#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aa6 s LYS 2 N 0.00 0.79 -0.18 2.12 -2.85 0.14 -4.98 119.74 114.78 1aa6 s LYS 2 Ca 0.00 -1.07 -0.01 0.00 -1.00 0.00 0.00 55.97 53.89 1aa6 s LYS 2 Cb 0.00 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.07 1aa6 s LYS 2 CO 0.00 -0.23 -0.13 0.15 0.10 0.00 0.00 175.35 175.24 1aa6 s LYS 3 N -3.89 3.21 -0.19 1.78 1.02 -1.26 0.92 119.74 121.33 1aa6 s LYS 3 Ca 0.07 -0.73 -0.07 0.00 0.02 0.00 0.00 55.97 55.26 1aa6 s LYS 3 Cb 0.06 -2.73 -0.04 0.00 -0.52 0.00 0.00 37.83 34.60 1aa6 s LYS 3 CO -0.10 -0.11 0.06 0.08 -0.92 0.00 0.00 175.35 174.36 1aa6 s VAL 4 N 1.16 4.72 0.08 3.17 1.01 0.75 -4.88 120.40 126.42 1aa6 s VAL 4 Ca 0.01 -0.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.66 1aa6 s VAL 4 Cb -0.14 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.05 1aa6 s VAL 4 CO -0.05 0.45 0.87 -0.69 0.00 0.00 0.00 175.10 175.68 1aa6 s VAL 5 N 0.48 4.59 0.28 2.92 1.01 -1.26 0.09 120.40 128.51 1aa6 s VAL 5 Ca 0.03 1.86 0.01 0.00 0.00 0.00 0.00 61.98 63.88 1aa6 s VAL 5 Cb -0.13 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 32.03 1aa6 s VAL 5 CO 0.01 0.35 0.35 1.07 0.00 0.00 0.00 175.10 176.87 1aa6 n THR 6 N 2.74 0.00 -5.09 3.92 5.66 0.12 -1.20 114.28 120.43 1aa6 n THR 6 Ca -0.00 -1.62 -0.29 0.00 -3.05 0.00 0.00 64.05 59.09 1aa6 n THR 6 Cb 0.50 0.93 -0.16 0.00 -1.55 0.00 0.00 70.33 70.04 1aa6 n THR 6 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1aa6 s VAL 7 N -2.85 1.79 0.22 1.08 1.01 -1.26 -0.67 120.40 119.71 1aa6 s VAL 7 Ca 0.26 -0.93 -0.32 0.00 0.00 0.00 0.00 61.98 61.00 1aa6 s VAL 7 Cb -0.00 -1.51 -0.14 0.00 0.00 0.00 0.00 36.38 34.73 1aa6 s VAL 7 CO 0.19 0.50 1.41 0.00 0.00 0.00 0.00 175.10 177.20 1aa6 n PRO 9 N 2.16 3.94 0.00 0.00 -0.04 -1.26 -4.74 135.00 135.05 1aa6 n PRO 9 Ca 0.12 -2.82 0.00 0.00 -0.04 0.00 0.00 63.50 60.76 1aa6 n PRO 9 Cb 0.31 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1aa6 n PRO 9 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1aa6 n TYR 10 N 0.18 0.00 -2.65 0.54 4.01 -1.26 -4.62 117.16 113.35 1aa6 n TYR 10 Ca 0.32 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.85 1aa6 n TYR 10 Cb 1.23 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 40.29 1aa6 n TYR 10 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1aa6 n ALA 12 N -2.36 2.10 0.30 0.00 0.00 0.21 -3.79 120.51 116.97 1aa6 n ALA 12 Ca 0.07 -0.02 0.17 0.00 0.00 0.00 0.00 53.44 53.66 1aa6 n ALA 12 Cb 0.59 -1.06 0.92 0.00 0.00 0.00 0.00 19.45 19.90 1aa6 n ALA 12 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1aa6 h SER 13 N 0.00 0.00 -1.17 0.00 0.02 -1.90 -1.16 113.55 109.35 1aa6 h SER 13 Ca 0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 1aa6 h SER 13 Cb 0.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 1aa6 h SER 13 CO 0.00 0.04 -0.26 0.61 -1.14 0.00 0.00 176.83 176.08 1aa6 n GLY 14 N -0.78 0.50 3.68 -3.77 0.00 -1.25 -4.75 105.19 98.83 1aa6 n GLY 14 Ca -0.02 -0.44 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 1aa6 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aa6 s LYS 16 N -0.43 4.43 -0.03 0.00 -0.14 -1.26 -0.80 119.74 121.51 1aa6 s LYS 16 Ca 0.67 0.91 0.06 0.00 -1.36 0.00 0.00 55.97 56.24 1aa6 s LYS 16 Cb -0.62 -3.39 -0.01 0.00 -1.68 0.00 0.00 37.83 32.13 1aa6 s LYS 16 CO 0.49 0.21 -0.19 0.42 -0.76 0.00 0.00 175.35 175.53 1aa6 s ILE 17 N 0.27 1.54 -0.45 2.17 1.01 0.15 -1.05 121.20 124.85 1aa6 s ILE 17 Ca 0.36 -0.81 -0.16 0.00 0.00 0.00 0.00 60.65 60.04 1aa6 s ILE 17 Cb -0.19 -1.29 0.04 0.00 0.01 0.00 0.00 42.46 41.04 1aa6 s ILE 17 CO 0.19 0.44 0.39 0.20 0.00 0.00 0.00 174.94 176.16 1aa6 s ASN 18 N -0.30 6.15 -0.19 3.58 0.01 0.11 0.10 114.94 124.41 1aa6 s ASN 18 Ca 0.04 -1.04 -0.24 0.00 -0.71 0.00 0.00 52.86 50.91 1aa6 s ASN 18 Cb -0.09 -2.19 -0.02 0.00 0.41 0.00 0.00 41.25 39.36 1aa6 s ASN 18 CO 0.00 -0.59 0.77 -0.76 -1.51 0.00 0.00 177.10 175.02 1aa6 s LEU 19 N 1.82 4.15 -0.28 0.60 1.43 0.11 -1.03 118.68 125.48 1aa6 s LEU 19 Ca 0.07 1.05 -0.22 0.00 -1.03 0.00 0.00 54.13 54.00 1aa6 s LEU 19 Cb -0.21 -3.13 -0.01 0.00 0.03 0.00 0.00 46.19 42.87 1aa6 s LEU 19 CO 0.09 -0.38 0.71 -0.69 0.23 0.00 0.00 176.35 176.31 1aa6 s VAL 20 N 2.19 4.89 -0.17 -1.59 1.01 0.51 -0.18 120.40 127.07 1aa6 s VAL 20 Ca 0.35 1.14 -0.06 0.00 0.00 0.00 0.00 61.98 63.41 1aa6 s VAL 20 Cb -0.16 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1aa6 s VAL 20 CO 0.11 -0.12 0.04 -0.69 0.00 0.00 0.00 175.10 174.44 1aa6 s VAL 21 N 2.72 4.56 -0.15 2.92 1.01 0.26 0.43 120.40 132.15 1aa6 s VAL 21 Ca 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 1aa6 s VAL 21 Cb -0.15 -3.03 0.05 0.00 0.00 0.00 0.00 36.38 33.25 1aa6 s VAL 21 CO 0.10 0.49 0.02 -0.62 0.00 0.00 0.00 175.10 175.09 1aa6 s ASP 22 N 0.22 2.48 0.99 3.32 2.15 0.28 -0.69 116.67 125.42 1aa6 s ASP 22 Ca 0.02 -0.58 0.00 0.00 0.43 0.00 0.00 52.55 52.43 1aa6 s ASP 22 Cb -0.13 -0.56 0.00 0.00 -0.30 0.00 0.00 42.92 41.93 1aa6 s ASP 22 CO 0.01 -0.26 0.00 0.59 -0.17 0.00 0.00 175.17 175.34 1aa6 n ASN 23 N 5.07 0.00 -2.08 -0.34 4.13 -1.26 -3.26 115.26 117.53 1aa6 n ASN 23 Ca -0.09 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.09 1aa6 n ASN 23 Cb 0.48 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.78 1aa6 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1aa6 n GLY 24 N 0.00 3.99 3.02 7.41 0.00 -1.26 -5.03 105.19 113.32 1aa6 n GLY 24 Ca 0.00 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 1aa6 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aa6 s LYS 25 N -3.23 0.39 -0.03 1.61 1.02 -1.20 -4.73 119.74 113.57 1aa6 s LYS 25 Ca 0.39 -0.64 -0.28 0.00 0.02 0.00 0.00 55.97 55.45 1aa6 s LYS 25 Cb 0.37 0.15 -0.03 0.00 -0.52 0.00 0.00 37.83 37.80 1aa6 s LYS 25 CO -0.03 -0.08 0.91 0.42 -0.92 0.00 0.00 175.35 175.66 1aa6 s ILE 26 N -1.78 4.90 -0.14 2.17 1.01 -1.26 -0.56 121.20 125.55 1aa6 s ILE 26 Ca -0.13 1.90 0.06 0.00 0.00 0.00 0.00 60.65 62.49 1aa6 s ILE 26 Cb -0.07 -4.25 -0.23 0.00 0.01 0.00 0.00 42.46 37.92 1aa6 s ILE 26 CO -0.02 0.16 0.29 0.52 0.00 0.00 0.00 174.94 175.90 1aa6 n VAL 27 N 3.97 1.59 -3.84 2.92 0.31 0.17 -4.89 118.33 118.56 1aa6 n VAL 27 Ca 0.05 -0.73 0.02 0.00 -0.01 0.00 0.00 64.34 63.67 1aa6 n VAL 27 Cb 0.51 -1.19 0.01 0.00 -0.91 0.00 0.00 33.84 32.25 1aa6 n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1aa6 s ARG 28 N -2.55 0.38 0.05 5.55 1.70 -1.16 -5.02 118.95 117.89 1aa6 s ARG 28 Ca -0.16 -0.23 0.04 0.00 -0.47 0.00 0.00 55.73 54.91 1aa6 s ARG 28 Cb 0.07 0.11 -0.02 0.00 -0.57 0.00 0.00 34.95 34.54 1aa6 s ARG 28 CO 0.77 -0.18 -0.12 0.00 -1.08 0.00 0.00 175.30 174.69 1aa6 s ALA 29 N -2.15 1.00 0.02 7.88 0.00 -1.26 -0.37 121.76 126.87 1aa6 s ALA 29 Ca 0.23 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 1aa6 s ALA 29 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1aa6 s ALA 29 CO -0.02 0.14 0.05 -1.83 0.00 0.00 0.00 175.76 174.10 1aa6 s GLU 30 N -1.42 0.44 0.70 0.00 -1.05 -0.20 -4.90 118.70 112.27 1aa6 s GLU 30 Ca -0.02 -0.61 -0.16 0.00 -0.15 0.00 0.00 54.97 54.02 1aa6 s GLU 30 Cb -0.09 0.17 0.02 0.00 -0.44 0.00 0.00 34.13 33.79 1aa6 s GLU 30 CO 0.01 -0.09 1.25 0.00 0.95 0.00 0.00 175.26 177.38 1aa6 n ALA 31 N 1.30 0.74 -2.64 -0.84 0.00 -1.26 0.09 120.51 117.90 1aa6 n ALA 31 Ca -0.22 -0.11 -0.29 0.00 0.00 0.00 0.00 53.44 52.83 1aa6 n ALA 31 Cb 0.56 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.61 1aa6 n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aa6 s ALA 32 N -1.62 3.31 -1.40 0.00 0.00 -0.21 -4.40 121.76 117.44 1aa6 s ALA 32 Ca 0.80 -2.03 -0.08 0.00 0.00 0.00 0.00 51.96 50.65 1aa6 s ALA 32 Cb -0.35 0.14 0.07 0.00 0.00 0.00 0.00 23.12 22.98 1aa6 s ALA 32 CO 0.44 -0.11 2.41 1.04 0.00 0.00 0.00 175.76 179.54 1aa6 n GLN 33 N -1.02 4.07 -1.15 0.00 1.13 -1.26 -0.94 117.38 118.21 1aa6 n GLN 33 Ca -0.07 -3.11 -0.29 0.00 -1.94 0.00 0.00 57.00 51.59 1aa6 n GLN 33 Cb 0.67 -2.78 0.19 0.00 0.11 0.00 0.00 30.24 28.43 1aa6 n GLN 33 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1aa6 s GLY 34 N 1.10 1.56 0.07 1.08 0.00 -1.26 -4.73 107.32 105.14 1aa6 s GLY 34 Ca 0.54 -0.48 -0.21 0.00 0.00 0.00 0.00 44.72 44.58 1aa6 s GLY 34 CO -0.07 0.19 1.52 1.70 0.00 0.00 0.00 173.10 176.44 1aa6 h LYS 35 N -2.05 0.28 0.14 2.90 1.63 -1.90 -1.80 116.57 115.78 1aa6 h LYS 35 Ca -0.54 -0.08 -0.22 0.00 -0.85 0.00 0.00 60.65 58.96 1aa6 h LYS 35 Cb 1.33 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.94 1aa6 h LYS 35 CO 0.54 0.47 -1.02 1.79 -3.45 0.00 0.00 179.45 177.78 1aa6 h THR 36 N 0.05 1.36 0.00 1.00 1.35 -1.86 -3.39 112.91 111.42 1aa6 h THR 36 Ca 0.05 -2.50 -0.19 0.00 -0.55 0.00 0.00 66.41 63.22 1aa6 h THR 36 Cb 0.33 3.04 -0.03 0.00 -1.73 0.00 0.00 68.15 69.76 1aa6 h THR 36 CO 0.01 0.71 -1.25 -0.55 -0.25 0.00 0.00 175.52 174.19 1aa6 h ASN 37 N -0.34 0.00 -7.00 5.36 -1.07 -1.86 -3.48 115.58 107.19 1aa6 h ASN 37 Ca -0.20 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 55.60 1aa6 h ASN 37 Cb 1.70 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.91 1aa6 h ASN 37 CO 0.13 0.71 -0.95 0.00 0.07 0.00 0.00 177.43 177.39 1aa6 n GLN 38 N -3.05 -0.31 -0.83 4.14 6.02 -0.67 -1.68 117.38 121.00 1aa6 n GLN 38 Ca -0.08 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1aa6 n GLN 38 Cb 0.88 -2.34 0.00 0.00 1.02 0.00 0.00 30.24 29.80 1aa6 n GLN 38 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1aa6 n GLY 39 N -2.09 0.50 3.03 1.08 0.00 -0.12 -4.91 105.19 102.68 1aa6 n GLY 39 Ca -0.12 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 1aa6 n GLY 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aa6 s THR 40 N -2.00 0.57 0.05 2.61 -4.23 -0.67 -4.83 115.64 107.13 1aa6 s THR 40 Ca 0.00 -0.67 -0.02 0.00 -1.18 0.00 0.00 61.69 59.82 1aa6 s THR 40 Cb 0.00 -0.55 -0.03 0.00 1.34 0.00 0.00 72.50 73.26 1aa6 s THR 40 CO 0.00 -0.09 0.01 -0.76 -0.54 0.00 0.00 174.62 173.24 1aa6 s LEU 41 N -0.82 2.25 0.55 4.79 1.43 -1.26 -4.74 118.68 120.87 1aa6 s LEU 41 Ca -0.03 -0.81 0.09 0.00 -1.03 0.00 0.00 54.13 52.36 1aa6 s LEU 41 Cb -0.06 0.31 0.07 0.00 0.03 0.00 0.00 46.19 46.54 1aa6 s LEU 41 CO 0.00 -0.54 0.75 0.00 0.23 0.00 0.00 176.35 176.80 1aa6 h LEU 43 N 0.26 0.42 -0.26 0.00 5.85 -1.98 -1.99 115.31 117.61 1aa6 h LEU 43 Ca -0.32 0.19 -0.21 0.00 0.84 0.00 0.00 57.88 58.38 1aa6 h LEU 43 Cb 1.29 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1aa6 h LEU 43 CO 0.42 -0.20 -0.83 0.11 -0.34 0.00 0.00 178.44 177.59 1aa6 h LYS 44 N 0.21 0.47 0.01 1.25 1.57 -1.94 -0.94 116.57 117.21 1aa6 h LYS 44 Ca 0.77 -0.44 -0.22 0.00 -1.87 0.00 0.00 60.65 58.89 1aa6 h LYS 44 Cb 1.96 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 34.37 1aa6 h LYS 44 CO -0.59 1.08 -0.94 0.78 -0.57 0.00 0.00 179.45 179.21 1aa6 h GLY 45 N 1.13 0.36 0.71 3.86 0.00 -1.78 0.38 103.07 107.72 1aa6 h GLY 45 Ca -0.06 -0.65 -0.06 0.00 0.00 0.00 0.00 47.33 46.57 1aa6 h GLY 45 CO 0.15 0.57 -0.15 -1.82 0.00 0.00 0.00 176.54 175.29 1aa6 h TYR 46 N 0.17 0.38 0.00 5.60 3.20 -1.39 -3.37 116.97 121.56 1aa6 h TYR 46 Ca -0.07 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.68 1aa6 h TYR 46 Cb 1.58 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.78 