#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i63 s MET 3 N 0.00 2.26 -0.05 0.00 1.00 -1.26 -5.13 119.30 116.13 3i63 s MET 3 Ca 0.00 -0.90 -0.15 0.00 0.00 0.00 0.00 55.69 54.64 3i63 s MET 3 Cb 0.00 -2.33 -0.05 0.00 0.00 0.00 0.00 34.83 32.45 3i63 s MET 3 CO 0.00 0.55 0.39 -1.01 0.00 0.00 0.00 175.02 174.96 3i63 s HIS 4 N -1.03 3.65 0.72 -0.03 3.76 -1.26 -5.05 115.29 116.06 3i63 s HIS 4 Ca 0.17 0.90 -0.13 0.00 -0.15 0.00 0.00 55.06 55.86 3i63 s HIS 4 Cb -0.11 -2.33 0.03 0.00 1.11 0.00 0.00 32.58 31.28 3i63 s HIS 4 CO 0.08 0.51 1.11 -1.25 -0.85 0.00 0.00 174.74 174.34 3i63 s PRO 5 N -0.57 2.50 0.33 8.40 0.04 -1.26 -4.89 135.00 139.55 3i63 s PRO 5 Ca 0.23 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.61 3i63 s PRO 5 Cb -0.16 -1.92 0.66 0.00 0.04 0.00 0.00 34.50 33.12 3i63 s PRO 5 CO 0.11 -1.47 1.92 -0.09 0.04 0.00 0.00 177.00 177.51 3i63 h ARG 6 N -0.54 0.85 0.00 4.56 2.43 -2.00 -1.51 114.38 118.18 3i63 h ARG 6 Ca -0.45 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3i63 h ARG 6 Cb 1.24 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3i63 h ARG 6 CO 0.52 0.56 -0.01 1.57 -1.51 0.00 0.00 179.97 181.11 3i63 h LYS 7 N 0.87 0.00 0.00 0.20 2.10 -2.00 0.16 116.57 117.90 3i63 h LYS 7 Ca 0.37 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.97 3i63 h LYS 7 Cb 0.32 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.64 3i63 h LYS 7 CO -0.14 0.01 -0.51 -0.44 -2.00 0.00 0.00 179.45 176.36 3i63 h ASP 8 N 0.00 0.00 0.00 7.07 3.32 -1.62 -3.36 116.42 121.82 3i63 h ASP 8 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i63 h ASP 8 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3i63 h ASP 8 CO 0.00 0.25 0.00 -2.67 -1.72 0.00 0.00 179.24 175.10 3i63 n TRP 9 N -3.06 0.00 -0.33 4.55 4.27 -0.90 -4.80 117.44 117.18 3i63 n TRP 9 Ca 0.01 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.69 3i63 n TRP 9 Cb 0.65 0.00 0.23 0.00 -1.36 0.00 0.00 31.31 30.82 3i63 n TRP 9 CO 0.00 0.00 0.00 -0.92 -2.29 0.00 0.00 177.69 174.48 3i63 h TYR 10 N 0.00 0.99 -0.52 -2.67 3.20 -0.85 -2.69 116.97 114.44 3i63 h TYR 10 Ca 0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 3i63 h TYR 10 Cb 0.00 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 37.95 3i63 h TYR 10 CO 0.00 0.35 0.21 0.93 -1.64 0.00 0.00 178.16 178.01 3i63 h GLU 11 N 0.85 0.74 0.00 1.82 4.39 -1.85 -1.31 114.58 119.22 3i63 h GLU 11 Ca 0.47 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 60.05 3i63 h GLU 11 Cb 0.53 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3i63 h GLU 11 CO -0.29 0.60 -0.12 -0.07 -1.16 0.00 0.00 179.01 177.97 3i63 h LEU 12 N 0.73 0.00 -1.74 1.33 3.38 -1.84 -1.56 115.31 115.61 3i63 h LEU 12 Ca 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3i63 h LEU 12 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3i63 h LEU 12 CO -0.02 0.12 -0.15 0.71 0.09 0.00 0.00 178.44 179.19 3i63 h THR 13 N 0.00 0.61 -0.12 0.22 1.35 -1.28 -2.88 112.91 110.81 3i63 h THR 13 Ca -0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3i63 h THR 13 Cb 0.22 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 3i63 h THR 13 CO 0.02 0.15 0.00 -2.11 -0.25 0.00 0.00 175.52 173.33 3i63 n ARG 14 N -3.63 2.36 -2.43 4.72 1.85 -0.84 -4.75 116.66 113.94 3i63 n ARG 14 Ca -0.01 -2.31 -0.43 0.00 -1.00 0.00 0.00 57.85 54.10 3i63 n ARG 14 Cb 0.28 -1.43 0.00 0.00 -1.05 0.00 0.00 32.46 30.26 3i63 n ARG 14 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i63 n ALA 15 N -0.66 4.95 -0.39 2.89 0.00 -0.65 -4.51 120.51 122.14 3i63 n ALA 15 Ca 0.13 -4.24 0.00 0.00 0.00 0.00 0.00 53.44 49.33 3i63 n ALA 15 Cb 0.58 -3.08 0.00 0.00 0.00 0.00 0.00 19.45 16.95 3i63 n ALA 15 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i63 n THR 16 N 3.93 0.03 -2.44 0.00 -2.24 -1.26 -5.01 114.28 107.29 3i63 n THR 16 Ca 0.41 -0.32 -0.39 0.00 -2.27 0.00 0.00 64.05 61.48 3i63 n THR 16 Cb 0.38 1.35 -0.04 0.00 -2.10 0.00 0.00 70.33 69.93 3i63 n THR 16 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3i63 s ASN 17 N -0.03 6.92 0.13 3.42 -0.87 -1.26 -5.06 114.94 118.18 3i63 s ASN 17 Ca 0.00 2.24 -0.05 0.00 -1.57 0.00 0.00 52.86 53.47 3i63 s ASN 17 Cb 0.00 -2.61 -0.02 0.00 -0.02 0.00 0.00 41.25 38.60 3i63 s ASN 17 CO 0.00 -0.39 0.16 -1.66 -2.57 0.00 0.00 177.10 172.64 3i63 s TRP 18 N -1.37 0.51 -0.49 2.20 -2.14 -1.26 -5.12 118.94 111.27 3i63 s TRP 18 Ca 0.52 -0.92 -0.26 0.00 2.66 0.00 0.00 56.10 58.11 3i63 s TRP 18 Cb -0.29 -0.23 0.03 0.00 -3.10 0.00 0.00 33.47 29.88 3i63 s TRP 18 CO 0.37 -0.58 0.96 0.99 -2.66 0.00 0.00 176.95 176.03 3i63 s THR 19 N -3.97 4.40 0.65 0.66 2.01 -1.26 -5.04 115.64 113.08 3i63 s THR 19 Ca 0.16 0.67 -0.16 0.00 0.31 0.00 0.00 61.69 62.67 3i63 s THR 19 Cb 0.05 -4.49 -0.01 0.00 0.01 0.00 0.00 72.50 68.06 3i63 s THR 19 CO -0.03 -0.96 1.13 -2.84 -0.69 0.00 0.00 174.62 171.24 3i63 s PRO 20 N 3.94 2.81 0.00 4.92 0.02 -1.26 -4.95 135.00 140.48 3i63 s PRO 20 Ca 0.36 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.89 3i63 s PRO 20 Cb -0.10 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.47 3i63 s PRO 20 CO 0.25 -1.26 0.00 0.43 -0.33 0.00 0.00 177.00 176.09 3i63 n SER 21 N -2.23 1.48 0.06 2.53 7.64 -1.26 -4.77 113.62 117.07 3i63 n SER 21 Ca 0.11 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.10 3i63 n SER 21 Cb 0.51 0.08 -0.05 0.00 -1.01 0.00 0.00 64.21 63.75 3i63 n SER 21 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3i63 n TYR 22 N -1.41 0.63 -4.39 1.43 4.01 -1.26 -4.82 117.16 111.35 3i63 n TYR 22 Ca 0.00 0.18 -0.20 0.00 -0.16 0.00 0.00 57.90 57.73 3i63 n TYR 22 Cb 0.16 -0.79 -0.10 0.00 -0.31 0.00 0.00 39.34 38.30 3i63 n TYR 22 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3i63 s VAL 23 N -3.40 1.46 0.70 -0.72 -7.23 -1.26 -5.16 120.40 104.78 3i63 s VAL 23 Ca -0.03 -2.10 -0.11 0.00 -1.81 0.00 0.00 61.98 57.93 3i63 s VAL 23 Cb 0.11 -2.37 0.01 0.00 0.56 0.00 0.00 36.38 34.70 3i63 s VAL 23 CO 0.83 -0.35 1.09 0.42 -0.31 0.00 0.00 175.10 176.78 3i63 s THR 24 N -3.14 3.59 0.23 5.32 -4.23 -1.26 -4.73 115.64 111.42 3i63 s THR 24 Ca 0.28 0.50 -0.08 0.00 -1.18 0.00 0.00 61.69 61.21 3i63 s THR 24 Cb 0.04 -3.51 0.20 0.00 1.34 0.00 0.00 72.50 70.57 3i63 s THR 24 CO 0.10 -0.67 1.90 -0.08 -0.54 0.00 0.00 174.62 175.33 3i63 h GLU 25 N -0.62 1.11 -0.39 3.99 4.81 -1.98 -0.38 114.58 121.13 3i63 h GLU 25 Ca -0.45 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 58.62 3i63 h GLU 25 Cb 1.25 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 3i63 h GLU 25 CO 0.64 0.74 -0.15 1.49 -0.73 0.00 0.00 179.01 180.99 3i63 h GLU 26 N 1.15 0.71 -0.84 1.92 4.57 -1.93 0.17 114.58 120.32 3i63 h GLU 26 Ca 0.32 -0.24 0.01 0.00 -1.18 0.00 0.00 59.36 58.26 3i63 h GLU 26 Cb -0.12 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.38 3i63 h GLU 26 CO -0.07 0.82 0.55 1.96 -1.18 0.00 0.00 179.01 181.09 3i63 h GLN 27 N 0.64 1.12 -0.07 1.92 4.20 -1.76 -2.48 115.11 118.68 3i63 h GLN 27 Ca 0.10 -0.07 -0.20 0.00 0.06 0.00 0.00 58.65 58.54 3i63 h GLN 27 Cb 0.61 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 3i63 h GLN 27 CO 0.04 0.75 -0.78 1.25 -0.67 0.00 0.00 178.83 179.42 3i63 h LEU 28 N 1.15 0.54 -6.35 1.46 5.85 -0.69 -3.37 115.31 113.90 3i63 h LEU 28 Ca 0.31 -0.37 -0.59 0.00 0.84 0.00 0.00 57.88 58.06 3i63 h LEU 28 Cb -0.12 -0.16 -0.41 0.00 0.37 0.00 0.00 40.66 40.34 3i63 h LEU 28 CO -0.07 1.13 -0.73 0.49 -0.34 0.00 0.00 178.44 178.92 3i63 n PHE 29 N -3.83 2.29 -2.39 1.25 3.72 0.56 -5.00 117.46 114.07 3i63 n PHE 29 Ca -0.05 -3.98 -0.37 0.00 -0.05 0.00 0.00 57.45 53.00 3i63 n PHE 29 Cb 0.74 -0.45 -0.02 0.00 -0.94 0.00 0.00 39.48 38.80 3i63 n PHE 29 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3i63 s PRO 30 N -1.77 3.96 0.30 -1.08 0.04 -0.94 -4.64 135.00 130.87 3i63 s PRO 30 Ca 0.35 1.67 0.01 0.00 0.04 0.00 0.00 61.00 63.07 3i63 s PRO 30 Cb 0.11 -2.49 0.46 0.00 0.04 0.00 0.00 34.50 32.62 3i63 s PRO 30 CO -0.08 -0.35 1.80 1.49 0.04 0.00 0.00 177.00 179.90 3i63 h GLU 31 N 2.29 0.63 0.00 4.56 4.57 -1.96 0.24 114.58 124.91 3i63 h GLU 31 Ca -0.49 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 57.53 3i63 h GLU 31 Cb 1.23 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3i63 h GLU 31 CO 0.61 0.68 -0.01 0.07 -1.18 0.00 0.00 179.01 179.18 3i63 h ARG 32 N 0.60 0.00 0.00 1.92 0.11 -1.97 0.13 114.38 115.16 3i63 h ARG 32 Ca 0.12 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.97 3i63 h ARG 32 Cb 0.43 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.46 3i63 h ARG 32 CO 0.02 0.01 -1.91 -1.33 0.10 0.00 0.00 179.97 176.87 3i63 n MET 33 N -3.15 1.67 -0.01 0.08 2.81 -0.16 -3.98 117.12 114.37 3i63 n MET 33 Ca -0.01 -0.02 -0.21 0.00 -1.81 0.00 0.00 57.70 55.65 3i63 n MET 33 Cb 0.19 -1.35 -0.14 0.00 -0.71 0.00 0.00 33.22 31.21 3i63 n MET 33 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3i63 n SER 34 N -2.46 2.10 -0.93 7.83 2.88 0.66 0.24 113.62 123.95 3i63 n SER 34 Ca -0.20 0.21 -0.11 0.00 -1.33 0.00 0.00 58.87 57.44 3i63 n SER 34 Cb 0.89 -0.85 -0.04 0.00 -0.75 0.00 0.00 64.21 63.47 3i63 n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i63 n GLY 35 N 1.95 0.87 0.00 0.46 0.00 0.45 -2.16 105.19 106.77 3i63 n GLY 35 Ca -0.33 -0.51 0.07 0.00 0.00 0.00 0.00 46.02 45.25 3i63 n GLY 35 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i63 n HIS 36 N -3.03 0.00 -2.86 1.61 1.44 -1.26 -4.61 115.22 106.51 3i63 n HIS 36 Ca -0.11 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.44 3i63 n HIS 36 Cb 0.42 -0.17 -0.01 0.00 0.12 0.00 0.00 29.99 30.35 3i63 n HIS 36 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3i63 n MET 37 N -1.17 -2.79 -0.86 -1.40 0.00 -1.26 -1.35 117.12 108.30 3i63 n MET 37 Ca 0.09 0.45 0.00 0.00 0.00 0.00 0.00 57.70 58.24 3i63 n MET 37 Cb 0.09 -5.08 0.00 0.00 0.00 0.00 0.00 33.22 28.23 3i63 n MET 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i63 n GLY 38 N -0.91 0.93 3.68 3.03 0.00 -1.26 -5.00 105.19 105.66 3i63 n GLY 38 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3i63 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i63 s ILE 39 N -3.72 4.03 0.76 -0.61 1.01 -0.46 -4.98 121.20 117.24 3i63 s ILE 39 Ca 0.00 1.35 -0.11 0.00 0.00 0.00 0.00 60.65 61.90 3i63 s ILE 39 Cb 0.00 -3.87 0.05 0.00 0.01 0.00 0.00 42.46 38.65 3i63 s ILE 39 CO 0.00 -0.03 1.09 -2.84 0.00 0.00 0.00 174.94 173.15 3i63 s PRO 40 N 2.67 2.36 0.16 2.79 0.02 -1.26 -4.91 135.00 136.84 3i63 s PRO 40 Ca 0.59 1.12 -0.16 0.00 0.02 0.00 0.00 61.00 62.58 3i63 s PRO 40 Cb -0.27 -1.91 0.10 0.00 0.02 0.00 0.00 34.50 32.43 3i63 s PRO 40 CO 0.22 -1.55 1.70 1.25 -0.33 0.00 0.00 177.00 178.29 3i63 h LEU 41 N -1.06 -0.17 -1.76 -5.54 7.12 -1.94 0.11 115.31 112.07 3i63 h LEU 41 Ca -0.44 0.09 0.15 0.00 0.13 0.00 0.00 57.88 57.81 3i63 h LEU 41 Cb 1.23 0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 41.48 3i63 h LEU 41 CO 0.52 -0.05 0.45 -0.08 -0.13 0.00 0.00 178.44 179.15 3i63 h GLU 42 N 0.10 0.23 0.00 1.25 4.57 -1.94 0.82 114.58 119.61 3i63 h GLU 42 Ca 0.19 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 3i63 h GLU 42 Cb 0.26 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 3i63 h GLU 42 CO -0.32 0.15 -0.03 0.87 -1.18 0.00 0.00 179.01 178.50 3i63 h LYS 43 N 0.24 0.00 0.00 1.92 1.79 -1.13 -2.99 116.57 116.40 3i63 h LYS 43 Ca 0.31 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 3i63 h LYS 43 Cb 0.90 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 3i63 h LYS 43 CO -0.07 0.03 -0.02 0.91 -1.08 0.00 0.00 179.45 179.23 3i63 n TRP 44 N -3.13 0.66 0.34 -1.35 7.02 0.28 -3.27 117.44 117.99 3i63 n TRP 44 Ca 0.01 0.19 0.13 0.00 -1.02 0.00 0.00 57.50 56.82 3i63 n TRP 44 Cb 0.38 -0.81 0.58 0.00 -2.42 0.00 0.00 31.31 29.04 3i63 n TRP 44 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 3i63 h GLU 45 N 0.00 0.00 -0.00 -0.99 5.08 -1.58 -1.66 114.58 115.42 3i63 h GLU 45 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i63 h GLU 45 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3i63 h GLU 45 CO 0.00 0.00 -0.15 -1.13 -1.00 0.00 0.00 179.01 176.73 3i63 n SER 46 N -2.45 0.49 -4.68 1.42 3.41 -1.20 -4.84 113.62 105.77 3i63 n SER 46 Ca 0.01 -0.50 -0.53 0.00 -0.26 0.00 0.00 58.87 57.59 3i63 n SER 46 Cb 0.21 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.04 3i63 n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i63 n TYR 47 N -1.01 2.04 -3.79 7.33 9.36 -0.63 -4.96 117.16 125.51 3i63 n TYR 47 Ca 0.13 0.39 -0.30 0.00 3.32 0.00 0.00 57.90 61.44 3i63 n TYR 47 Cb 0.29 -2.49 -0.14 0.00 -0.63 0.00 0.00 39.34 36.37 3i63 n TYR 47 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3i63 s ASP 48 N 2.82 3.97 -0.13 2.98 2.15 -1.26 -4.70 116.67 122.50 3i63 s ASP 48 Ca 0.92 -2.41 -0.37 0.00 0.43 0.00 0.00 52.55 51.12 3i63 s ASP 48 Cb -0.91 -1.16 -0.14 0.00 -0.30 0.00 0.00 42.92 40.41 3i63 s ASP 48 CO 0.56 -0.31 1.76 -1.84 -0.17 0.00 0.00 175.17 175.17 3i63 n GLU 49 N 3.85 1.68 0.01 4.34 0.00 -1.26 -4.86 120.64 124.40 3i63 n GLU 49 Ca 0.05 0.61 0.13 0.00 0.00 0.00 0.00 57.16 57.96 3i63 n GLU 49 Cb 0.37 -2.37 0.44 0.00 0.00 0.00 0.00 31.44 29.88 3i63 n GLU 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 3i63 n PRO 50 N 5.54 0.03 -3.88 3.44 -0.04 -1.26 -4.36 135.00 134.48 3i63 n PRO 50 Ca 0.23 0.02 -0.31 0.00 -0.04 0.00 0.00 63.50 63.40 3i63 n PRO 50 Cb 0.22 -1.53 -0.12 0.00 -0.04 0.00 0.00 33.50 32.02 3i63 n PRO 50 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3i63 s TYR 51 N -3.02 3.32 0.53 0.54 6.04 -1.26 -5.09 117.35 118.41 3i63 s TYR 51 Ca 0.12 -3.11 -0.14 0.00 0.04 0.00 0.00 57.07 53.98 3i63 s TYR 51 Cb 0.18 -2.90 -0.07 0.00 -1.04 0.00 0.00 41.96 38.13 3i63 s TYR 51 CO 0.61 -0.73 0.97 0.15 -1.54 0.00 0.00 175.55 175.00 3i63 s LYS 52 N -0.48 3.83 0.31 4.97 1.02 -1.26 -4.89 119.74 123.24 3i63 s LYS 52 Ca 0.19 0.83 -0.07 0.00 0.02 0.00 0.00 55.97 56.94 3i63 s LYS 52 Cb -0.21 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.95 3i63 s LYS 52 CO -0.04 -0.32 0.48 -0.08 -0.92 0.00 0.00 175.35 174.47 3i63 s THR 53 N -2.74 0.00 0.14 2.17 -1.32 -1.26 -5.14 115.64 107.49 3i63 s THR 53 Ca 0.57 -1.52 -0.04 0.00 -1.21 0.00 0.00 61.69 59.49 3i63 s THR 53 Cb -0.10 -2.51 -0.03 0.00 -1.51 0.00 0.00 72.50 68.35 3i63 s THR 53 CO 0.37 0.00 0.15 -0.94 -2.21 0.00 0.00 174.62 171.99 3i63 s SER 54 N -3.15 0.20 0.16 8.08 1.04 -1.26 -5.02 113.70 113.75 3i63 s SER 54 Ca 0.27 -1.04 -0.16 0.00 0.48 0.00 0.00 55.95 55.50 3i63 s SER 54 Cb -0.00 0.35 0.06 0.00 0.10 0.00 0.00 66.02 66.52 3i63 s SER 54 CO 0.15 -0.79 1.77 0.22 0.98 0.00 0.00 173.24 175.58 3i63 h TYR 55 N 2.75 0.32 -0.71 5.02 5.03 -2.01 0.14 116.97 127.50 3i63 h TYR 55 Ca -0.34 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.00 3i63 h TYR 55 Cb 1.21 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 39.36 3i63 h TYR 55 CO 0.42 0.16 0.47 -1.35 -1.32 0.00 0.00 178.16 176.55 3i63 h PRO 56 N 0.36 0.93 -0.28 1.82 0.11 -2.01 -2.12 132.00 130.82 3i63 h PRO 56 Ca 0.16 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 3i63 h PRO 56 Cb 0.09 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 3i63 h PRO 56 CO -0.13 0.62 0.12 0.93 -0.21 0.00 0.00 178.00 179.33 3i63 h GLU 57 N 0.96 0.41 -0.04 1.05 5.08 -1.91 -2.92 114.58 117.22 3i63 h GLU 57 Ca 0.26 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 3i63 h GLU 57 Cb -0.10 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.03 3i63 h GLU 57 CO -0.06 0.42 -0.25 -0.92 -1.00 0.00 0.00 179.01 177.20 3i63 h TYR 58 N 0.31 -0.66 -0.11 4.33 3.20 -0.49 0.47 116.97 124.04 3i63 h TYR 58 Ca 0.10 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.88 3i63 h TYR 58 Cb 0.15 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3i63 h TYR 58 CO -0.01 -0.33 -0.41 -0.39 -1.64 0.00 0.00 178.16 175.37 3i63 h VAL 59 N -0.36 1.31 0.06 1.81 -1.51 -1.42 0.10 116.25 116.24 3i63 h VAL 59 Ca 0.07 -1.52 -0.00 0.00 -1.23 0.00 0.00 66.70 64.02 3i63 h VAL 59 Cb 0.46 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 3i63 h VAL 59 CO -0.25 0.45 -0.03 -1.28 -1.23 0.00 0.00 177.57 175.24 3i63 h SER 60 N 0.20 -0.07 0.26 4.19 0.87 -1.41 -0.98 113.55 116.60 3i63 h SER 60 Ca 0.02 -0.28 -0.21 0.00 -1.23 0.00 0.00 61.79 60.09 3i63 h SER 60 Cb 0.82 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 3i63 h SER 60 CO 0.06 0.24 -0.86 0.40 -0.53 0.00 0.00 176.83 176.15 3i63 h ILE 61 N -0.39 1.38 -0.20 2.23 2.04 -0.70 -2.74 117.51 119.13 3i63 h ILE 61 Ca -0.01 -2.30 -0.10 0.00 1.00 0.00 0.00 64.86 63.46 3i63 h ILE 61 Cb 0.34 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 3i63 h ILE 61 CO 0.01 0.69 -0.29 1.56 0.00 0.00 0.00 178.15 180.12 3i63 h GLN 62 N 0.28 0.40 -1.00 2.37 1.08 -0.86 0.03 115.11 117.41 3i63 h GLN 62 Ca -0.06 -0.16 0.03 0.00 -1.45 0.00 0.00 58.65 57.01 3i63 h GLN 62 Cb 1.47 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 28.82 3i63 h GLN 62 CO 0.15 0.66 0.66 -0.09 -0.95 0.00 0.00 178.83 179.26 3i63 h ARG 63 N 0.35 1.25 -0.01 1.46 2.43 -1.02 -2.51 114.38 116.33 3i63 h ARG 63 Ca 0.05 -0.08 -0.17 0.00 -0.81 0.00 0.00 59.98 58.97 3i63 h ARG 63 Cb 0.70 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 3i63 h ARG 63 CO 0.05 0.83 -0.77 1.49 -1.51 0.00 0.00 179.97 180.06 3i63 h GLU 64 N 1.29 0.13 -0.09 0.20 4.81 -0.98 -1.76 114.58 118.18 3i63 h GLU 64 Ca 0.39 