0.87 -4.46 -0.78 4.57 -2.03 -3.51 114.58 110.91 3n04 h GLU 628 Ca 0.00 0.06 -0.35 0.00 -1.18 0.00 0.00 59.36 57.89 3n04 h GLU 628 Cb 0.75 0.20 -0.29 0.00 -0.16 0.00 0.00 28.75 29.26 3n04 h GLU 628 CO 0.00 -0.56 -0.76 1.21 -1.18 0.00 0.00 179.01 177.71 3n04 s ASN 629 N -4.43 0.78 -0.13 1.04 3.84 -1.26 -5.26 114.94 109.53 3n04 s ASN 629 Ca -0.17 -0.12 -0.03 0.00 0.21 0.00 0.00 52.86 52.75 3n04 s ASN 629 Cb 0.03 -0.09 -0.03 0.00 -0.55 0.00 0.00 41.25 40.61 3n04 s ASN 629 CO 0.60 0.08 -0.03 -1.58 -2.79 0.00 0.00 177.10 173.39 3n04 s GLN 631 N -0.15 3.38 -0.22 0.43 0.74 -0.69 -5.02 119.66 118.13 3n04 s GLN 631 Ca 0.02 -0.48 -0.11 0.00 0.05 0.00 0.00 55.36 54.85 3n04 s GLN 631 Cb -0.03 -2.86 -0.05 0.00 1.10 0.00 0.00 33.01 31.18 3n04 s GLN 631 CO -0.00 0.43 0.17 -0.51 -0.55 0.00 0.00 175.29 174.82 3n04 s LEU 632 N -0.14 4.16 -0.05 3.68 1.43 -1.26 0.86 118.68 127.36 3n04 s LEU 632 Ca 0.03 0.20 0.06 0.00 -1.03 0.00 0.00 54.13 53.39 3n04 s LEU 632 Cb -0.13 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 3n04 s LEU 632 CO 0.02 0.10 -0.25 -0.63 0.23 0.00 0.00 176.35 175.83 3n04 s ILE 633 N 0.78 2.01 -0.38 -0.59 -1.09 -0.13 -4.97 121.20 116.83 3n04 s ILE 633 Ca 0.09 -1.05 0.00 0.00 -2.23 0.00 0.00 60.65 57.45 3n04 s ILE 633 Cb -0.13 -1.69 0.00 0.00 -1.58 0.00 0.00 42.46 39.06 3n04 s ILE 633 CO 0.02 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 174.90 3n04 n GLY 634 N 2.84 0.20 3.72 6.18 0.00 -1.26 -1.16 105.19 115.70 3n04 n GLY 634 Ca -0.17 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 3n04 n GLY 634 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3n04 s TYR 635 N -1.05 3.48 0.33 1.61 2.02 -0.62 -5.00 117.35 118.12 3n04 s TYR 635 Ca 0.00 0.79 -0.29 0.00 -0.37 0.00 0.00 57.07 57.20 3n04 s TYR 635 Cb 0.00 -2.50 -0.12 0.00 -0.40 0.00 0.00 41.96 38.94 3n04 s TYR 635 CO 0.00 0.16 1.37 0.39 -1.57 0.00 0.00 175.55 175.90 3n04 n GLU 636 N 3.77 2.28 -0.15 -0.62 1.02 -1.26 -2.51 120.64 123.18 3n04 n GLU 636 Ca -0.08 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 3n04 n GLU 636 Cb 0.52 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 3n04 n GLU 636 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n04 n GLY 637 N 1.01 1.25 3.91 0.62 0.00 0.52 -5.02 105.19 107.47 3n04 n GLY 637 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 3n04 n GLY 637 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3n04 s SER 638 N -2.98 5.96 0.13 1.61 1.04 -1.04 -4.84 113.70 113.57 3n04 s SER 638 Ca 0.00 0.87 0.10 0.00 0.48 0.00 0.00 55.95 57.40 3n04 s SER 638 Cb 0.00 -2.02 -0.04 0.00 0.10 0.00 0.00 66.02 64.06 3n04 s SER 638 CO 0.00 -0.82 -0.26 -0.44 0.98 0.00 0.00 173.24 172.71 3n04 s SER 639 N -4.20 3.14 -0.05 7.02 0.01 -1.26 -1.33 113.70 117.03 3n04 s SER 639 Ca 0.51 -0.74 0.02 0.00 1.31 0.00 0.00 55.95 57.05 3n04 s SER 639 Cb -0.10 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 65.93 3n04 s SER 639 CO 0.46 0.15 -0.11 -0.47 0.41 0.00 0.00 173.24 173.68 3n04 s TYR 640 N -1.10 1.29 -0.52 2.43 5.04 0.51 -4.55 117.35 120.45 3n04 s TYR 640 Ca 0.12 -0.43 -0.23 0.00 -2.44 0.00 0.00 57.07 54.09 3n04 s TYR 640 Cb -0.10 -0.95 0.04 0.00 