1aa6 h TYR 46 CO 0.05 0.74 -0.55 0.66 -1.64 0.00 0.00 178.16 177.43 1aa6 n TYR 47 N -4.57 0.00 0.89 -3.82 4.01 -0.36 -4.48 117.16 108.83 1aa6 n TYR 47 Ca -0.07 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1aa6 n TYR 47 Cb 0.37 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.41 1aa6 n TYR 47 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1aa6 n GLY 48 N 1.28 1.78 0.08 2.72 0.00 0.13 -3.84 105.19 107.34 1aa6 n GLY 48 Ca 0.02 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.10 1aa6 n GLY 48 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1aa6 n TRP 49 N 0.17 0.64 -0.34 1.61 4.27 -1.26 -4.43 117.44 118.09 1aa6 n TRP 49 Ca 0.02 0.19 0.22 0.00 -3.89 0.00 0.00 57.50 54.04 1aa6 n TRP 49 Cb 0.40 -0.77 0.48 0.00 -1.36 0.00 0.00 31.31 30.05 1aa6 n TRP 49 CO 0.00 0.00 0.00 0.22 -2.29 0.00 0.00 177.69 175.62 1aa6 h ASP 50 N 0.00 0.51 -0.86 -0.67 3.58 -1.89 -2.96 116.42 114.13 1aa6 h ASP 50 Ca 0.00 0.11 0.25 0.00 0.42 0.00 0.00 57.03 57.80 1aa6 h ASP 50 Cb 0.96 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.00 1aa6 h ASP 50 CO 0.00 0.07 0.66 2.19 -2.88 0.00 0.00 179.24 179.28 1aa6 h PHE 51 N 0.43 0.00 -0.83 0.28 -5.15 -1.77 -1.70 116.94 108.20 1aa6 h PHE 51 Ca 0.63 0.00 0.13 0.00 -0.20 0.00 0.00 57.97 58.53 1aa6 h PHE 51 Cb 1.49 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 37.60 1aa6 h PHE 51 CO -0.00 0.00 0.54 0.82 -2.00 0.00 0.00 178.31 177.67 1aa6 h ILE 52 N 0.00 0.85 0.00 0.88 2.04 -1.85 -2.60 117.51 116.83 1aa6 h ILE 52 Ca 0.41 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 66.05 1aa6 h ILE 52 Cb 1.73 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1aa6 h ILE 52 CO -0.00 0.11 0.00 0.59 0.00 0.00 0.00 178.15 178.85 1aa6 n ASN 53 N -4.53 0.00 -3.49 1.72 3.02 -0.64 -4.92 115.26 106.42 1aa6 n ASN 53 Ca 0.16 -1.70 -0.21 0.00 -0.03 0.00 0.00 54.58 52.79 1aa6 n ASN 53 Cb 0.45 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.66 1aa6 n ASN 53 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1aa6 n ASP 54 N -0.52 -6.02 0.19 6.41 2.03 -0.98 -4.90 116.55 112.76 1aa6 n ASP 54 Ca 0.01 -0.76 0.03 0.00 0.52 0.00 0.00 54.79 54.58 1aa6 n ASP 54 Cb 0.00 -3.87 0.37 0.00 -0.72 0.00 0.00 41.12 36.91 1aa6 n ASP 54 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1aa6 h THR 55 N -1.06 1.23 -0.70 5.18 1.35 -1.80 -3.47 112.91 113.63 1aa6 h THR 55 Ca -0.51 -1.23 -0.30 0.00 -0.55 0.00 0.00 66.41 63.81 1aa6 h THR 55 Cb 1.28 1.67 -0.12 0.00 -1.73 0.00 0.00 68.15 69.25 1aa6 h THR 55 CO 0.42 0.35 -0.27 0.00 -0.25 0.00 0.00 175.52 175.77 1aa6 n GLN 56 N -4.08 -1.16 -0.12 4.72 6.02 -1.26 -4.87 117.38 116.64 1aa6 n GLN 56 Ca -0.02 1.01 -0.00 0.00 -0.01 0.00 0.00 57.00 57.98 1aa6 n GLN 56 Cb 0.40 -5.19 0.26 0.00 1.02 0.00 0.00 30.24 26.73 1aa6 n GLN 56 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1aa6 h ILE 57 N 0.00 1.19 0.00 5.09 2.04 -1.88 -3.38 117.51 120.57 1aa6 h ILE 57 Ca -0.30 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1aa6 h ILE 57 Cb 1.03 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1aa6 h ILE 57 CO 0.44 0.23 -0.10 -0.11 0.00 0.00 0.00 178.15 178.61 1aa6 n LEU 58 N -4.35 1.17 -3.87 1.44 7.94 -1.26 -5.03 117.00 113.04 1aa6 n LEU 58 Ca 0.05 0.16 -0.11 0.00 -1.11 0.00 0.00 56.01 54.99 1aa6 n LEU 58 Cb 0.14 -0.37 -0.10 0.00 0.53 0.00 0.00 43.42 43.63 1aa6 n LEU 58 CO 0.38 -0.70 -0.16 0.42 -1.11 0.00 0.00 177.39 176.21 1aa6 s THR 59 N -2.06 0.09 0.46 1.96 -4.23 -1.26 -4.80 115.64 105.80 1aa6 s THR 59 Ca -0.03 -0.74 -0.20 0.00 -1.18 0.00 0.00 61.69 59.54 1aa6 s THR 59 Cb 0.00 -0.52 -0.10 0.00 1.34 0.00 0.00 72.50 73.23 1aa6 s THR 59 CO 0.04 -0.41 0.97 -2.16 -0.54 0.00 0.00 174.62 172.53 1aa6 s PRO 60 N -1.60 4.08 0.44 3.99 0.04 -1.26 -4.28 135.00 136.41 1aa6 s PRO 60 Ca -0.13 1.14 -0.23 0.00 0.04 0.00 0.00 61.00 61.82 1aa6 s PRO 60 Cb -0.06 -2.15 -0.08 0.00 0.04 0.00 0.00 34.50 32.24 1aa6 s PRO 60 CO 0.01 -0.16 1.09 0.50 0.04 0.00 0.00 177.00 178.48 1aa6 s ARG 61 N -3.36 3.93 0.09 4.56 3.52 -1.26 -1.85 118.95 124.58 1aa6 s ARG 61 Ca 0.62 1.59 -0.30 0.00 -0.13 0.00 0.00 55.73 57.51 1aa6 s ARG 61 Cb -0.11 -2.41 -0.06 0.00 -1.56 0.00 0.00 34.95 30.82 1aa6 s ARG 61 CO 0.18 -0.36 1.15 -0.51 -0.81 0.00 0.00 175.30 174.95 1aa6 s LEU 62 N -2.95 4.40 -0.06 -0.88 1.43 0.05 -4.80 118.68 115.87 1aa6 s LEU 62 Ca 0.62 2.00 0.07 0.00 -1.03 0.00 0.00 54.13 55.79 1aa6 s LEU 62 Cb -0.24 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.30 1aa6 s LEU 62 CO 0.29 -0.39 0.06 0.29 0.23 0.00 0.00 176.35 176.83 1aa6 n LYS 63 N 3.51 2.29 -3.97 1.70 5.02 -1.26 -4.80 118.16 120.64 1aa6 n LYS 63 Ca 0.07 -0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 56.25 1aa6 n LYS 63 Cb 0.47 -1.19 -0.10 0.00 -0.02 0.00 0.00 35.03 34.18 1aa6 n LYS 63 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1aa6 s THR 64 N -2.25 0.13 0.87 -0.18 -4.23 -1.26 -4.46 115.64 104.25 1aa6 s THR 64 Ca -0.04 -1.07 -0.11 0.00 -1.18 0.00 0.00 61.69 59.29 1aa6 s THR 64 Cb 0.03 -0.63 0.11 0.00 1.34 0.00 0.00 72.50 73.35 1aa6 s THR 64 CO 0.31 -0.59 1.09 -2.16 -0.54 0.00 0.00 174.62 172.73 1aa6 s PRO 65 N -2.11 1.48 0.08 3.99 0.04 -1.25 -4.52 135.00 132.70 1aa6 s PRO 65 Ca -0.10 0.90 -0.13 0.00 0.04 0.00 0.00 61.00 61.71 1aa6 s PRO 65 Cb -0.05 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.68 1aa6 s PRO 65 CO -0.03 -2.11 0.29 -1.64 0.04 0.00 0.00 177.00 173.55 1aa6 s MET 66 N -4.93 0.89 0.00 4.56 -1.94 -0.80 -1.51 119.30 115.57 1aa6 s MET 66 Ca 0.63 -0.71 0.01 0.00 -1.71 0.00 0.00 55.69 53.91 1aa6 s MET 66 Cb -0.18 0.38 -0.00 0.00 2.01 0.00 0.00 34.83 37.04 1aa6 s MET 66 CO 0.57 -0.30 -0.03 0.42 -0.01 0.00 0.00 175.02 175.67 1aa6 s ILE 67 N -3.31 0.20 -0.67 2.53 1.01 -0.68 -0.97 121.20 119.31 1aa6 s ILE 67 Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 1aa6 s ILE 67 Cb 0.02 -0.20 0.17 0.00 0.01 0.00 0.00 42.46 42.46 1aa6 s ILE 67 CO -0.08 -0.03 0.52 -0.60 0.00 0.00 0.00 174.94 174.75 1aa6 s ARG 68 N -0.28 2.82 0.00 2.79 3.52 0.19 -0.65 118.95 127.35 1aa6 s ARG 68 Ca -0.01 -2.46 0.00 0.00 -0.13 0.00 0.00 55.73 53.12 1aa6 s ARG 68 Cb -0.02 -3.92 0.00 0.00 -1.56 0.00 0.00 34.95 29.44 1aa6 s ARG 68 CO -0.00 -1.20 0.60 0.54 -0.81 0.00 0.00 175.30 174.42 1aa6 n ARG 69 N 3.70 0.75 -3.48 5.12 1.74 -1.26 -4.56 116.66 118.67 1aa6 n ARG 69 Ca 0.08 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.18 1aa6 n ARG 69 Cb 0.40 -1.23 -0.05 0.00 -1.02 0.00 0.00 32.46 30.56 1aa6 n ARG 69 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1aa6 s GLN 70 N -0.27 0.20 0.29 5.56 0.74 -1.26 -5.06 119.66 119.86 1aa6 s GLN 70 Ca 0.00 0.41 0.03 0.00 0.05 0.00 0.00 55.36 55.85 1aa6 s GLN 70 Cb 0.00 0.15 0.74 0.00 1.10 0.00 0.00 33.01 35.00 1aa6 s GLN 70 CO 0.00 -0.05 1.66 0.00 -0.55 0.00 0.00 175.29 176.34 1aa6 h ARG 71 N 6.43 0.24 -5.93 1.67 2.47 -2.01 -1.61 114.38 115.64 1aa6 h ARG 71 Ca -0.21 -0.01 -0.52 0.00 -1.26 0.00 0.00 59.98 57.98 1aa6 h ARG 71 Cb 1.15 -0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 29.33 1aa6 h ARG 71 CO 0.15 0.16 1.38 0.20 0.56 0.00 0.00 179.97 182.42 1aa6 s GLY 72 N -3.93 0.97 0.08 0.04 0.00 -1.26 -4.89 107.32 98.33 1aa6 s GLY 72 Ca -0.12 -2.16 0.05 0.00 0.00 0.00 0.00 44.72 42.49 1aa6 s GLY 72 CO 0.77 2.95 -0.02 -0.32 0.00 0.00 0.00 173.10 176.48 1aa6 s GLY 73 N 5.73 1.88 -0.44 0.20 0.00 -0.61 -5.02 107.32 109.06 1aa6 s GLY 73 Ca 0.55 -1.11 -0.09 0.00 0.00 0.00 0.00 44.72 44.06 1aa6 s GLY 73 CO -0.04 -1.07 0.29 0.54 0.00 0.00 0.00 173.10 172.82 1aa6 s LYS 74 N -2.15 2.55 -0.32 2.90 1.02 -1.26 -5.00 119.74 117.47 1aa6 s LYS 74 Ca 0.24 -1.58 -0.29 0.00 0.02 0.00 0.00 55.97 54.36 1aa6 s LYS 74 Cb -0.12 -3.84 -0.01 0.00 -0.52 0.00 0.00 37.83 33.35 1aa6 s LYS 74 CO 0.16 -1.05 1.50 -1.17 -0.92 0.00 0.00 175.35 173.87 1aa6 s LEU 75 N 1.40 3.72 -0.09 3.17 2.96 -1.26 -4.35 118.68 124.23 1aa6 s LEU 75 Ca 0.04 1.20 0.01 0.00 -0.22 0.00 0.00 54.13 55.16 1aa6 s LEU 75 Cb -0.24 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.89 1aa6 s LEU 75 CO 0.01 -1.35 -0.11 -1.61 -1.32 0.00 0.00 176.35 171.97 1aa6 s GLU 76 N 4.81 2.92 0.52 1.98 0.41 0.18 -4.89 118.70 124.62 1aa6 s GLU 76 Ca 0.66 -0.63 -0.22 0.00 -0.41 0.00 0.00 54.97 54.37 1aa6 s GLU 76 Cb -0.19 -2.56 -0.07 0.00 -1.78 0.00 0.00 34.13 29.53 1aa6 s GLU 76 CO 0.30 0.49 1.08 -0.35 -0.49 0.00 0.00 175.26 176.29 1aa6 n PRO 77 N 2.71 1.30 -3.76 0.39 -0.04 -1.26 -1.69 135.00 132.65 1aa6 n PRO 77 Ca -0.18 0.48 -0.10 0.00 -0.04 0.00 0.00 63.50 63.67 1aa6 n PRO 77 Cb 0.53 -2.23 -0.05 0.00 -0.04 0.00 0.00 33.50 31.70 1aa6 n PRO 77 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1aa6 s VAL 78 N -1.37 0.07 0.60 0.52 0.11 -0.57 -4.84 120.40 114.92 1aa6 s VAL 78 Ca 0.69 -0.89 -0.15 0.00 -2.93 0.00 0.00 61.98 58.70 1aa6 s VAL 78 Cb -0.47 -1.45 -0.03 0.00 -1.53 0.00 0.00 36.38 32.90 1aa6 s VAL 78 CO 0.52 -0.31 1.05 -0.94 -3.33 0.00 0.00 175.10 172.09 1aa6 s SER 79 N -2.87 5.77 0.34 3.54 1.04 -1.26 -3.95 113.70 116.32 1aa6 s SER 79 Ca 0.08 1.77 0.05 0.00 0.48 0.00 0.00 55.95 58.33 1aa6 s SER 79 Cb 0.02 -2.53 0.70 0.00 0.10 0.00 0.00 66.02 64.31 1aa6 s SER 79 CO -0.07 -1.17 1.92 -0.50 0.98 0.00 0.00 173.24 174.40 1aa6 h TRP 80 N 0.28 0.86 -0.46 5.02 4.06 -1.98 -0.33 115.95 123.40 1aa6 h TRP 80 Ca -0.46 0.02 -0.07 0.00 2.06 0.00 0.00 58.89 60.44 1aa6 h TRP 80 Cb 1.22 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 29.08 1aa6 h TRP 80 CO 0.59 0.42 -0.00 0.22 -3.56 0.00 0.00 178.44 176.11 1aa6 h ASP 81 N 0.82 0.72 -0.03 -3.49 3.58 -1.98 0.12 116.42 116.15 1aa6 h ASP 81 Ca 0.37 -0.17 -0.26 0.00 0.42 0.00 0.00 57.03 57.39 1aa6 h ASP 81 Cb 0.35 -0.19 0.02 0.00 1.72 0.00 0.00 39.33 41.23 1aa6 h ASP 81 CO -0.14 0.79 -0.98 -0.08 -2.88 0.00 0.00 179.24 175.95 1aa6 h GLU 82 N 0.71 0.73 0.80 0.28 4.81 -1.60 -2.63 114.58 117.67 1aa6 h GLU 82 Ca 0.14 -0.74 -0.04 0.00 -0.13 0.00 0.00 59.36 58.59 1aa6 h GLU 82 Cb 0.44 0.20 0.01 0.00 0.63 0.00 0.00 28.75 30.02 1aa6 h GLU 82 CO 0.02 1.32 -0.38 0.00 -0.73 0.00 0.00 179.01 179.23 1aa6 h ALA 83 N 0.43 -1.18 -1.00 2.92 0.00 -0.88 -1.68 119.26 117.87 1aa6 h ALA 83 Ca -0.11 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 54.65 1aa6 h ALA 83 Cb 1.63 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 19.76 1aa6 h ALA 83 CO 0.20 -1.10 0.64 -0.07 0.00 0.00 0.00 179.25 178.92 1aa6 h LEU 84 N -1.17 0.99 -0.39 0.00 3.38 -0.91 -1.28 115.31 115.93 1aa6 h LEU 84 Ca -0.11 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 1aa6 h LEU 84 Cb 0.82 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1aa6 h LEU 84 CO 0.18 0.59 -0.15 -1.13 0.09 0.00 0.00 178.44 178.03 1aa6 h ASN 85 N 1.10 0.80 -0.61 -0.43 -0.73 -1.51 -1.82 115.58 112.39 1aa6 h ASN 85 Ca 0.46 -0.39 0.04 0.00 1.87 0.00 0.00 56.30 58.28 1aa6 h ASN 85 Cb 0.30 -0.22 -0.05 0.00 0.27 0.00 0.00 38.32 38.62 1aa6 h ASN 85 CO -0.21 1.01 0.34 0.22 -0.37 0.00 0.00 177.43 178.43 1aa6 h TYR 86 N 0.59 0.64 0.31 0.67 5.03 -0.53 -0.65 116.97 123.04 1aa6 h TYR 86 Ca 0.09 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.41 1aa6 h TYR 86 Cb 0.69 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.77 