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3i63 h GLU 64 Cb -0.04 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 3i63 h GLU 64 CO -0.11 0.84 0.05 0.87 -0.73 0.00 0.00 179.01 179.93 3i63 h LYS 65 N 0.08 0.12 -0.55 1.92 1.57 -0.76 -2.69 116.57 116.27 3i63 h LYS 65 Ca -0.02 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 3i63 h LYS 65 Cb 1.36 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.62 3i63 h LYS 65 CO 0.11 0.12 0.04 -0.44 -0.57 0.00 0.00 179.45 178.71 3i63 h ASP 66 N 0.08 0.86 -0.35 0.86 3.32 -1.41 -2.08 116.42 117.71 3i63 h ASP 66 Ca 0.03 -0.21 0.06 0.00 0.02 0.00 0.00 57.03 56.93 3i63 h ASP 66 Cb 0.03 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 3i63 h ASP 66 CO -0.01 0.90 0.03 0.00 -1.72 0.00 0.00 179.24 178.45 3i63 h ALA 67 N 1.19 0.34 -0.28 3.45 0.00 -1.14 -0.82 119.26 122.00 3i63 h ALA 67 Ca 0.17 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3i63 h ALA 67 Cb 0.45 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3i63 h ALA 67 CO 0.02 -0.37 0.15 0.78 0.00 0.00 0.00 179.25 179.83 3i63 h GLY 68 N 0.14 0.41 0.62 0.00 0.00 -1.45 -0.27 103.07 102.52 3i63 h GLY 68 Ca 0.17 -0.19 0.06 0.00 0.00 0.00 0.00 47.33 47.37 3i63 h GLY 68 CO -0.26 0.18 0.19 0.00 0.00 0.00 0.00 176.54 176.65 3i63 h ALA 69 N 1.03 0.58 -0.08 3.60 0.00 -1.08 -0.84 119.26 122.48 3i63 h ALA 69 Ca 0.10 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 3i63 h ALA 69 Cb 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3i63 h ALA 69 CO -0.02 -0.19 -0.79 1.88 0.00 0.00 0.00 179.25 180.14 3i63 h TYR 70 N 0.38 0.67 -0.01 0.00 0.05 -1.16 -2.57 116.97 114.33 3i63 h TYR 70 Ca 0.22 -0.31 -0.15 0.00 0.05 0.00 0.00 58.73 58.54 3i63 h TYR 70 Cb 0.20 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 3i63 h TYR 70 CO -0.14 1.09 -0.68 0.66 -1.05 0.00 0.00 178.16 178.04 3i63 h SER 71 N 0.32 0.08 -0.48 3.88 4.64 -0.79 -0.24 113.55 120.96 3i63 h SER 71 Ca -0.05 -0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.13 3i63 h SER 71 Cb 1.38 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.44 3i63 h SER 71 CO 0.14 0.74 -0.08 0.58 -0.87 0.00 0.00 176.83 177.34 3i63 h VAL 72 N 0.04 1.27 -0.53 0.95 2.07 -1.15 -1.03 116.25 117.88 3i63 h VAL 72 Ca -0.01 -1.19 0.01 0.00 0.82 0.00 0.00 66.70 66.33 3i63 h VAL 72 Cb 1.21 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 3i63 h VAL 72 CO 0.09 0.41 0.34 0.50 0.02 0.00 0.00 177.57 178.94 3i63 h LYS 73 N 0.74 0.67 -0.74 1.57 3.64 -1.24 -2.37 116.57 118.84 3i63 h LYS 73 Ca 0.13 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3i63 h LYS 73 Cb 0.62 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 3i63 h LYS 73 CO 0.04 0.45 0.34 0.00 -2.27 0.00 0.00 179.45 178.00 3i63 h ALA 74 N 1.20 0.96 0.00 5.00 0.00 -0.90 -2.28 119.26 123.25 3i63 h ALA 74 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i63 h ALA 74 Cb -0.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.44 3i63 h ALA 74 CO -0.05 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.74 3i63 h ALA 75 N 1.17 1.00 -0.09 0.00 0.00 -0.74 -3.10 119.26 117.50 3i63 h ALA 75 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3i63 h ALA 75 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3i63 h ALA 75 CO -0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.50 3i63 n LEU 76 N -2.43 2.05 -0.05 0.00 4.77 -0.94 -4.67 117.00 115.74 3i63 n LEU 76 Ca 0.02 -1.28 0.25 0.00 -0.03 0.00 0.00 56.01 54.97 3i63 n LEU 76 Cb 0.29 -0.05 0.71 0.00 -2.33 0.00 0.00 43.42 42.03 3i63 n LEU 76 CO 0.23 0.44 1.22 -0.33 -1.33 0.00 0.00 177.39 177.63 3i63 h GLU 77 N 1.78 0.00 -0.49 3.23 4.39 -1.34 -2.07 114.58 120.09 3i63 h GLU 77 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i63 h GLU 77 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3i63 h GLU 77 CO 0.00 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.39 3i63 n ARG 78 N -3.90 2.54 0.00 2.33 5.12 -1.26 -4.33 116.66 117.15 3i63 n ARG 78 Ca 0.14 -2.32 0.00 0.00 -1.93 0.00 0.00 57.85 53.73 3i63 n ARG 78 Cb 0.85 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.67 3i63 n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i63 n ALA 79 N 1.33 2.36 -2.79 7.54 0.00 -0.78 -4.90 120.51 123.28 3i63 n ALA 79 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.49 3i63 n ALA 79 Cb 0.56 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 3i63 n ALA 79 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i63 n LYS 80 N -0.36 -2.71 -0.20 0.00 5.02 -1.26 -4.82 118.16 113.81 3i63 n LYS 80 Ca 0.00 0.43 0.01 0.00 -2.02 0.00 0.00 58.31 56.73 3i63 n LYS 80 Cb 0.05 -5.05 0.10 0.00 -0.02 0.00 0.00 35.03 30.12 3i63 n LYS 80 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3i63 h ILE 81 N -0.33 0.50 -0.32 -0.18 5.03 -1.89 0.34 117.51 120.66 3i63 h ILE 81 Ca -0.29 -0.04 0.01 0.00 -0.12 0.00 0.00 64.86 64.42 3i63 h ILE 81 Cb 1.20 0.36 -0.02 0.00 -3.03 0.00 0.00 36.82 35.34 3i63 h ILE 81 CO 0.35 0.02 0.20 0.22 -0.68 0.00 0.00 178.15 178.27 3i63 h TYR 82 N 0.13 0.38 0.05 1.37 3.20 -1.95 0.14 116.97 120.29 3i63 h TYR 82 Ca 0.32 0.01 -0.24 0.00 3.14 0.00 0.00 58.73 61.96 3i63 h TYR 82 Cb 0.52 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 3i63 h TYR 82 CO -0.35 0.23 -1.13 0.93 -1.64 0.00 0.00 178.16 176.21 3i63 h GLU 83 N 0.41 0.10 0.00 1.82 3.07 -1.77 -3.31 114.58 114.90 3i63 h GLU 83 Ca 0.12 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3i63 h GLU 83 Cb -0.03 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 3i63 h GLU 83 CO -0.04 1.07 -1.05 0.09 -1.40 0.00 0.00 179.01 177.68 3i63 n ASN 84 N -3.41 0.61 -4.78 1.42 3.02 0.11 -4.96 115.26 107.28 3i63 n ASN 84 Ca -0.04 -0.26 -0.34 0.00 -0.03 0.00 0.00 54.58 53.91 3i63 n ASN 84 Cb 0.98 0.84 -0.00 0.00 -0.61 0.00 0.00 39.78 40.98 3i63 n ASN 84 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3i63 s SER 85 N -3.86 5.84 0.26 6.41 0.01 0.48 -4.97 113.70 117.88 3i63 s SER 85 Ca 0.04 2.03 -0.31 0.00 1.31 0.00 0.00 55.95 59.02 3i63 s SER 85 Cb 0.15 -2.56 -0.13 0.00 0.21 0.00 0.00 66.02 63.68 3i63 s SER 85 CO 0.81 -1.13 1.43 -0.67 0.41 0.00 0.00 173.24 174.09 3i63 n ASP 86 N -1.44 2.95 0.18 2.44 -0.08 -1.26 -4.86 116.55 114.47 3i63 n ASP 86 Ca 0.10 1.15 0.14 0.00 -1.51 0.00 0.00 54.79 54.68 3i63 n ASP 86 Cb 0.52 -1.46 0.73 0.00 2.34 0.00 0.00 41.12 43.24 3i63 n ASP 86 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3i63 h PRO 87 N 4.16 0.00 -0.86 -0.67 0.13 -1.93 -1.81 132.00 131.01 3i63 h PRO 87 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3i63 h PRO 87 Cb 1.27 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 3i63 h PRO 87 CO 0.75 0.00 0.53 0.78 -0.23 0.00 0.00 178.00 179.83 3i63 h GLY 88 N 0.00 1.23 1.00 1.56 0.00 -1.86 -1.90 103.07 103.10 3i63 h GLY 88 Ca 0.09 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3i63 h GLY 88 CO -0.00 0.48 0.22 -0.25 0.00 0.00 0.00 176.54 176.99 3i63 h TRP 89 N 1.17 0.43 -0.89 5.60 2.91 -1.40 -2.01 115.95 121.76 3i63 h TRP 89 Ca 0.31 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.38 3i63 h TRP 89 Cb -0.08 -0.15 -0.06 0.00 -0.51 0.00 0.00 29.16 28.37 3i63 h TRP 89 CO -0.00 0.28 0.57 0.82 -1.03 0.00 0.00 178.44 179.07 3i63 h ILE 90 N 0.46 1.11 -0.47 2.65 1.08 -1.30 -1.38 117.51 119.67 3i63 h ILE 90 Ca 0.12 -0.37 -0.04 0.00 -0.39 0.00 0.00 64.86 64.18 3i63 h ILE 90 Cb -0.05 -0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 33.61 3i63 h ILE 90 CO -0.03 0.20 0.11 0.28 -0.69 0.00 0.00 178.15 178.03 3i63 h SER 91 N 1.09 0.65 -0.10 1.72 0.02 -1.31 -0.37 113.55 115.23 3i63 h SER 91 Ca 0.37 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.24 3i63 h SER 91 Cb 0.06 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3i63 h SER 91 CO -0.14 0.64 -0.03 0.74 -1.14 0.00 0.00 176.83 176.90 3i63 h THR 92 N 0.68 0.88 -0.17 -2.27 2.02 -0.51 0.01 112.91 113.54 3i63 h THR 92 Ca 0.15 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.38 3i63 h THR 92 Cb 0.25 0.88 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 3i63 h THR 92 CO -0.00 0.00 -0.19 -0.07 0.37 0.00 0.00 175.52 175.63 3i63 h LEU 93 N -0.01 -0.59 -0.28 2.58 3.38 -1.07 0.83 115.31 120.14 3i63 h LEU 93 Ca 0.05 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.18 3i63 h LEU 93 Cb 0.09 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3i63 h LEU 93 CO -0.11 -0.23 0.00 0.11 0.09 0.00 0.00 178.44 178.30 3i63 h LYS 94 N -0.22 0.09 -0.43 1.13 1.57 -0.77 -0.95 116.57 116.98 3i63 h LYS 94 Ca 0.11 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 3i63 h LYS 94 Cb 0.38 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3i63 h LYS 94 CO -0.30 0.06 -0.08 0.66 -0.57 0.00 0.00 179.45 179.22 3i63 h SER 95 N 0.09 0.82 0.42 0.86 4.64 -0.90 -2.41 113.55 117.08 3i63 h SER 95 Ca 0.13 -0.35 -0.01 0.00 -0.47 0.00 0.00 61.79 61.09 3i63 h SER 95 Cb 0.17 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 3i63 h SER 95 CO -0.22 0.98 -0.46 -0.74 -0.87 0.00 0.00 176.83 175.52 3i63 h HIS 96 N 0.65 -1.29 -0.54 4.77 -0.00 -0.68 0.01 115.15 118.07 3i63 h HIS 96 Ca 0.11 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.49 3i63 h HIS 96 Cb 0.61 0.51 -0.03 0.00 -0.00 0.00 0.00 27.41 28.50 3i63 h HIS 96 CO 0.05 -0.61 0.31 1.88 -0.00 0.00 0.00 177.93 179.56 3i63 h TYR 97 N -0.89 0.73 -0.49 5.26 0.05 -1.20 -1.65 116.97 118.78 3i63 h TYR 97 Ca -0.05 -0.01 0.09 0.00 0.05 0.00 0.00 58.73 58.81 3i63 h TYR 97 Cb 0.79 -0.24 -0.08 0.00 1.01 0.00 0.00 36.73 38.21 3i63 h TYR 97 CO -0.26 0.52 0.00 0.78 -1.05 0.00 0.00 178.16 178.15 3i63 h GLY 98 N 0.73 0.50 2.00 3.88 0.00 -1.40 -0.64 103.07 108.14 3i63 h GLY 98 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3i63 h GLY 98 CO -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 176.54 176.37 3i63 h ALA 99 N 1.43 1.00 0.00 3.60 0.00 -0.66 -3.40 119.26 121.23 3i63 h ALA 99 Ca 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 3i63 h ALA 99 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3i63 h ALA 99 CO -0.41 0.00 -1.28 -0.89 0.00 0.00 0.00 179.25 176.67 3i63 n ILE 100 N -2.38 0.28 -0.07 0.00 5.41 -0.65 -4.60 119.36 117.35 3i63 n ILE 100 Ca 0.05 -0.14 -0.07 0.00 1.00 0.00 0.00 62.75 63.59 3i63 n ILE 100 Cb 0.43 -0.78 -0.01 0.00 -0.71 0.00 0.00 39.64 38.58 3i63 n ILE 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i63 h ALA 101 N 0.09 0.28 0.00 -1.39 0.00 -1.31 0.25 119.26 117.18 3i63 h ALA 101 Ca -0.11 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3i63 h ALA 101 Cb 1.21 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3i63 h ALA 101 CO -0.01 -0.36 -0.39 0.28 0.00 0.00 0.00 179.25 178.78 3i63 h VAL 102 N 0.15 0.00 -0.28 0.00 2.07 -1.81 -3.09 116.25 113.29 3i63 h VAL 102 Ca 0.13 -0.61 -0.16 0.00 0.82 0.00 0.00 66.70 66.87 3i63 h VAL 102 Cb 0.13 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3i63 h VAL 102 CO -0.17 0.00 -0.48 1.23 0.02 0.00 0.00 177.57 178.17 3i63 h GLY 103 N 4.39 0.82 0.35 2.17 0.00 -1.49 -1.10 103.07 108.21 3i63 h GLY 103 Ca 0.00 -0.91 0.09 0.00 0.00 0.00 0.00 47.33 46.52 3i63 h GLY 103 CO 0.00 0.81 0.15 0.83 0.00 0.00 0.00 176.54 178.33 3i63 h GLU 104 N 0.60 0.29 -0.38 4.80 4.39 -0.93 0.02 114.58 123.36 3i63 h GLU 104 Ca 0.03 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.59 3i63 h GLU 104 Cb 1.05 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 3i63 h GLU 104 CO 0.10 0.19 -0.24 -0.92 -1.16 0.00 0.00 179.01 176.99 3i63 h TYR 105 N 0.30 0.89 -1.00 4.33 3.20 -1.42 -1.92 116.97 121.34 3i63 h TYR 105 Ca 0.28 -0.21 0.09 0.00 3.14 0.00 0.00 58.73 62.03 3i63 h TYR 105 Cb 0.36 -0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.35 3i63 h TYR 105 CO -0.21 0.94 0.64 0.00 -1.64 0.00 0.00 178.16 177.89 3i63 h ALA 106 N 1.05 1.46 -0.03 1.82 0.00 -0.70 -2.02 119.26 120.84 3i63 h ALA 106 Ca 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3i63 h ALA 106 Cb 0.76 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3i63 h ALA 106 CO 0.06 0.35 0.03 0.00 0.00 0.00 0.00 179.25 179.69 3i63 h ALA 107 N 1.49 1.65 -0.86 0.00 0.00 -0.18 -0.21 119.26 121.17 3i63 h ALA 107 Ca 0.46 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.53 3i63 h ALA 107 Cb 0.30 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 3i63 h ALA 107 CO -0.21 -0.04 0.42 0.28 0.00 0.00 0.00 179.25 179.70 3i63 h VAL 108 N 0.00 0.65 -0.34 0.00 2.07 -1.26 -1.71 116.25 115.67 3i63 h VAL 108 Ca 0.01 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 3i63 h VAL 108 Cb 0.07 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 3i63 h VAL 108 CO -0.00 0.10 -0.28 0.74 0.02 0.00 0.00 177.57 178.15 3i63 h THR 109 N 0.55 1.28 -0.74 2.57 2.02 -1.16 0.31 112.91 117.74 3i63 h THR 109 Ca 0.49 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 66.26 3i63 h THR 109 Cb 0.76 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 3i63 h THR 109 CO -0.41 0.46 0.46 1.23 0.37 0.00 0.00 175.52 177.63 3i63 h GLY 110 N 0.97 1.06 1.26 2.16 0.00 -1.37 -0.47 103.07 106.68 3i63 h GLY 110 Ca 0.07 -0.42 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 3i63 h GLY 110 CO 0.07 0.41 -0.26 0.83 0.00 0.00 0.00 176.54 177.59 3i63 h GLU 111 N 1.00 0.84 -0.33 4.80 4.39 -1.05 -2.67 114.58 121.56 3i63 h GLU 111 Ca 0.27 -0.37 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 3i63 h GLU 111 Cb -0.07 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 3i63 h GLU 111 CO -0.05 1.00 -0.09 0.78 -1.16 0.00 0.00 179.01 179.49 3i63 h GLY 112 N 0.93 0.59 0.62 -3.84 0.00 -0.16 0.57 103.07 101.78 3i63 h GLY 112 Ca 0.09 -0.40 0.06 0.00 0.00 0.00 0.00 47.33 47.08 3i63 h GLY 112 CO 0.07 0.37 0.23 -0.09 0.00 0.00 0.00 176.54 177.11 3i63 h ARG 113 N 0.51 0.43 -0.14 4.80 9.65 -0.76 -0.65 114.38 128.23 3i63 h ARG 113 Ca 0.10 -0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 58.88 3i63 h ARG 113 Cb 0.46 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.94 3i63 h ARG 113 CO 0.02 0.29 -0.17 0.52 2.80 0.00 0.00 179.97 183.42 3i63 h MET 114 N 0.44 0.37 -0.93 0.20 2.86 -1.18 0.31 114.93 117.00 3i63 h MET 114 Ca 0.24 -0.21 0.10 0.00 -2.06 0.00 0.00 59.70 57.77 3i63 h MET 114 Cb 0.20 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.81 3i63 h MET 114 CO -0.20 0.78 0.60 0.00 1.06 0.00 0.00 176.91 179.14 3i63 h ALA 115 N 0.59 1.60 0.11 6.32 0.00 -0.53 -1.04 119.26 126.32 3i63 h ALA 115 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 3i63 h ALA 115 Cb 0.72 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3i63 h ALA 115 CO 0.04 0.20 -1.40 -0.09 0.00 0.00 0.00 179.25 178.00 3i63 h ARG 116 N 0.93 0.24 -0.00 0.00 9.65 -1.12 -3.44 114.38 120.63 3i63 h ARG 116 Ca 0.44 -0.40 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 3i63 h ARG 116 Cb 0.43 0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 3i63 h ARG 116 CO -0.20 1.19 -0.53 1.19 2.80 0.00 0.00 179.97 184.43 3i63 n PHE 117 N -3.93 0.00 -2.03 2.20 3.72 0.11 -4.93 117.46 112.59 3i63 n PHE 117 Ca -0.25 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.73 3i63 n PHE 117 Cb 0.89 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.41 3i63 n PHE 117 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3i63 s SER 118 N -2.12 6.68 0.00 4.37 0.15 -0.41 -4.42 113.70 117.95 3i63 s SER 118 Ca 0.08 2.60 0.25 0.00 0.70 0.00 0.00 55.95 59.57 3i63 s SER 118 Cb 0.11 -2.61 1.17 0.00 -1.71 0.00 0.00 66.02 62.98 3i63 s SER 118 CO 0.50 -0.70 1.81 0.29 1.20 0.00 0.00 173.24 176.34 3i63 n LYS 119 N 2.82 0.21 -2.94 5.44 5.02 -1.26 -4.71 118.16 122.74 3i63 n LYS 119 Ca 0.08 0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 56.02 3i63 n LYS 119 Cb 0.40 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.86 3i63 n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i63 s ALA 120 N -2.74 3.52 0.20 7.82 0.00 -1.26 -4.70 121.76 124.59 3i63 s ALA 120 Ca 0.19 -0.45 -0.08 0.00 0.00 0.00 0.00 51.96 51.62 3i63 s ALA 120 Cb 0.16 -3.31 0.13 0.00 0.00 0.00 0.00 23.12 20.11 3i63 s ALA 120 CO 0.41 -1.24 1.71 -1.35 0.00 0.00 0.00 175.76 175.29 3i63 h PRO 121 N 8.17 1.11 -0.45 0.00 0.10 -1.84 -1.27 132.00 137.82 3i63 h PRO 121 Ca -0.24 -0.28 -0.05 0.00 0.10 0.00 0.00 66.00 65.53 3i63 h PRO 121 Cb 1.10 -0.14 -0.02 0.00 0.10 0.00 0.00 31.00 32.03 3i63 h PRO 121 CO 0.89 0.99 0.06 0.78 0.10 0.00 0.00 178.00 180.83 3i63 h GLY 122 N 1.07 0.74 0.95 -0.55 0.00 -1.84 -2.35 103.07 101.10 3i63 h GLY 122 Ca 0.21 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3i63 h GLY 122 CO 0.01 0.41 0.16 -0.57 0.00 0.00 0.00 176.54 176.55 3i63 h ASN 123 N 0.66 0.38 -0.96 0.19 -1.24 -1.70 -1.68 115.58 111.23 3i63 h ASN 123 Ca 0.14 -0.09 0.06 0.00 0.71 0.00 0.00 56.30 57.13 3i63 h ASN 123 Cb 0.32 -0.10 -0.07 0.00 0.73 0.00 0.00 38.32 39.21 3i63 h ASN 123 CO 0.00 0.36 0.62 0.03 -1.29 0.00 0.00 177.43 177.15 3i63 h ARG 124 N 0.37 1.09 -0.19 6.67 3.08 -0.93 0.39 114.38 124.86 3i63 h ARG 124 Ca 0.11 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 3i63 h ARG 124 Cb 0.07 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.87 3i63 h ARG 124 CO -0.02 0.72 -0.32 -0.91 -1.07 0.00 0.00 179.97 178.37 3i63 h ASN 125 N 1.12 0.61 -0.63 7.04 2.35 -1.29 -2.84 115.58 121.93 3i63 h ASN 125 Ca 0.42 -0.54 -0.05 0.00 -0.55 0.00 0.00 56.30 55.58 3i63 h ASN 125 Cb 0.17 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 3i63 h ASN 125 CO -0.17 1.03 0.23 0.24 -1.65 0.00 0.00 177.43 177.10 3i63 h MET 126 N 0.20 1.00 -0.01 0.81 2.86 -1.06 -1.43 114.93 117.31 3i63 h MET 126 Ca 0.01 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3i63 h MET 126 Cb 0.91 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 3i63 h MET 126 CO 0.07 0.84 0.01 0.00 1.06 0.00 0.00 176.91 178.89 3i63 h ALA 127 N 1.27 1.92 -0.09 6.32 0.00 -0.27 0.25 119.26 128.67 3i63 h ALA 127 Ca 0.22 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3i63 h ALA 127 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3i63 h ALA 127 CO -0.01 -0.01 -0.21 1.15 0.00 0.00 0.00 179.25 180.17 3i63 h THR 128 N 0.00 1.41 -0.57 0.00 2.02 -1.02 0.15 112.91 114.90 3i63 h THR 128 Ca 0.00 -1.54 0.01 0.00 0.77 0.00 0.00 66.41 65.66 3i63 h THR 128 Cb 0.01 2.