0.35 0.00 0.00 41.96 41.30 3n04 s TYR 640 CO 0.06 -0.23 0.87 0.99 -1.34 0.00 0.00 175.55 175.91 3n04 s THR 641 N 0.57 4.50 -0.20 4.34 2.01 -1.26 0.30 115.64 125.91 3n04 s THR 641 Ca -0.12 0.27 -0.21 0.00 0.31 0.00 0.00 61.69 61.94 3n04 s THR 641 Cb -0.14 -4.46 -0.02 0.00 0.01 0.00 0.00 72.50 67.89 3n04 s THR 641 CO 0.03 -0.97 0.66 -0.22 -0.69 0.00 0.00 174.62 173.42 3n04 s LEU 642 N 3.65 4.14 -0.19 4.42 2.96 0.12 -4.90 118.68 128.89 3n04 s LEU 642 Ca 0.29 0.87 -0.18 0.00 -0.22 0.00 0.00 54.13 54.90 3n04 s LEU 642 Cb -0.13 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.59 3n04 s LEU 642 CO 0.20 -0.29 0.48 -0.47 -1.32 0.00 0.00 176.35 174.95 3n04 s TYR 643 N 1.96 3.39 -0.06 5.38 5.04 -1.26 -0.99 117.35 130.82 3n04 s TYR 643 Ca 0.30 0.75 -0.04 0.00 -2.44 0.00 0.00 57.07 55.64 3n04 s TYR 643 Cb -0.16 -2.62 0.02 0.00 0.35 0.00 0.00 41.96 39.55 3n04 s TYR 643 CO 0.10 -0.04 0.14 -1.83 -1.34 0.00 0.00 175.55 172.59 3n04 s GLU 644 N 1.40 0.15 0.00 4.97 -1.05 0.56 -4.18 118.70 120.56 3n04 s GLU 644 Ca 0.23 0.24 0.00 0.00 -0.15 0.00 0.00 54.97 55.29 3n04 s GLU 644 Cb -0.15 0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.56 3n04 s GLU 644 CO 0.09 -0.05 0.00 -0.40 0.95 0.00 0.00 175.26 175.85 3n04 n ASP 645 N 3.27 0.78 0.07 0.83 5.68 -1.26 -4.39 116.55 121.53 3n04 n ASP 645 Ca -0.15 -0.46 0.12 0.00 -0.50 0.00 0.00 54.79 53.79 3n04 n ASP 645 Cb 0.57 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 41.01 3n04 n ASP 645 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3n04 n ASP 646 N -1.03 0.45 0.00 -1.12 5.75 -1.26 -4.89 116.55 114.45 3n04 n ASP 646 Ca 0.00 0.58 0.00 0.00 -0.01 0.00 0.00 54.79 55.36 3n04 n ASP 646 Cb 0.00 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 39.41 3n04 n ASP 646 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3n04 n GLY 647 N 0.61 0.86 0.26 6.12 0.00 -1.26 -4.82 105.19 106.96 3n04 n GLY 647 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 3n04 n GLY 647 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3n04 n ILE 648 N -2.00 0.46 -2.93 -0.61 5.41 -1.26 -1.18 119.36 117.25 3n04 n ILE 648 Ca 0.00 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.59 3n04 n ILE 648 Cb 0.00 -1.05 0.00 0.00 -0.71 0.00 0.00 39.64 37.88 3n04 n ILE 648 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 3n04 n HIS 649 N -2.94 -1.47 -1.78 1.39 8.25 -1.26 -2.24 115.22 115.17 3n04 n HIS 649 Ca -0.15 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.26 3n04 n HIS 649 Cb 0.64 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.89 3n04 n HIS 649 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3n04 n LYS 650 N -0.49 2.31 -2.00 -0.41 5.02 -1.08 -4.73 118.16 116.77 3n04 n LYS 650 Ca 0.00 -3.61 -0.41 0.00 -2.02 0.00 0.00 58.31 52.27 3n04 n LYS 650 Cb 0.00 -1.84 -0.00 0.00 -0.02 0.00 0.00 35.03 33.17 3n04 n LYS 650 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3n04 n ASP 651 N -0.94 6.35 0.20 4.39 2.03 -1.26 -4.74 116.55 122.58 3n04 n ASP 651 Ca 0.28 -3.01 0.08 0.00 0.52 0.00 0.00 54.79 52.66 3n04 n ASP 651 Cb 0.80 -1.48 0.30 0.00 -0.72 0.00 0.00 41.12 40.02 3n04 n ASP 651 