1aa6 h TYR 86 CO 0.05 0.33 -0.15 0.28 -1.32 0.00 0.00 178.16 177.35 1aa6 h VAL 87 N 0.66 0.59 -0.92 1.81 2.07 -1.20 -1.60 116.25 117.67 1aa6 h VAL 87 Ca 0.26 -0.72 0.13 0.00 0.82 0.00 0.00 66.70 67.19 1aa6 h VAL 87 Cb 0.11 0.91 -0.09 0.00 -1.52 0.00 0.00 31.29 30.70 1aa6 h VAL 87 CO -0.15 0.12 0.54 0.00 0.02 0.00 0.00 177.57 178.10 1aa6 h ALA 88 N -0.44 1.39 -0.07 1.67 0.00 -1.27 0.17 119.26 120.70 1aa6 h ALA 88 Ca -0.04 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1aa6 h ALA 88 Cb 0.52 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1aa6 h ALA 88 CO 0.07 0.08 -0.07 0.93 0.00 0.00 0.00 179.25 180.27 1aa6 h GLU 89 N 0.82 0.18 -0.14 0.00 5.08 -1.15 -1.45 114.58 117.93 1aa6 h GLU 89 Ca 0.47 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.77 1aa6 h GLU 89 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1aa6 h GLU 89 CO -0.30 0.60 -0.03 0.00 -1.00 0.00 0.00 179.01 178.29 1aa6 h ARG 90 N -0.24 0.01 -0.67 2.33 2.47 -0.65 0.11 114.38 117.73 1aa6 h ARG 90 Ca 0.01 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1aa6 h ARG 90 Cb 0.56 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.85 1aa6 h ARG 90 CO 0.02 0.01 0.36 -0.07 0.56 0.00 0.00 179.97 180.84 1aa6 h LEU 91 N 0.01 0.83 -0.05 3.04 3.38 -0.73 0.19 115.31 121.98 1aa6 h LEU 91 Ca 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1aa6 h LEU 91 Cb 0.09 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1aa6 h LEU 91 CO -0.13 0.67 -0.00 0.28 0.09 0.00 0.00 178.44 179.35 1aa6 h SER 92 N 0.93 0.09 -0.50 -0.43 0.02 -0.75 -1.08 113.55 111.83 1aa6 h SER 92 Ca 0.24 -0.33 0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1aa6 h SER 92 Cb 0.03 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1aa6 h SER 92 CO -0.04 0.40 0.33 0.00 -1.14 0.00 0.00 176.83 176.38 1aa6 h ALA 93 N 0.69 0.64 -0.62 3.77 0.00 -0.36 0.07 119.26 123.45 1aa6 h ALA 93 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1aa6 h ALA 93 Cb 0.36 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1aa6 h ALA 93 CO 0.00 0.06 0.30 0.82 0.00 0.00 0.00 179.25 180.44 1aa6 h ILE 94 N 0.66 1.22 -0.04 0.00 2.04 -0.64 -2.28 117.51 118.47 1aa6 h ILE 94 Ca 0.19 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1aa6 h ILE 94 Cb -0.06 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1aa6 h ILE 94 CO -0.05 0.25 0.02 0.50 0.00 0.00 0.00 178.15 178.87 1aa6 h LYS 95 N 0.85 0.06 -0.52 2.37 3.64 -0.52 -0.94 116.57 121.50 1aa6 h LYS 95 Ca 0.21 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1aa6 h LYS 95 Cb 0.12 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1aa6 h LYS 95 CO -0.03 0.15 0.32 0.93 -2.27 0.00 0.00 179.45 178.55 1aa6 h GLU 96 N -0.05 0.70 -0.21 1.90 4.39 -0.91 0.52 114.58 120.92 1aa6 h GLU 96 Ca 0.01 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 1aa6 h GLU 96 Cb 0.11 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1aa6 h GLU 96 CO -0.00 0.50 -0.23 -0.22 -1.16 0.00 0.00 179.01 177.90 1aa6 h LYS 97 N 0.70 0.53 0.00 2.33 3.64 -1.34 -3.37 116.57 119.06 1aa6 h LYS 97 Ca 0.19 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1aa6 h LYS 97 Cb -0.03 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1aa6 h LYS 97 CO -0.04 0.87 -0.57 0.66 -2.27 0.00 0.00 179.45 178.11 1aa6 n TYR 98 N -4.40 0.00 0.00 1.91 4.01 -0.37 -5.11 117.16 113.20 1aa6 n TYR 98 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1aa6 n TYR 98 Cb 0.42 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 1aa6 n TYR 98 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1aa6 n GLY 99 N 1.40 2.31 0.37 2.72 0.00 0.18 -4.65 105.19 107.52 1aa6 n GLY 99 Ca 0.01 -1.85 0.12 0.00 0.00 0.00 0.00 46.02 44.29 1aa6 n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aa6 h PRO 100 N 0.00 0.59 0.00 1.61 0.13 -1.84 -1.61 132.00 130.88 1aa6 h PRO 100 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1aa6 h PRO 100 Cb 0.00 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.00 1aa6 h PRO 100 CO 0.00 0.39 0.00 -0.25 -0.23 0.00 0.00 178.00 177.91 1aa6 n ASP 101 N -4.51 0.00 -0.07 1.44 8.00 -1.26 -2.26 116.55 117.89 1aa6 n ASP 101 Ca 0.14 -0.14 0.15 0.00 0.71 0.00 0.00 54.79 55.66 1aa6 n ASP 101 Cb 0.42 -0.16 0.82 0.00 -0.02 0.00 0.00 41.12 42.18 1aa6 n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aa6 n ALA 102 N -1.16 2.65 -2.34 2.24 0.00 -0.61 -4.63 120.51 116.66 1aa6 n ALA 102 Ca 0.08 -0.23 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 1aa6 n ALA 102 Cb 0.08 -1.45 -0.15 0.00 0.00 0.00 0.00 19.45 17.94 1aa6 n ALA 102 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1aa6 s ILE 103 N -2.16 2.17 -0.05 0.00 1.01 -0.96 0.17 121.20 121.39 1aa6 s ILE 103 Ca 0.41 -1.25 0.05 0.00 0.00 0.00 0.00 60.65 59.86 1aa6 s ILE 103 Cb 0.21 -1.81 -0.00 0.00 0.01 0.00 0.00 42.46 40.87 1aa6 s ILE 103 CO 0.40 0.46 -0.19 -1.58 0.00 0.00 0.00 174.94 174.02 1aa6 s GLN 104 N -0.98 2.00 0.19 2.79 2.00 -0.02 -4.79 119.66 120.84 1aa6 s GLN 104 Ca 0.11 -0.68 0.09 0.00 -2.00 0.00 0.00 55.36 52.88 1aa6 s GLN 104 Cb -0.10 -1.71 -0.04 0.00 0.80 0.00 0.00 33.01 31.95 1aa6 s GLN 104 CO 0.01 0.27 -0.19 0.95 -0.50 0.00 0.00 175.29 175.83 1aa6 s THR 105 N 0.02 1.96 0.10 -0.34 -4.23 -0.77 0.50 115.64 112.89 1aa6 s THR 105 Ca -0.05 -2.03 0.08 0.00 -1.18 0.00 0.00 61.69 58.52 1aa6 s THR 105 Cb -0.12 -1.96 -0.04 0.00 1.34 0.00 0.00 72.50 71.72 1aa6 s THR 105 CO 0.03 -0.33 -0.21 0.42 -0.54 0.00 0.00 174.62 173.98 1aa6 s THR 106 N -2.17 1.76 0.00 3.99 -4.23 -0.88 -3.04 115.64 111.07 1aa6 s THR 106 Ca 0.19 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1aa6 s THR 106 Cb -0.05 -1.59 0.00 0.00 1.34 0.00 0.00 72.50 72.20 1aa6 s THR 106 CO 0.08 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 1aa6 n GLY 107 N 1.08 0.39 3.39 3.99 0.00 -0.46 -4.43 105.19 109.14 1aa6 n GLY 107 Ca -0.19 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 43.86 1aa6 n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1aa6 s SER 108 N -1.00 -0.63 -0.13 1.61 0.15 -1.26 -4.68 113.70 107.76 1aa6 s SER 108 Ca 0.00 1.10 0.11 0.00 0.70 0.00 0.00 55.95 57.86 1aa6 s SER 108 Cb 0.00 1.07 0.56 0.00 -1.71 0.00 0.00 66.02 65.94 1aa6 s SER 108 CO 0.00 -0.21 1.39 -1.20 1.20 0.00 0.00 173.24 174.42 1aa6 n SER 109 N 4.47 4.03 0.00 5.45 7.64 -1.26 -4.72 113.62 129.23 1aa6 n SER 109 Ca -0.20 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.16 1aa6 n SER 109 Cb 0.55 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1aa6 n SER 109 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1aa6 n ARG 110 N 0.58 2.36 0.00 1.43 5.12 -1.26 -2.10 116.66 122.79 1aa6 n ARG 110 Ca 0.19 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 56.21 1aa6 n ARG 110 Cb 0.82 0.00 0.50 0.00 -1.16 0.00 0.00 32.46 32.62 1aa6 n ARG 110 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1aa6 n GLY 111 N 5.00 -0.81 0.06 -0.13 0.00 -1.26 -3.94 105.19 104.11 1aa6 n GLY 111 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 1aa6 n GLY 111 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1aa6 h THR 112 N 0.00 1.07 0.00 2.61 2.02 -1.92 -3.37 112.91 113.31 1aa6 h THR 112 Ca 0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1aa6 h THR 112 Cb 0.12 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1aa6 h THR 112 CO 0.00 0.09 0.00 0.61 0.37 0.00 0.00 175.52 176.59 1aa6 n GLY 113 N -0.71 2.93 0.12 2.16 0.00 -1.25 -4.70 105.19 103.73 1aa6 n GLY 113 Ca -0.08 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 43.82 1aa6 n GLY 113 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1aa6 h ASN 114 N 0.00 0.28 -0.77 1.61 2.35 -1.51 -3.17 115.58 114.37 1aa6 h ASN 114 Ca 0.00 -0.24 0.17 0.00 -0.55 0.00 0.00 56.30 55.68 1aa6 h ASN 114 Cb 0.00 -0.08 -0.11 0.00 0.05 0.00 0.00 38.32 38.18 1aa6 h ASN 114 CO 0.00 0.45 0.21 -0.33 -1.65 0.00 0.00 177.43 176.11 1aa6 h GLU 115 N 0.10 0.28 0.00 0.81 3.07 -1.89 0.19 114.58 117.14 1aa6 h GLU 115 Ca 0.06 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.89 1aa6 h GLU 115 Cb 0.28 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1aa6 h GLU 115 CO 0.00 0.18 -0.03 1.79 -1.40 0.00 0.00 179.01 179.56 1aa6 h THR 116 N 0.29 0.07 -0.02 1.13 1.35 -1.83 -2.04 112.91 111.85 1aa6 h THR 116 Ca 0.44 -0.61 -0.19 0.00 -0.55 0.00 0.00 66.41 65.51 1aa6 h THR 116 Cb 0.77 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.75 1aa6 h THR 116 CO -0.52 0.02 -0.82 0.78 -0.25 0.00 0.00 175.52 174.74 1aa6 h ASN 117 N 0.00 0.30 -0.19 5.36 2.35 -0.66 -1.95 115.58 120.79 1aa6 h ASN 117 Ca -0.00 -0.22 -0.14 0.00 -0.55 0.00 0.00 56.30 55.39 1aa6 h ASN 117 Cb 0.56 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1aa6 h ASN 117 CO 0.00 0.99 -0.38 0.22 -1.65 0.00 0.00 177.43 176.61 1aa6 h TYR 118 N 0.14 0.86 -0.23 1.19 3.20 -1.01 -2.32 116.97 118.80 1aa6 h TYR 118 Ca -0.04 -0.25 -0.12 0.00 3.14 0.00 0.00 58.73 61.46 1aa6 h TYR 118 Cb 1.42 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 1aa6 h TYR 118 CO 0.03 0.99 -0.36 0.28 -1.64 0.00 0.00 178.16 177.47 1aa6 h VAL 119 N 0.60 1.29 -0.16 1.81 2.07 -1.21 -1.25 116.25 119.41 1aa6 h VAL 119 Ca 0.05 -1.48 -0.15 0.00 0.82 0.00 0.00 66.70 65.94 1aa6 h VAL 119 Cb 0.92 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1aa6 h VAL 119 CO 0.08 0.47 -0.47 -0.03 0.02 0.00 0.00 177.57 177.64 1aa6 h MET 120 N 0.43 0.60 -0.14 1.57 1.85 -1.24 -0.59 114.93 117.40 1aa6 h MET 120 Ca 0.05 -0.43 -0.09 0.00 -0.61 0.00 0.00 59.70 58.61 1aa6 h MET 120 Cb 0.83 0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.92 1aa6 h MET 120 CO 0.07 1.05 -0.33 -0.56 -0.40 0.00 0.00 176.91 176.74 1aa6 h GLN 121 N 0.25 0.27 -0.32 0.39 -0.00 -1.38 0.54 115.11 114.87 1aa6 h GLN 121 Ca -0.01 -0.11 -0.07 0.00 -0.00 0.00 0.00 58.65 58.46 1aa6 h GLN 121 Cb 1.09 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 28.55 1aa6 h GLN 121 CO 0.10 0.57 -0.08 -0.22 -0.00 0.00 0.00 178.83 179.21 1aa6 h LYS 122 N 0.23 0.62 -0.34 0.06 3.64 -1.18 -1.23 116.57 118.38 1aa6 h LYS 122 Ca 0.03 -0.24 0.03 0.00 -1.27 0.00 0.00 60.65 59.21 1aa6 h LYS 122 Cb 0.70 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 1aa6 h LYS 122 CO 0.05 0.80 0.13 0.35 -2.27 0.00 0.00 179.45 178.51 1aa6 h PHE 123 N 0.40 0.24 -0.31 1.91 3.57 -0.61 0.24 116.94 122.38 1aa6 h PHE 123 Ca 0.08 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1aa6 h PHE 123 Cb 0.57 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1aa6 h PHE 123 CO 0.05 0.11 0.14 0.00 -2.23 0.00 0.00 178.31 176.38 1aa6 h ALA 124 N 1.20 0.40 0.14 2.41 0.00 -0.79 -1.67 119.26 120.95 1aa6 h ALA 124 Ca 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1aa6 h ALA 124 Cb 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1aa6 h ALA 124 CO -0.14 -0.02 -0.07 0.00 0.00 0.00 0.00 179.25 179.02 1aa6 h ARG 125 N 0.35 -0.18 0.00 0.00 3.08 -0.92 0.40 114.38 117.12 1aa6 h ARG 125 Ca 0.10 0.01 -0.15 0.00 0.07 0.00 0.00 59.98 60.01 1aa6 h ARG 125 Cb 0.15 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1aa6 h ARG 125 CO -0.01 -0.04 -0.72 0.00 -1.07 0.00 0.00 179.97 178.12 1aa6 h ALA 126 N -0.95 0.75 -0.29 0.04 0.00 -0.67 -3.06 119.26 115.07 1aa6 