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.59 3i63 h THR 128 CO -0.00 0.44 0.38 -0.26 0.37 0.00 0.00 175.52 176.45 3i63 h PHE 129 N -0.17 0.70 -0.44 3.16 0.04 -1.18 -2.72 116.94 116.31 3i63 h PHE 129 Ca -0.00 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.82 3i63 h PHE 129 Cb 0.82 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.69 3i63 h PHE 129 CO 0.12 0.43 0.21 0.78 -0.60 0.00 0.00 178.31 179.25 3i63 h GLY 130 N 0.75 0.61 0.49 -1.45 0.00 -0.14 0.15 103.07 103.47 3i63 h GLY 130 Ca 0.21 -0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.45 3i63 h GLY 130 CO -0.05 0.09 -0.05 -0.33 0.00 0.00 0.00 176.54 176.20 3i63 h MET 131 N 0.43 0.02 -0.44 4.80 2.86 -0.50 -1.85 114.93 120.25 3i63 h MET 131 Ca 0.19 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.87 3i63 h MET 131 Cb 0.11 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 3i63 h MET 131 CO -0.15 0.01 0.22 0.52 1.06 0.00 0.00 176.91 178.57 3i63 h MET 132 N 0.02 0.43 -0.25 1.72 2.07 -1.16 -2.30 114.93 115.46 3i63 h MET 132 Ca 0.13 -0.03 0.04 0.00 -2.07 0.00 0.00 59.70 57.77 3i63 h MET 132 Cb 0.19 -0.10 -0.04 0.00 -1.87 0.00 0.00 31.60 29.79 3i63 h MET 132 CO -0.26 0.28 0.00 -0.44 1.07 0.00 0.00 176.91 177.56 3i63 h ASP 133 N 0.44 -0.09 0.30 1.22 3.32 -0.46 -0.82 116.42 120.33 3i63 h ASP 133 Ca 0.19 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 3i63 h ASP 133 Cb 0.09 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3i63 h ASP 133 CO -0.13 -0.01 -0.41 -0.33 -1.72 0.00 0.00 179.24 176.63 3i63 h GLU 134 N 0.08 0.16 -0.13 3.56 4.39 -1.29 -0.47 114.58 120.88 3i63 h GLU 134 Ca 0.12 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.77 3i63 h GLU 134 Cb 0.15 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3i63 h GLU 134 CO -0.19 0.55 -0.02 1.25 -1.16 0.00 0.00 179.01 179.43 3i63 h LEU 135 N 0.13 -0.10 -0.43 1.33 5.85 -1.13 0.16 115.31 121.13 3i63 h LEU 135 Ca 0.01 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.85 3i63 h LEU 135 Cb 0.79 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.81 3i63 h LEU 135 CO 0.06 -0.03 -0.11 -0.09 -0.34 0.00 0.00 178.44 177.93 3i63 h ARG 136 N 0.02 0.00 -0.40 1.25 2.43 -0.55 -0.36 114.38 116.77 3i63 h ARG 136 Ca 0.06 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.10 3i63 h ARG 136 Cb 0.09 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3i63 h ARG 136 CO -0.12 0.00 -0.26 0.45 -1.51 0.00 0.00 179.97 178.53 3i63 h HIS 137 N 0.00 0.96 -0.60 2.20 3.86 -0.62 -0.32 115.15 120.62 3i63 h HIS 137 Ca 0.21 -0.24 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 3i63 h HIS 137 Cb 0.31 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 3i63 h HIS 137 CO -0.37 1.00 0.25 0.78 0.86 0.00 0.00 177.93 180.44 3i63 h GLY 138 N 0.93 0.96 0.83 2.45 0.00 -0.41 -2.75 103.07 105.08 3i63 h GLY 138 Ca 0.09 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 3i63 h GLY 138 CO 0.07 0.49 -0.31 1.46 0.00 0.00 0.00 176.54 178.24 3i63 h GLN 139 N 0.83 0.49 -0.78 4.80 4.20 -0.72 -2.60 115.11 121.34 3i63 h GLN 139 Ca 0.20 -0.32 0.18 0.00 0.06 0.00 0.00 58.65 58.78 3i63 h GLN 139 Cb 0.20 0.04 -0.12 0.00 0.30 0.00 0.00 27.48 27.90 3i63 h GLN 139 CO -0.02 0.92 0.19 -0.07 -0.67 0.00 0.00 178.83 179.19 3i63 h LEU 140 N 0.11 0.00 -1.38 1.46 3.38 -1.12 0.47 115.31 118.23 3i63 h LEU 140 Ca 0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3i63 h LEU 140 Cb 0.91 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3i63 h LEU 140 CO 0.07 -0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3i63 n GLN 141 N -5.18 1.95 -0.02 1.13 6.02 -1.04 -0.70 117.38 119.54 3i63 n GLN 141 Ca 0.16 -1.38 -0.21 0.00 -0.01 0.00 0.00 57.00 55.56 3i63 n GLN 141 Cb 0.52 -1.47 -0.13 0.00 1.02 0.00 0.00 30.24 30.18 3i63 n GLN 141 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3i63 h LEU 142 N 3.29 0.30 -0.70 1.08 3.38 -1.28 -3.40 115.31 117.98 3i63 h LEU 142 Ca 0.00 -0.81 -0.01 0.00 0.09 0.00 0.00 57.88 57.15 3i63 h LEU 142 Cb 0.70 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3i63 h LEU 142 CO 0.00 1.64 0.41 0.15 0.09 0.00 0.00 178.44 180.73 3i63 h PHE 143 N -0.37 0.93 -0.10 1.13 3.57 -0.44 -2.66 116.94 118.99 3i63 h PHE 143 Ca -0.34 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.12 3i63 h PHE 143 Cb 1.72 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 40.15 3i63 h PHE 143 CO 0.11 0.64 -0.06 0.74 -2.23 0.00 0.00 178.31 177.51 3i63 h PHE 144 N 0.95 0.26 0.00 0.41 -1.00 -1.16 -3.02 116.94 113.39 3i63 h PHE 144 Ca 0.25 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.96 3i63 h PHE 144 Cb -0.01 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.49 3i63 h PHE 144 CO -0.01 0.60 0.00 -1.00 -1.61 0.00 0.00 178.31 176.29 3i63 h PRO 145 N -0.15 0.00 -0.79 1.51 0.13 -1.76 -3.32 132.00 127.62 3i63 h PRO 145 Ca 0.02 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.32 3i63 h PRO 145 Cb 0.54 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.56 3i63 h PRO 145 CO 0.02 0.00 0.29 1.25 -0.23 0.00 0.00 178.00 179.32 3i63 h HIS 146 N 0.00 0.47 -0.73 1.56 2.76 -1.33 0.17 115.15 118.05 3i63 h HIS 146 Ca 0.00 0.04 0.23 0.00 -2.20 0.00 0.00 60.37 58.44 3i63 h HIS 146 Cb 0.67 -0.09 -0.14 0.00 1.55 0.00 0.00 27.41 29.41 3i63 h HIS 146 CO 0.00 -0.01 0.11 0.39 -1.30 0.00 0.00 177.93 177.11 3i63 n GLU 147 N -5.06 -0.05 0.01 5.26 1.02 -1.25 -1.99 120.64 118.57 3i63 n GLU 147 Ca 0.16 1.07 0.12 0.00 -0.02 0.00 0.00 57.16 58.50 3i63 n GLU 147 Cb 0.49 -1.76 0.29 0.00 -0.02 0.00 0.00 31.44 30.45 3i63 n GLU 147 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3i63 n TYR 148 N -4.92 0.11 -0.33 -0.32 4.01 0.59 -3.93 117.16 112.37 3i63 n TYR 148 Ca 0.20 0.03 0.16 0.00 -0.16 0.00 0.00 57.90 58.13 3i63 n TYR 148 Cb 0.65 -0.37 0.36 0.00 -0.31 0.00 0.00 39.34 39.68 3i63 n TYR 148 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i63 n LYS 150 N -4.92 0.05 -0.06 0.00 2.85 -1.25 -2.60 118.16 112.22 3i63 n LYS 150 Ca 0.26 0.22 -0.13 0.00 -1.05 0.00 0.00 58.31 57.61 3i63 n LYS 150 Cb 0.72 -1.58 -0.14 0.00 -0.65 0.00 0.00 35.03 33.37 3i63 n LYS 150 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3i63 n LYS 151 N -1.68 0.68 -3.19 -1.58 5.02 0.99 -4.97 118.16 113.44 3i63 n LYS 151 Ca 0.04 0.16 0.03 0.00 -2.02 0.00 0.00 58.31 56.52 3i63 n LYS 151 Cb 0.23 -1.64 -0.01 0.00 -0.02 0.00 0.00 35.03 33.59 3i63 n LYS 151 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i63 s ASP 152 N -6.11 -1.36 0.63 4.39 -1.08 -0.92 -5.04 116.67 107.18 3i63 s ASP 152 Ca -0.15 0.93 0.33 0.00 -0.52 0.00 0.00 52.55 53.14 3i63 s ASP 152 Cb 0.07 2.17 1.88 0.00 -1.46 0.00 0.00 42.92 45.58 3i63 s ASP 152 CO 0.78 -0.26 2.15 0.03 0.52 0.00 0.00 175.17 178.39 3i63 h ARG 153 N 8.00 0.00 0.00 4.34 3.08 -1.86 -2.14 114.38 125.80 3i63 h ARG 153 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3i63 h ARG 153 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3i63 h ARG 153 CO 0.25 0.00 0.00 1.96 -1.07 0.00 0.00 179.97 181.11 3i63 h GLN 154 N 0.00 0.00 0.00 0.04 4.20 -1.88 -1.28 115.11 116.19 3i63 h GLN 154 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3i63 h GLN 154 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3i63 h GLN 154 CO -0.00 0.00 0.00 0.74 -0.67 0.00 0.00 178.83 178.90 3i63 h PHE 155 N 0.00 0.00 0.00 2.96 0.04 -1.70 -1.75 116.94 116.49 3i63 h PHE 155 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3i63 h PHE 155 Cb 0.52 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.67 3i63 h PHE 155 CO 0.00 0.00 -0.03 0.22 -0.60 0.00 0.00 178.31 177.90 3i63 h ASP 156 N 0.00 0.00 0.82 2.17 3.58 -1.40 -1.95 116.42 119.64 3i63 h ASP 156 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3i63 h ASP 156 Cb 0.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.30 3i63 h ASP 156 CO 0.00 0.03 0.00 0.79 -2.88 0.00 0.00 179.24 177.18 3i63 n TRP 157 N -3.51 0.60 -0.34 0.28 7.02 -0.66 -0.84 117.44 119.99 3i63 n TRP 157 Ca -0.02 0.22 0.14 0.00 -1.02 0.00 0.00 57.50 56.81 3i63 n TRP 157 Cb 0.13 -0.86 0.34 0.00 -2.42 0.00 0.00 31.31 28.50 3i63 n TRP 157 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3i63 h ALA 158 N 2.41 1.74 0.09 6.99 0.00 -1.54 -0.69 119.26 128.25 3i63 h ALA 158 Ca 0.00 0.07 -0.35 0.00 0.00 0.00 0.00 54.91 54.63 3i63 h ALA 158 Cb 0.41 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3i63 h ALA 158 CO 0.00 -0.10 -1.92 1.87 0.00 0.00 0.00 179.25 179.11 3i63 n TRP 159 N -4.73 1.11 0.10 0.00 -0.00 -0.77 -4.42 117.44 108.73 3i63 n TRP 159 Ca 0.23 0.27 -0.04 0.00 -0.00 0.00 0.00 57.50 57.97 3i63 n TRP 159 Cb 0.59 -1.14 0.01 0.00 -0.00 0.00 0.00 31.31 30.77 3i63 n TRP 159 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 177.69 177.60 3i63 h ARG 160 N -0.14 0.00 -0.42 5.87 2.43 -0.60 -3.38 114.38 118.14 3i63 h ARG 160 Ca -0.43 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 58.83 3i63 h ARG 160 Cb 1.89 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 31.36 3i63 h ARG 160 CO 0.01 0.81 -0.12 0.00 -1.51 0.00 0.00 179.97 179.16 3i63 h ALA 161 N 1.19 0.25 0.00 2.80 0.00 -1.39 0.42 119.26 122.54 3i63 h ALA 161 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i63 h ALA 161 Cb 1.48 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3i63 h ALA 161 CO 0.10 -0.47 0.00 0.66 0.00 0.00 0.00 179.25 179.55 3i63 n TYR 162 N -5.33 0.78 1.27 0.00 4.02 -1.26 -1.34 117.16 115.29 3i63 n TYR 162 Ca 0.03 0.31 0.12 0.00 -0.01 0.00 0.00 57.90 58.34 3i63 n TYR 162 Cb 0.24 -0.99 0.41 0.00 -0.02 0.00 0.00 39.34 38.98 3i63 n TYR 162 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3i63 n HIS 163 N -2.21 0.16 -3.80 -0.72 8.25 0.13 -4.96 115.22 112.07 3i63 n HIS 163 Ca 0.02 -0.08 -0.21 0.00 -0.26 0.00 0.00 57.72 57.19 3i63 n HIS 163 Cb 0.23 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.30 3i63 n HIS 163 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3i63 s SER 164 N -1.69 5.09 -0.30 0.41 1.04 -0.45 -5.02 113.70 112.78 3i63 s SER 164 Ca 0.34 -0.63 0.11 0.00 0.48 0.00 0.00 55.95 56.24 3i63 s SER 164 Cb 0.19 -0.80 0.71 0.00 0.10 0.00 0.00 66.02 66.22 3i63 s SER 164 CO 0.28 -0.44 1.74 0.59 0.98 0.00 0.00 173.24 176.40 3i63 n ASN 165 N -1.38 4.64 -4.75 7.02 3.02 -1.25 -4.70 115.26 117.87 3i63 n ASN 165 Ca -0.00 -3.22 -0.38 0.00 -0.03 0.00 0.00 54.58 50.95 3i63 n ASN 165 Cb 0.61 -0.71 0.03 0.00 -0.61 0.00 0.00 39.78 39.10 3i63 n ASN 165 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3i63 s GLU 166 N -2.98 3.15 0.37 3.52 -6.30 -1.12 -4.56 118.70 110.78 3i63 s GLU 166 Ca 0.53 2.06 0.16 0.00 -2.50 0.00 0.00 54.97 55.22 3i63 s GLU 166 Cb 0.43 -2.18 0.72 0.00 0.00 0.00 0.00 34.13 33.09 3i63 s GLU 166 CO 0.12 -1.12 1.78 0.11 0.02 0.00 0.00 175.26 176.17 3i63 h TRP 167 N 1.36 0.00 0.02 5.30 5.08 -1.90 -0.38 115.95 125.42 3i63 h TRP 167 Ca -0.51 0.00 -0.24 0.00 1.08 0.00 0.00 58.89 59.22 3i63 h TRP 167 Cb 1.29 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.42 3i63 h TRP 167 CO 0.47 0.39 -1.25 0.00 -1.28 0.00 0.00 178.44 176.77 3i63 h ALA 168 N 1.61 0.43 -0.66 0.11 0.00 -1.89 -1.02 119.26 117.85 3i63 h ALA 168 Ca -0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 54.91 53.80 3i63 h ALA 168 Cb 0.79 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3i63 h ALA 168 CO 0.05 1.30 0.24 0.00 0.00 0.00 0.00 179.25 180.85 3i63 h ALA 169 N 0.92 1.20 -0.33 0.00 0.00 -1.70 -0.34 119.26 119.00 3i63 h ALA 169 Ca -0.11 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 3i63 h ALA 169 Cb 1.87 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 3i63 h ALA 169 CO 0.13 0.58 -0.35 0.82 0.00 0.00 0.00 179.25 180.42 3i63 h ILE 170 N 0.95 1.29 -0.55 0.00 2.04 -0.78 -0.55 117.51 119.91 3i63 h ILE 170 Ca 0.22 -1.53 0.03 0.00 1.00 0.00 0.00 64.86 64.58 3i63 h ILE 170 Cb 0.21 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 3i63 h ILE 170 CO -0.02 0.50 0.32 0.00 0.00 0.00 0.00 178.15 178.96 3i63 h ALA 171 N 0.73 0.71 -0.11 1.87 0.00 -1.04 0.04 119.26 121.46 3i63 h ALA 171 Ca 0.05 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3i63 h ALA 171 Cb 0.94 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3i63 h ALA 171 CO 0.09 0.03 -0.20 0.00 0.00 0.00 0.00 179.25 179.17 3i63 h ALA 172 N 1.25 -0.16 -0.49 0.00 0.00 -0.89 -2.58 119.26 116.40 3i63 h ALA 172 Ca 0.23 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 3i63 h ALA 172 Cb 0.05 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3i63 h ALA 172 CO -0.11 -0.66 -0.09 0.87 0.00 0.00 0.00 179.25 179.26 3i63 h LYS 173 N -0.26 0.89 -0.61 0.00 1.57 -0.95 -0.07 116.57 117.14 3i63 h LYS 173 Ca 0.09 -0.30 0.04 0.00 -1.87 0.00 0.00 60.65 58.61 3i63 h LYS 173 Cb 0.39 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 3i63 h LYS 173 CO -0.26 0.94 0.35 1.25 -0.57 0.00 0.00 179.45 181.16 3i63 h HIS 174 N 0.80 0.66 0.07 -1.35 2.76 -0.99 0.33 115.15 117.43 3i63 h HIS 174 Ca 0.14 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3i63 h HIS 174 Cb 0.60 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.35 3i63 h HIS 174 CO 0.04 0.35 -0.04 0.35 -1.30 0.00 0.00 177.93 177.33 3i63 h PHE 175 N 0.68 -0.09 -0.10 5.26 3.57 -1.29 -1.30 116.94 123.67 3i63 h PHE 175 Ca 0.26 -0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.58 3i63 h PHE 175 Cb 0.09 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 3i63 h PHE 175 CO -0.07 0.28 -0.69 0.74 -2.23 0.00 0.00 178.31 176.34 3i63 h PHE 176 N -0.49 0.58 -0.08 0.41 0.04 -0.88 -0.24 116.94 116.29 3i63 h PHE 176 Ca -0.01 -0.25 -0.08 0.00 2.80 0.00 0.00 57.97 60.43 3i63 h PHE 176 Cb 0.42 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 3i63 h PHE 176 CO 0.05 1.00 -0.33 -0.44 -0.60 0.00 0.00 178.31 177.98 3i63 h ASP 177 N 0.31 0.15 -0.18 2.17 3.32 -0.43 0.18 116.42 121.94 3i63 h ASP 177 Ca -0.02 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 3i63 h ASP 177 Cb 1.26 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 3i63 h ASP 177 CO 0.12 0.48 -0.25 -0.78 -1.72 0.00 0.00 179.24 177.09 3i63 h ASP 178 N 0.13 0.53 0.00 6.45 3.58 -0.35 -0.31 116.42 126.44 3i63 h ASP 178 Ca 0.02 -0.52 0.00 0.00 0.42 0.00 0.00 57.03 56.95 3i63 h ASP 178 Cb 0.66 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.56 3i63 h ASP 178 CO 0.05 0.94 -1.35 2.30 -2.88 0.00 0.00 179.24 178.31 3i63 n ILE 179 N -4.41 0.00 -0.07 2.25 -5.35 -0.19 -4.41 119.36 107.19 3i63 n ILE 179 Ca -0.06 -0.26 -0.13 0.00 -0.27 0.00 0.00 62.75 62.03 3i63 n ILE 179 Cb 0.44 0.51 -0.04 0.00 -1.74 0.00 0.00 39.64 38.81 3i63 n ILE 179 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 3i63 n ILE 180 N -1.79 1.18 0.74 7.28 5.41 0.58 -4.21 119.36 128.55 3i63 n ILE 180 Ca -0.00 -0.03 0.08 0.00 1.00 0.00 0.00 62.75 63.80 3i63 n ILE 180 Cb 0.37 -1.90 -0.06 0.00 -0.71 0.00 0.00 39.64 37.34 3i63 n ILE 180 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3i63 n THR 181 N -3.95 0.00 0.37 1.39 -2.24 -0.89 -3.88 114.28 105.08 3i63 n THR 181 Ca -0.23 -0.19 0.09 0.00 -2.27 0.00 0.00 64.05 61.44 3i63 n THR 181 Cb 0.56 1.06 0.14 0.00 -2.10 0.00 0.00 70.33 69.99 3i63 n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i63 n GLY 182 N 1.31 1.18 3.20 3.38 0.00 -0.13 -4.99 105.19 109.14 3i63 n GLY 182 Ca 0.04 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 3i63 n GLY 182 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i63 s ARG 183 N -1.30 1.07 1.11 1.61 0.52 -1.26 -4.98 118.95 115.71 3i63 s ARG 183 Ca 0.27 -1.53 -0.12 0.00 -0.52 0.00 0.00 55.73 53.83 3i63 s ARG 183 Cb 0.16 0.04 0.25 0.00 0.52 0.00 0.00 34.95 35.92 3i63 s ARG 183 CO 0.23 -0.24 1.05 0.16 0.02 0.00 0.00 175.30 176.52 3i63 s ASP 184 N -3.13 1.49 0.18 0.23 1.47 -1.26 -4.67 116.67 110.98 3i63 s ASP 184 Ca 0.27 1.55 -0.13 0.00 1.18 0.00 0.00 52.55 55.43 3i63 s ASP 184 Cb 0.07 -2.27 0.14 0.00 -0.34 0.00 0.00 42.92 40.52 3i63 s ASP 184 CO 0.05 -3.89 1.78 0.00 0.68 0.00 0.00 175.17 173.79 3i63 h ALA 185 N -2.41 0.66 -0.34 2.11 0.00 -0.21 -0.67 119.26 118.40 3i63 h ALA 185 Ca -0.58 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.22 3i63 h ALA 185 Cb 1.32 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3i63 h ALA 185 CO 0.50 -0.09 -0.33 0.82 0.00 0.00 0.00 179.25 180.15 3i63 h ILE 186 N 0.50 1.28 -0.69 0.00 1.08 -1.69 -1.03 117.51 116.96 3i63 h ILE 186 Ca 0.23 -1.48 0.06 0.00 -0.39 0.00 0.00 64.86 63.28 3i63 h ILE 186 Cb 0.14 1.37 -0.06 0.00 -3.07 0.00 0.00 36.82 35.21 3i63 h ILE 186 CO -0.16 0.48 0.39 0.28 -0.69 0.00 0.00 178.15 178.45 3i63 h SER 187 N 0.63 0.58 -0.41 1.72 0.02 -1.70 -1.32 113.55 113.07 3i63 h SER 187 Ca 0.07 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.09 3i63 h SER 187 Cb 0.86 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 3i63 h SER 187 CO 0.08 0.37 0.18 0.58 -1.14 0.00 0.00 176.83 176.90 3i63 h VAL 188 N 0.72 0.93 -0.77 2.27 2.07 -0.82 0.34 116.25 120.98 3i63 h VAL 188 Ca 0.31 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.79 3i63 h VAL 188 Cb 0.20 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 3i63 h VAL 188 CO -0.19 0.07 0.43 0.00 0.02 0.00 0.00 177.57 177.90 3i63 h ALA 189 N 1.24 1.07 0.14 1.67 0.00 -0.62 0.11 119.26 122.87 3i63 h ALA 189 Ca 0.18 0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.81 3i63 h ALA 189 Cb 0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i63 h ALA 189 CO -0.16 0.08 -1.60 0.82 0.00 0.00 0.00 179.25 178.39 3i63 h ILE 190 N 0.76 0.94 0.24 0.00 1.08 -0.97 -2.18 117.51 117.37 3i63 h ILE 190 Ca 0.36 -2.42 -0.33 0.00 -0.39 0.00 0.00 64.86 62.08 3i63 h ILE 190 Cb 0.29 2.69 0.04 0.00 -3.07 0.00 0.00 36.82 36.76 3i63 h ILE 190 CO -0.22 0.77 -1.48 0.24 -0.69 0.00 0.00 178.15 176.76 3i63 h MET 191 N -0.14 0.52 0.00 2.37 2.86 -0.27 -1.68 114.93 118.59 3i63 h MET 191 Ca -0.34 -0.88 0.00 0.00 -2.06 0.00 0.00 59.70 56.42 3i63 h MET 191 Cb 1.90 0.33 0.00 0.00 0.06 0.00 0.00 31.60 33.88 3i63 h MET 191 CO 0.09 1.42 -0.29 1.25 1.06 0.00 0.00 176.91 180.44 3i63 h LEU 192 N 0.11 0.00 -0.10 1.22 5.85 -0.92 -2.59 115.31 118.88 3i63 h LEU 192 Ca -0.26 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.29 3i63 h LEU 192 Cb 2.14 0.00 0.01 0.00 0.37 0.00 0.00 40.66 43.18 3i63 h LEU 192 CO 0.26 0.48 -0.58 0.71 -0.34 0.00 0.00 178.44 178.98 3i63 h THR 193 N -0.68 1.35 0.17 1.05 1.35 -1.21 -0.82 112.91 114.13 3i63 h THR 193 Ca 0.00 -1.89 -0.01 0.00 -0.55 0.00 0.00 66.41 63.97 3i63 h THR 193 Cb 0.29 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 3i63 h THR 193 CO 0.00 0.57 -0.08 0.15 -0.25 0.00 0.00 175.52 175.91 3i63 h PHE 194 N 0.19 -0.21 -0.12 4.73 3.57 -1.49 -3.02 116.94 120.59 3i63 h PHE 194 Ca -0.04 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.41 3i63 h PHE 194 Cb 1.23 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 40.03 3i63 h PHE 194 CO 0.11 -0.13 -0.08 0.77 -2.23 0.00 0.00 178.31 176.75 3i63 h SER 195 N -0.84 0.28 0.05 0.41 0.02 -1.40 -2.75 113.55 109.32 3i63 h SER 195 Ca -0.02 -0.44 -0.11 0.00 -0.84 0.00 0.00 61.79 60.38 3i63 h SER 195 Cb 0.17 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3i63 h SER 195 CO 0.04 0.66 -0.50 0.15 -1.14 0.00 0.00 176.83 176.04 3i63 h PHE 196 N -0.10 0.21 0.00 3.45 3.57 -0.99 -3.15 116.94 119.93 3i63 h PHE 196 Ca 0.02 -0.15 -0.14 0.00 3.53 0.00 0.00 57.97 61.23 3i63 h PHE 196 Cb 0.57 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 3i63 h PHE 196 CO 0.07 1.19 -0.73 0.93 -2.23 0.00 0.00 178.31 177.55 3i63 h GLU 197 N -0.75 0.00 0.00 1.11 5.08 -1.22 -1.36 114.58 117.45 3i63 h GLU 197 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3i63 h GLU 197 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3i63 h GLU 197 CO 0.03 0.59 -1.20 0.25 -1.00 0.00 0.00 179.01 177.69 3i63 n THR 198 N -3.22 0.19 0.00 1.13 -2.24 -1.04 -4.62 114.28 104.48 3i63 n THR 198 Ca 0.00 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3i63 n THR 198 Cb 0.80 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 3i63 n THR 198 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i63 n GLY 199 N 1.33 -0.47 0.08 3.38 0.00 -1.18 -4.78 105.19 103.55 3i63 n GLY 199 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3i63 n GLY 199 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3i63 h PHE 200 N 0.00 0.15 0.00 1.61 0.04 -1.39 -3.33 116.94 114.02 3i63 h PHE 200 Ca 0.00 -0.11 -0.04 0.00 2.80 0.00 0.00 57.97 60.62 3i63 h PHE 200 Cb 0.00 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3i63 h PHE 200 CO 0.00 1.11 -0.19 1.79 -0.60 0.00 0.00 178.31 180.42 3i63 h THR 201 N 0.02 0.65 -0.94 -1.55 1.35 -1.66 -0.38 112.91 110.41 3i63 h THR 201 Ca -0.13 -0.85 0.20 0.00 -0.55 0.00 0.00 66.41 65.07 3i63 h THR 201 Cb 1.90 1.54 -0.08 0.00 -1.73 0.00 0.00 68.15 69.78 3i63 h THR 201 CO 0.13 0.19 0.61 0.78 -0.25 0.00 0.00 175.52 176.98 3i63 h ASN 202 N 0.00 0.56 -0.56 5.36 2.35 -1.85 0.06 115.58 121.49 3i63 h ASN 202 Ca -0.00 0.06 0.08 0.00 -0.55 0.00 0.00 56.30 55.89 3i63 h ASN 202 Cb 0.53 -0.04 -0.07 0.00 0.05 0.00 0.00 38.32 38.79 3i63 h ASN 202 CO 0.03 0.22 0.21 0.24 -1.65 0.00 0.00 177.43 176.47 3i63 h MET 203 N 0.55 0.39 0.02 0.81 2.86 -1.28 -0.76 114.93 117.52 3i63 h MET 203 Ca 0.51 -0.02 -0.27 0.00 -2.06 0.00 0.00 59.70 57.85 3i63 h MET 203 Cb 1.05 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.59 3i63 h MET 203 CO -0.25 0.25 -1.50 0.37 1.06 0.00 0.00 176.91 176.85 3i63 h GLN 204 N 0.40 0.04 -0.00 1.72 5.75 -1.43 -1.35 115.11 120.24 3i63 h GLN 204 Ca 0.28 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 3i63 h GLN 204 Cb 0.32 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.89 3i63 h GLN 204 CO -0.27 0.75 -0.85 1.19 -2.65 0.00 0.00 178.83 177.00 3i63 n PHE 205 N -3.20 0.00 0.01 3.99 3.01 -0.08 -4.03 117.46 117.15 3i63 n PHE 205 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.33 3i63 n PHE 205 Cb 1.02 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.48 3i63 n PHE 205 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3i63 n LEU 206 N -1.12 0.03 0.12 4.37 4.77 -0.64 -3.49 117.00 121.04 3i63 n LEU 206 Ca 0.05 0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.90 3i63 n LEU 206 Cb 0.37 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.38 3i63 n LEU 206 CO 0.39 -0.26 0.57 1.23 -1.33 0.00 0.00 177.39 177.99 3i63 h GLY 207 N 0.00 -0.91 2.00 -0.72 0.00 -0.94 -1.02 103.07 101.49 3i63 h GLY 207 Ca 0.00 0.52 -0.04 0.00 0.00 0.00 0.00 47.33 47.82 3i63 h GLY 207 CO 0.00 -0.27 -0.18 -2.00 0.00 0.00 0.00 176.54 174.09 3i63 h LEU 208 N -0.68 0.00 -0.99 3.11 5.85 -1.39 -2.21 115.31 118.99 3i63 h LEU 208 Ca 0.01 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3i63 h LEU 208 Cb 0.70 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 3i63 h LEU 208 CO -0.24 0.18 0.66 0.00 -0.34 0.00 0.00 178.44 178.69 3i63 h ALA 209 N 1.82 1.26 -0.30 1.25 0.00 -1.53 0.13 119.26 121.89 3i63 h ALA 209 Ca -0.00 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.90 3i63 h ALA 209 Cb 0.33 -0.40 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 3i63 h ALA 209 CO 0.02 0.65 -0.06 0.00 0.00 0.00 0.00 179.25 179.86 3i63 h ALA 210 N 1.36 0.21 -0.75 0.00 0.00 -0.58 0.13 119.26 119.63 3i63 h ALA 210 Ca 0.36 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 3i63 h ALA 210 Cb -0.16 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3i63 h ALA 210 CO -0.08 -0.46 0.44 -0.44 0.00 0.00 0.00 179.25 178.72 3i63 h ASP 211 N 0.01 0.91 -0.89 0.00 5.19 -1.30 -1.36 116.42 118.98 3i63 h ASP 211 Ca 0.14 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 3i63 h ASP 211 Cb 0.22 -0.23 -0.04 0.00 0.18 0.00 0.00 39.33 39.45 3i63 h ASP 211 CO -0.30 0.71 0.51 0.00 -3.12 0.00 0.00 179.24 177.04 3i63 h ALA 212 N 1.23 1.14 -0.45 3.45 0.00 -0.55 -0.45 119.26 123.64 3i63 h ALA 212 Ca 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3i63 h ALA 212 Cb -0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 3i63 h ALA 212 CO -0.05 0.63 0.23 0.00 0.00 0.00 0.00 179.25 180.06 3i63 h ALA 213 N 1.28 0.58 -0.17 0.00 0.00 -0.20 -0.69 119.26 120.05 3i63 h ALA 213 Ca 0.32 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3i63 h ALA 213 Cb -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3i63 h ALA 213 CO -0.05 0.12 -0.02 0.93 0.00 0.00 0.00 179.25 180.23 3i63 h GLU 214 N 0.59 0.24 0.00 0.00 4.39 -0.91 -0.45 114.58 118.44 3i63 h GLU 214 Ca 0.16 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3i63 h GLU 214 Cb 0.09 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3i63 h GLU 214 CO -0.02 0.28 0.00 0.00 -1.16 0.00 0.00 179.01 178.11 3i63 n ALA 215 N -2.50 2.57 -1.01 3.43 0.00 -0.21 -4.85 120.51 117.94 3i63 n ALA 215 Ca -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 53.44 53.26 3i63 n ALA 215 Cb 0.18 -1.49 -0.00 0.00 0.00 0.00 0.00 19.45 18.14 3i63 n ALA 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i63 n GLY 216 N 1.06 0.47 3.18 0.00 0.00 -0.18 -4.96 105.19 104.76 3i63 n GLY 216 Ca 0.19 -0.33 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 3i63 n GLY 216 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i63 n ASP 217 N 0.53 5.91 0.16 1.61 -0.08 -0.33 -4.86 116.55 119.49 3i63 n ASP 217 Ca -0.00 -3.21 0.03 0.00 -1.51 0.00 0.00 54.79 50.09 3i63 n ASP 217 Cb 0.04 -1.32 0.23 0.00 2.34 0.00 0.00 41.12 42.41 3i63 n ASP 217 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3i63 h TYR 218 N 6.07 0.00 -0.48 -0.67 0.05 -1.91 -1.65 116.97 118.38 3i63 h TYR 218 Ca 0.19 0.00 0.09 0.00 0.05 0.00 0.00 58.73 59.06 3i63 h TYR 218 Cb 0.75 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.41 3i63 h TYR 218 CO 0.87 0.49 -0.02 1.15 -1.05 0.00 0.00 178.16 179.60 3i63 h THR 219 N 0.00 0.60 -0.01 -2.88 2.02 -1.90 -0.50 112.91 110.25 3i63 h THR 219 Ca -0.00 -0.03 -0.11 0.00 0.77 0.00 0.00 66.41 67.03 3i63 h THR 219 Cb 1.06 0.50 0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3i63 h THR 219 CO 0.06 0.02 -0.43 0.15 0.37 0.00 0.00 175.52 175.69 3i63 h PHE 220 N 0.09 0.44 -0.59 3.16 3.57 -1.93 -1.39 116.94 120.29 3i63 h PHE 220 Ca 0.24 -0.24 0.01 0.00 3.53 0.00 0.00 57.97 61.52 3i63 h PHE 220 Cb 0.37 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 3i63 h PHE 220 CO -0.33 1.04 0.38 0.00 -2.23 0.00 0.00 178.31 177.18 3i63 h ALA 221 N 0.30 0.75 -0.44 2.41 0.00 -1.25 -1.49 119.26 119.54 3i63 h ALA 221 Ca -0.05 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3i63 h ALA 221 Cb 1.15 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3i63 h ALA 221 CO 0.08 0.15 0.24 -0.97 0.00 0.00 0.00 179.25 178.75 3i63 h ASN 222 N 0.77 0.36 0.54 0.00 -1.24 -1.15 -1.92 115.58 112.94 3i63 h ASN 222 Ca 0.22 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.22 3i63 h ASN 222 Cb -0.06 -0.06 0.01 0.00 0.73 0.00 0.00 38.32 38.94 3i63 h ASN 222 CO -0.06 0.26 -0.26 0.25 -1.29 0.00 0.00 177.43 176.33 3i63 h LEU 223 N 0.48 -0.62 -0.62 0.34 5.85 -0.86 -2.22 115.31 117.66 3i63 h LEU 223 Ca 0.18 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.77 3i63 h LEU 223 Cb 0.06 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3i63 h LEU 223 CO -0.11 -0.44 -0.68 0.16 -0.34 0.00 0.00 178.44 177.03 3i63 h ILE 224 N -0.73 1.48 -0.13 4.05 3.07 -1.22 -1.51 117.51 122.52 3i63 h ILE 224 Ca -0.07 -2.31 -0.13 0.00 1.55 0.00 0.00 64.86 63.90 3i63 h ILE 224 Cb 0.56 2.24 -0.01 0.00 -0.27 0.00 0.00 36.82 39.34 3i63 h ILE 224 CO 0.12 0.66 -0.48 0.77 -1.05 0.00 0.00 178.15 178.18 3i63 h SER 225 N 0.03 0.34 -0.33 2.16 4.64 -1.38 -1.76 113.55 117.25 3i63 h SER 225 Ca -0.01 -0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 61.13 3i63 h SER 225 Cb 1.21 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 3i63 h SER 225 CO 0.09 0.77 0.14 -1.28 -0.87 0.00 0.00 176.83 175.69 3i63 h SER 226 N 0.26 0.45 -0.71 4.97 0.87 -0.89 -2.37 113.55 116.13 3i63 h SER 226 Ca 0.01 -0.15 0.12 0.00 -1.23 0.00 0.00 61.79 60.54 3i63 h SER 226 Cb 0.94 -0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 62.70 3i63 h SER 226 CO 0.08 0.47 0.29 0.40 -0.53 0.00 0.00 176.83 177.54 3i63 h ILE 227 N 0.39 0.73 0.00 2.23 2.04 -1.13 -2.20 117.51 119.57 3i63 h ILE 227 Ca 0.11 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 3i63 h ILE 227 Cb 0.16 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3i63 h ILE 227 CO -0.01 0.09 -0.11 -0.61 0.00 0.00 0.00 178.15 177.50 3i63 h GLN 228 N 0.47 0.00 0.00 2.37 5.75 -0.83 -1.48 115.11 121.39 3i63 h GLN 228 Ca 0.37 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.82 3i63 h GLN 228 Cb 0.50 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.04 3i63 h GLN 228 CO -0.35 0.11 -0.23 1.79 -2.65 0.00 0.00 178.83 177.50 3i63 h THR 229 N 0.00 1.05 -0.15 2.39 1.35 -0.95 -0.31 112.91 116.29 3i63 h THR 229 Ca -0.00 -0.82 -0.09 0.00 -0.55 0.00 0.00 66.41 64.95 3i63 h THR 229 Cb 0.44 1.46 -0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3i63 h THR 229 CO 0.01 0.23 -0.24 0.44 -0.25 0.00 0.00 175.52 175.71 3i63 h ASP 230 N 0.00 0.47 -0.66 5.36 3.32 -1.32 -3.23 116.42 120.36 3i63 h ASP 230 Ca -0.00 -0.53 0.14 0.00 0.02 0.00 0.00 57.03 56.66 3i63 h ASP 230 Cb 0.44 -0.14 -0.11 0.00 0.22 0.00 0.00 39.33 39.74 3i63 h ASP 230 CO 0.03 0.91 0.03 -0.08 -1.72 0.00 0.00 179.24 178.42 3i63 h GLU 231 N 0.05 0.14 -0.60 3.56 4.57 -1.27 -0.76 114.58 120.26 3i63 h GLU 231 Ca 0.01 -0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.31 3i63 h GLU 231 Cb 0.81 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.34 3i63 h GLU 231 CO 0.05 0.09 0.41 0.77 -1.18 0.00 0.00 179.01 179.16 3i63 h SER 232 N 0.14 0.24 0.00 1.04 0.02 -1.07 0.18 113.55 114.10 3i63 h SER 232 Ca 0.35 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.30 3i63 h SER 232 Cb 0.58 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 3i63 h SER 232 CO -0.54 0.13 -0.15 -0.09 -1.14 0.00 0.00 176.83 175.04 3i63 h ARG 233 N 0.26 0.00 0.00 3.45 2.43 -1.46 -3.36 114.38 115.70 3i63 h ARG 233 Ca 0.29 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 3i63 h ARG 233 Cb 0.78 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.33 3i63 h ARG 233 CO -0.06 0.32 -0.06 1.12 -1.51 0.00 0.00 179.97 179.78 3i63 h HIS 234 N -1.00 0.00 0.00 2.20 2.07 -0.96 -2.45 115.15 115.01 3i63 h HIS 234 Ca -0.02 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.48 3i63 h HIS 234 Cb 0.41 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.39 3i63 h HIS 234 CO 0.05 0.06 -0.09 0.00 -3.07 0.00 0.00 177.93 174.89 3i63 h ALA 235 N 1.94 1.21 0.00 6.11 0.00 -0.84 -2.60 119.26 125.08 3i63 h ALA 235 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i63 h ALA 235 Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3i63 h ALA 235 CO 0.01 0.11 0.00 1.04 0.00 0.00 0.00 179.25 180.41 3i63 n GLN 236 N -3.49 0.61 0.21 0.00 1.13 -0.92 -2.81 117.38 112.10 3i63 n GLN 236 Ca -0.02 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.13 3i63 n GLN 236 Cb 0.23 -1.04 0.40 0.00 0.11 0.00 0.00 30.24 29.94 3i63 n GLN 236 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3i63 h GLN 237 N 0.00 0.00 -0.04 -1.09 4.20 -1.66 -3.38 115.11 113.14 3i63 h GLN 237 Ca 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 3i63 h GLN 237 Cb 0.00 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.79 3i63 h GLN 237 CO 0.00 0.28 -0.47 0.78 -0.67 0.00 0.00 178.83 178.75 3i63 h GLY 238 N 2.12 0.44 0.47 3.46 0.00 -1.68 -3.26 103.07 104.61 3i63 h GLY 238 Ca -0.00 -0.68 0.07 0.00 0.00 0.00 0.00 47.33 46.71 3i63 h GLY 238 CO 0.04 0.61 0.12 -1.33 0.00 0.00 0.00 176.54 175.97 3i63 h GLY 239 N -0.11 0.58 2.00 4.60 0.00 -1.80 -0.77 103.07 107.57 3i63 h GLY 239 Ca -0.05 -0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.13 3i63 h GLY 239 CO 0.10 -0.03 -0.50 -0.56 0.00 0.00 0.00 176.54 175.55 3i63 h PRO 240 N 0.27 0.00 -0.41 4.80 0.13 -1.79 -0.30 132.00 134.70 3i63 h PRO 240 Ca 0.23 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.33 3i63 h PRO 240 Cb 0.