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3n04 h TYR 652 N 5.31 0.00 -0.07 -0.67 0.05 -2.03 -3.34 116.97 116.23 3n04 h TYR 652 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.36 3n04 h TYR 652 Cb 0.48 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.22 3n04 h TYR 652 CO 1.48 0.29 0.00 -0.25 -1.05 0.00 0.00 178.16 178.63 3n04 n ASP 653 N -3.31 2.20 -4.69 3.88 9.92 -1.26 -4.92 116.55 118.37 3n04 n ASP 653 Ca 0.01 -1.74 -0.44 0.00 -0.53 0.00 0.00 54.79 52.09 3n04 n ASP 653 Cb 0.53 -0.03 -0.04 0.00 -0.64 0.00 0.00 41.12 40.95 3n04 n ASP 653 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3n04 n LYS 654 N 0.71 2.55 -0.31 -1.24 4.76 -1.26 -4.88 118.16 118.50 3n04 n LYS 654 Ca 0.17 0.93 0.15 0.00 -2.87 0.00 0.00 58.31 56.69 3n04 n LYS 654 Cb 0.46 -2.77 0.40 0.00 -1.84 0.00 0.00 35.03 31.27 3n04 n LYS 654 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 3n04 h LYS 655 N 7.55 0.61 0.00 1.97 5.09 -1.96 -1.75 116.57 128.08 3n04 h LYS 655 Ca -0.46 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.25 3n04 h LYS 655 Cb 1.23 -0.14 0.00 0.00 0.10 0.00 0.00 32.23 33.42 3n04 h LYS 655 CO 0.93 0.40 0.00 0.39 -2.09 0.00 0.00 179.45 179.09 3n04 n GLU 656 N -4.65 0.09 0.29 0.07 -0.58 -1.26 -1.72 120.64 112.88 3n04 n GLU 656 Ca 0.21 0.49 0.19 0.00 -0.42 0.00 0.00 57.16 57.63 3n04 n GLU 656 Cb 0.62 -1.73 0.81 0.00 -0.57 0.00 0.00 31.44 30.56 3n04 n GLU 656 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3n04 h ASN 657 N 0.00 0.00 -3.32 1.62 2.35 -1.52 -3.44 115.58 111.27 3n04 h ASN 657 Ca 0.00 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.09 3n04 h ASN 657 Cb 0.11 0.00 -0.27 0.00 0.05 0.00 0.00 38.32 38.22 3n04 h ASN 657 CO 0.00 0.00 -0.76 -0.31 -1.65 0.00 0.00 177.43 174.71 3n04 s TYR 658 N -3.78 2.81 -0.05 1.19 2.02 -0.70 -0.32 117.35 118.53 3n04 s TYR 658 Ca -0.00 -0.63 0.01 0.00 -0.37 0.00 0.00 57.07 56.07 3n04 s TYR 658 Cb 0.10 -1.84 0.02 0.00 -0.40 0.00 0.00 41.96 39.84 3n04 s TYR 658 CO 0.51 -0.21 -0.04 0.50 -1.57 0.00 0.00 175.55 174.75 3n04 s ARG 659 N 0.34 0.79 -0.22 -0.62 3.52 -0.16 -4.98 118.95 117.63 3n04 s ARG 659 Ca -0.11 -0.08 -0.23 0.00 -0.13 0.00 0.00 55.73 55.18 3n04 s ARG 659 Cb -0.16 -0.84 -0.01 0.00 -1.56 0.00 0.00 34.95 32.38 3n04 s ARG 659 CO 0.06 -0.10 0.74 0.08 -0.81 0.00 0.00 175.30 175.26 3n04 s VAL 660 N 1.01 4.92 0.01 7.11 1.01 -1.26 0.11 120.40 133.31 3n04 s VAL 660 Ca -0.10 1.39 -0.00 0.00 0.00 0.00 0.00 61.98 63.27 3n04 s VAL 660 Cb -0.14 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 3n04 s VAL 660 CO -0.00 0.01 0.09 -0.76 0.00 0.00 0.00 175.10 174.44 3n04 s LEU 661 N 2.41 3.92 -0.03 3.92 1.43 0.15 -4.95 118.68 125.53 3n04 s LEU 661 Ca 0.32 0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 53.56 3n04 s LEU 661 Cb -0.16 -2.33 0.03 0.00 0.03 0.00 0.00 46.19 43.76 3n04 s LEU 661 CO 0.09 0.26 0.02 0.42 0.23 0.00 0.00 176.35 177.37 3n04 s THR 662 N -1.23 0.08 -2.17 5.49 -4.23 -1.26 -0.37 115.64 111.95 3n04 s THR 662 Ca 0.24 0.18 0.31 0.00 -1.18 0.00 0.00 61.69 61.24 3n04 s THR 662 Cb -0.12 -0.22 0.79 0.00 1.34 0.00 0.00 72.50 74.29 3n04 s THR 662 CO 0.15 0.14 2.06 1.17 -0.54 0.00 0.00 174.62 177.61