h ALA 126 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1aa6 h ALA 126 Cb 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1aa6 h ALA 126 CO 0.03 0.90 0.00 0.28 0.00 0.00 0.00 179.25 180.46 1aa6 n VAL 127 N -3.59 0.00 -0.04 0.00 0.31 -0.89 -4.65 118.33 109.47 1aa6 n VAL 127 Ca -0.01 0.45 -0.11 0.00 -0.01 0.00 0.00 64.34 64.67 1aa6 n VAL 127 Cb 0.72 -1.43 -0.05 0.00 -0.91 0.00 0.00 33.84 32.18 1aa6 n VAL 127 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1aa6 h ILE 128 N 0.00 1.17 0.00 2.52 1.08 -1.33 -3.48 117.51 117.47 1aa6 h ILE 128 Ca 0.00 -0.53 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 1aa6 h ILE 128 Cb 0.00 1.21 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 1aa6 h ILE 128 CO 0.00 0.16 0.00 0.61 -0.69 0.00 0.00 178.15 178.23 1aa6 n GLY 129 N -0.64 0.99 3.15 5.37 0.00 0.10 -4.69 105.19 109.47 1aa6 n GLY 129 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 1aa6 n GLY 129 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aa6 s THR 130 N -1.97 0.66 -2.03 2.61 2.01 0.90 -4.71 115.64 113.12 1aa6 s THR 130 Ca 0.00 -1.82 0.21 0.00 0.31 0.00 0.00 61.69 60.39 1aa6 s THR 130 Cb 0.00 -1.54 0.58 0.00 0.01 0.00 0.00 72.50 71.55 1aa6 s THR 130 CO 0.00 -0.81 1.49 0.59 -0.69 0.00 0.00 174.62 175.19 1aa6 n ASN 131 N 0.16 3.56 -3.37 3.53 3.02 -1.26 -2.51 115.26 118.39 1aa6 n ASN 131 Ca -0.14 -2.00 -0.31 0.00 -0.03 0.00 0.00 54.58 52.11 1aa6 n ASN 131 Cb 0.60 -0.43 -0.03 0.00 -0.61 0.00 0.00 39.78 39.31 1aa6 n ASN 131 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1aa6 n ASN 132 N 1.45 4.15 -4.27 6.41 3.02 -1.26 -3.56 115.26 121.20 1aa6 n ASN 132 Ca 0.22 -2.48 -0.26 0.00 -0.03 0.00 0.00 54.58 52.03 1aa6 n ASN 132 Cb 0.56 -1.15 -0.14 0.00 -0.61 0.00 0.00 39.78 38.45 1aa6 n ASN 132 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1aa6 s VAL 133 N 3.92 1.75 -0.10 2.41 1.01 -1.26 -1.84 120.40 126.29 1aa6 s VAL 133 Ca 0.47 -1.25 -0.31 0.00 0.00 0.00 0.00 61.98 60.89 1aa6 s VAL 133 Cb 0.12 -1.52 0.12 0.00 0.00 0.00 0.00 36.38 35.10 1aa6 s VAL 133 CO 0.02 0.22 1.03 -0.62 0.00 0.00 0.00 175.10 175.75 1aa6 s ASP 134 N -1.22 -0.27 -0.05 3.32 2.15 -1.17 -0.82 116.67 118.61 1aa6 s ASP 134 Ca 0.08 0.05 0.03 0.00 0.43 0.00 0.00 52.55 53.13 1aa6 s ASP 134 Cb -0.09 0.28 -0.03 0.00 -0.30 0.00 0.00 42.92 42.78 1aa6 s ASP 134 CO 0.02 -0.43 -0.11 0.00 -0.17 0.00 0.00 175.17 174.48 1aa6 h ALA 137 N 0.02 3.12 0.00 0.00 0.00 -1.96 -2.08 119.26 118.36 1aa6 h ALA 137 Ca -0.00 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1aa6 h ALA 137 Cb 0.81 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1aa6 h ALA 137 CO 0.00 -1.67 0.18 -2.13 0.00 0.00 0.00 179.25 175.63 1aa6 n ARG 138 N -4.39 1.51 -3.47 0.00 3.00 -1.21 -4.51 116.66 107.60 1aa6 n ARG 138 Ca 0.37 -0.79 -0.28 0.00 -0.00 0.00 0.00 57.85 57.15 1aa6 n ARG 138 Cb 1.56 -1.92 -0.11 0.00 0.00 0.00 0.00 32.46 31.99 1aa6 n ARG 138 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1aa6 s VAL 139 N 1.74 0.59 -0.04 5.15 1.01 -0.79 -3.80 120.40 124.28 1aa6 s VAL 139 Ca 0.47 -2.61 -0.01 0.00 0.00 0.00 0.00 61.98 59.83 1aa6 s VAL 139 Cb 0.21 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1aa6 s VAL 139 CO -0.00 -1.15 0.86 1.41 0.00 0.00 0.00 175.10 176.21 1aa6 n HIS 141 N 3.04 0.06 0.07 5.22 8.25 -1.26 -4.88 115.22 125.71 1aa6 n HIS 141 Ca 0.24 -0.29 -0.12 0.00 -0.26 0.00 0.00 57.72 57.29 1aa6 n HIS 141 Cb 0.44 -0.57 -0.05 0.00 1.12 0.00 0.00 29.99 30.93 1aa6 n HIS 141 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1aa6 h GLY 142 N 7.19 -0.39 0.91 -1.41 0.00 -1.89 -1.36 103.07 106.14 1aa6 h GLY 142 Ca 0.03 0.29 0.14 0.00 0.00 0.00 0.00 47.33 47.79 1aa6 h GLY 142 CO 0.67 -0.21 0.41 -2.55 0.00 0.00 0.00 176.54 174.86 1aa6 h PRO 143 N -0.40 0.21 0.21 4.80 0.11 -1.88 -2.17 132.00 132.88 1aa6 h PRO 143 Ca 0.05 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1aa6 h PRO 143 Cb 0.47 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1aa6 h PRO 143 CO -0.20 0.14 -0.22 0.77 -0.21 0.00 0.00 178.00 178.28 1aa6 h SER 144 N 0.21 -0.58 -0.25 -2.05 0.02 -1.61 -2.11 113.55 107.19 1aa6 h SER 144 Ca 0.29 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.33 1aa6 h SER 144 Cb 0.83 0.20 -0.07 0.00 0.14 0.00 0.00 62.40 63.50 1aa6 h SER 144 CO -0.05 -0.32 -0.55 0.58 -1.14 0.00 0.00 176.83 175.35 1aa6 h VAL 145 N -0.46 0.00 -0.04 2.27 2.07 -1.13 1.02 116.25 119.98 1aa6 h VAL 145 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1aa6 h VAL 145 Cb 0.43 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1aa6 h VAL 145 CO -0.06 0.00 -0.30 0.00 0.02 0.00 0.00 177.57 177.23 1aa6 h ALA 146 N -0.20 0.09 0.06 1.67 0.00 -1.70 0.47 119.26 119.67 1aa6 h ALA 146 Ca 0.05 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1aa6 h ALA 146 Cb 0.65 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1aa6 h ALA 146 CO -0.50 0.15 -0.43 0.78 0.00 0.00 0.00 179.25 179.25 1aa6 h GLY 147 N -0.28 -1.18 1.40 0.00 0.00 -1.21 0.91 103.07 102.71 1aa6 h GLY 147 Ca -0.03 0.63 0.03 0.00 0.00 0.00 0.00 47.33 47.97 1aa6 h GLY 147 CO 0.06 -0.30 0.35 -2.00 0.00 0.00 0.00 176.54 174.65 1aa6 h LEU 148 N -0.59 0.53 -1.46 3.11 6.46 0.10 -1.69 115.31 121.77 1aa6 h LEU 148 Ca -0.00 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.70 1aa6 h LEU 148 Cb 0.60 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 1aa6 h LEU 148 CO -0.25 0.37 -0.21 -0.74 -0.62 0.00 0.00 178.44 176.99 1aa6 h HIS 149 N 0.61 0.10 0.00 1.25 2.76 0.30 -0.49 115.15 119.67 1aa6 h HIS 149 Ca 0.21 -0.01 -0.20 0.00 -2.20 0.00 0.00 60.37 58.16 1aa6 h HIS 149 Cb 0.07 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 1aa6 h HIS 149 CO -0.00 0.30 -0.95 1.96 -1.30 0.00 0.00 177.93 177.94 1aa6 h GLN 150 N 0.09 0.00 0.19 5.26 1.08 0.16 0.25 115.11 122.13 1aa6 h GLN 150 Ca 0.02 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.90 1aa6 h GLN 150 Cb 0.42 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.88 1aa6 h GLN 150 CO 0.03 0.95 -1.36 0.77 -0.95 0.00 0.00 178.83 178.27 1aa6 h SER 151 N 0.00 0.80 0.00 1.46 0.02 -1.23 -3.38 113.55 111.22 1aa6 h SER 151 Ca -0.01 -0.81 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 1aa6 h SER 151 Cb 1.71 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 64.00 1aa6 h SER 151 CO 0.12 1.62 -0.01 0.55 -1.14 0.00 0.00 176.83 177.98 1aa6 n VAL 152 N -3.72 0.00 -0.92 2.27 3.14 -0.23 -0.17 118.33 118.69 1aa6 n VAL 152 Ca -0.14 -0.27 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 1aa6 n VAL 152 Cb 1.05 0.99 0.00 0.00 -1.06 0.00 0.00 33.84 34.82 1aa6 n VAL 152 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1aa6 n GLY 153 N 0.56 0.66 3.47 7.55 0.00 0.86 -4.08 105.19 114.20 1aa6 n GLY 153 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1aa6 n GLY 153 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1aa6 s ASN 154 N -2.28 -0.73 0.00 1.61 3.84 -1.26 -4.79 114.94 111.32 1aa6 s ASN 154 Ca 0.00 1.27 0.17 0.00 0.21 0.00 0.00 52.86 54.50 1aa6 s ASN 154 Cb 0.00 1.51 0.74 0.00 -0.55 0.00 0.00 41.25 42.95 1aa6 s ASN 154 CO 0.00 -0.22 1.51 0.61 -2.79 0.00 0.00 177.10 176.21 1aa6 n GLY 155 N 4.91 -0.24 3.90 1.21 0.00 -1.26 -4.41 105.19 109.31 1aa6 n GLY 155 Ca -0.15 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 1aa6 n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aa6 s ALA 156 N -1.85 2.91 0.02 4.61 0.00 -1.26 -4.65 121.76 121.55 1aa6 s ALA 156 Ca 0.26 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 51.28 1aa6 s ALA 156 Cb 0.13 -2.85 -0.07 0.00 0.00 0.00 0.00 23.12 20.33 1aa6 s ALA 156 CO 0.21 -1.34 1.69 -1.64 0.00 0.00 0.00 175.76 174.67 1aa6 s MET 157 N -5.37 4.19 0.51 0.00 -1.94 -1.26 -4.75 119.30 110.66 1aa6 s MET 157 Ca 0.60 2.31 0.28 0.00 -1.71 0.00 0.00 55.69 57.17 1aa6 s MET 157 Cb -0.11 -3.79 1.29 0.00 2.01 0.00 0.00 34.83 34.23 1aa6 s MET 157 CO 0.48 -0.79 1.98 0.66 -0.01 0.00 0.00 175.02 177.34 1aa6 h SER 158 N 8.98 0.00 -3.87 3.03 4.64 -1.73 -3.45 113.55 121.15 1aa6 h SER 158 Ca -0.42 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.56 1aa6 h SER 158 Cb 1.20 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.14 1aa6 h SER 158 CO 0.94 0.13 -0.72 0.20 -0.87 0.00 0.00 176.83 176.52 1aa6 s ASN 159 N -6.02 1.89 0.53 4.97 -0.87 -1.26 0.32 114.94 114.50 1aa6 s ASN 159 Ca -0.01 -1.02 -0.20 0.00 -1.57 0.00 0.00 52.86 50.07 1aa6 s ASN 159 Cb 0.11 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.25 41.26 1aa6 s ASN 159 CO 0.59 -0.31 1.13 0.00 -2.57 0.00 0.00 177.10 175.93 1aa6 s ALA 160 N -3.29 2.72 0.23 0.60 0.00 -1.02 -4.87 121.76 116.13 1aa6 s ALA 160 Ca 0.17 0.82 -0.08 0.00 0.00 0.00 0.00 51.96 52.87 1aa6 s ALA 160 Cb 0.02 -3.36 0.21 0.00 0.00 0.00 0.00 23.12 20.00 1aa6 s ALA 160 CO 0.01 -0.73 1.90 0.82 0.00 0.00 0.00 175.76 177.75 1aa6 h ILE 161 N 1.26 1.20 0.00 0.00 2.04 -1.92 -0.98 117.51 119.12 1aa6 h ILE 161 Ca -0.50 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1aa6 h ILE 161 Cb 1.26 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1aa6 h ILE 161 CO 0.57 0.21 0.00 0.59 0.00 0.00 0.00 178.15 179.52 1aa6 n ASN 162 N -4.50 0.17 0.10 1.72 4.13 -1.26 -1.67 115.26 113.94 1aa6 n ASN 162 Ca 0.09 0.55 0.12 0.00 1.68 0.00 0.00 54.58 57.03 1aa6 n ASN 162 Cb 0.03 -0.58 0.26 0.00 -1.54 0.00 0.00 39.78 37.95 1aa6 n ASN 162 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1aa6 h GLU 163 N 0.00 0.00 -0.11 3.52 5.08 -1.54 -3.34 114.58 118.20 1aa6 h GLU 163 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1aa6 h GLU 163 Cb 0.