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.39 3i63 h PRO 240 CO -0.27 0.50 0.13 0.00 -0.23 0.00 0.00 178.00 178.13 3i63 h ALA 241 N 1.50 0.54 -0.32 -0.56 0.00 -1.41 -1.87 119.26 117.14 3i63 h ALA 241 Ca -0.00 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.81 3i63 h ALA 241 Cb 0.90 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 3i63 h ALA 241 CO 0.06 0.18 -0.26 1.25 0.00 0.00 0.00 179.25 180.48 3i63 h LEU 242 N 0.52 -0.85 -0.94 0.00 5.85 -0.73 0.30 115.31 119.46 3i63 h LEU 242 Ca 0.13 0.16 0.01 0.00 0.84 0.00 0.00 57.88 59.02 3i63 h LEU 242 Cb 0.25 0.41 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 3i63 h LEU 242 CO -0.01 -0.28 0.62 1.56 -0.34 0.00 0.00 178.44 180.00 3i63 h GLN 243 N -0.23 1.24 -0.35 1.25 4.20 -1.02 -0.49 115.11 119.71 3i63 h GLN 243 Ca 0.16 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 3i63 h GLN 243 Cb 0.48 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3i63 h GLN 243 CO -0.45 0.82 0.02 1.25 -0.67 0.00 0.00 178.83 179.80 3i63 h LEU 244 N 1.28 0.59 -0.18 1.46 6.46 -0.89 -0.74 115.31 123.29 3i63 h LEU 244 Ca 0.35 -0.29 0.04 0.00 -0.12 0.00 0.00 57.88 57.85 3i63 h LEU 244 Cb -0.15 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 39.59 3i63 h LEU 244 CO -0.07 0.74 -0.06 -0.07 -0.62 0.00 0.00 178.44 178.35 3i63 h LEU 245 N 0.42 -0.21 -0.64 2.25 3.38 -0.40 -1.89 115.31 118.22 3i63 h LEU 245 Ca 0.10 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.17 3i63 h LEU 245 Cb 0.42 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3i63 h LEU 245 CO 0.01 -0.08 0.38 0.40 0.09 0.00 0.00 178.44 179.24 3i63 h ILE 246 N -0.03 1.05 0.00 1.22 2.04 -0.96 -0.18 117.51 120.65 3i63 h ILE 246 Ca 0.09 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3i63 h ILE 246 Cb 0.16 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3i63 h ILE 246 CO -0.20 0.13 0.00 -0.33 0.00 0.00 0.00 178.15 177.76 3i63 h GLU 247 N 0.74 0.00 -0.47 2.37 5.08 -0.75 -2.64 114.58 118.91 3i63 h GLU 247 Ca 0.26 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.37 3i63 h GLU 247 Cb 0.06 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.16 3i63 h GLU 247 CO -0.12 0.00 0.01 0.09 -1.00 0.00 0.00 179.01 177.99 3i63 n ASN 248 N -3.01 2.85 0.00 1.42 4.13 -0.67 -4.94 115.26 115.04 3i63 n ASN 248 Ca -0.00 -3.78 0.00 0.00 1.68 0.00 0.00 54.58 52.48 3i63 n ASN 248 Cb 0.25 -0.66 0.00 0.00 -1.54 0.00 0.00 39.78 37.82 3i63 n ASN 248 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i63 n GLY 249 N -1.11 0.74 0.99 7.41 0.00 -1.00 -4.93 105.19 107.29 3i63 n GLY 249 Ca 0.38 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.41 3i63 n GLY 249 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i63 n LYS 250 N -2.43 2.09 -0.31 1.61 4.76 -0.17 -4.72 118.16 118.99 3i63 n LYS 250 Ca 0.00 -3.05 -0.04 0.00 -2.87 0.00 0.00 58.31 52.35 3i63 n LYS 250 Cb 0.00 -1.80 0.08 0.00 -1.84 0.00 0.00 35.03 31.47 3i63 n LYS 250 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3i63 h ARG 251 N 1.14 1.12 -0.45 1.97 2.43 -1.80 -1.55 114.38 117.24 3i63 h ARG 251 Ca 0.14 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3i63 h ARG 251 Cb 1.53 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 3i63 h ARG 251 CO 0.30 0.77 0.14 1.49 -1.51 0.00 0.00 179.97 181.16 3i63 h GLU 252 N 1.15 0.71 -0.55 0.20 4.81 -1.95 -0.20 114.58 118.73 3i63 h GLU 252 Ca 0.30 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 3i63 h GLU 252 Cb -0.09 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 3i63 h GLU 252 CO -0.06 0.68 0.14 0.93 -0.73 0.00 0.00 179.01 179.96 3i63 h GLU 253 N 0.60 0.85 0.34 1.92 3.07 -1.89 -1.64 114.58 117.83 3i63 h GLU 253 Ca 0.15 -0.17 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 3i63 h GLU 253 Cb 0.27 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 3i63 h GLU 253 CO -0.00 0.76 -0.17 0.00 -1.40 0.00 0.00 179.01 178.20 3i63 h ALA 254 N 1.33 -0.46 -0.68 3.43 0.00 -0.73 -2.60 119.26 119.55 3i63 h ALA 254 Ca 0.18 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.09 3i63 h ALA 254 Cb 0.29 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.16 3i63 h ALA 254 CO -0.00 -0.69 0.14 0.37 0.00 0.00 0.00 179.25 179.06 3i63 h GLN 255 N -0.60 0.24 -0.49 0.00 5.75 -0.95 -1.48 115.11 117.58 3i63 h GLN 255 Ca -0.05 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 3i63 h GLN 255 Cb 0.44 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 3i63 h GLN 255 CO 0.08 0.16 0.13 0.87 -2.65 0.00 0.00 178.83 177.41 3i63 h LYS 256 N 0.25 0.73 -0.32 1.69 1.57 -1.20 0.12 116.57 119.41 3i63 h LYS 256 Ca 0.37 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 3i63 h LYS 256 Cb 0.60 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 3i63 h LYS 256 CO -0.48 0.66 -0.32 0.87 -0.57 0.00 0.00 179.45 179.61 3i63 h LYS 257 N 0.71 0.77 0.02 3.15 1.57 -1.02 -1.58 116.57 120.19 3i63 h LYS 257 Ca 0.16 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3i63 h LYS 257 Cb 0.25 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3i63 h LYS 257 CO -0.00 1.04 -0.01 0.28 -0.57 0.00 0.00 179.45 180.18 3i63 h VAL 258 N 0.54 1.06 -0.51 0.50 2.07 -1.08 -1.56 116.25 117.27 3i63 h VAL 258 Ca 0.05 -0.24 0.10 0.00 0.82 0.00 0.00 66.70 67.43 3i63 h VAL 258 Cb 0.89 1.23 -0.09 0.00 -1.52 0.00 0.00 31.29 31.80 3i63 h VAL 258 CO 0.08 0.06 -0.02 0.44 0.02 0.00 0.00 177.57 178.15 3i63 h ASP 259 N -0.12 -0.27 -0.34 0.57 3.32 -0.71 -1.90 116.42 116.96 3i63 h ASP 259 Ca -0.00 0.13 0.06 0.00 0.02 0.00 0.00 57.03 57.24 3i63 h ASP 259 Cb 0.12 0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 3i63 h ASP 259 CO 0.00 -0.10 0.01 0.24 -1.72 0.00 0.00 179.24 177.67 3i63 h MET 260 N 0.09 0.10 -0.07 3.56 2.86 -1.21 -2.84 114.93 117.41 3i63 h MET 260 Ca 0.26 -0.01 -0.24 0.00 -2.06 0.00 0.00 59.70 57.66 3i63 h MET 260 Cb 0.40 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.05 3i63 h MET 260 CO -0.45 0.07 -0.89 0.00 1.06 0.00 0.00 176.91 176.70 3i63 h ALA 261 N 1.29 0.28 -0.09 6.32 0.00 -1.06 -2.58 119.26 123.42 3i63 h ALA 261 Ca 0.17 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3i63 h ALA 261 Cb 0.22 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3i63 h ALA 261 CO -0.27 0.71 0.06 0.82 0.00 0.00 0.00 179.25 180.56 3i63 h ILE 262 N 0.43 1.02 -0.26 0.00 2.04 -1.39 -0.96 117.51 118.39 3i63 h ILE 262 Ca -0.08 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 3i63 h ILE 262 Cb 1.52 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 3i63 h ILE 262 CO 0.17 0.02 -0.01 -0.25 0.00 0.00 0.00 178.15 178.09 3i63 h TRP 263 N 0.12 0.52 -0.78 1.37 2.91 -1.56 -0.01 115.95 118.52 3i63 h TRP 263 Ca 0.03 -0.09 0.11 0.00 1.13 0.00 0.00 58.89 60.07 3i63 h TRP 263 Cb -0.01 -0.13 -0.08 0.00 -0.51 0.00 0.00 29.16 28.43 3i63 h TRP 263 CO -0.07 0.64 0.42 0.00 -1.03 0.00 0.00 178.44 178.39 3i63 h ARG 264 N 0.25 0.66 -0.50 2.65 3.08 -1.44 -2.57 114.38 116.50 3i63 h ARG 264 Ca 0.07 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 3i63 h ARG 264 Cb 0.43 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3i63 h ARG 264 CO 0.02 0.44 -0.01 0.00 -1.07 0.00 0.00 179.97 179.34 3i63 h ALA 265 N 1.47 0.67 -0.30 0.04 0.00 -0.95 -3.03 119.26 117.17 3i63 h ALA 265 Ca 0.39 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3i63 h ALA 265 Cb 0.43 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3i63 h ALA 265 CO -0.28 0.50 -0.00 2.35 0.00 0.00 0.00 179.25 181.81 3i63 h TRP 266 N 0.75 -0.02 0.00 0.00 -0.00 -0.62 -0.60 115.95 115.45 3i63 h TRP 266 Ca 0.14 0.02 -0.11 0.00 -0.00 0.00 0.00 58.89 58.94 3i63 h TRP 266 Cb 0.54 0.06 -0.02 0.00 -0.00 0.00 0.00 29.16 29.74 3i63 h TRP 266 CO 0.04 -0.05 -0.53 0.00 -0.00 0.00 0.00 178.44 177.90 3i63 h ARG 267 N 0.08 0.00 -0.15 2.65 2.47 -1.40 -0.75 114.38 117.29 3i63 h ARG 267 Ca 0.14 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.77 3i63 h ARG 267 Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 3i63 h ARG 267 CO -0.24 0.53 -0.26 1.25 0.56 0.00 0.00 179.97 181.80 3i63 h LEU 268 N 0.00 0.49 -1.46 3.04 5.85 -1.32 -3.12 115.31 118.79 3i63 h LEU 268 Ca -0.01 -0.54 -0.04 0.00 0.84 0.00 0.00 57.88 58.13 3i63 h LEU 268 Cb 0.95 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3i63 h LEU 268 CO 0.07 0.94 -0.02 -0.26 -0.34 0.00 0.00 178.44 178.82 3i63 h PHE 269 N 0.05 0.32 0.00 1.25 -1.00 -0.74 -2.29 116.94 114.54 3i63 h PHE 269 Ca 0.01 -0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.74 3i63 h PHE 269 Cb 0.85 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 40.31 3i63 h PHE 269 CO 0.10 0.36 -0.13 0.00 -1.61 0.00 0.00 178.31 177.02 3i63 h ALA 270 N 1.67 1.58 0.00 2.45 0.00 -1.15 0.78 119.26 124.58 3i63 h ALA 270 Ca 0.07 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3i63 h ALA 270 Cb 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3i63 h ALA 270 CO 0.01 0.16 -1.53 1.55 0.00 0.00 0.00 179.25 179.44 3i63 n VAL 271 N -4.08 0.77 -0.10 0.00 3.14 -0.90 -3.84 118.33 113.32 3i63 n VAL 271 Ca -0.02 -0.62 -0.13 0.00 -2.96 0.00 0.00 64.34 60.60 3i63 n VAL 271 Cb 0.21 -0.42 -0.05 0.00 -1.06 0.00 0.00 33.84 32.53 3i63 n VAL 271 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3i63 n LEU 272 N -2.66 1.91 0.07 6.55 7.94 -0.98 -4.51 117.00 125.31 3i63 n LEU 272 Ca -0.08 0.41 -0.15 0.00 -1.11 0.00 0.00 56.01 55.08 3i63 n LEU 272 Cb 0.73 -0.80 -0.14 0.00 0.53 0.00 0.00 43.42 43.73 3i63 n LEU 272 CO 0.43 -0.12 -0.21 0.74 -1.11 0.00 0.00 177.39 177.12 3i63 h THR 273 N -1.00 1.30 0.19 1.96 2.02 -1.14 -3.26 112.91 112.99 3i63 h THR 273 Ca -0.16 -2.94 -0.01 0.00 0.77 0.00 0.00 66.41 64.08 3i63 h THR 273 Cb 1.03 2.81 -0.00 0.00 -1.74 0.00 0.00 68.15 70.25 3i63 h THR 273 CO -0.10 0.84 -0.11 1.23 0.37 0.00 0.00 175.52 177.75 3i63 h GLY 274 N 1.88 -0.29 1.11 2.16 0.00 -1.36 -1.11 103.07 105.45 3i63 h GLY 274 Ca -0.19 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3i63 h GLY 274 CO 0.17 -0.11 0.56 -2.55 0.00 0.00 0.00 176.54 174.61 3i63 h PRO 275 N -0.29 1.19 -0.25 4.80 0.11 -1.74 -1.91 132.00 133.92 3i63 h PRO 275 Ca -0.02 -0.09 0.03 0.00 0.11 0.00 0.00 66.00 66.03 3i63 h PRO 275 Cb 0.23 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 31.06 3i63 h PRO 275 CO 0.02 0.81 0.07 0.28 -0.21 0.00 0.00 178.00 178.97 3i63 h VAL 276 N 1.21 0.91 0.00 3.15 2.07 -1.51 0.17 116.25 122.25 3i63 h VAL 276 Ca 0.32 -0.06 -0.19 0.00 0.82 0.00 0.00 66.70 67.60 3i63 h VAL 276 Cb -0.10 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3i63 h VAL 276 CO -0.07 0.03 -0.85 0.24 0.02 0.00 0.00 177.57 176.94 3i63 h MET 277 N 0.17 0.14 -0.00 1.57 2.86 -0.70 -1.03 114.93 117.94 3i63 h MET 277 Ca 0.11 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3i63 h MET 277 Cb 0.10 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3i63 h MET 277 CO -0.13 0.91 -0.59 -0.25 1.06 0.00 0.00 176.91 177.90 3i63 n ASP 278 N -3.64 0.67 0.00 1.22 9.92 -0.76 -4.63 116.55 119.33 3i63 n ASP 278 Ca -0.03 -0.83 0.00 0.00 -0.53 0.00 0.00 54.79 53.40 3i63 n ASP 278 Cb 0.80 0.97 0.00 0.00 -0.64 0.00 0.00 41.12 42.24 3i63 n ASP 278 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3i63 n TYR 279 N -1.23 0.00 -0.03 1.24 4.01 0.46 -4.95 117.16 116.67 3i63 n TYR 279 Ca 0.03 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.60 3i63 n TYR 279 Cb 0.21 0.24 -0.08 0.00 -0.31 0.00 0.00 39.34 39.40 3i63 n TYR 279 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 3i63 h TYR 280 N 0.00 0.87 -2.79 -0.72 0.99 -1.01 -3.40 116.97 110.92 3i63 h TYR 280 Ca 0.00 -0.38 -0.52 0.00 2.00 0.00 0.00 58.73 59.82 3i63 h TYR 280 Cb 0.42 -0.14 0.05 0.00 1.00 0.00 0.00 36.73 38.06 3i63 h TYR 280 CO 0.00 1.19 0.91 0.99 -0.00 0.00 0.00 178.16 181.25 3i63 s THR 281 N -3.71 2.50 0.42 -2.88 2.01 -0.41 -3.62 115.64 109.95 3i63 s THR 281 Ca -0.12 0.36 -0.26 0.00 0.31 0.00 0.00 61.69 61.98 3i63 s THR 281 Cb 0.07 -3.23 -0.10 0.00 0.01 0.00 0.00 72.50 69.25 3i63 s THR 281 CO 0.86 0.03 1.35 -2.65 -0.69 0.00 0.00 174.62 173.52 3i63 n PRO 282 N 4.00 2.14 -0.35 4.92 -0.02 -1.26 -4.79 135.00 139.63 3i63 n PRO 282 Ca 0.14 0.76 0.10 0.00 -2.02 0.00 0.00 63.50 62.48 3i63 n PRO 282 Cb 0.38 -2.49 0.21 0.00 -0.02 0.00 0.00 33.50 31.57 3i63 n PRO 282 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i63 h LEU 283 N 2.28 -0.72 -0.00 2.45 5.85 -1.90 0.50 115.31 123.77 3i63 h LEU 283 Ca -0.49 0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3i63 h LEU 283 Cb 1.28 0.55 0.00 0.00 0.37 0.00 0.00 40.66 42.86 3i63 h LEU 283 CO 0.61 -0.34 0.00 -1.84 -0.34 0.00 0.00 178.44 176.53 3i63 n GLU 284 N -5.56 0.00 -0.27 1.25 0.00 -1.26 -2.25 120.64 112.55 3i63 n GLU 284 Ca 0.19 0.17 0.09 0.00 0.00 0.00 0.00 57.16 57.62 3i63 n GLU 284 Cb 0.61 -1.50 0.24 0.00 0.00 0.00 0.00 31.44 30.79 3i63 n GLU 284 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3i63 n ASP 285 N -1.51 3.46 -4.54 -1.84 10.43 0.17 -4.87 116.55 117.86 3i63 n ASP 285 Ca 0.05 -1.98 -0.41 0.00 2.57 0.00 0.00 54.79 55.01 3i63 n ASP 285 Cb 0.22 -0.35 -0.03 0.00 1.84 0.00 0.00 41.12 42.80 3i63 n ASP 285 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 3i63 s ARG 286 N -1.05 3.30 0.16 -1.24 0.52 -0.95 -4.49 118.95 115.20 3i63 s ARG 286 Ca 0.37 -0.61 -0.15 0.00 -0.52 0.00 0.00 55.73 54.82 3i63 s ARG 286 Cb 0.20 -4.52 0.07 0.00 0.52 0.00 0.00 34.95 31.21 3i63 s ARG 286 CO 0.26 -2.11 1.78 1.03 0.02 0.00 0.00 175.30 176.29 3i63 h SER 287 N 9.86 0.32 -5.18 0.23 0.87 -1.89 -3.44 113.55 114.32 3i63 h SER 287 Ca -0.14 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.34 3i63 h SER 287 Cb 1.04 -0.05 -0.14 0.00 -0.44 0.00 0.00 62.40 62.81 3i63 h SER 287 CO 1.30 0.23 -0.47 -1.10 -0.53 0.00 0.00 176.83 176.26 3i63 s GLN 288 N -6.15 0.77 0.76 2.24 -0.21 -1.26 -5.11 119.66 110.69 3i63 s GLN 288 Ca -0.13 -1.04 -0.11 0.00 0.02 0.00 0.00 55.36 54.10 3i63 s GLN 288 Cb 0.12 0.30 0.05 0.00 1.00 0.00 0.00 33.01 34.48 3i63 s GLN 288 CO 0.72 -0.21 1.09 -1.54 -2.12 0.00 0.00 175.29 173.23 3i63 s SER 289 N -2.87 4.61 0.28 5.90 1.04 -1.26 -4.82 113.70 116.58 3i63 s SER 289 Ca 0.05 1.83 0.02 0.00 0.48 0.00 0.00 55.95 58.34 3i63 s SER 289 Cb 0.06 -2.52 0.69 0.00 0.10 0.00 0.00 66.02 64.34 3i63 s SER 289 CO -0.11 -1.96 1.69 0.15 0.98 0.00 0.00 173.24 173.99 3i63 h PHE 290 N -0.98 0.58 -0.38 5.02 3.57 -1.89 -0.61 116.94 122.25 3i63 h PHE 290 Ca -0.44 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 60.97 3i63 h PHE 290 Cb 1.23 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 3i63 h PHE 290 CO 0.58 -0.06 -0.28 -0.22 -2.23 0.00 0.00 178.31 176.10 3i63 h LYS 291 N 0.37 0.85 -0.62 1.11 3.64 -1.92 0.21 116.57 120.22 3i63 h LYS 291 Ca 0.54 -0.41 0.04 0.00 -1.27 0.00 0.00 60.65 59.55 3i63 h LYS 291 Cb 1.01 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.78 3i63 h LYS 291 CO -0.53 1.05 0.36 0.93 -2.27 0.00 0.00 179.45 178.99 3i63 h GLU 292 N 0.65 0.67 -0.60 1.90 5.08 -1.79 -0.87 114.58 119.61 3i63 h GLU 292 Ca 0.07 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3i63 h GLU 292 Cb 0.85 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 3i63 h GLU 292 CO 0.07 0.44 0.20 0.74 -1.00 0.00 0.00 179.01 179.47 3i63 h PHE 293 N 0.69 0.96 -0.53 4.33 0.05 -0.81 -1.13 116.94 120.50 3i63 h PHE 293 Ca 0.26 -0.09 0.09 0.00 3.82 0.00 0.00 57.97 62.05 3i63 h PHE 293 Cb 0.10 -0.28 -0.07 0.00 2.00 0.00 0.00 35.95 37.70 3i63 h PHE 293 CO -0.07 0.79 0.12 0.52 -0.18 0.00 0.00 178.31 179.49 3i63 h MET 294 N 0.85 0.26 -0.34 1.51 2.86 -0.63 0.24 114.93 119.68 3i63 h MET 294 Ca 0.20 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.73 3i63 h MET 294 Cb 0.27 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3i63 h MET 294 CO -0.01 0.17 -0.17 1.88 1.06 0.00 0.00 176.91 179.84 3i63 h TYR 295 N 0.27 0.69 0.65 -0.22 0.05 -0.75 0.18 116.97 117.84 3i63 h TYR 295 Ca 0.27 -0.13 -0.03 0.00 0.05 0.00 0.00 58.73 58.88 3i63 h TYR 295 Cb 0.36 -0.18 0.01 0.00 1.01 0.00 0.00 36.73 37.93 3i63 h TYR 295 CO -0.22 0.76 -0.31 1.49 -1.05 0.00 0.00 178.16 178.83 3i63 h GLU 296 N 0.56 -0.84 0.19 4.88 4.81 -0.86 0.52 114.58 123.84 3i63 h GLU 296 Ca 0.09 0.06 -0.33 0.00 -0.13 0.00 0.00 59.36 59.04 3i63 h GLU 296 Cb 0.61 0.19 0.01 0.00 0.63 0.00 0.00 28.75 30.20 3i63 h GLU 296 CO 0.04 -0.53 -1.60 -1.49 -0.73 0.00 0.00 179.01 174.70 3i63 h TRP 297 N -1.16 0.72 0.00 0.92 4.06 -0.48 -0.97 115.95 119.04 3i63 h TRP 297 Ca -0.09 -0.53 -0.37 0.00 2.06 0.00 0.00 58.89 59.97 3i63 h TRP 297 Cb 0.70 -0.03 -0.05 0.00 -1.00 0.00 0.00 29.16 28.78 3i63 h TRP 297 CO 0.00 1.56 -2.08 -0.89 -3.56 0.00 0.00 178.44 173.48 3i63 n ILE 298 N -3.59 1.53 -0.04 1.49 2.08 0.56 -1.39 119.36 119.99 3i63 n ILE 298 Ca -0.20 -0.25 -0.13 0.00 0.56 0.00 0.00 62.75 62.73 3i63 n ILE 298 Cb 1.08 -1.97 -0.11 0.00 -0.75 0.00 0.00 39.64 37.89 3i63 n ILE 298 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 3i63 h ILE 299 N -1.00 1.54 -0.00 1.39 5.03 -1.42 0.31 117.51 123.35 3i63 h ILE 299 Ca -0.55 -1.81 -0.03 0.00 -0.12 0.00 0.00 64.86 62.35 3i63 h ILE 299 Cb 1.47 2.74 0.00 0.00 -3.03 0.00 0.00 36.82 38.00 3i63 h ILE 299 CO -0.33 0.46 -0.13 1.23 -0.68 0.00 0.00 178.15 178.70 3i63 h GLY 300 N -0.81 0.10 0.00 5.37 0.00 0.03 -3.24 103.07 104.52 3i63 h GLY 300 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3i63 h GLY 300 CO 0.00 0.15 -0.29 -1.61 0.00 0.00 0.00 176.54 174.79 3i63 h GLN 301 N -0.62 0.00 -0.37 4.80 4.15 -1.25 -3.37 115.11 118.46 3i63 h GLN 301 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 3i63 h GLN 301 Cb 0.88 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.55 3i63 h GLN 301 CO 0.02 0.00 0.15 0.35 -1.93 0.00 0.00 178.83 177.43 3i63 h PHE 302 N -0.68 0.56 -0.95 3.99 3.57 -1.15 -2.44 116.94 119.84 3i63 h PHE 302 Ca 0.00 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.48 3i63 h PHE 302 Cb 0.29 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 3i63 h PHE 302 CO -0.13 0.50 0.63 1.49 -2.23 0.00 0.00 178.31 178.57 3i63 h GLU 303 N 0.45 1.23 -0.35 1.11 4.81 -0.41 -1.76 114.58 119.65 3i63 h GLU 303 Ca 0.12 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 3i63 h GLU 303 Cb 0.18 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3i63 h GLU 303 CO -0.01 0.81 -0.11 -0.09 -0.73 0.00 0.00 179.01 178.88 3i63 h ARG 304 N 1.27 0.61 -0.50 1.92 9.65 -1.61 -2.06 114.38 123.66 3i63 h ARG 304 Ca 0.35 -0.18 -0.07 0.00 -1.10 0.00 0.00 59.98 58.98 3i63 h ARG 304 Cb -0.12 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.38 3i63 h ARG 304 CO -0.09 0.71 0.00 0.66 2.80 0.00 0.00 179.97 184.06 3i63 h SER 305 N 0.56 0.79 -0.33 -3.80 4.64 -0.85 -1.98 113.55 112.58 3i63 h SER 305 Ca 0.10 -0.19 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 3i63 h SER 305 Cb 0.52 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3i63 h SER 305 CO 0.03 0.86 0.11 0.25 -0.87 0.00 0.00 176.83 177.20 3i63 h LEU 306 N 0.77 0.47 -0.92 5.97 6.46 -0.94 -1.84 115.31 125.28 3i63 h LEU 306 Ca 0.15 -0.20 0.08 0.00 -0.12 0.00 0.00 57.88 57.79 3i63 h LEU 306 Cb 0.46 -0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 40.19 3i63 h LEU 306 CO 0.02 0.55 0.57 0.40 -0.62 0.00 0.00 178.44 179.36 3i63 h ILE 307 N 0.37 1.00 -0.01 4.05 1.08 -1.31 -2.63 117.51 120.05 3i63 h ILE 307 Ca 0.11 -0.34 -0.12 0.00 -0.39 0.00 0.00 64.86 64.12 3i63 h ILE 307 Cb 0.24 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 33.89 3i63 h ILE 307 CO -0.00 0.18 -0.55 -0.78 -0.69 0.00 0.00 178.15 176.30 3i63 h ASP 308 N 0.99 0.03 0.10 1.72 3.58 -0.56 -1.86 116.42 120.41 3i63 h ASP 308 Ca 0.42 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.86 3i63 h ASP 308 Cb 0.29 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.33 3i63 h ASP 308 CO -0.21 0.58 -0.00 0.18 -2.88 0.00 0.00 179.24 176.91 3i63 n LEU 309 N -3.88 0.01 0.00 2.28 4.77 -0.85 -4.91 117.00 114.41 3i63 n LEU 309 Ca -0.01 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3i63 n LEU 309 Cb 0.56 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3i63 n LEU 309 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3i63 n GLY 310 N 1.05 0.72 3.95 -0.72 0.00 -0.70 -4.89 105.19 104.60 3i63 n GLY 310 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 3i63 n GLY 310 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i63 s LEU 311 N 0.00 3.35 0.20 0.99 1.43 -1.01 -5.03 118.68 118.60 3i63 s LEU 311 Ca 0.00 0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 53.40 3i63 s LEU 311 Cb 0.00 -3.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.00 3i63 s LEU 311 CO 0.00 -1.01 0.42 -1.81 0.23 0.00 0.00 176.35 174.18 3i63 s ASP 312 N -4.33 6.45 0.40 2.29 1.01 -1.26 -4.24 116.67 116.99 3i63 s ASP 312 Ca 0.53 0.55 -0.23 0.00 0.71 0.00 0.00 52.55 54.11 3i63 s ASP 312 Cb -0.10 -2.07 -0.13 0.00 1.01 0.00 0.00 42.92 41.63 3i63 s ASP 312 CO 0.41 -0.04 0.62 0.29 0.21 0.00 0.00 175.17 176.66 3i63 n LYS 313 N -0.40 0.66 -1.67 8.23 5.02 -1.26 -4.89 118.16 123.85 3i63 n LYS 313 Ca -0.03 0.24 -0.33 0.00 -2.02 0.00 0.00 58.31 56.17 3i63 n LYS 313 Cb 0.53 -1.55 0.06 0.00 -0.02 0.00 0.00 35.03 34.04 3i63 n LYS 313 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3i63 s PRO 314 N -1.59 2.69 0.59 1.97 0.02 -1.26 -4.84 135.00 132.57 3i63 s PRO 314 Ca 0.63 1.38 0.29 0.00 0.02 0.00 0.00 61.00 63.33 3i63 s PRO 314 Cb -0.62 -1.94 1.75 0.00 0.02 0.00 0.00 34.50 33.71 3i63 s PRO 314 CO 0.58 -1.34 2.18 0.11 -0.33 0.00 0.00 177.00 178.20 3i63 h TRP 315 N -0.14 0.00 -0.55 6.54 5.08 -1.99 -1.61 115.95 123.29 3i63 h TRP 315 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.51 3i63 h TRP 315 Cb 1.25 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.41 3i63 h TRP 315 CO 0.55 0.00 0.00 2.48 -1.28 0.00 0.00 178.44 180.19 3i63 n TYR 316 N -3.81 1.51 -0.35 0.12 0.18 -1.26 -4.64 117.16 108.91 3i63 n TYR 316 Ca -0.01 -0.57 0.10 0.00 1.88 0.00 0.00 57.90 59.31 3i63 n TYR 316 Cb 0.19 -0.31 0.28 0.00 -0.38 0.00 0.00 39.34 39.12 3i63 n TYR 316 CO 0.00 0.00 0.00 2.35 -2.08 0.00 0.00 176.86 177.13 3i63 h TRP 317 N 3.56 1.06 -0.38 -3.48 2.91 -1.64 -1.17 115.95 116.81 3i63 h TRP 317 Ca 0.00 0.03 -0.15 0.00 1.13 0.00 0.00 58.89 59.91 3i63 h TRP 317 Cb 1.49 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 29.81 3i63 h TRP 317 CO 0.79 0.31 -0.35 -0.44 -1.03 0.00 0.00 178.44 177.72 3i63 h ASP 318 N 0.83 0.92 -0.87 2.65 3.32 -1.86 -1.70 116.42 119.71 3i63 h ASP 318 Ca 0.53 -0.40 0.14 0.00 0.02 0.00 0.00 57.03 57.32 3i63 h ASP 318 Cb 0.71 -0.26 -0.09 0.00 0.22 0.00 0.00 39.33 39.91 3i63 h ASP 318 CO -0.34 1.18 0.47 -0.07 -1.72 0.00 0.00 179.24 178.76 3i63 h LEU 319 N 0.73 0.61 -0.34 1.55 3.38 -1.68 -2.60 115.31 116.95 3i63 h LEU 319 Ca 0.07 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3i63 h LEU 319 Cb 0.92 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3i63 h LEU 319 CO 0.09 0.28 -0.01 0.15 0.09 0.00 0.00 178.44 179.03 3i63 h PHE 320 N 0.69 0.66 -0.71 1.13 3.57 -0.73 -0.68 116.94 120.87 3i63 h PHE 320 Ca 0.46 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 3i63 h PHE 320 Cb 0.61 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 3i63 h PHE 320 CO -0.07 0.73 0.34 -0.07 -2.23 0.00 0.00 178.31 177.01 3i63 h LEU 321 N 0.41 0.92 -0.28 0.59 3.38 -1.13 -1.52 115.31 117.68 3i63 h LEU 321 Ca 0.09 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3i63 h LEU 321 Cb 0.47 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3i63 h LEU 321 CO 0.02 0.79 0.08 0.50 0.09 0.00 0.00 178.44 179.92 3i63 h LYS 322 N 0.98 0.44 -0.62 1.13 3.64 -1.29 -2.98 116.57 117.88 3i63 h LYS 322 Ca 0.24 -0.10 0.10 0.00 -1.27 0.00 0.00 60.65 59.63 3i63 h LYS 322 Cb 0.11 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.79 3i63 h LYS 322 CO -0.03 0.51 0.20 0.22 -2.27 0.00 0.00 179.45 178.07 3i63 h ASP 323 N 0.29 0.16 -0.70 4.20 3.58 -0.58 -1.32 116.42 122.04 3i63 h ASP 323 Ca 0.09 0.09 0.17 0.00 0.42 0.00 0.00 57.03 57.80 3i63 h ASP 323 Cb 0.25 0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.36 3i63 h ASP 323 CO -0.00 0.09 0.48 0.40 -2.88 0.00 0.00 179.24 177.33 3i63 h ILE 324 N 0.36 0.74 0.00 2.25 2.04 -1.14 0.11 117.51 121.87 3i63 h ILE 324 Ca 0.32 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 66.04 3i63 h ILE 324 Cb 0.43 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3i63 h ILE 324 CO -0.34 0.04 -0.30 0.44 0.00 0.00 0.00 178.15 177.99 3i63 h ASP 325 N 0.21 0.00 0.00 1.72 3.32 -1.18 -3.42 116.42 117.07 3i63 h ASP 325 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 3i63 h ASP 325 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.58 3i63 h ASP 325 CO -0.07 0.30 -0.61 -0.62 -1.72 0.00 0.00 179.24 176.52 3i63 n GLU 326 N -3.34 0.00 0.16 3.56 1.02 -0.23 -4.91 120.64 116.90 3i63 n GLU 326 Ca 0.01 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.01 3i63 n GLU 326 Cb 0.53 -0.32 -0.07 0.00 -0.02 0.00 0.00 31.44 31.56 3i63 n GLU 326 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3i63 h LEU 327 N 0.00 -0.86 -2.21 -4.62 5.85 -1.11 -2.92 115.31 109.44 3i63 h LEU 327 Ca 0.00 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3i63 h LEU 327 Cb 0.61 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 3i63 h LEU 327 CO 0.00 -0.42 -0.05 1.12 -0.34 0.00 0.00 178.44 178.75 3i63 h HIS 328 N -0.59 0.00 -0.29 1.25 2.07 -1.78 -0.55 115.15 115.26 3i63 h HIS 328 Ca 0.01 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.45 3i63 h HIS 328 Cb 0.58 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.54 3i63 h HIS 328 CO -0.23 0.05 -0.16 0.45 -3.07 0.00 0.00 177.93 174.98 3i63 h HIS 329 N 0.00 0.55 0.11 6.12 3.86 -1.85 0.76 115.15 124.69 3i63 h HIS 329 Ca -0.00 -0.09 -0.30 0.00 -1.16 0.00 0.00 60.37 58.82 3i63 h HIS 329 Cb 0.23 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 3i63 h HIS 329 CO 0.00 0.64 -1.51 0.77 0.86 0.00 0.00 177.93 178.69 3i63 h SER 330 N 0.46 0.35 -0.60 2.45 0.02 -1.21 -2.92 113.55 112.11 3i63 h SER 330 Ca 0.08 -0.49 -0.04 0.00 -0.84 0.00 0.00 61.79 60.50 3i63 h SER 330 Cb 0.55 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 3i63 h SER 330 CO 0.04 1.40 0.21 1.88 -1.14 0.00 0.00 176.83 179.22 3i63 h TYR 331 N 0.06 0.93 -0.55 3.45 0.05 -1.08 -1.62 116.97 118.21 3i63 h TYR 331 Ca -0.23 -0.08 0.06 0.00 0.05 0.00 0.00 58.73 58.52 3i63 h TYR 331 Cb 2.00 -0.27 -0.05 0.00 1.01 0.00 0.00 36.73 39.42 3i63 h TYR 331 CO 0.06 0.76 0.27 1.25 -1.05 0.00 0.00 178.16 179.45 3i63 h HIS 332 N 0.84 0.49 -0.76 4.88 -0.00 -0.89 -0.37 115.15 119.33 3i63 h HIS 332 Ca 0.20 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.61 3i63 h HIS 332 Cb 0.24 -0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 27.48 3i63 h HIS 332 CO 0.01 0.22 0.49 1.98 -0.00 0.00 0.00 177.93 180.64 3i63 h MET 333 N 0.51 0.96 -0.16 5.26 1.85 -1.29 0.24 114.93 122.29 3i63 h MET 333 Ca 0.25 -0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 59.27 3i63 h MET 333 Cb 0.19 -0.22 -0.01 0.00 0.43 0.00 0.00 31.60 31.99 3i63 h MET 333 CO -0.19 0.64 0.06 0.78 -0.40 0.00 0.00 176.91 177.80 3i63 h GLY 334 N 0.99 0.26 1.18 1.39 0.00 -1.04 0.84 103.07 106.69 3i63 h GLY 334 Ca 0.29 -0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.40 3i63 h GLY 334 CO -0.08 0.13 0.08 -2.08 0.00 0.00 0.00 176.54 174.60 3i63 h VAL 335 N 0.10 1.26 -0.10 4.60 2.07 -0.81 -0.96 116.25 122.41 3i63 h VAL 335 Ca 0.05 -1.01 -0.24 0.00 0.82 0.00 0.00 66.70 66.33 3i63 h VAL 335 Cb 0.18 0.69 0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3i63 h VAL 335 CO -0.00 0.37 -0.86 -0.25 0.02 0.00 0.00 177.57 176.85 3i63 h TRP 336 N 0.94 1.04 -0.39 1.57 7.01 -0.72 -0.85 115.95 124.56 3i63 h TRP 336 Ca 0.19 -0.49 -0.14 0.00 2.11 0.00 0.00 58.89 60.56 3i63 h TRP 336 Cb 0.43 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 3i63 h TRP 336 CO 0.03 1.33 -0.31 -0.92 -2.79 0.00 0.00 178.44 175.77 3i63 h TYR 337 N 0.49 1.02 -0.63 2.65 3.20 -0.76 -2.77 116.97 120.17 3i63 h TYR 337 Ca -0.08 -0.27 -0.31 0.00 3.14 0.00 0.00 58.73 61.21 3i63 h TYR 337 Cb 1.49 -0.23 -0.18 0.00 1.54 0.00 0.00 36.73 39.35 3i63 h TYR 337 CO 0.09 1.06 0.39 0.91 -1.64 0.00 0.00 178.16 178.97 3i63 n TRP 338 N -4.08 1.95 -0.12 -3.82 8.01 -0.37 -4.32 117.44 114.69 3i63 n TRP 338 Ca -0.01 -1.30 0.23 0.00 -1.31 0.00 0.00 57.50 55.11 3i63 n TRP 338 Cb 0.50 -0.68 0.66 0.00 -2.01 0.00 0.00 31.31 29.78 3i63 n TRP 338 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.69 176.75 3i63 h ARG 339 N 0.83 0.09 0.00 -0.99 0.11 -0.84 -1.31 114.38 112.27 3i63 h ARG 339 Ca 0.38 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.45 3i63 h ARG 339 Cb 2.16 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 33.21 3i63 h ARG 339 CO 0.69 0.06 0.00 0.00 0.10 0.00 0.00 179.97 180.82 3i63 h THR 340 N 0.10 0.00 -0.01 0.08 1.03 -1.82 -0.69 112.91 111.60 3i63 h THR 340 Ca 0.36 -0.10 0.00 0.00 -0.01 0.00 0.00 66.41 66.66 3i63 h THR 340 Cb 1.30 0.75 0.00 0.00 -1.07 0.00 0.00 68.15 69.13 3i63 h THR 340 CO -0.04 0.00 -0.19 0.35 -0.01 0.00 0.00 175.52 175.63 3i63 n THR 341 N -2.41 0.00 -3.86 0.00 -2.24 -0.49 -3.69 114.28 101.59 3i63 n THR 341 Ca -0.01 -0.18 -0.22 0.00 -2.27 0.00 0.00 64.05 61.38 3i63 n THR 341 Cb 0.11 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 68.81 3i63 n THR 341 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i63 s ALA 342 N -2.35 3.89 -2.43 6.98 0.00 -0.28 -4.64 121.76 122.92 3i63 s ALA 342 Ca 0.28 -1.15 0.23 0.00 0.00 0.00 0.00 51.96 51.31 3i63 s ALA 342 Cb 0.20 -1.81 0.47 0.00 0.00 0.00 0.00 23.12 21.98 3i63 s ALA 342 CO 0.47 0.21 1.43 -2.67 0.00 0.00 0.00 175.76 175.19 3i63 n TRP 343 N -1.42 0.50 -4.69 0.00 2.14 -1.26 -0.36 117.44 112.35 3i63 n TRP 343 Ca -0.08 -0.25 -0.30 0.00 2.07 0.00 0.00 57.50 58.93 3i63 n TRP 343 Cb 0.57 0.00 -0.09 0.00 -0.81 0.00 0.00 31.31 30.97 3i63 n TRP 343 CO 0.00 0.00 0.00 1.67 2.07 0.00 0.00 177.69 181.43 3i63 s TRP 344 N -1.50 2.17 -0.50 -2.67 -2.14 -1.26 -4.74 118.94 108.30 3i63 s TRP 344 Ca 0.39 -0.83 -0.05 0.00 2.66 0.00 0.00 56.10 58.27 3i63 s TRP 344 Cb 0.22 -1.68 0.13 0.00 -3.10 0.00 0.00 33.47 29.05 3i63 s TRP 344 CO 0.31 0.32 0.33 -0.80 -2.66 0.00 0.00 176.95 174.45 3i63 s ASN 345 N -3.79 5.45 0.27 -2.66 0.01 -1.26 -4.16 114.94 108.80 3i63 s ASN 345 Ca 0.20 -2.24 -0.30 0.00 -0.71 0.00 0.00 52.86 49.81 3i63 s ASN 345 Cb 0.06 -1.91 -0.11 0.00 0.41 0.00 0.00 41.25 39.70 3i63 s ASN 345 CO 0.10 -0.54 1.49 -2.84 -1.51 0.00 0.00 177.10 173.80 3i63 s PRO 346 N 0.85 4.21 0.05 -0.60 0.02 -1.15 -3.87 135.00 134.51 3i63 s PRO 346 Ca 0.10 2.41 -0.26 0.00 0.02 0.00 0.00 61.00 63.27 3i63 s PRO 346 Cb -0.23 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.17 3i63 s PRO 346 CO -0.03 -0.49 0.81 0.00 -0.33 0.00 0.00 177.00 176.95 3i63 s ALA 347 N -0.08 3.33 0.17 -1.55 0.00 -1.26 -1.56 121.76 120.81 3i63 s ALA 347 Ca 0.60 0.34 -0.13 0.00 0.00 0.00 0.00 51.96 52.77 3i63 s ALA 347 Cb -0.44 -3.06 0.07 0.00 0.00 0.00 0.00 23.12 19.69 3i63 s ALA 347 CO 0.46 0.02 1.77 0.00 0.00 0.00 0.00 175.76 178.01 3i63 h ALA 348 N 5.79 0.73 -2.36 0.00 0.00 -1.94 -3.42 119.26 118.07 3i63 h ALA 348 Ca -0.43 -0.11 -0.30 0.00 0.00 0.00 0.00 54.91 54.07 3i63 h ALA 348 Cb 1.21 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3i63 h ALA 348 CO 0.72 0.27 -0.39 0.41 0.00 0.00 0.00 179.25 180.25 3i63 n GLY 349 N -1.00 -0.23 1.07 0.00 0.00 -1.26 -4.94 105.19 98.82 3i63 n GLY 349 Ca 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 3i63 n GLY 349 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i63 n VAL 350 N -4.04 2.01 -1.15 1.61 0.24 -1.26 -4.65 118.33 111.09 3i63 n VAL 350 Ca -0.16 -3.20 -0.34 0.00 -2.04 0.00 0.00 64.34 58.60 3i63 n VAL 350 Cb 0.63 -0.24 0.11 0.00 -1.47 0.00 0.00 33.84 32.87 3i63 n VAL 350 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3i63 n THR 351 N -0.84 1.94 -0.35 3.34 -2.24 -1.26 -4.67 114.28 110.19 3i63 n THR 351 Ca 0.22 -0.27 0.13 0.00 -2.27 0.00 0.00 64.05 61.86 3i63 n THR 351 Cb 0.80 -1.05 0.33 0.00 -2.10 0.00 0.00 70.33 68.31 3i63 n THR 351 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3i63 h PRO 352 N -0.76 0.74 -0.23 -0.78 0.11 -1.93 0.82 132.00 129.97 3i63 h PRO 352 Ca -0.46 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 3i63 h PRO 352 Cb 1.31 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3i63 h PRO 352 CO 0.44 0.49 -0.19 1.49 -0.21 0.00 0.00 178.00 180.02 3i63 h GLU 353 N 0.77 0.41 -0.10 1.05 4.81 -1.93 0.26 114.58 119.84 3i63 h GLU 353 Ca 0.57 -0.13 -0.22 0.00 -0.13 0.00 0.00 59.36 59.45 3i63 h GLU 353 Cb 0.89 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.24 3i63 h GLU 353 CO -0.36 0.59 -0.82 0.93 -0.73 0.00 0.00 179.01 178.62 3i63 h GLU 354 N 0.38 0.65 -0.52 1.92 5.08 -1.23 -2.69 114.58 118.16 3i63 h GLU 354 Ca 0.06 -0.56 -0.10 0.00 -1.00 0.00 0.00 59.36 57.76 3i63 h GLU 354 Cb 0.55 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3i63 h GLU 354 CO 0.04 1.18 -0.08 0.00 -1.00 0.00 0.00 179.01 179.15 3i63 h ARG 355 N 0.43 0.94 -0.14 2.33 3.08 -0.63 0.72 114.38 121.11 3i63 h ARG 355 Ca -0.06 -0.32 0.04 0.00 0.07 0.00 0.00 59.98 59.71 3i63 h ARG 355 Cb 1.44 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.38 3i63 h ARG 355 CO 0.16 0.98 -0.10 -0.44 -1.07 0.00 0.00 179.97 179.50 3i63 h ASP 356 N 0.85 -0.31 -0.24 7.04 3.32 -0.93 0.45 116.42 126.59 3i63 h ASP 356 Ca 0.14 0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.32 3i63 h ASP 356 Cb 0.61 0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.26 3i63 h ASP 356 CO 0.04 -0.13 -0.17 -0.25 -1.72 0.00 0.00 179.24 177.01 3i63 h TRP 357 N -0.10 -0.43 -0.63 4.55 7.01 -0.95 -0.29 115.95 125.10 3i63 h TRP 357 Ca 0.09 0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.19 3i63 h TRP 357 Cb 0.23 0.23 -0.06 0.00 -2.10 0.00 0.00 29.16 27.45 3i63 h TRP 357 CO -0.23 -0.24 0.31 -0.07 -2.79 0.00 0.00 178.44 175.42 3i63 h LEU 358 N -0.16 0.41 -1.09 0.65 3.38 0.65 0.11 115.31 119.27 3i63 h LEU 358 Ca 0.13 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3i63 h LEU 358 Cb 0.36 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3i63 h LEU 358 CO -0.33 0.25 0.33 -0.08 0.09 0.00 0.00 178.44 178.70 3i63 h GLU 359 N 0.56 0.98 -0.39 1.13 4.57 -0.57 0.42 114.58 121.28 3i63 h GLU 359 Ca 0.30 -0.13 -0.05 0.00 -1.18 0.00 0.00 59.36 58.30 3i63 h GLU 359 Cb 0.28 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3i63 h GLU 359 CO -0.23 0.75 0.06 1.49 -1.18 0.00 0.00 179.01 179.90 3i63 h GLU 360 N 0.97 0.65 0.00 1.92 4.81 -0.06 -2.92 114.58 119.96 3i63 h GLU 360 Ca 0.24 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3i63 h GLU 360 Cb 0.10 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3i63 h GLU 360 CO -0.03 0.71 -0.07 0.87 -0.73 0.00 0.00 179.01 179.75 3i63 h LYS 361 N 0.49 0.00 -2.00 1.92 1.79 -0.09 -3.39 116.57 115.29 3i63 h LYS 361 Ca 0.12 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 58.10 3i63 h LYS 361 Cb 0.38 0.00 -0.33 0.00 -1.58 0.00 0.00 32.23 30.70 3i63 h LYS 361 CO 0.01 0.07 -0.88 0.66 -1.08 0.00 0.00 179.45 178.24 3i63 n TYR 362 N -3.13 -1.57 -1.71 -1.35 4.01 0.14 -5.04 117.16 108.52 3i63 n TYR 362 Ca 0.03 -2.88 -0.43 0.00 -0.16 0.00 0.00 57.90 54.46 3i63 n TYR 362 Cb 0.51 0.51 -0.03 0.00 -0.31 0.00 0.00 39.34 40.03 3i63 n TYR 362 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3i63 n PRO 363 N 2.75 2.48 0.00 -0.72 -0.02 -1.11 -1.44 135.00 136.94 3i63 n PRO 363 Ca 0.26 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.64 3i63 n PRO 363 Cb 0.50 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3i63 n PRO 363 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i63 n GLY 364 N 3.00 0.44 0.21 -1.23 0.00 -1.26 -4.99 105.19 101.37 3i63 n GLY 364 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 3i63 n GLY 364 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3i63 h TRP 365 N 0.00 0.56 -0.05 1.61 7.01 -1.56 -2.41 115.95 121.11 3i63 h TRP 365 Ca 0.00 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.97 3i63 h TRP 365 Cb 0.00 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 26.88 3i63 h TRP 365 CO 0.00 0.31 -0.19 -0.91 -2.79 0.00 0.00 178.44 174.85 3i63 h ASN 366 N 0.59 0.08 0.31 2.65 2.35 -1.91 -1.26 115.58 118.38 3i63 h ASN 366 Ca 0.22 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3i63 h ASN 366 Cb 0.06 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3i63 h ASN 366 CO -0.12 0.28 -0.06 0.29 -1.65 0.00 0.00 177.43 176.17 3i63 n LYS 367 N -4.27 0.77 0.00 0.81 5.02 -0.93 -2.56 118.16 117.00 3i63 n LYS 367 Ca -0.02 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 3i63 n LYS 367 Cb 0.28 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3i63 n LYS 367 