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1aa6 h GLU 163 CO 0.00 0.00 -0.03 0.82 -1.00 0.00 0.00 179.01 178.80 1aa6 h ILE 164 N 0.00 0.89 -1.73 3.13 2.04 -1.36 -3.03 117.51 117.45 1aa6 h ILE 164 Ca 0.00 0.00 0.51 0.00 1.00 0.00 0.00 64.86 66.37 1aa6 h ILE 164 Cb 0.79 0.89 -0.08 0.00 -0.74 0.00 0.00 36.82 37.68 1aa6 h ILE 164 CO 0.00 0.00 1.24 0.44 0.00 0.00 0.00 178.15 179.83 1aa6 h ASP 165 N -0.00 0.03 -0.38 1.72 5.19 -1.68 0.28 116.42 121.57 1aa6 h ASP 165 Ca 0.05 0.02 -0.14 0.00 -0.62 0.00 0.00 57.03 56.34 1aa6 h ASP 165 Cb 0.08 0.02 -0.08 0.00 0.18 0.00 0.00 39.33 39.52 1aa6 h ASP 165 CO -0.11 -0.02 0.02 0.59 -3.12 0.00 0.00 179.24 176.60 1aa6 n ASN 166 N -4.08 3.16 -4.83 6.45 3.02 -1.14 -3.96 115.26 113.87 1aa6 n ASN 166 Ca 0.40 -3.47 -0.31 0.00 -0.03 0.00 0.00 54.58 51.16 1aa6 n ASN 166 Cb 1.79 -0.62 0.02 0.00 -0.61 0.00 0.00 39.78 40.36 1aa6 n ASN 166 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1aa6 s THR 167 N -3.09 4.22 -0.17 3.41 -4.23 0.99 -4.84 115.64 111.92 1aa6 s THR 167 Ca 0.45 0.81 0.20 0.00 -1.18 0.00 0.00 61.69 61.97 1aa6 s THR 167 Cb 0.39 -3.55 -0.09 0.00 1.34 0.00 0.00 72.50 70.59 1aa6 s THR 167 CO 0.04 -0.86 0.87 0.47 -0.54 0.00 0.00 174.62 174.61 1aa6 n ASP 168 N -2.68 0.76 -3.68 3.99 8.00 -0.54 -4.42 116.55 117.98 1aa6 n ASP 168 Ca 0.07 0.31 -0.09 0.00 0.71 0.00 0.00 54.79 55.79 1aa6 n ASP 168 Cb 0.54 0.47 -0.10 0.00 -0.02 0.00 0.00 41.12 42.00 1aa6 n ASP 168 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1aa6 s LEU 169 N -5.47 -0.39 -0.26 0.64 0.20 -1.06 -0.72 118.68 111.61 1aa6 s LEU 169 Ca -0.02 0.98 -0.11 0.00 0.69 0.00 0.00 54.13 55.67 1aa6 s LEU 169 Cb 0.09 1.42 -0.05 0.00 -0.43 0.00 0.00 46.19 47.23 1aa6 s LEU 169 CO 0.81 -0.21 0.17 -0.69 -0.29 0.00 0.00 176.35 176.14 1aa6 s VAL 170 N 1.94 5.27 -0.59 1.68 1.01 -0.26 -1.51 120.40 127.94 1aa6 s VAL 170 Ca -0.06 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 1aa6 s VAL 170 Cb -0.10 -3.49 0.15 0.00 0.00 0.00 0.00 36.38 32.94 1aa6 s VAL 170 CO -0.13 0.29 0.48 0.12 0.00 0.00 0.00 175.10 175.85 1aa6 s PHE 171 N 1.50 3.49 -0.15 5.22 2.19 0.69 -1.15 117.98 129.78 1aa6 s PHE 171 Ca 0.07 -2.06 -0.23 0.00 0.33 0.00 0.00 56.93 55.03 1aa6 s PHE 171 Cb -0.15 -3.52 -0.02 0.00 -1.31 0.00 0.00 43.02 38.01 1aa6 s PHE 171 CO 0.08 -0.96 0.73 0.08 1.83 0.00 0.00 175.22 176.99 1aa6 s VAL 172 N 0.77 4.97 -0.06 3.12 1.01 -0.29 -1.59 120.40 128.33 1aa6 s VAL 172 Ca 0.11 1.45 -0.01 0.00 0.00 0.00 0.00 61.98 63.52 1aa6 s VAL 172 Cb -0.21 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.14 1aa6 s VAL 172 CO -0.03 0.12 0.02 0.12 0.00 0.00 0.00 175.10 175.32 1aa6 s PHE 173 N 1.69 0.48 -1.60 5.22 2.19 -0.49 -0.57 117.98 124.89 1aa6 s PHE 173 Ca 0.35 -0.04 -0.15 0.00 0.33 0.00 0.00 56.93 57.42 1aa6 s PHE 173 Cb -0.17 -0.68 0.11 0.00 -1.31 0.00 0.00 43.02 40.98 1aa6 s PHE 173 CO 0.13 -0.27 0.89 0.41 1.83 0.00 0.00 175.22 178.21 1aa6 n GLY 174 N 5.08 -0.47 2.94 13.12 0.00 -1.00 -3.54 105.19 121.33 1aa6 n GLY 174 Ca -0.08 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 1aa6 n GLY 174 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1aa6 s TYR 175 N -3.31 -0.22 -0.58 1.61 5.04 -1.26 -2.20 117.35 116.43 1aa6 s TYR 175 Ca 0.67 0.60 0.06 0.00 -2.44 0.00 0.00 57.07 55.97 1aa6 s TYR 175 Cb -0.35 -0.08 0.25 0.00 0.35 0.00 0.00 41.96 42.13 1aa6 s TYR 175 CO 0.87 -0.21 0.71 -1.71 -1.34 0.00 0.00 175.55 173.87 1aa6 n ASN 176 N 4.44 2.97 -0.26 4.32 5.15 -1.26 -4.97 115.26 125.66 1aa6 n ASN 176 Ca -0.22 -3.28 0.27 0.00 -0.60 0.00 0.00 54.58 50.74 1aa6 n ASN 176 Cb 0.52 -0.66 0.64 0.00 -0.53 0.00 0.00 39.78 39.74 1aa6 n ASN 176 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1aa6 h PRO 177 N 4.08 0.17 -0.95 1.20 0.13 -1.95 -2.22 132.00 132.47 1aa6 h PRO 177 Ca 0.17 -0.01 0.12 0.00 -0.87 0.00 0.00 66.00 65.41 1aa6 h PRO 177 Cb 0.71 -0.04 -0.08 0.00 0.13 0.00 0.00 31.00 31.72 1aa6 h PRO 177 CO 0.75 0.11 0.60 0.00 -0.23 0.00 0.00 178.00 179.24 1aa6 h ALA 178 N 1.55 1.64 0.00 -0.56 0.00 -1.90 0.53 119.26 120.52 1aa6 h ALA 178 Ca 0.51 0.01 -0.34 0.00 0.00 0.00 0.00 54.91 55.10 1aa6 h ALA 178 Cb 1.69 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.23 1aa6 h ALA 178 CO -0.11 0.13 -2.18 -0.25 0.00 0.00 0.00 179.25 176.83 1aa6 n ASP 179 N -4.58 0.25 0.08 0.00 9.92 -0.93 -4.29 116.55 117.00 1aa6 n ASP 179 Ca 0.18 0.12 -0.23 0.00 -0.53 0.00 0.00 54.79 54.33 1aa6 n ASP 179 Cb 0.38 0.71 -0.15 0.00 -0.64 0.00 0.00 41.12 41.42 1aa6 n ASP 179 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1aa6 h SER 180 N 0.00 0.61 -1.43 -2.24 0.02 -0.83 -3.32 113.55 106.36 1aa6 h SER 180 Ca -0.46 -0.92 -0.43 0.00 -0.84 0.00 0.00 61.79 59.14 1aa6 h SER 180 Cb 2.15 -0.20 -0.30 0.00 0.14 0.00 0.00 62.40 64.20 1aa6 h SER 180 CO 0.04 1.68 -0.85 1.41 -1.14 0.00 0.00 176.83 177.97 1aa6 n HIS 181 N -3.77 -1.65 -0.32 3.45 8.25 0.18 -4.86 115.22 116.50 1aa6 n HIS 181 Ca -0.21 -2.79 0.13 0.00 -0.26 0.00 0.00 57.72 54.59 1aa6 n HIS 181 Cb 1.01 0.48 0.27 0.00 1.12 0.00 0.00 29.99 32.87 1aa6 n HIS 181 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1aa6 h PRO 182 N 4.41 0.05 0.00 -0.41 0.11 -1.66 0.17 132.00 134.67 1aa6 h PRO 182 Ca 0.05 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.06 1aa6 h PRO 182 Cb 0.95 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1aa6 h PRO 182 CO 0.36 0.03 -0.44 0.82 -0.21 0.00 0.00 178.00 178.56 1aa6 h ILE 183 N 0.05 1.30 -0.00 4.15 5.03 -1.94 -1.55 117.51 124.55 1aa6 h ILE 183 Ca 0.56 -1.51 -0.20 0.00 -0.12 0.00 0.00 64.86 63.59 1aa6 h ILE 183 Cb 1.14 1.82 -0.01 0.00 -3.03 0.00 0.00 36.82 36.74 1aa6 h ILE 183 CO -0.84 0.43 -0.86 0.58 -0.68 0.00 0.00 178.15 176.78 1aa6 h VAL 184 N 0.00 1.47 -0.41 1.67 2.07 -1.09 -2.76 116.25 117.20 1aa6 h VAL 184 Ca -0.00 -2.54 -0.05 0.00 0.82 0.00 0.00 66.70 64.92 1aa6 h VAL 184 Cb 0.78 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 1aa6 h VAL 184 CO 0.06 0.74 0.04 0.00 0.02 0.00 0.00 177.57 178.43 1aa6 h ALA 185 N 0.97 1.30 -0.82 1.67 0.00 -0.41 -1.94 119.26 120.03 1aa6 h ALA 185 Ca -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1aa6 h ALA 185 Cb 1.48 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1aa6 h ALA 185 CO 0.13 0.48 0.45 -0.91 0.00 0.00 0.00 179.25 179.41 1aa6 h ASN 186 N 0.62 1.02 -0.08 0.00 2.35 -1.03 0.83 115.58 119.28 1aa6 h ASN 186 Ca 0.13 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 1aa6 h ASN 186 Cb 0.33 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1aa6 h ASN 186 CO 0.01 0.82 -0.10 0.45 -1.65 0.00 0.00 177.43 176.95 1aa6 h HIS 187 N 1.14 0.40 -0.05 1.19 3.86 -1.15 0.29 115.15 120.82 1aa6 h HIS 187 Ca 0.29 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.41 1aa6 h HIS 187 Cb 0.02 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1aa6 h HIS 187 CO 0.01 0.48 -0.14 0.28 0.86 0.00 0.00 177.93 179.42 1aa6 h VAL 188 N 0.36 1.45 -1.01 2.45 2.07 -0.52 -1.11 116.25 119.93 1aa6 h VAL 188 Ca 0.07 -1.53 0.04 0.00 0.82 0.00 0.00 66.70 66.11 1aa6 h VAL 188 Cb 0.41 2.33 -0.06 0.00 -1.52 0.00 0.00 31.29 32.45 1aa6 h VAL 188 CO 0.02 0.42 0.66 0.40 0.02 0.00 0.00 177.57 179.09 1aa6 h ILE 189 N -0.35 1.16 -0.03 4.57 2.04 -0.62 -0.89 117.51 123.38 1aa6 h ILE 189 Ca -0.00 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.34 1aa6 h ILE 189 Cb 0.75 -0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1aa6 h ILE 189 CO 0.03 0.23 -0.37 -1.13 0.00 0.00 0.00 178.15 176.91 1aa6 h ASN 190 N 1.25 0.06 -0.16 1.72 -0.00 -0.33 0.12 115.58 118.25 1aa6 h ASN 190 Ca 0.41 -0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.68 1aa6 h ASN 190 Cb 0.04 -0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 38.33 1aa6 h ASN 190 CO -0.14 0.43 0.08 0.00 -0.00 0.00 0.00 177.43 177.80 1aa6 h ALA 191 N 1.58 0.20 -0.82 1.57 0.00 0.07 0.35 119.26 122.21 1aa6 h ALA 191 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1aa6 h ALA 191 Cb 0.68 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1aa6 h ALA 191 CO 0.05 -0.24 0.44 -0.22 0.00 0.00 0.00 179.25 179.28 1aa6 h LYS 192 N 0.13 1.14 -0.63 0.00 1.63 -0.83 0.14 116.57 118.14 1aa6 h LYS 192 Ca 0.05 -0.13 -0.06 0.00 -0.85 0.00 0.00 60.65 59.66 1aa6 h LYS 192 Cb 0.11 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.49 1aa6 h LYS 192 CO -0.01 0.84 0.16 -0.09 -3.45 0.00 0.00 179.45 176.90 1aa6 h ARG 193 N 1.14 0.98 0.00 1.90 2.43 0.08 0.81 114.38 121.73 1aa6 h ARG 193 Ca 0.29 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1aa6 h ARG 193 Cb 0.04 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1aa6 h ARG 193 CO -0.05 0.87 0.00 0.09 -1.51 0.00 0.00 179.97 179.38 1aa6 n ASN 194 N -4.25 0.00 0.00 -3.80 3.02 0.11 -4.87 115.26 105.47 1aa6 n ASN 194 Ca 0.05 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 1aa6 n ASN 194 Cb 0.24 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 1aa6 n ASN 194 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aa6 n GLY 195 N 0.83 1.40 3.83 7.41 0.00 0.27 -5.07 105.19 113.86 1aa6 n GLY 195 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1aa6 n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aa6 s ALA 196 N -2.00 3.28 0.56 4.61 0.00 -0.03 -4.96 121.76 123.20 1aa6 s ALA 196 Ca 0.00 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.03 1aa6 s ALA 196 Cb 0.00 -2.89 -0.05 0.00 0.00 0.00 0.00 23.12 20.17 1aa6 s ALA 196 CO 0.00 0.28 0.97 0.15 0.00 0.00 0.00 175.76 177.15 1aa6 s LYS 197 N -2.69 3.70 -0.04 0.00 1.02 0.10 -4.42 119.74 117.41 1aa6 s LYS 197 Ca 0.53 0.71 -0.02 0.00 0.02 0.00 0.00 55.97 57.21 1aa6 s LYS 197 Cb -0.12 -2.16 0.02 0.00 -0.52 0.00 0.00 37.83 35.05 1aa6 s LYS 197 CO 0.18 -0.40 0.08 0.42 -0.92 0.00 0.00 175.35 174.72 1aa6 s ILE 198 N -2.91 -0.02 -0.04 2.17 1.01 -1.26 -1.10 121.20 119.05 1aa6 s ILE 198 Ca 0.55 0.08 0.03 0.00 0.00 0.00 0.00 60.65 61.31 1aa6 s ILE 198 Cb -0.11 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.23 1aa6 s ILE 198 CO 0.45 0.03 -0.12 -0.63 0.00 0.00 0.00 174.94 174.68 1aa6 s ILE 199 N 0.50 1.03 -0.17 2.92 1.01 -0.30 0.90 121.20 127.09 1aa6 s ILE 199 Ca -0.04 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1aa6 s ILE 199 Cb -0.05 -0.91 0.03 0.00 0.01 0.00 0.00 42.46 41.54 1aa6 s ILE 199 CO -0.02 0.31 -0.13 -0.69 0.00 0.00 0.00 174.94 174.41 1aa6 s VAL 200 N 0.27 1.62 -0.51 2.92 1.01 -0.16 -1.14 120.40 124.41 1aa6 s VAL 200 Ca -0.06 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 1aa6 s VAL 200 Cb -0.11 -1.59 0.12 0.00 0.00 0.00 0.00 36.38 34.81 1aa6 s VAL 200 CO 0.02 0.35 0.45 0.00 0.00 0.00 0.00 175.10 175.92 1aa6 s ASP 202 N 3.26 -0.75 0.18 0.00 -1.08 -0.97 -2.38 116.67 114.91 1aa6 s ASP 202 Ca 0.04 1.42 -0.14 0.00 -0.52 0.00 0.00 52.55 53.36 1aa6 s ASP 202 Cb -0.28 1.43 0.12 0.00 -1.46 0.00 0.00 42.92 42.73 1aa6 s ASP 202 CO 0.02 -0.24 1.78 -0.65 0.52 0.00 0.00 175.17 176.60 1aa6 h PRO 203 N 5.22 0.45 -7.16 4.34 0.11 -1.83 -3.30 132.00 129.83 1aa6 h PRO 203 Ca -0.29 -0.03 -0.50 0.00 0.11 0.00 0.00 66.00 65.29 1aa6 h PRO 203 Cb 1.17 -0.10 0.04 0.00 0.11 0.00 0.00 31.00 32.22 1aa6 h PRO 203 CO 0.07 0.30 0.29 1.03 -0.21 0.00 0.00 178.00 179.48 1aa6 s ARG 204 N -6.14 3.63 -1.17 1.05 0.52 -1.26 -4.32 118.95 111.26 1aa6 s ARG 204 Ca -0.13 0.56 -0.09 0.00 -0.52 0.00 0.00 55.73 55.56 1aa6 s ARG 204 Cb 0.13 -2.21 0.23 0.00 0.52 0.00 0.00 34.95 33.63 1aa6 s ARG 204 CO 0.73 -0.38 1.49 1.63 0.02 0.00 0.00 175.30 178.80 1aa6 n LYS 205 N -2.35 3.79 -1.29 3.54 5.02 -0.05 -4.98 118.16 121.83 1aa6 n LYS 205 Ca 0.04 -4.11 -0.30 0.00 -2.02 0.00 0.00 58.31 51.92 1aa6 n LYS 205 Cb 0.54 -2.75 0.12 0.00 -0.02 0.00 0.00 35.03 32.92 1aa6 n LYS 205 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1aa6 s ILE 206 N -0.63 2.91 0.22 -0.18 -4.36 -1.26 -4.81 121.20 113.09 1aa6 s ILE 206 Ca 0.36 0.30 -0.11 0.00 -0.26 0.00 0.00 60.65 60.94 1aa6 s ILE 206 Cb 0.01 -2.84 0.23 0.00 1.25 0.00 0.00 42.46 41.11 1aa6 s ILE 206 CO 0.01 -0.39 1.64 -0.33 0.24 0.00 0.00 174.94 176.12 1aa6 h GLU 207 N -1.35 0.07 -0.90 0.37 4.39 -1.98 -1.38 114.58 113.80 1aa6 h GLU 207 Ca -0.48 -0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.33 1aa6 h GLU 207 Cb 1.27 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.83 1aa6 h GLU 207 CO 0.55 0.05 0.58 1.15 -1.16 0.00 0.00 179.01 180.17 1aa6 h THR 208 N 0.07 0.92 -0.86 1.13 2.02 -1.96 -1.67 112.91 112.57 1aa6 h THR 208 Ca 0.33 -0.29 0.19 0.00 0.77 0.00 0.00 66.41 67.42 1aa6 h THR 208 Cb 0.55 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 66.91 1aa6 h THR 208 CO -0.60 0.15 0.57 0.00 0.37 0.00 0.00 175.52 176.02 1aa6 h ALA 209 N 1.57 2.23 0.00 6.16 0.00 -1.60 -1.18 119.26 126.44 1aa6 h ALA 209 Ca 0.43 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1aa6 