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i63 n ARG 368 N -0.95 0.00 0.17 1.97 1.74 -0.68 -1.30 116.66 117.61 3i63 n ARG 368 Ca 0.17 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.30 3i63 n ARG 368 Cb 0.24 0.00 0.50 0.00 -1.02 0.00 0.00 32.46 32.19 3i63 n ARG 368 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3i63 h TRP 369 N 0.00 0.14 -0.46 -1.55 6.55 -1.62 -2.07 115.95 116.95 3i63 h TRP 369 Ca 0.00 -0.01 0.03 0.00 0.95 0.00 0.00 58.89 59.86 3i63 h TRP 369 Cb 0.00 -0.04 -0.02 0.00 -0.86 0.00 0.00 29.16 28.23 3i63 h TRP 369 CO 0.00 0.20 0.31 0.78 -1.05 0.00 0.00 178.44 178.67 3i63 h GLY 370 N 0.43 0.58 0.69 1.49 0.00 -1.29 -1.40 103.07 103.57 3i63 h GLY 370 Ca 0.03 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.22 3i63 h GLY 370 CO 0.01 0.18 0.45 3.21 0.00 0.00 0.00 176.54 180.39 3i63 h ARG 371 N 0.52 0.80 -0.15 4.80 2.47 -1.09 0.11 114.38 121.84 3i63 h ARG 371 Ca 0.18 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.82 3i63 h ARG 371 Cb 0.09 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.22 3i63 h ARG 371 CO -0.04 0.53 -0.06 0.00 0.56 0.00 0.00 179.97 180.96 3i63 h TRP 373 N -0.01 0.45 -0.82 0.00 4.06 -1.22 -1.28 115.95 117.13 3i63 h TRP 373 Ca 0.04 -0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.05 3i63 h TRP 373 Cb 0.51 -0.14 -0.07 0.00 -1.00 0.00 0.00 29.16 28.46 3i63 h TRP 373 CO 0.06 0.36 0.48 -0.44 -3.56 0.00 0.00 178.44 175.34 3i63 h ASP 374 N 0.45 0.71 -0.16 -3.49 3.32 -0.80 0.28 116.42 116.74 3i63 h ASP 374 Ca 0.11 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 3i63 h ASP 374 Cb 0.10 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3i63 h ASP 374 CO -0.01 0.43 -0.03 0.58 -1.72 0.00 0.00 179.24 178.49 3i63 h VAL 375 N 0.84 1.28 -0.03 -1.35 2.07 -1.31 -2.39 116.25 115.36 3i63 h VAL 375 Ca 0.38 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.93 3i63 h VAL 375 Cb 0.28 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3i63 h VAL 375 CO -0.22 0.29 -0.01 0.40 0.02 0.00 0.00 177.57 178.06 3i63 h ILE 376 N 0.02 0.97 -0.43 4.57 2.04 -1.11 -1.78 117.51 121.79 3i63 h ILE 376 Ca 0.04 -0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.91 3i63 h ILE 376 Cb 0.46 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 3i63 h ILE 376 CO 0.01 0.00 0.28 0.74 0.00 0.00 0.00 178.15 179.19 3i63 h THR 377 N 0.00 1.10 -0.59 -0.27 2.02 -0.48 -0.88 112.91 113.82 3i63 h THR 377 Ca 0.01 -0.20 0.06 0.00 0.77 0.00 0.00 66.41 67.06 3i63 h THR 377 Cb 0.02 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 66.85 3i63 h THR 377 CO -0.03 0.10 0.29 -0.33 0.37 0.00 0.00 175.52 175.93 3i63 h GLU 378 N 0.57 0.53 -0.60 6.66 4.39 -1.31 -0.72 114.58 124.10 3i63 h GLU 378 Ca 0.16 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.87 3i63 h GLU 378 Cb -0.05 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.43 3i63 h GLU 378 CO -0.04 0.35 0.34 -0.91 -1.16 0.00 0.00 179.01 177.59 3i63 h ASN 379 N 0.55 0.53 -0.60 1.42 -0.26 -0.93 -0.50 115.58 115.79 3i63 h ASN 379 Ca 0.27 0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.99 3i63 h ASN 379 Cb 0.21 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.36 3i63 h ASN 379 CO -0.20 0.36 0.23 0.58 -1.06 0.00 0.00 177.43 177.33 3i63 h VAL 380 N 0.66 1.23 -0.85 2.81 2.07 -0.35 0.71 116.25 122.53 3i63 h VAL 380 Ca 0.26 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3i63 h VAL 380 Cb 0.11 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3i63 h VAL 380 CO -0.14 0.29 0.43 -0.07 0.02 0.00 0.00 177.57 178.09 3i63 h LEU 381 N 0.83 1.10 -2.34 2.57 3.38 -0.70 -1.58 115.31 118.58 3i63 h LEU 381 Ca 0.20 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3i63 h LEU 381 Cb 0.22 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3i63 h LEU 381 CO -0.01 0.91 0.00 0.59 0.09 0.00 0.00 178.44 180.02 3i63 n ASN 382 N -4.33 3.51 -3.97 -0.43 3.02 -0.24 -4.90 115.26 107.93 3i63 n ASN 382 Ca 0.08 -2.47 -0.42 0.00 -0.03 0.00 0.00 54.58 51.75 3i63 n ASN 382 Cb 0.13 -0.57 0.02 0.00 -0.61 0.00 0.00 39.78 38.75 3i63 n ASN 382 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3i63 n ASP 383 N 0.39 -4.49 -3.93 6.41 2.03 -0.60 -4.89 116.55 111.48 3i63 n ASP 383 Ca 0.15 -1.21 -0.31 0.00 0.52 0.00 0.00 54.79 53.94 3i63 n ASP 383 Cb 0.74 -2.05 -0.09 0.00 -0.72 0.00 0.00 41.12 39.00 3i63 n ASP 383 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3i63 n ARG 384 N -4.66 2.29 0.16 -0.67 1.74 0.18 -4.93 116.66 110.77 3i63 n ARG 384 Ca -0.12 -4.51 0.04 0.00 -0.77 0.00 0.00 57.85 52.48 3i63 n ARG 384 Cb 0.58 -2.34 0.12 0.00 -1.02 0.00 0.00 32.46 29.80 3i63 n ARG 384 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 3i63 h MET 385 N 5.46 0.00 -0.09 5.56 2.86 -1.90 -2.88 114.93 123.93 3i63 h MET 385 Ca 0.16 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 3i63 h MET 385 Cb 0.76 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 3i63 h MET 385 CO 0.80 0.44 -0.09 0.38 1.06 0.00 0.00 176.91 179.51 3i63 h ASP 386 N 0.00 0.13 0.00 1.22 3.04 -1.92 -1.03 116.42 117.86 3i63 h ASP 386 Ca -0.00 -0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.77 3i63 h ASP 386 Cb 1.23 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.49 3i63 h ASP 386 CO 0.06 0.24 0.00 0.18 -2.04 0.00 0.00 179.24 177.67 3i63 n LEU 387 N -4.36 0.00 -0.47 0.15 4.77 -1.09 -3.24 117.00 112.76 3i63 n LEU 387 Ca -0.01 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.02 3i63 n LEU 387 Cb 0.21 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.36 3i63 n LEU 387 CO 0.36 0.00 0.46 0.52 -1.33 0.00 0.00 177.39 177.41 3i63 n VAL 388 N -0.97 0.21 -4.51 4.08 0.31 -0.39 -4.93 118.33 112.13 3i63 n VAL 388 Ca 0.15 -0.60 -0.21 0.00 -0.01 0.00 0.00 64.34 63.67 3i63 n VAL 388 Cb 0.07 1.07 -0.15 0.00 -0.91 0.00 0.00 33.84 33.93 3i63 n VAL 388 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3i63 s SER 389 N -0.92 1.52 0.42 4.52 0.01 -1.20 -4.92 113.70 113.14 3i63 s SER 389 Ca 0.15 -0.29 -0.16 0.00 1.31 0.00 0.00 55.95 56.96 3i63 s SER 389 Cb 0.10 -0.15 -0.09 0.00 0.21 0.00 0.00 66.02 66.09 3i63 s SER 389 CO 0.14 0.12 0.87 -2.16 0.41 0.00 0.00 173.24 172.62 3i63 s PRO 390 N -0.51 4.00 0.00 12.44 0.04 -1.26 -4.94 135.00 144.77 3i63 s PRO 390 Ca 0.04 0.83 0.04 0.00 0.04 0.00 0.00 61.00 61.95 3i63 s PRO 390 Cb -0.06 -2.27 0.08 0.00 0.04 0.00 0.00 34.50 32.29 3i63 s PRO 390 CO -0.00 -0.06 0.87 0.39 0.04 0.00 0.00 177.00 178.25 3i63 n GLU 391 N -0.99 1.30 -4.05 4.56 1.02 -1.26 -5.05 120.64 116.17 3i63 n GLU 391 Ca 0.05 -1.25 -0.21 0.00 -0.02 0.00 0.00 57.16 55.74 3i63 n GLU 391 Cb 0.54 -1.10 -0.06 0.00 -0.02 0.00 0.00 31.44 30.80 3i63 n GLU 391 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 3i63 n THR 392 N 0.07 0.00 -3.63 2.62 5.66 -1.26 -4.87 114.28 112.88 3i63 n THR 392 Ca 0.04 -2.07 -0.38 0.00 -3.05 0.00 0.00 64.05 58.59 3i63 n THR 392 Cb 0.22 0.80 -0.06 0.00 -1.55 0.00 0.00 70.33 69.74 3i63 n THR 392 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3i63 s LEU 393 N 0.00 4.45 0.52 1.09 1.43 -1.26 -5.04 118.68 119.87 3i63 s LEU 393 Ca 0.21 0.80 -0.20 0.00 -1.03 0.00 0.00 54.13 53.92 3i63 s LEU 393 Cb 0.01 -2.43 -0.07 0.00 0.03 0.00 0.00 46.19 43.74 3i63 s LEU 393 CO 0.15 0.35 1.10 -2.16 0.23 0.00 0.00 176.35 176.02 3i63 s PRO 394 N -1.08 3.49 -0.05 1.29 0.04 -1.26 -4.98 135.00 132.45 3i63 s PRO 394 Ca 0.21 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 3i63 s PRO 394 Cb -0.15 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 3i63 s PRO 394 CO 0.10 -0.72 1.52 -1.12 0.04 0.00 0.00 177.00 176.82 3i63 s SER 395 N -1.82 6.76 -0.13 6.66 0.01 -1.26 -4.94 113.70 118.97 3i63 s SER 395 Ca 0.71 2.12 -0.09 0.00 1.31 0.00 0.00 55.95 60.00 3i63 s SER 395 Cb -0.22 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.42 3i63 s SER 395 CO 0.25 -0.84 0.18 -0.69 0.41 0.00 0.00 173.24 172.55 3i63 s VAL 396 N 3.45 5.41 0.35 3.43 1.01 -1.26 -1.37 120.40 131.41 3i63 s VAL 396 Ca 0.68 0.31 -0.25 0.00 0.00 0.00 0.00 61.98 62.71 3i63 s VAL 396 Cb -0.31 -3.48 -0.13 0.00 0.00 0.00 0.00 36.38 32.46 3i63 s VAL 396 CO 0.26 0.54 0.74 0.00 0.00 0.00 0.00 175.10 176.64 3i63 n ASN 398 N 1.28 2.43 -0.00 0.00 3.02 0.72 -3.06 115.26 119.65 3i63 n ASN 398 Ca 0.12 -1.97 -0.00 0.00 -0.03 0.00 0.00 54.58 52.69 3i63 n ASN 398 Cb 0.35 -0.29 -0.00 0.00 -0.61 0.00 0.00 39.78 39.23 3i63 n ASN 398 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 3i63 n MET 399 N 0.83 0.01 0.00 3.52 1.56 -1.26 -4.77 117.12 117.00 3i63 n MET 399 Ca 0.16 0.01 0.13 0.00 -0.27 0.00 0.00 57.70 57.72 3i63 n MET 399 Cb 0.39 -0.23 0.49 0.00 2.15 0.00 0.00 33.22 36.02 3i63 n MET 399 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 3i63 n SER 400 N -2.59 0.38 -1.78 6.12 3.41 -1.26 -4.91 113.62 112.98 3i63 n SER 400 Ca -0.00 -0.18 -0.14 0.00 -0.26 0.00 0.00 58.87 58.28 3i63 n SER 400 Cb 0.01 -0.08 0.01 0.00 -0.26 0.00 0.00 64.21 63.89 3i63 n SER 400 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i63 n GLN 401 N -1.26 -1.96 -4.40 4.33 1.13 -1.17 -4.59 117.38 109.45 3i63 n GLN 401 Ca 0.09 0.65 -0.24 0.00 -1.94 0.00 0.00 57.00 55.56 3i63 n GLN 401 Cb 0.32 -4.90 -0.11 0.00 0.11 0.00 0.00 30.24 25.66 3i63 n GLN 401 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3i63 s ILE 402 N -2.80 2.19 0.68 5.09 1.01 -1.26 -4.60 121.20 121.52 3i63 s ILE 402 Ca 0.08 -2.09 -0.16 0.00 0.00 0.00 0.00 60.65 58.48 3i63 s ILE 402 Cb -0.03 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.37 3i63 s ILE 402 CO 0.10 -0.26 1.22 -2.84 0.00 0.00 0.00 174.94 173.16 3i63 s PRO 403 N -2.94 2.41 -0.27 2.79 0.02 -1.26 -0.52 135.00 135.23 3i63 s PRO 403 Ca 0.21 1.81 -0.27 0.00 0.02 0.00 0.00 61.00 62.78 3i63 s PRO 403 Cb -0.06 -1.86 0.01 0.00 0.02 0.00 0.00 34.50 32.61 3i63 s PRO 403 CO 0.10 -1.64 0.95 -0.51 -0.33 0.00 0.00 177.00 175.56 3i63 s LEU 404 N -4.78 4.05 0.38 -5.54 1.43 -0.47 -4.77 118.68 108.97 3i63 s LEU 404 Ca 0.76 1.06 0.03 0.00 -1.03 0.00 0.00 54.13 54.95 3i63 s LEU 404 Cb -0.31 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 3i63 s LEU 404 CO 0.42 -0.68 0.10 0.68 0.23 0.00 0.00 176.35 177.09 3i63 s VAL 405 N 3.19 0.80 0.10 -1.59 -7.23 -1.26 -4.89 120.40 109.52 3i63 s VAL 405 Ca 0.40 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.54 3i63 s VAL 405 Cb -0.14 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.31 3i63 s VAL 405 CO 0.10 0.00 0.19 0.61 -0.31 0.00 0.00 175.10 175.69 3i63 n GLY 406 N -0.82 1.84 3.64 2.32 0.00 -1.26 -4.54 105.19 106.37 3i63 n GLY 406 Ca -0.05 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 3i63 n GLY 406 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i63 s VAL 407 N -2.76 4.69 0.56 1.61 1.01 0.23 -4.85 120.40 120.90 3i63 s VAL 407 Ca 0.04 1.63 -0.05 0.00 0.00 0.00 0.00 61.98 63.60 3i63 s VAL 407 Cb -0.01 -4.26 0.12 0.00 0.00 0.00 0.00 36.38 32.23 3i63 s VAL 407 CO 0.03 -0.26 0.76 -0.81 0.00 0.00 0.00 175.10 174.82 3i63 n PRO 408 N 6.38 -0.30 0.00 2.72 -0.04 -1.26 -1.21 135.00 141.30 3i63 n PRO 408 Ca 0.08 -1.63 0.00 0.00 -0.04 0.00 0.00 63.50 61.91 3i63 n PRO 408 Cb 0.47 -0.64 0.00 0.00 -0.04 0.00 0.00 33.50 33.29 3i63 n PRO 408 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i63 n GLY 409 N -0.42 0.14 0.26 0.55 0.00 -1.25 -4.27 105.19 100.21 3i63 n GLY 409 Ca 0.11 -0.98 0.18 0.00 0.00 0.00 0.00 46.02 45.33 3i63 n GLY 409 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i63 h ASP 410 N 8.62 0.00 -1.74 1.61 5.19 -1.47 -1.93 116.42 126.70 3i63 h ASP 410 Ca 0.00 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 55.94 3i63 h ASP 410 Cb 0.00 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.11 3i63 h ASP 410 CO 0.00 0.00 -1.09 -0.90 -3.12 0.00 0.00 179.24 174.13 3i63 n ASP 411 N -2.86 1.79 -4.13 6.45 5.75 -1.26 -5.09 116.55 117.20 3i63 n ASP 411 Ca -0.01 -3.08 -0.59 0.00 -0.01 0.00 0.00 54.79 51.11 3i63 n ASP 411 Cb 0.18 -0.58 -0.09 0.00 -1.03 0.00 0.00 41.12 39.61 3i63 n ASP 411 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3i63 n TRP 412 N 0.06 1.47 -3.67 2.11 -0.00 -0.73 -4.86 117.44 111.82 3i63 n TRP 412 Ca 0.23 1.00 -0.21 0.00 -0.00 0.00 0.00 57.50 58.51 3i63 n TRP 412 Cb 0.66 -1.94 -0.18 0.00 -0.00 0.00 0.00 31.31 29.86 3i63 n TRP 412 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 3i63 s ASN 413 N 2.44 1.42 -0.02 5.87 2.47 -0.35 -5.00 114.94 121.78 3i63 s ASN 413 Ca 0.91 -0.07 0.01 0.00 0.42 0.00 0.00 52.86 54.13 3i63 s ASN 413 Cb -1.30 -0.18 0.01 0.00 -1.45 0.00 0.00 41.25 38.33 3i63 s ASN 413 CO 0.70 -0.27 -0.04 -0.51 -3.72 0.00 0.00 177.10 173.27 3i63 s ILE 414 N 2.15 0.37 -0.04 -5.21 2.07 -1.26 -0.60 121.20 118.67 3i63 s ILE 414 Ca 0.04 -0.13 0.02 0.00 -1.41 0.00 0.00 60.65 59.17 3i63 s ILE 414 Cb -0.13 -0.36 0.01 0.00 0.13 0.00 0.00 42.46 42.11 3i63 s ILE 414 CO -0.04 0.14 -0.07 -0.70 -1.91 0.00 0.00 174.94 172.36 3i63 s GLU 415 N 0.35 0.98 -0.19 3.50 2.12 -1.26 -5.05 118.70 119.15 3i63 s GLU 415 Ca -0.04 -0.21 -0.13 0.00 0.36 0.00 0.00 54.97 54.96 3i63 s GLU 415 Cb -0.07 -0.92 -0.05 0.00 0.26 0.00 0.00 34.13 33.35 3i63 s GLU 415 CO -0.00 -0.00 0.25 0.08 -0.54 0.00 0.00 175.26 175.04 3i63 s VAL 416 N 0.64 5.32 -0.43 3.70 1.01 -1.26 -4.72 120.40 124.65 3i63 s VAL 416 Ca -0.10 0.43 -0.14 0.00 0.00 0.00 0.00 61.98 62.17 3i63 s VAL 416 Cb -0.13 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.71 3i63 s VAL 416 CO 0.01 0.37 0.32 -0.36 0.00 0.00 0.00 175.10 175.44 3i63 s PHE 417 N 0.70 3.25 0.31 5.22 0.08 0.05 -4.93 117.98 122.65 3i63 s PHE 417 Ca 0.13 -0.85 0.07 0.00 0.12 0.00 0.00 56.93 56.40 3i63 s PHE 417 Cb -0.13 -2.82 -0.03 0.00 -0.57 0.00 0.00 43.02 39.48 3i63 s PHE 417 CO 0.03 -0.70 0.32 -1.12 -0.10 0.00 0.00 175.22 173.65 3i63 s SER 418 N 2.04 5.61 -0.19 1.36 0.01 -1.26 -0.28 113.70 121.00 3i63 s SER 418 Ca 0.04 -0.31 -0.09 0.00 1.31 0.00 0.00 55.95 56.90 3i63 s SER 418 Cb -0.21 -1.23 0.07 0.00 0.21 0.00 0.00 66.02 64.86 3i63 s SER 418 CO 0.08 -0.27 0.43 -0.22 0.41 0.00 0.00 173.24 173.67 3i63 s LEU 419 N -4.00 -0.30 -0.09 2.44 2.96 -0.53 -4.96 118.68 114.19 3i63 s LEU 419 Ca 0.39 0.97 -0.18 0.00 -0.22 0.00 0.00 54.13 55.09 3i63 s LEU 419 Cb -0.07 1.43 -0.05 0.00 0.50 0.00 0.00 46.19 48.00 3i63 s LEU 419 CO 0.27 -0.21 0.46 -1.61 -1.32 0.00 0.00 176.35 173.95 3i63 s GLU 420 N 1.73 4.27 -0.14 1.98 2.02 -1.26 -1.04 118.70 126.27 3i63 s GLU 420 Ca -0.08 0.44 -0.06 0.00 0.02 0.00 0.00 54.97 55.30 3i63 s GLU 420 Cb -0.09 -3.39 0.06 0.00 0.10 0.00 0.00 34.13 30.81 3i63 s GLU 420 CO -0.13 0.27 0.29 -1.58 0.02 0.00 0.00 175.26 174.13 3i63 s HIS 421 N 0.26 -0.47 -1.37 1.61 2.46 0.40 -4.93 115.29 113.25 3i63 s HIS 421 Ca 0.25 1.04 -0.08 0.00 0.47 0.00 0.00 55.06 56.74 3i63 s HIS 421 Cb -0.15 0.05 0.03 0.00 -0.13 0.00 0.00 32.58 32.37 3i63 s HIS 421 CO 0.11 -0.35 1.06 0.09 -2.47 0.00 0.00 174.74 173.18 3i63 n ASN 422 N 5.04 -4.80 -0.06 9.88 4.13 -1.26 -1.35 115.26 126.83 3i63 n ASN 422 Ca -0.12 -0.64 -0.01 0.00 1.68 0.00 0.00 54.58 55.50 3i63 n ASN 422 Cb 0.51 -4.68 -0.00 0.00 -1.54 0.00 0.00 39.78 34.07 3i63 n ASN 422 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i63 n GLY 423 N -1.75 0.49 3.14 7.41 0.00 -1.26 -5.01 105.19 108.20 3i63 n GLY 423 Ca -0.06 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 3i63 n GLY 423 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i63 s ARG 424 N -0.98 0.74 -0.32 1.61 3.52 -0.46 -5.14 118.95 117.92 3i63 s ARG 424 Ca 0.00 -1.01 -0.10 0.00 -0.13 0.00 0.00 55.73 54.49 3i63 s ARG 424 Cb 0.00 -0.48 -0.00 0.00 -1.56 0.00 0.00 34.95 32.90 3i63 s ARG 424 CO 0.00 0.08 0.16 -1.17 -0.81 0.00 0.00 175.30 173.56 3i63 s LEU 425 N -2.11 4.19 0.07 -0.88 2.96 -1.26 -0.46 118.68 121.19 3i63 s LEU 425 Ca -0.00 -0.57 0.03 0.00 -0.22 0.00 0.00 54.13 53.37 3i63 s LEU 425 Cb -0.06 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 3i63 s LEU 425 CO 0.00 -0.22 0.05 -0.31 -1.32 0.00 0.00 176.35 174.55 3i63 s TYR 426 N 1.61 3.12 -0.05 5.38 2.02 -0.20 -4.97 117.35 124.26 3i63 s TYR 426 Ca 0.04 0.05 0.04 0.00 -0.37 0.00 0.00 57.07 56.84 3i63 s TYR 426 Cb -0.17 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 39.78 3i63 s TYR 426 CO 0.06 0.50 -0.16 -1.01 -1.57 0.00 0.00 175.55 173.38 3i63 s HIS 427 N -1.32 1.66 0.10 2.71 3.76 -1.26 -1.46 115.29 119.49 3i63 s HIS 427 Ca 0.27 -0.51 0.09 0.00 -0.15 0.00 0.00 55.06 54.75 3i63 s HIS 427 Cb -0.12 -1.13 -0.04 0.00 1.11 0.00 0.00 32.58 32.40 3i63 s HIS 427 CO 0.19 -0.19 -0.22 -0.06 -0.85 0.00 0.00 174.74 173.61 3i63 s PHE 428 N 0.17 1.88 -2.51 1.40 0.08 0.62 -0.20 117.98 119.41 3i63 s PHE 428 Ca -0.06 -0.41 0.28 0.00 0.12 0.00 0.00 56.93 56.86 3i63 s PHE 428 Cb -0.12 -1.04 1.01 0.00 -0.57 0.00 0.00 43.02 42.30 3i63 s PHE 428 CO 0.03 0.22 1.72 0.41 -0.10 0.00 0.00 175.22 177.50 3i63 n GLY 429 N 1.12 0.03 3.51 4.36 0.00 -1.26 -0.77 105.19 112.17 3i63 n GLY 429 Ca -0.19 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 3i63 n GLY 429 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i63 s SER 430 N -2.01 -0.21 0.22 1.61 1.04 -1.26 -4.86 113.70 108.23 3i63 s SER 430 Ca 0.37 -0.56 -0.08 0.00 0.48 0.00 0.00 55.95 56.16 3i63 s SER 430 Cb 0.21 0.56 0.35 0.00 0.10 0.00 0.00 66.02 67.24 3i63 s SER 430 CO 0.34 -1.04 1.70 -0.08 0.98 0.00 0.00 173.24 175.14 3i63 h GLU 431 N 2.24 0.28 -0.23 4.02 4.57 -1.94 -2.77 114.58 120.75 3i63 h GLU 431 Ca -0.29 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 57.84 3i63 h GLU 431 Cb 1.26 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 3i63 h GLU 431 CO 0.38 0.19 0.01 0.28 -1.18 0.00 0.00 179.01 178.69 3i63 h VAL 432 N 0.29 1.25 -0.92 0.32 2.07 -1.99 -1.43 116.25 115.83 3i63 h VAL 432 Ca 0.35 -0.85 0.12 0.00 0.82 0.00 0.00 66.70 67.15 3i63 h VAL 432 Cb 0.54 1.35 -0.08 0.00 -1.52 0.00 0.00 31.29 31.57 3i63 h VAL 432 CO -0.43 0.26 0.55 0.44 0.02 0.00 0.00 177.57 178.42 3i63 h ASP 433 N 0.18 0.77 -0.49 0.57 3.32 -1.93 0.36 116.42 119.20 3i63 h ASP 433 Ca 0.07 0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 3i63 h ASP 433 Cb 0.38 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3i63 h ASP 433 CO 0.01 0.39 -0.04 -0.09 -1.72 0.00 0.00 179.24 177.79 3i63 h ARG 434 N 0.85 0.90 -0.77 3.56 2.43 -1.22 -2.41 114.38 117.73 3i63 h ARG 434 Ca 0.47 -0.31 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3i63 h ARG 434 Cb 0.52 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 3i63 h ARG 434 CO -0.29 0.95 0.37 2.35 -1.51 0.00 0.00 179.97 181.85 3i63 h TRP 435 N 0.76 1.10 -0.70 2.20 7.01 -0.14 -0.68 115.95 125.50 3i63 h TRP 435 Ca 0.13 -0.05 0.01 0.00 2.11 0.00 0.00 58.89 61.09 3i63 h TRP 435 Cb 0.58 -0.34 -0.04 0.00 -2.10 0.00 0.00 29.16 27.26 3i63 h TRP 435 CO 0.04 0.80 0.46 0.28 -2.79 0.00 0.00 178.44 177.24 3i63 h VAL 436 N 1.08 1.17 -0.75 2.65 2.07 -0.17 -0.35 116.25 121.95 3i63 h VAL 436 Ca 0.26 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3i63 h VAL 436 Cb 0.11 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 3i63 h VAL 436 CO -0.03 0.17 0.47 0.15 0.02 0.00 0.00 177.57 178.35 3i63 h PHE 437 N 0.93 0.97 0.00 1.57 3.57 -0.97 -2.15 116.94 120.86 3i63 h PHE 437 Ca 0.26 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.77 3i63 h PHE 437 Cb -0.09 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.33 3i63 h PHE 437 CO -0.03 0.63 0.00 1.96 -2.23 0.00 0.00 178.31 178.64 3i63 h GLN 438 N 1.02 0.00 0.00 1.11 4.20 -0.11 -2.41 115.11 118.93 3i63 h GLN 438 Ca 0.27 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.94 3i63 h GLN 438 Cb -0.