h ALA 209 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1aa6 h ALA 209 CO -0.19 -0.49 0.00 -2.13 0.00 0.00 0.00 179.25 176.44 1aa6 n ARG 210 N -4.48 0.18 0.00 0.00 3.00 -0.63 -1.84 116.66 112.88 1aa6 n ARG 210 Ca 0.18 0.43 0.05 0.00 -0.00 0.00 0.00 57.85 58.51 1aa6 n ARG 210 Cb 0.67 -1.86 -0.04 0.00 0.00 0.00 0.00 32.46 31.24 1aa6 n ARG 210 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 1aa6 n ILE 211 N -2.20 0.00 -2.15 5.15 -5.35 -0.48 -5.03 119.36 109.30 1aa6 n ILE 211 Ca 0.02 -0.30 -0.41 0.00 -0.27 0.00 0.00 62.75 61.78 1aa6 n ILE 211 Cb 0.21 1.06 -0.03 0.00 -1.74 0.00 0.00 39.64 39.14 1aa6 n ILE 211 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1aa6 s ALA 212 N -1.79 3.55 0.23 -1.28 0.00 -0.77 -4.83 121.76 116.88 1aa6 s ALA 212 Ca 0.06 1.18 0.36 0.00 0.00 0.00 0.00 51.96 53.57 1aa6 s ALA 212 Cb 0.09 -3.50 1.64 0.00 0.00 0.00 0.00 23.12 21.35 1aa6 s ALA 212 CO 0.38 -0.60 2.08 -0.44 0.00 0.00 0.00 175.76 177.17 1aa6 h ASP 213 N 5.16 0.00 -1.92 0.00 5.19 0.20 -3.41 116.42 121.64 1aa6 h ASP 213 Ca -0.45 0.00 0.09 0.00 -0.62 0.00 0.00 57.03 56.05 1aa6 h ASP 213 Cb 1.22 0.00 -0.21 0.00 0.18 0.00 0.00 39.33 40.52 1aa6 h ASP 213 CO 0.77 0.00 -0.05 -0.32 -3.12 0.00 0.00 179.24 176.51 1aa6 s MET 214 N -3.78 0.54 -0.37 3.56 1.75 -1.05 -5.01 119.30 114.93 1aa6 s MET 214 Ca -0.00 1.31 -0.10 0.00 -1.25 0.00 0.00 55.69 55.65 1aa6 s MET 214 Cb 0.10 0.74 0.03 0.00 2.84 0.00 0.00 34.83 38.55 1aa6 s MET 214 CO 0.50 -0.18 0.19 -1.58 -0.65 0.00 0.00 175.02 173.30 1aa6 s HIS 215 N 2.72 3.25 -1.06 4.11 2.46 -1.26 -0.99 115.29 124.52 1aa6 s HIS 215 Ca -0.06 -1.08 -0.14 0.00 0.47 0.00 0.00 55.06 54.26 1aa6 s HIS 215 Cb -0.10 -2.44 0.20 0.00 -0.13 0.00 0.00 32.58 30.10 1aa6 s HIS 215 CO -0.19 -0.68 1.17 0.42 -2.47 0.00 0.00 174.74 173.00 1aa6 s ILE 216 N 1.52 5.33 -1.16 0.89 1.01 0.34 -4.94 121.20 124.20 1aa6 s ILE 216 Ca 0.01 -2.60 -0.14 0.00 0.00 0.00 0.00 60.65 57.92 1aa6 s ILE 216 Cb -0.19 -4.73 -0.06 0.00 0.01 0.00 0.00 42.46 37.48 1aa6 s ILE 216 CO 0.06 -1.38 2.24 0.00 0.00 0.00 0.00 174.94 175.86 1aa6 n ALA 217 N 4.77 5.04 -0.59 9.38 0.00 -1.24 -2.30 120.51 135.56 1aa6 n ALA 217 Ca 0.27 -3.22 -0.29 0.00 0.00 0.00 0.00 53.44 50.20 1aa6 n ALA 217 Cb 0.44 -3.42 0.24 0.00 0.00 0.00 0.00 19.45 16.71 1aa6 n ALA 217 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1aa6 s LEU 218 N 1.04 1.11 0.18 0.00 2.34 -1.26 -4.72 118.68 117.37 1aa6 s LEU 218 Ca 0.53 1.59 -0.28 0.00 0.06 0.00 0.00 54.13 56.02 1aa6 s LEU 218 Cb 0.14 -3.56 -0.08 0.00 -0.56 0.00 0.00 46.19 42.13 1aa6 s LEU 218 CO -0.01 -4.04 0.87 -0.54 -1.06 0.00 0.00 176.35 171.58 1aa6 s LYS 219 N -4.51 4.71 -0.41 1.48 1.02 0.90 -3.92 119.74 119.01 1aa6 s LYS 219 Ca 0.68 1.33 -0.44 0.00 0.02 0.00 0.00 55.97 57.57 1aa6 s LYS 219 Cb -0.24 -3.29 -0.18 0.00 -0.52 0.00 0.00 37.83 33.60 1aa6 s LYS 219 CO 0.63 0.48 1.74 0.09 -0.92 0.00 0.00 175.35 177.38 1aa6 n ASN 220 N 1.78 1.65 0.00 2.83 3.02 -1.26 -0.39 115.26 122.89 1aa6 n ASN 220 Ca -0.03 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 1aa6 n ASN 220 Cb 0.48 -1.00 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 1aa6 n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aa6 n GLY 221 N 4.55 0.72 1.89 7.41 0.00 -1.26 -4.93 105.19 113.56 1aa6 n GLY 221 Ca 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 1aa6 n GLY 221 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1aa6 n SER 222 N 0.00 3.89 0.15 1.61 3.41 0.48 -4.73 113.62 118.42 1aa6 n SER 222 Ca 0.00 -3.15 -0.09 0.00 -0.26 0.00 0.00 58.87 55.37 1aa6 n SER 222 Cb 0.00 -0.74 -0.05 0.00 -0.26 0.00 0.00 64.21 63.16 1aa6 n SER 222 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1aa6 h ASN 223 N 1.37 -0.67 -0.16 4.04 2.35 -1.92 -2.49 115.58 118.11 1aa6 h ASN 223 Ca 0.38 0.05 0.04 0.00 -0.55 0.00 0.00 56.30 56.23 1aa6 h ASN 223 Cb 2.30 0.22 -0.01 0.00 0.05 0.00 0.00 38.32 40.88 1aa6 h ASN 223 CO 0.76 -0.33 0.11 0.40 -1.65 0.00 0.00 177.43 176.72 1aa6 h ILE 224 N -0.50 0.94 0.47 2.81 1.08 -1.94 -0.46 117.51 119.91 1aa6 h ILE 224 Ca -0.03 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.40 1aa6 h ILE 224 Cb 0.43 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 35.09 1aa6 h ILE 224 CO -0.02 0.01 -0.22 0.00 -0.69 0.00 0.00 178.15 177.22 1aa6 h ALA 225 N 1.92 -0.63 -0.49 1.87 0.00 -1.89 0.15 119.26 120.20 1aa6 h ALA 225 Ca 0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1aa6 h ALA 225 Cb 0.25 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1aa6 h ALA 225 CO -0.00 -0.78 0.11 1.25 0.00 0.00 0.00 179.25 179.83 1aa6 h LEU 226 N -0.77 0.75 -0.50 0.00 5.85 -1.13 -1.84 115.31 117.67 1aa6 h LEU 226 Ca -0.06 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.46 1aa6 h LEU 226 Cb 0.55 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1aa6 h LEU 226 CO 0.11 0.79 0.25 -0.07 -0.34 0.00 0.00 178.44 179.18 1aa6 h LEU 227 N 0.67 0.36 -0.92 2.25 3.38 -0.99 0.08 115.31 120.14 1aa6 h LEU 227 Ca 0.15 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1aa6 h LEU 227 Cb 0.34 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1aa6 h LEU 227 CO 0.00 0.25 0.12 0.78 0.09 0.00 0.00 178.44 179.68 1aa6 h ASN 228 N 0.49 0.86 -0.46 -0.43 2.35 -0.54 -1.40 115.58 116.44 1aa6 h ASN 228 Ca 0.22 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1aa6 h ASN 228 Cb 0.13 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1aa6 h ASN 228 CO -0.15 0.85 0.04 0.00 -1.65 0.00 0.00 177.43 176.52 1aa6 h ALA 229 N 1.26 0.62 -0.67 -0.83 0.00 -0.66 -0.08 119.26 118.89 1aa6 h ALA 229 Ca 0.18 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1aa6 h ALA 229 Cb 0.35 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1aa6 h ALA 229 CO 0.00 0.38 0.27 0.52 0.00 0.00 0.00 179.25 180.42 1aa6 h MET 230 N 0.64 1.01 -0.52 0.00 2.86 -0.72 -0.60 114.93 117.59 1aa6 h MET 230 Ca 0.14 -0.18 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1aa6 h MET 230 Cb 0.44 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1aa6 h MET 230 CO 0.02 0.84 0.08 0.78 1.06 0.00 0.00 176.91 179.68 1aa6 h GLY 231 N 0.95 0.90 0.72 8.32 0.00 -1.03 -1.45 103.07 111.48 1aa6 h GLY 231 Ca 0.22 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1aa6 h GLY 231 CO -0.02 0.52 -0.33 0.84 0.00 0.00 0.00 176.54 177.55 1aa6 h HIS 232 N 0.79 -0.88 -0.54 5.60 6.17 -0.41 -1.80 115.15 124.08 1aa6 h HIS 232 Ca 0.17 0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.25 1aa6 h HIS 232 Cb 0.37 0.33 -0.03 0.00 2.52 0.00 0.00 27.41 30.60 1aa6 h HIS 232 CO 0.02 -0.48 0.36 0.28 0.71 0.00 0.00 177.93 178.82 1aa6 h VAL 233 N -0.72 1.13 -0.73 5.26 2.07 -0.91 0.11 116.25 122.46 1aa6 h VAL 233 Ca -0.03 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.30 1aa6 h VAL 233 Cb 0.63 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 1aa6 h VAL 233 CO -0.02 0.13 0.42 0.40 0.02 0.00 0.00 177.57 178.52 1aa6 h ILE 234 N 0.73 0.98 0.00 4.57 2.04 -1.04 -0.59 117.51 124.21 1aa6 h ILE 234 Ca 0.20 -0.26 -0.13 0.00 1.00 0.00 0.00 64.86 65.67 1aa6 h ILE 234 Cb -0.08 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.15 1aa6 h ILE 234 CO -0.05 0.14 -0.50 0.40 0.00 0.00 0.00 178.15 178.14 1aa6 h ILE 235 N 0.77 1.47 -0.95 -0.67 2.04 -1.11 0.77 117.51 119.83 1aa6 h ILE 235 Ca 0.33 -2.06 0.12 0.00 1.00 0.00 0.00 64.86 64.24 1aa6 h ILE 235 Cb 0.20 2.68 -0.08 0.00 -0.74 0.00 0.00 36.82 38.87 1aa6 h ILE 235 CO -0.19 0.59 0.58 -0.08 0.00 0.00 0.00 178.15 179.06 1aa6 h GLU 236 N -0.24 0.88 -0.65 2.37 4.81 -0.56 -1.14 114.58 120.06 1aa6 h GLU 236 Ca -0.06 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1aa6 h GLU 236 Cb 1.24 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1aa6 h GLU 236 CO 0.10 0.58 0.00 0.39 -0.73 0.00 0.00 179.01 179.35 1aa6 n GLU 237 N -4.68 3.29 -3.64 1.92 1.02 -0.25 -4.96 120.64 113.35 1aa6 n GLU 237 Ca 0.18 -2.57 -0.21 0.00 -0.02 0.00 0.00 57.16 54.54 1aa6 n GLU 237 Cb 0.36 -1.77 0.05 0.00 -0.02 0.00 0.00 31.44 30.06 1aa6 n GLU 237 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1aa6 n ASN 238 N 1.13 -1.73 -0.57 1.62 3.02 -0.43 -4.91 115.26 113.39 1aa6 n ASN 238 Ca 0.23 -0.76 0.09 0.00 -0.03 0.00 0.00 54.58 54.12 1aa6 n ASN 238 Cb 0.77 -4.37 0.04 0.00 -0.61 0.00 0.00 39.78 35.61 1aa6 n ASN 238 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1aa6 n LEU 239 N -4.28 2.14 -4.88 3.41 4.77 0.24 -5.00 117.00 113.42 1aa6 n LEU 239 Ca -0.27 -0.88 -0.30 0.00 -0.03 0.00 0.00 56.01 54.52 1aa6 n LEU 239 Cb 0.67 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.79 1aa6 n LEU 239 CO 0.67 0.39 0.74 -0.72 -1.33 0.00 0.00 177.39 177.13 1aa6 s TYR 240 N -1.79 3.37 -0.94 -1.77 1.13 -1.24 -4.87 117.35 111.25 1aa6 s TYR 240 Ca 0.18 1.12 -0.18 0.00 -1.41 0.00 0.00 57.07 56.78 1aa6 s TYR 240 Cb 0.15 -2.99 0.14 0.00 -1.10 0.00 0.00 41.96 38.16 1aa6 s TYR 240 CO 0.34 -1.09 1.12 0.34 -2.51 0.00 0.00 175.55 173.75 1aa6 s ASP 241 N -4.29 6.67 0.18 -0.18 -1.08 0.59 -4.90 116.67 113.65 1aa6 s ASP 241 Ca 0.57 -2.15 -0.13 0.00 -0.52 0.00 0.00 52.55 50.32 1aa6 s ASP 241 Cb -0.11 -2.38 0.15 0.00 -1.46 0.00 0.00 42.92 39.11 1aa6 s ASP 241 CO 0.52 -1.01 1.77 0.11 0.52 0.00 0.00 175.17 177.09 1aa6 h LYS 242 N 8.65 0.44 -0.27 4.34 1.57 -1.94 0.49 116.57 129.85 1aa6 h LYS 242 Ca 0.16 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1aa6 h LYS 242 Cb 1.02 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.19 1aa6 h LYS 242 CO 1.09 0.29 0.04 0.00 -0.57 0.00 0.00 179.45 180.30 1aa6 h ALA 243 N 1.29 0.27 0.09 3.86 0.00 -1.99 0.12 119.26 122.90 1aa6 h ALA 243 Ca 0.23 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1aa6 h ALA 243 Cb 0.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1aa6 h ALA 243 CO -0.18 -0.37 -0.05 0.35 0.00 0.00 0.00 179.25 179.00 1aa6 h PHE 244 N 0.14 -0.12 -0.70 0.00 3.04 -1.81 0.07 116.94 117.58 1aa6 h PHE 244 Ca 0.12 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.14 1aa6 h PHE 244 Cb 0.13 0.04 -0.06 0.00 2.56 0.00 0.00 35.95 38.62 1aa6 h PHE 244 CO -0.17 -0.04 0.38 0.28 -2.02 0.00 0.00 178.31 176.74 1aa6 h VAL 245 N -0.17 0.93 0.46 1.41 2.07 -0.60 0.25 116.25 120.61 1aa6 h VAL 245 Ca -0.01 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1aa6 h VAL 245 Cb 0.13 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1aa6 h VAL 245 CO 0.02 0.12 -0.22 0.00 0.02 0.00 0.00 177.57 177.51 1aa6 h ALA 246 N 1.38 -0.62 0.00 1.67 0.00 -0.41 -2.77 119.26 118.51 1aa6 h ALA 246 Ca 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1aa6 h ALA 246 Cb 0.25 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1aa6 h ALA 246 CO -0.21 -0.75 -0.29 0.66 0.00 0.00 0.00 179.25 178.66 1aa6 h SER 247 N -0.81 0.00 0.00 0.00 4.64 -0.81 -3.40 113.55 113.18 1aa6 h SER 247 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1aa6 h SER 247 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1aa6 h SER 247 CO 0.10 0.04 0.00 0.54 -0.87 0.00 0.00 176.83 176.64 1aa6 n ARG 248 N -3.00 2.81 -4.66 4.77 1.74 0.87 -5.03 116.66 114.15 1aa6 n ARG 248 Ca 0.03 -0.23 -0.30 0.00 -0.77 0.00 0.00 57.85 56.58 1aa6 n ARG 248 Cb 0.55 -0.71 -0.08 0.00 -1.02 0.00 0.00 32.46 31.20 1aa6 n ARG 248 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1aa6 s THR 249 N -0.47 1.01 -0.20 0.55 -4.23 -1.04 -1.70 115.64 109.55 1aa6 s THR 249 Ca 0.00 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.32 1aa6 s THR 249 Cb 0.00 -2.28 0.05 0.00 1.34 0.00 0.00 72.50 71.61 1aa6 s THR 249 CO 0.00 0.00 0.55 -0.70 -0.54 0.00 0.00 174.62 173.93 1aa6 s GLU 250 N -3.81 0.65 0.00 3.99 2.12 -0.35 -4.83 118.70 116.46 1aa6 s GLU 250 Ca 0.14 0.74 0.00 0.00 0.36 0.00 0.00 54.97 56.21 1aa6 s GLU 250 Cb 0.02 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.73 1aa6 s GLU 250 CO 0.08 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.13 1aa6 n GLY 251 N 2.74 0.62 0.39 -1.50 0.00 -1.26 -0.30 105.19 105.88 1aa6 n GLY 251 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 1aa6 n GLY 251 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1aa6 h PHE 252 N 0.00 -1.17 -0.86 1.61 3.57 -1.93 -1.79 116.94 116.37 1aa6 h PHE 252 Ca 0.00 0.05 0.16 0.00 3.53 0.00 0.00 57.97 61.70 1aa6 h PHE 252 Cb 0.00 0.53 -0.10 0.00 2.79 0.00 0.00 35.95 39.18 1aa6 h PHE 252 CO 0.00 -0.47 0.44 0.93 -2.23 0.00 0.00 178.31 176.98 1aa6 h GLU 253 N -0.48 0.58 0.00 1.11 4.39 -1.98 0.33 114.58 118.53 1aa6 h GLU 253 Ca 0.08 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.62 1aa6 h GLU 253 Cb 0.62 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1aa6 h GLU 253 CO -0.39 0.39 -0.57 0.93 -1.16 0.00 0.00 179.01 178.20 1aa6 h GLU 254 N 0.60 0.00 0.10 2.33 4.39 -1.91 -1.18 114.58 118.92 1aa6 h GLU 254 Ca 0.48 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.17 1aa6 h GLU 254 Cb 0.70 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1aa6 h GLU 254 CO -0.38 0.57 -0.05 -0.92 -1.16 0.00 0.00 179.01 177.07 1aa6 h TYR 255 N 0.00 -0.13 -0.90 4.33 3.20 -0.42 -3.03 116.97 120.02 1aa6 h TYR 255 Ca -0.01 -0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.03 1aa6 h TYR 255 Cb 1.18 0.04 -0.10 0.00 1.54 0.00 0.00 36.73 39.39 1aa6 h TYR 255 CO 0.00 0.37 0.48 -0.09 -1.64 0.00 0.00 178.16 177.28 1aa6 h ARG 256 N -0.75 0.60 -0.47 1.82 2.43 -0.39 -0.61 114.38 117.02 1aa6 h ARG 256 Ca -0.01 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.20 1aa6 h ARG 256 Cb 0.56 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.91 1aa6 h ARG 256 CO 0.02 0.40 0.10 -0.22 -1.51 0.00 0.00 179.97 178.76 1aa6 h LYS 257 N 0.62 0.23 0.01 0.20 1.63 -1.19 -1.92 116.57 116.15 1aa6 h LYS 257 Ca 0.51 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 60.26 1aa6 h LYS 257 Cb 0.80 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 1aa6 h LYS 257 CO -0.40 0.15 -0.17 0.82 -3.45 0.00 0.00 179.45 176.40 1aa6 h ILE 258 N 0.23 1.64 0.00 2.00 2.04 -1.04 -3.30 117.51 119.08 1aa6 h ILE 258 Ca 0.23 -2.10 0.00 0.00 1.00 0.00 0.00 64.86 63.99 1aa6 h ILE 258 Cb 0.30 3.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 1aa6 h ILE 258 CO -0.30 0.56 0.00 -0.37 0.00 0.00 0.00 178.15 178.04 1aa6 h VAL 259 N -0.71 0.00 -0.38 1.67 -1.51 -1.21 -3.09 116.25 111.02 1aa6 h VAL 259 Ca -0.02 -0.13 0.07 0.00 -1.23 0.00 0.00 66.70 65.38 1aa6 h VAL 259 Cb 1.01 0.80 -0.06 0.00 -2.13 0.00 0.00 31.29 30.91 1aa6 h VAL 259 CO 0.03 0.00 0.02 -0.33 -1.23 0.00 0.00 177.57 176.06 1aa6 h GLU 260 N 0.00 0.13 0.00 5.19 5.08 -1.42 -1.79 114.58 121.77 1aa6 h GLU 260 Ca 0.00 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1aa6 h GLU 260 Cb 0.18 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1aa6 h GLU 260 CO 0.00 0.08 -0.24 0.78 -1.00 0.00 0.00 179.01 178.63 1aa6 h GLY 261 N 0.13 0.00 -6.00 -3.84 0.00 -1.76 -3.36 103.07 88.24 1aa6 h GLY 261 Ca 0.19 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.81 1aa6 h GLY 261 CO -0.29 0.00 3.10 -1.72 0.00 0.00 0.00 176.54 177.62 1aa6 n TYR 262 N -3.44 3.36 -1.85 5.60 4.02 -0.67 -4.89 117.16 119.28 1aa6 n TYR 262 Ca -0.00 -2.89 -0.32 0.00 -0.01 0.00 0.00 57.90 54.68 1aa6 n TYR 262 Cb 0.43 -2.49 0.03 0.00 -0.02 0.00 0.00 39.34 37.29 1aa6 n TYR 262 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1aa6 s THR 263 N 3.31 3.88 0.16 -0.72 -4.23 -1.26 -3.87 115.64 112.90 1aa6 s THR 263 Ca 0.49 0.78 -0.16 0.00 -1.18 0.00 0.00 61.69 61.62 1aa6 s THR 263 Cb 0.14 -3.37 0.03 0.00 1.34 0.00 0.00 72.50 70.64 1aa6 s THR 263 CO -0.07 -0.63 1.77 -0.65 -0.54 0.00 0.00 174.62 174.49 1aa6 h PRO 264 N -0.02 0.35 -0.71 3.99 0.11 -1.91 -2.68 132.00 131.12 1aa6 h PRO 264 Ca -0.46 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.72 1aa6 h PRO 264 Cb 1.22 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 1aa6 h PRO 264 CO 0.57 0.23 0.37 0.93 -0.21 0.00 0.00 178.00 179.89 1aa6 h GLU 265 N 0.36 0.63 0.00 1.05 3.07 -1.92 -0.60 114.58 117.16 1aa6 h GLU 265 Ca 0.17 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1aa6 h GLU 265 Cb 0.10 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1aa6 h GLU 265 CO -0.14 0.41 0.00 -1.13 -1.40 0.00 0.00 179.01 176.76 1aa6 n SER 266 N -4.83 0.35 0.00 1.42 3.41 -1.02 -2.39 113.62 110.57 1aa6 n SER 266 Ca 0.10 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 1aa6 n SER 266 Cb 0.24 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 1aa6 n SER 266 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1aa6 n VAL 267 N -1.96 0.67 -0.17 -3.33 3.14 -0.27 -4.77 118.33 111.65 1aa6 n VAL 267 Ca -0.01 -0.74 0.07 0.00 -2.96 0.00 0.00 64.34 60.70 1aa6 n VAL 267 Cb 0.04 0.70 0.36 0.00 -1.06 0.00 0.00 33.84 33.88 1aa6 n VAL 267 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1aa6 h GLU 268 N 0.00 0.71 0.06 1.45 5.08 -1.11 -0.44 114.58 120.32 1aa6 h GLU 268 Ca 0.00 -0.04 -0.27 0.00 -1.00 0.00 0.00 59.36 58.05 1aa6 h GLU 268 Cb 0.51 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1aa6 h GLU 268 CO 0.00 0.47 -1.37 -0.44 -1.00 0.00 0.00 179.01 176.67 1aa6 h ASP 269 N 0.73 0.20 -0.35 1.42 3.32 -1.85 0.10 116.42 119.98 1aa6 h ASP 269 Ca 0.30 -0.26 -0.17 0.00 0.02 0.00 0.00 57.03 56.92 1aa6 h ASP 269 Cb 0.25 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1aa6 h ASP 269 CO -0.10 1.21 -0.44 0.40 -1.72 0.00 0.00 179.24 178.60 1aa6 h ILE 270 N 0.03 1.27 0.00 0.35 2.04 -1.78 -3.28 117.51 116.15 1aa6 h ILE 270 Ca -0.17 -1.61 -0.21 0.00 1.00 0.00 0.00 64.86 63.87 1aa6 h ILE 270 Cb 1.93 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 39.44 1aa6 h ILE 270 CO 0.14 0.54 -1.54 0.35 0.00 0.00 0.00 178.15 177.64 1aa6 n THR 271 N -4.05 1.31 -1.47 -0.27 -2.24 -0.21 -4.54 114.28 102.81 1aa6 n THR 271 Ca -0.03 -0.73 -0.05 0.00 -2.27 0.00 0.00 64.05 60.97 1aa6 n THR 271 Cb 0.57 -0.82 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 1aa6 n THR 271 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aa6 n GLY 272 N 1.45 0.57 3.29 3.38 0.00 0.33 -0.07 105.19 114.15 1aa6 n GLY 272 Ca -0.12 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 1aa6 n GLY 272 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aa6 s VAL 273 N -2.21 2.02 0.42 1.61 1.01 -1.11 -4.88 120.40 117.26 1aa6 s VAL 273 Ca 0.00 -1.08 -0.24 0.00 0.00 0.00 0.00 61.98 60.65 1aa6 s VAL 273 Cb 0.00 -1.69 -0.08 0.00 0.00 0.00 0.00 36.38 34.61 1aa6 s VAL 273 CO 0.00 0.57 1.15 -0.94 0.00 0.00 0.00 175.10 175.88 1aa6 s SER 274 N -0.48 6.44 0.29 3.32 1.04 -1.26 -4.35 113.70 118.70 1aa6 s SER 274 Ca 0.06 2.28 0.03 0.00 0.48 0.00 0.00 55.95 58.79 1aa6 s SER 274 Cb -0.11 -2.60 0.61 0.00 0.10 0.00 0.00 66.02 64.01 1aa6 s SER 274 CO 0.00 -0.73 1.82 0.00 0.98 0.00 0.00 173.24 175.32 1aa6 h ALA 275 N 2.41 1.57 -0.43 5.32 0.00 -1.94 0.78 119.26 126.97 1aa6 h ALA 275 Ca -0.49 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1aa6 h ALA 275 Cb 1.24 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1aa6 h ALA 275 CO 0.62 0.16 0.02 0.66 0.00 0.00 0.00 179.25 180.71 1aa6 h SER 276 N 0.94 0.65 0.04 0.00 4.64 -1.96 0.79 113.55 118.64 1aa6 h SER 276 Ca 0.51 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1aa6 h SER 276 Cb 0.59 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1aa6 h SER 276 CO -0.29 0.70 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.02 1aa6 h GLU 277 N 0.65 -0.06 -0.22 4.77 5.08 -1.26 0.21 114.58 123.75 1aa6 h GLU 277 Ca 0.14 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1aa6 h GLU 277 Cb 0.37 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1aa6 h GLU 277 CO 0.01 0.06 -0.05 0.82 -1.00 0.00 0.00 179.01 178.86 1aa6 h ILE 278 N -0.16 0.79 -0.66 3.13 2.04 -0.81 0.12 117.51 121.96 1aa6 h ILE 278 Ca -0.01 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1aa6 h ILE 278 Cb 0.14 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1aa6 h ILE 278 CO 0.01 0.00 0.31 0.03 0.00 0.00 0.00 178.15 178.50 1aa6 h ARG 279 N 0.01 0.95 -0.65 2.37 3.08 -0.67 -1.52 114.38 117.95 1aa6 h ARG 279 Ca 0.11 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 1aa6 h ARG 279 Cb 0.16 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1aa6 h ARG 279 CO -0.22 0.76 0.09 0.37 -1.07 0.00 0.00 179.97 179.91 1aa6 h GLN 280 N 0.91 1.08 -0.57 0.04 4.15 0.06 -0.92 115.11 119.86 1aa6 h GLN 280 Ca 0.22 -0.30 -0.09 0.00 0.77 0.00 0.00 58.65 59.26 1aa6 h GLN 280 Cb 0.13 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1aa6 h GLN 280 CO -0.03 1.00 0.01 0.00 -1.93 0.00 0.00 178.83 177.89 1aa6 h ALA 281 N 1.04 0.93 -0.68 3.38 0.00 -0.51 -0.98 119.26 122.44 1aa6 h ALA 281 Ca 0.20 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1aa6 h ALA 281 Cb 0.45 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1aa6 h ALA 281 CO 0.01 0.64 0.13 0.00 0.00 0.00 0.00 179.25 180.04 1aa6 h ALA 282 N 1.09 0.90 -0.21 0.00 0.00 -1.00 -0.43 119.26 119.63 1aa6 h ALA 282 Ca 0.17 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 1aa6 h ALA 282 Cb 0.52 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1aa6 h ALA 282 CO 0.03 0.66 -0.67 0.00 0.00 0.00 0.00 179.25 179.26 1aa6 h ARG 283 N 1.04 0.82 -0.21 0.00 3.08 -0.95 -0.09 114.38 118.08 1aa6 h ARG 283 Ca 0.21 -0.61 -0.01 0.00 0.07 0.00 0.00 59.98 59.65 1aa6 h ARG 283 Cb 0.42 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1aa6 h ARG 283 CO 0.01 1.22 0.11 1.98 -1.07 0.00 0.00 179.97 182.23 1aa6 h MET 284 N 0.58 0.30 -0.69 0.04 4.05 -1.05 0.89 114.93 119.05 1aa6 h MET 284 Ca -0.02 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.33 1aa6 h MET 284 Cb 1.29 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 32.00 1aa6 h MET 284 CO 0.14 0.29 0.31 -0.92 0.23 0.00 0.00 176.91 176.97 1aa6 h TYR 285 N 0.23 1.02 -0.05 1.39 3.20 -1.00 -2.40 116.97 119.36 1aa6 h TYR 285 Ca 0.07 -0.06 -0.13 0.00 3.14 0.00 0.00 58.73 61.75 1aa6 h TYR 285 Cb 0.08 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1aa6 h TYR 285 CO -0.03 0.78 -0.57 0.00 -1.64 0.00 0.00 178.16 176.69 1aa6 h ALA 286 N 1.14 0.95 0.00 1.82 0.00 -0.66 -3.28 119.26 119.24 1aa6 h ALA 286 Ca 0.24 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1aa6 h ALA 286 Cb 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1aa6 h ALA 286 CO -0.03 0.71 -0.24 1.96 0.00 0.00 0.00 179.25 181.66 1aa6 h GLN 287 N 0.12 0.00 -6.74 0.00 4.20 0.13 -3.46 115.11 109.36 1aa6 h GLN 287 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1aa6 