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3i63 h GLN 438 CO -0.05 0.00 -0.20 1.96 -0.67 0.00 0.00 178.83 179.86 3i63 h GLN 439 N 0.00 0.00 -0.22 1.46 1.08 -0.41 -3.39 115.11 113.63 3i63 h GLN 439 Ca 0.00 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.94 3i63 h GLN 439 Cb 0.63 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 27.89 3i63 h GLN 439 CO 0.00 0.20 -0.53 -3.47 -0.95 0.00 0.00 178.83 174.08 3i63 n ASP 440 N -3.77 -2.18 -0.20 1.46 2.03 -0.94 -5.02 116.55 107.94 3i63 n ASP 440 Ca -0.02 -3.51 0.07 0.00 0.52 0.00 0.00 54.79 51.85 3i63 n ASP 440 Cb 0.31 1.63 0.34 0.00 -0.72 0.00 0.00 41.12 42.69 3i63 n ASP 440 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3i63 h PRO 441 N 3.30 0.75 -0.66 -0.67 0.11 -1.69 0.23 132.00 133.37 3i63 h PRO 441 Ca -0.09 -0.05 0.19 0.00 0.11 0.00 0.00 66.00 66.16 3i63 h PRO 441 Cb 1.06 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 3i63 h PRO 441 CO 0.22 0.50 0.49 0.28 -0.21 0.00 0.00 178.00 179.28 3i63 h VAL 442 N 0.78 0.62 -0.03 3.15 2.07 -1.95 0.11 116.25 120.99 3i63 h VAL 442 Ca 0.33 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.79 3i63 h VAL 442 Cb 0.30 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3i63 h VAL 442 CO -0.12 0.00 -0.28 -0.61 0.02 0.00 0.00 177.57 176.58 3i63 h GLN 443 N 0.00 0.06 0.00 1.57 5.75 -1.32 -3.37 115.11 117.79 3i63 h GLN 443 Ca 0.31 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.80 3i63 h GLN 443 Cb 1.29 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.84 3i63 h GLN 443 CO -0.00 0.34 -0.91 0.66 -2.65 0.00 0.00 178.83 176.27 3i63 n TYR 444 N -4.18 0.00 -0.27 3.99 4.02 -0.57 -4.88 117.16 115.27 3i63 n TYR 444 Ca -0.02 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.89 3i63 n TYR 444 Cb 0.34 0.00 0.23 0.00 -0.02 0.00 0.00 39.34 39.89 3i63 n TYR 444 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 3i63 h GLN 445 N 0.00 1.03 -0.70 -0.72 3.07 -1.01 -0.27 115.11 116.51 3i63 h GLN 445 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.68 3i63 h GLN 445 Cb 0.53 -0.23 0.00 0.00 0.08 0.00 0.00 27.48 27.86 3i63 h GLN 445 CO 0.00 0.68 0.00 0.09 0.09 0.00 0.00 178.83 179.69 3i63 n ASN 446 N -4.44 4.24 -4.77 0.06 3.02 -1.26 -4.92 115.26 107.18 3i63 n ASN 446 Ca 0.11 -2.18 -0.40 0.00 -0.03 0.00 0.00 54.58 52.08 3i63 n ASN 446 Cb 0.10 -0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 38.72 3i63 n ASN 446 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3i63 s HIS 447 N -1.37 3.18 -0.17 3.10 2.46 -0.11 -5.04 115.29 117.34 3i63 s HIS 447 Ca 0.50 1.54 0.01 0.00 0.47 0.00 0.00 55.06 57.58 3i63 s HIS 447 Cb 0.28 -3.46 0.02 0.00 -0.13 0.00 0.00 32.58 29.29 3i63 s HIS 447 CO 0.30 -1.32 -0.20 -1.64 -2.47 0.00 0.00 174.74 169.41 3i63 s MET 448 N -1.93 2.95 0.71 2.88 -1.94 -1.26 -5.11 119.30 115.59 3i63 s MET 448 Ca 0.51 -0.82 -0.12 0.00 -1.71 0.00 0.00 55.69 53.56 3i63 s MET 448 Cb -0.34 -2.53 0.17 0.00 2.01 0.00 0.00 34.83 34.14 3i63 s MET 448 CO 0.44 -0.19 0.79 0.27 -0.01 0.00 0.00 175.02 176.31 3i63 n ASN 449 N 4.58 -0.76 0.09 3.03 0.23 -1.26 -4.69 115.26 116.48 3i63 n ASN 449 Ca -0.21 -1.13 -0.05 0.00 -0.53 0.00 0.00 54.58 52.66 3i63 n ASN 449 Cb 0.50 -0.65 0.10 0.00 -2.08 0.00 0.00 39.78 37.65 3i63 n ASN 449 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 3i63 h ILE 450 N -1.87 1.42 -0.26 1.53 2.10 -1.95 -0.96 117.51 117.51 3i63 h ILE 450 Ca -0.27 -2.12 -0.15 0.00 1.08 0.00 0.00 64.86 63.40 3i63 h ILE 450 Cb 0.79 2.11 -0.00 0.00 -1.09 0.00 0.00 36.82 38.62 3i63 h ILE 450 CO 0.19 0.62 -0.41 0.58 -1.08 0.00 0.00 178.15 178.05 3i63 h VAL 451 N 0.14 1.30 -0.30 2.19 2.07 -1.92 0.97 116.25 120.71 3i63 h VAL 451 Ca -0.01 -1.60 0.05 0.00 0.82 0.00 0.00 66.70 65.96 3i63 h VAL 451 Cb 1.18 1.69 -0.08 0.00 -1.52 0.00 0.00 31.29 32.56 3i63 h VAL 451 CO 0.10 0.51 -0.49 0.44 0.02 0.00 0.00 177.57 178.15 3i63 h ASP 452 N 0.48 -1.59 -0.78 0.57 3.32 -1.88 -1.09 116.42 115.44 3i63 h ASP 452 Ca 0.02 0.22 0.15 0.00 0.02 0.00 0.00 57.03 57.44 3i63 h ASP 452 Cb 1.00 0.66 -0.10 0.00 0.22 0.00 0.00 39.33 41.11 3i63 h ASP 452 CO 0.09 -0.41 0.32 0.03 -1.72 0.00 0.00 179.24 177.55 3i63 h ARG 453 N -0.43 0.44 -0.44 3.56 3.08 -0.95 -0.18 114.38 119.46 3i63 h ARG 453 Ca 0.09 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.12 3i63 h ARG 453 Cb 0.62 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3i63 h ARG 453 CO -0.52 0.29 0.28 0.35 -1.07 0.00 0.00 179.97 179.30 3i63 h PHE 454 N 0.45 0.53 0.00 3.04 3.57 -0.21 -2.03 116.94 122.29 3i63 h PHE 454 Ca 0.44 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.93 3i63 h PHE 454 Cb 0.69 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 3i63 h PHE 454 CO -0.16 0.33 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.09 3i63 h LEU 455 N 0.57 0.00 -0.79 0.59 3.38 -0.99 -3.20 115.31 114.87 3i63 h LEU 455 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3i63 h LEU 455 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3i63 h LEU 455 CO -0.05 0.09 -0.01 0.00 0.09 0.00 0.00 178.44 178.57 3i63 n ALA 456 N -2.12 2.61 0.00 1.53 0.00 -0.10 -4.95 120.51 117.48 3i63 n ALA 456 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3i63 n ALA 456 Cb 0.55 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3i63 n ALA 456 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i63 n GLY 457 N 1.15 0.74 0.03 0.00 0.00 -1.07 -4.96 105.19 101.07 3i63 n GLY 457 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 3i63 n GLY 457 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i63 n GLN 458 N -1.82 0.13 -3.64 1.61 6.02 -0.79 -4.57 117.38 114.32 3i63 n GLN 458 Ca 0.00 0.03 -0.39 0.00 -0.01 0.00 0.00 57.00 56.63 3i63 n GLN 458 Cb 0.00 -1.57 -0.10 0.00 1.02 0.00 0.00 30.24 29.58 3i63 n GLN 458 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3i63 s ILE 459 N -3.08 4.05 -0.08 5.09 1.01 -1.25 -5.00 121.20 121.96 3i63 s ILE 459 Ca 0.09 -1.46 0.05 0.00 0.00 0.00 0.00 60.65 59.33 3i63 s ILE 459 Cb 0.16 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.12 3i63 s ILE 459 CO 0.71 -0.49 -0.23 -1.10 0.00 0.00 0.00 174.94 173.83 3i63 s GLN 460 N 1.39 2.76 0.76 2.79 -1.52 -1.26 -2.11 119.66 122.48 3i63 s GLN 460 Ca 0.03 -0.87 -0.11 0.00 -1.95 0.00 0.00 55.36 52.46 3i63 s GLN 460 Cb -0.23 -2.25 0.05 0.00 -0.22 0.00 0.00 33.01 30.36 3i63 s GLN 460 CO 0.01 0.32 1.08 -1.25 -0.25 0.00 0.00 175.29 175.20 3i63 s PRO 461 N -0.00 2.35 -1.45 2.91 0.04 -1.26 -4.85 135.00 132.73 3i63 s PRO 461 Ca -0.08 1.02 -0.10 0.00 0.04 0.00 0.00 61.00 61.88 3i63 s PRO 461 Cb -0.15 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 3i63 s PRO 461 CO 0.05 -1.53 2.67 -0.12 0.04 0.00 0.00 177.00 178.11 3i63 n MET 462 N -3.43 3.22 -4.23 4.56 1.56 -0.90 -3.78 117.12 114.13 3i63 n MET 462 Ca 0.08 -2.14 -0.13 0.00 -0.27 0.00 0.00 57.70 55.25 3i63 n MET 462 Cb 0.54 -2.83 -0.10 0.00 2.15 0.00 0.00 33.22 32.97 3i63 n MET 462 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3i63 s THR 463 N 2.65 0.45 0.39 1.12 -4.23 -1.26 -5.01 115.64 109.75 3i63 s THR 463 Ca 0.61 -1.97 0.10 0.00 -1.18 0.00 0.00 61.69 59.25 3i63 s THR 463 Cb 0.16 -2.23 0.16 0.00 1.34 0.00 0.00 72.50 71.93 3i63 s THR 463 CO -0.05 -0.35 1.92 0.25 -0.54 0.00 0.00 174.62 175.85 3i63 h LEU 464 N 2.68 0.20 -0.45 4.79 5.85 -1.89 0.12 115.31 126.60 3i63 h LEU 464 Ca -0.36 -0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.15 3i63 h LEU 464 Cb 1.21 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 3i63 h LEU 464 CO 0.61 0.36 -0.47 -0.08 -0.34 0.00 0.00 178.44 178.52 3i63 h GLU 465 N 0.20 0.77 -0.38 1.25 4.22 -1.96 -1.70 114.58 116.98 3i63 h GLU 465 Ca 0.04 -0.44 -0.07 0.00 0.08 0.00 0.00 59.36 58.97 3i63 h GLU 465 Cb 0.38 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3i63 h GLU 465 CO 0.02 1.07 -0.05 0.78 -2.18 0.00 0.00 179.01 178.66 3i63 h GLY 466 N 0.87 0.67 1.51 1.92 0.00 -1.37 -1.40 103.07 105.27 3i63 h GLY 466 Ca 0.03 -0.44 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 3i63 h GLY 466 CO 0.10 0.41 -0.34 0.00 0.00 0.00 0.00 176.54 176.71 3i63 h ALA 467 N 1.37 0.93 -0.26 3.60 0.00 -0.84 -0.40 119.26 123.66 3i63 h ALA 467 Ca 0.11 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3i63 h ALA 467 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3i63 h ALA 467 CO 0.02 0.62 0.10 -0.07 0.00 0.00 0.00 179.25 179.92 3i63 h LEU 468 N 0.47 0.36 -0.09 0.00 3.38 -0.62 -1.10 115.31 117.70 3i63 h LEU 468 Ca 0.05 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3i63 h LEU 468 Cb 0.82 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3i63 h LEU 468 CO 0.07 0.43 0.04 0.11 0.09 0.00 0.00 178.44 179.18 3i63 h LYS 469 N 0.26 0.14 -1.00 1.13 1.57 -1.27 -2.79 116.57 114.62 3i63 h LYS 469 Ca 0.09 -0.02 0.34 0.00 -1.87 0.00 0.00 60.65 59.18 3i63 h LYS 469 Cb 0.19 -0.02 -0.15 0.00 0.08 0.00 0.00 32.23 32.32 3i63 h LYS 469 CO -0.01 0.23 0.55 -0.92 -0.57 0.00 0.00 179.45 178.73 3i63 h TYR 470 N 0.01 0.88 0.00 -1.35 3.20 -0.85 0.28 116.97 119.15 3i63 h TYR 470 Ca 0.03 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3i63 h TYR 470 Cb 0.14 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.19 3i63 h TYR 470 CO -0.02 -0.23 0.00 -1.33 -1.64 0.00 0.00 178.16 174.93 3i63 n MET 471 N -5.10 0.67 0.00 1.82 2.81 -0.44 -4.29 117.12 112.60 3i63 n MET 471 Ca 0.32 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 56.23 3i63 n MET 471 Cb 1.03 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 32.04 3i63 n MET 471 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i63 n GLY 472 N 0.90 0.68 3.73 3.03 0.00 0.09 -2.79 105.19 110.82 3i63 n GLY 472 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3i63 n GLY 472 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i63 s PHE 473 N -2.00 3.38 -0.14 1.61 0.08 -1.14 -4.92 117.98 114.85 3i63 s PHE 473 Ca 0.00 1.30 0.03 0.00 0.12 0.00 0.00 56.93 58.38 3i63 s PHE 473 Cb 0.00 -3.49 -0.04 0.00 -0.57 0.00 0.00 43.02 38.93 3i63 s PHE 473 CO 0.00 -1.49 0.13 1.04 -0.10 0.00 0.00 175.22 174.81 3i63 n GLN 474 N 3.09 5.47 -3.73 0.44 6.02 -1.26 -4.54 117.38 122.88 3i63 n GLN 474 Ca 0.07 -0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.96 3i63 n GLN 474 Cb 0.44 -0.69 -0.06 0.00 1.02 0.00 0.00 30.24 30.96 3i63 n GLN 474 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3i63 s SER 475 N -1.39 -0.10 0.43 1.08 1.04 -1.26 -5.00 113.70 108.50 3i63 s SER 475 Ca 0.01 -0.46 0.14 0.00 0.48 0.00 0.00 55.95 56.12 3i63 s SER 475 Cb 0.02 0.43 1.03 0.00 0.10 0.00 0.00 66.02 67.60 3i63 s SER 475 CO 0.13 -0.81 1.96 0.40 0.98 0.00 0.00 173.24 175.90 3i63 h ILE 476 N 2.51 0.86 -0.30 -1.02 1.08 -1.96 -0.66 117.51 118.03 3i63 h ILE 476 Ca -0.34 -0.15 -0.08 0.00 -0.39 0.00 0.00 64.86 63.91 3i63 h ILE 476 Cb 1.23 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 35.37 3i63 h ILE 476 CO 0.50 0.08 -0.14 -0.33 -0.69 0.00 0.00 178.15 177.57 3i63 h GLU 477 N 0.42 0.51 -0.21 2.37 3.07 -2.02 -2.86 114.58 115.87 3i63 h GLU 477 Ca 0.31 -0.15 -0.08 0.00 -0.50 0.00 0.00 59.36 58.94 3i63 h GLU 477 Cb 0.64 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 3i63 h GLU 477 CO -0.09 0.64 -0.22 0.93 -1.40 0.00 0.00 179.01 178.87 3i63 h GLU 478 N 0.47 0.37 -7.05 2.33 5.08 -1.50 -3.45 114.58 110.82 3i63 h GLU 478 Ca 0.08 -0.12 -0.49 0.00 -1.00 0.00 0.00 59.36 57.83 3i63 h GLU 478 Cb 0.52 -0.03 0.05 0.00 0.50 0.00 0.00 28.75 29.79 3i63 h GLU 478 CO 0.03 0.58 0.43 -1.64 -1.00 0.00 0.00 179.01 177.41 3i63 s MET 479 N -4.54 3.63 0.55 2.33 -1.94 -1.08 -4.57 119.30 113.68 3i63 s MET 479 Ca -0.06 1.57 -0.19 0.00 -1.71 0.00 0.00 55.69 55.30 3i63 s MET 479 Cb 0.14 -2.16 -0.05 0.00 2.01 0.00 0.00 34.83 34.77 3i63 s MET 479 CO 0.77 -0.61 1.10 0.20 -0.01 0.00 0.00 175.02 176.47 3i63 s GLY 480 N -1.72 2.49 0.19 -0.03 0.00 0.52 -4.92 107.32 103.84 3i63 s GLY 480 Ca 0.68 0.70 0.02 0.00 0.00 0.00 0.00 44.72 46.11 3i63 s GLY 480 CO 0.27 1.04 0.02 0.54 0.00 0.00 0.00 173.10 174.97 3i63 s LYS 481 N -3.47 1.16 0.12 2.90 -0.14 -1.26 -3.03 119.74 116.02 3i63 s LYS 481 Ca 0.70 -1.57 -0.34 0.00 -1.36 0.00 0.00 55.97 53.39 3i63 s LYS 481 Cb -0.21 -0.25 -0.14 0.00 -1.68 0.00 0.00 37.83 35.56 3i63 s LYS 481 CO 0.28 -0.17 1.59 -3.47 -0.76 0.00 0.00 175.35 172.83 3i63 n ASP 482 N -0.28 3.01 -0.27 2.83 2.03 -1.26 -2.91 116.55 119.71 3i63 n ASP 482 Ca -0.05 1.07 0.05 0.00 0.52 0.00 0.00 54.79 56.38 3i63 n ASP 482 Cb 0.64 -1.40 0.27 0.00 -0.72 0.00 0.00 41.12 39.91 3i63 n ASP 482 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i63 h ALA 483 N 6.21 1.56 -0.55 -1.67 0.00 -1.39 -0.57 119.26 122.84 3i63 h ALA 483 Ca -0.46 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 3i63 h ALA 483 Cb 1.26 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3i63 h ALA 483 CO 0.89 0.31 0.05 0.72 0.00 0.00 0.00 179.25 181.21 3i63 n HIS 484 N -4.49 1.97 -3.66 0.00 8.25 -1.26 -4.77 115.22 111.26 3i63 n HIS 484 Ca 0.13 -0.85 -0.22 0.00 -0.26 0.00 0.00 57.72 56.52 3i63 n HIS 484 Cb 0.20 -0.52 0.01 0.00 1.12 0.00 0.00 29.99 30.80 3i63 n HIS 484 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3i63 n ASP 485 N 0.28 -2.50 0.00 0.41 2.03 -0.22 -1.56 116.55 114.99 3i63 n ASP 485 Ca 0.29 -0.68 0.00 0.00 0.52 0.00 0.00 54.79 54.93 3i63 n ASP 485 Cb 1.19 -0.91 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 3i63 n ASP 485 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3i63 n PHE 486 N -2.67 0.00 0.33 -0.67 3.01 -1.26 -4.79 117.46 111.41 3i63 n PHE 486 Ca -0.11 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.41 3i63 n PHE 486 Cb 0.35 -1.79 0.28 0.00 -0.01 0.00 0.00 39.48 38.31 3i63 n PHE 486 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i63 n ALA 487 N 1.00 1.45 0.28 4.37 0.00 -0.60 -1.90 120.51 125.10 3i63 n ALA 487 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 3i63 n ALA 487 Cb 0.36 -1.20 0.79 0.00 0.00 0.00 0.00 19.45 19.40 3i63 n ALA 487 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3i63 h TRP 488 N 0.00 0.00 0.00 0.00 5.08 -1.87 -2.72 115.95 116.44 3i63 h TRP 488 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3i63 h TRP 488 Cb 0.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.35 3i63 h TRP 488 CO 0.00 0.08 0.00 0.00 -1.28 0.00 0.00 178.44 177.24 3i63 n ALA 489 N -2.22 1.95 0.20 0.11 0.00 -0.80 -2.04 120.51 117.71 3i63 n ALA 489 Ca -0.02 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.54 3i63 n ALA 489 Cb 0.22 -1.43 0.34 0.00 0.00 0.00 0.00 19.45 18.58 3i63 n ALA 489 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3i63 h ASP 490 N 0.00 0.00 0.31 0.00 5.19 -1.69 -0.88 116.42 119.36 3i63 h ASP 490 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3i63 h ASP 490 Cb 0.54 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.05 3i63 h ASP 490 CO 0.00 0.29 -0.02 0.29 -3.12 0.00 0.00 179.24 176.69 3i63 n LYS 491 N -3.36 0.71 0.00 3.56 5.02 -0.86 -5.20 118.16 118.03 3i63 n LYS 491 Ca 0.01 -0.06 0.02 0.00 -2.02 0.00 0.00 58.31 56.25 3i63 n LYS 491 Cb 0.51 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.04 3i63 n LYS 491 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88