h GLN 287 Cb 1.04 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.89 1aa6 h GLN 287 CO 0.08 0.09 0.83 0.00 -0.67 0.00 0.00 178.83 179.16 1aa6 s ALA 288 N -3.18 3.71 0.36 3.87 0.00 -0.95 -4.88 121.76 120.69 1aa6 s ALA 288 Ca 0.05 1.43 0.09 0.00 0.00 0.00 0.00 51.96 53.53 1aa6 s ALA 288 Cb 0.06 -3.60 0.82 0.00 0.00 0.00 0.00 23.12 20.39 1aa6 s ALA 288 CO 0.70 -0.84 1.89 0.87 0.00 0.00 0.00 175.76 178.38 1aa6 h LYS 289 N 5.34 0.67 -2.58 0.00 1.57 -1.92 -3.40 116.57 116.24 1aa6 h LYS 289 Ca -0.46 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.18 1aa6 h LYS 289 Cb 1.22 -0.15 -0.26 0.00 0.08 0.00 0.00 32.23 33.12 1aa6 h LYS 289 CO 0.81 0.44 -0.26 -1.12 -0.57 0.00 0.00 179.45 178.76 1aa6 s SER 290 N -5.86 -0.56 0.01 0.86 0.01 -1.26 -5.05 113.70 101.85 1aa6 s SER 290 Ca -0.10 0.96 0.03 0.00 1.31 0.00 0.00 55.95 58.15 1aa6 s SER 290 Cb 0.21 0.84 -0.01 0.00 0.21 0.00 0.00 66.02 67.28 1aa6 s SER 290 CO 0.78 -0.20 -0.10 0.00 0.41 0.00 0.00 173.24 174.14 1aa6 s ALA 291 N 1.35 0.82 -0.06 1.44 0.00 -1.25 -1.47 121.76 122.58 1aa6 s ALA 291 Ca -0.09 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.39 1aa6 s ALA 291 Cb -0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1aa6 s ALA 291 CO -0.13 0.17 -0.25 0.00 0.00 0.00 0.00 175.76 175.55 1aa6 s ALA 292 N -0.51 2.17 -0.15 0.00 0.00 -0.57 -3.25 121.76 119.45 1aa6 s ALA 292 Ca 0.01 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 1aa6 s ALA 292 Cb -0.05 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 1aa6 s ALA 292 CO 0.00 0.40 0.02 0.42 0.00 0.00 0.00 175.76 176.59 1aa6 s ILE 293 N -0.08 4.39 -0.05 0.00 1.01 -1.03 -0.22 121.20 125.22 1aa6 s ILE 293 Ca -0.06 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.43 1aa6 s ILE 293 Cb -0.14 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1aa6 s ILE 293 CO 0.05 0.51 -0.14 -0.76 0.00 0.00 0.00 174.94 174.59 1aa6 s LEU 294 N 0.08 1.81 0.21 2.97 1.43 -0.62 -0.03 118.68 124.54 1aa6 s LEU 294 Ca 0.03 -0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 52.77 1aa6 s LEU 294 Cb -0.13 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 1aa6 s LEU 294 CO 0.02 0.10 0.23 -1.66 0.23 0.00 0.00 176.35 175.27 1aa6 s TRP 295 N 0.29 0.91 0.00 0.29 -2.14 -0.94 -1.40 118.94 115.95 1aa6 s TRP 295 Ca -0.08 -1.18 0.00 0.00 2.66 0.00 0.00 56.10 57.50 1aa6 s TRP 295 Cb -0.13 -0.33 0.00 0.00 -3.10 0.00 0.00 33.47 29.91 1aa6 s TRP 295 CO 0.03 -0.74 0.00 0.41 -2.66 0.00 0.00 176.95 173.99 1aa6 n GLY 296 N -0.30 5.65 0.19 3.67 0.00 -0.93 -1.54 105.19 111.93 1aa6 n GLY 296 Ca 0.01 -0.91 -0.07 0.00 0.00 0.00 0.00 46.02 45.05 1aa6 n GLY 296 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1aa6 h MET 297 N 0.00 0.37 0.00 1.61 2.86 -1.90 -3.07 114.93 114.80 1aa6 h MET 297 Ca 0.00 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1aa6 h MET 297 Cb 0.00 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1aa6 h MET 297 CO 0.00 0.85 0.20 0.41 1.06 0.00 0.00 176.91 179.43 1aa6 n GLY 298 N 0.26 -0.27 0.09 8.32 0.00 -1.18 -0.35 105.19 112.06 1aa6 n GLY 298 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 1aa6 n GLY 298 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1aa6 n VAL 299 N -1.26 1.24 -0.02 1.61 0.31 -1.16 -4.82 118.33 114.23 1aa6 n VAL 299 Ca 0.00 0.20 -0.07 0.00 -0.01 0.00 0.00 64.34 64.46 1aa6 n VAL 299 Cb 0.20 -2.19 0.11 0.00 -0.91 0.00 0.00 33.84 31.05 1aa6 n VAL 299 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1aa6 h THR 300 N -0.82 1.29 -0.45 2.52 1.35 -0.71 -3.35 112.91 112.74 1aa6 h THR 300 Ca 0.00 -1.51 -0.70 0.00 -0.55 0.00 0.00 66.41 63.65 1aa6 h THR 300 Cb 0.82 1.48 -0.04 0.00 -1.73 0.00 0.00 68.15 68.68 1aa6 h THR 300 CO 0.00 0.48 3.21 0.00 -0.25 0.00 0.00 175.52 178.96 1aa6 n GLN 301 N -4.05 3.87 -3.71 4.72 6.02 0.28 -4.43 117.38 120.08 1aa6 n GLN 301 Ca -0.01 -2.73 -0.14 0.00 -0.01 0.00 0.00 57.00 54.11 1aa6 n GLN 301 Cb 0.49 -2.82 -0.08 0.00 1.02 0.00 0.00 30.24 28.86 1aa6 n GLN 301 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1aa6 s PHE 302 N 1.16 -0.29 0.24 1.08 0.08 -1.25 -2.60 117.98 116.41 1aa6 s PHE 302 Ca 0.60 0.45 -0.05 0.00 0.12 0.00 0.00 56.93 58.06 1aa6 s PHE 302 Cb 0.17 0.17 0.36 0.00 -0.57 0.00 0.00 43.02 43.15 1aa6 s PHE 302 CO -0.07 -0.44 1.84 -0.92 -0.10 0.00 0.00 175.22 175.53 1aa6 h TYR 303 N 3.65 0.96 -0.32 0.36 3.20 -1.86 0.57 116.97 123.53 1aa6 h TYR 303 Ca -0.29 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.59 1aa6 h TYR 303 Cb 1.17 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1aa6 h TYR 303 CO 0.49 0.46 0.02 1.04 -1.64 0.00 0.00 178.16 178.53 1aa6 n GLN 304 N -4.65 2.98 0.13 1.82 6.02 -1.26 -4.40 117.38 118.03 1aa6 n GLN 304 Ca 0.13 -1.66 -0.14 0.00 -0.01 0.00 0.00 57.00 55.32 1aa6 n GLN 304 Cb 0.21 -1.89 -0.08 0.00 1.02 0.00 0.00 30.24 29.50 1aa6 n GLN 304 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1aa6 h GLY 305 N 4.36 -0.29 1.00 1.08 0.00 0.03 0.18 103.07 109.45 1aa6 h GLY 305 Ca 0.02 0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.52 1aa6 h GLY 305 CO 0.28 -0.10 0.50 -2.08 0.00 0.00 0.00 176.54 175.13 1aa6 h VAL 306 N -0.34 1.03 -0.19 4.60 2.07 -1.77 -1.92 116.25 119.72 1aa6 h VAL 306 Ca -0.03 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1aa6 h VAL 306 Cb 0.26 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1aa6 h VAL 306 CO 0.05 0.15 -0.04 -0.33 0.02 0.00 0.00 177.57 177.42 1aa6 h GLU 307 N 0.80 0.37 -0.99 1.57 3.07 -1.70 -3.06 114.58 114.64 1aa6 h GLU 307 Ca 0.33 -0.14 0.03 0.00 -0.50 0.00 0.00 59.36 59.08 1aa6 h GLU 307 Cb 0.25 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.09 1aa6 h GLU 307 CO -0.11 0.61 0.65 1.15 -1.40 0.00 0.00 179.01 179.91 1aa6 h THR 308 N 0.09 1.19 -0.10 1.13 2.02 -0.01 0.23 112.91 117.47 1aa6 h THR 308 Ca 0.05 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 66.81 1aa6 h THR 308 Cb 0.47 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1aa6 h THR 308 CO 0.02 0.23 0.01 0.58 0.37 0.00 0.00 175.52 176.73 1aa6 h VAL 309 N 1.27 0.95 -0.04 3.16 2.07 -1.36 0.11 116.25 122.40 1aa6 h VAL 309 Ca 0.39 -0.02 -0.11 0.00 0.82 0.00 0.00 66.70 67.78 1aa6 h VAL 309 Cb -0.03 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1aa6 h VAL 309 CO -0.11 0.01 -0.48 0.03 0.02 0.00 0.00 177.57 177.04 1aa6 h ARG 310 N 0.05 0.09 -0.43 1.57 2.47 -1.36 -1.59 114.38 115.17 1aa6 h ARG 310 Ca 0.04 -0.05 -0.12 0.00 -1.26 0.00 0.00 59.98 58.60 1aa6 h ARG 310 Cb 0.04 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 1aa6 h ARG 310 CO -0.07 0.55 -0.21 1.03 0.56 0.00 0.00 179.97 181.83 1aa6 h SER 311 N 0.07 0.87 -0.02 7.04 0.87 0.13 -2.04 113.55 120.47 1aa6 h SER 311 Ca 0.00 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 1aa6 h SER 311 Cb 0.87 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1aa6 h SER 311 CO 0.07 1.05 -0.04 -0.07 -0.53 0.00 0.00 176.83 177.31 1aa6 h LEU 312 N 0.74 0.06 -1.67 2.23 3.38 -0.62 -3.11 115.31 116.33 1aa6 h LEU 312 Ca 0.10 -0.57 0.21 0.00 0.09 0.00 0.00 57.88 57.70 1aa6 h LEU 312 Cb 0.74 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 1aa6 h LEU 312 CO 0.06 0.63 0.58 0.74 0.09 0.00 0.00 178.44 180.53 1aa6 h THR 313 N -0.50 0.67 -0.80 0.22 2.02 -1.26 0.65 112.91 113.91 1aa6 h THR 313 Ca 0.00 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 1aa6 h THR 313 Cb 0.62 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 1aa6 h THR 313 CO 0.01 0.05 0.32 0.28 0.37 0.00 0.00 175.52 176.55 1aa6 h SER 314 N 0.28 1.10 -0.97 4.18 0.02 -1.30 -0.94 113.55 115.91 1aa6 h SER 314 Ca 0.43 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1aa6 h SER 314 Cb 1.25 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 63.45 1aa6 h SER 314 CO -0.12 0.97 0.65 -0.07 -1.14 0.00 0.00 176.83 177.12 1aa6 h LEU 315 N 1.16 1.11 -0.84 5.07 3.38 -0.86 0.32 115.31 124.65 1aa6 h LEU 315 Ca 0.27 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 1aa6 h LEU 315 Cb 0.21 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1aa6 h LEU 315 CO -0.02 0.80 -0.06 0.00 0.09 0.00 0.00 178.44 179.25 1aa6 h ALA 316 N 1.40 1.03 -0.10 1.53 0.00 -1.15 -1.76 119.26 120.20 1aa6 h ALA 316 Ca 0.36 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1aa6 h ALA 316 Cb -0.14 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1aa6 h ALA 316 CO -0.08 0.59 -0.04 0.52 0.00 0.00 0.00 179.25 180.24 1aa6 h MET 317 N 0.73 0.22 -0.92 0.00 2.86 -0.29 0.35 114.93 117.88 1aa6 h MET 317 Ca 0.13 -0.09 0.12 0.00 -2.06 0.00 0.00 59.70 57.80 1aa6 h MET 317 Cb 0.54 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.12 1aa6 h MET 317 CO 0.03 0.56 0.59 1.25 1.06 0.00 0.00 176.91 180.40 1aa6 h LEU 318 N -0.13 0.78 -2.44 1.22 5.85 -0.20 -1.93 115.31 118.46 1aa6 h LEU 318 Ca 0.02 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1aa6 h LEU 318 Cb 0.49 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1aa6 h LEU 318 CO 0.01 0.43 0.00 0.35 -0.34 0.00 0.00 178.44 178.89 1aa6 n THR 319 N -4.56 0.86 -3.47 1.05 -2.24 -0.68 -0.30 114.28 104.94 1aa6 n THR 319 Ca 0.17 -0.88 -0.25 0.00 -2.27 0.00 0.00 64.05 60.81 1aa6 n THR 319 Cb 0.37 0.48 0.04 0.00 -2.10 0.00 0.00 70.33 69.12 1aa6 n THR 319 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aa6 n GLY 320 N 1.56 -0.52 2.77 3.38 0.00 -0.69 -4.70 105.19 106.99 1aa6 n GLY 320 Ca 0.22 0.17 -0.37 0.00 0.00 0.00 0.00 46.02 46.04 1aa6 n GLY 320 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1aa6 n ASN 321 N -2.69 7.42 -3.71 1.61 3.02 0.12 -4.87 115.26 116.16 1aa6 n ASN 321 Ca -0.02 -3.75 -0.14 0.00 -0.03 0.00 0.00 54.58 50.64 1aa6 n ASN 321 Cb 0.57 -1.08 -0.08 0.00 -0.61 0.00 0.00 39.78 38.58 1aa6 n ASN 321 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1aa6 s LEU 322 N -3.79 0.50 0.00 3.41 1.43 -1.26 -1.07 118.68 117.90 1aa6 s LEU 322 Ca 0.54 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 1aa6 s LEU 322 Cb 0.44 1.52 0.00 0.00 0.03 0.00 0.00 46.19 48.18 1aa6 s LEU 322 CO -0.33 -0.42 0.00 0.61 0.23 0.00 0.00 176.35 176.44 1aa6 n GLY 323 N 1.53 0.76 3.17 -3.19 0.00 -1.25 -5.00 105.19 101.20 1aa6 n GLY 323 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1aa6 n GLY 323 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aa6 s LYS 324 N -0.36 0.95 0.61 1.61 -2.85 -1.26 -4.24 119.74 114.19 1aa6 s LYS 324 Ca 0.00 -1.45 -0.13 0.00 -1.00 0.00 0.00 55.97 53.39 1aa6 s LYS 324 Cb 0.00 0.14 -0.04 0.00 -2.06 0.00 0.00 37.83 35.87 1aa6 s LYS 324 CO 0.00 -0.23 1.03 -1.25 0.10 0.00 0.00 175.35 175.00 1aa6 s PRO 325 N -4.02 3.56 -1.61 1.78 0.04 -1.26 -4.06 135.00 129.43 1aa6 s PRO 325 Ca 0.23 0.86 -0.04 0.00 0.04 0.00 0.00 61.00 62.10 1aa6 s PRO 325 Cb 0.07 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1aa6 s PRO 325 CO 0.02 -0.60 0.50 0.72 0.04 0.00 0.00 177.00 177.68 1aa6 n HIS 326 N -2.49 -1.79 -1.89 0.56 8.25 -1.26 -4.93 115.22 111.68 1aa6 n HIS 326 Ca 0.07 0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 1aa6 n HIS 326 Cb 0.54 -4.43 0.00 0.00 1.12 0.00 0.00 29.99 27.22 1aa6 n HIS 326 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1aa6 n ALA 327 N -3.27 0.00 0.00 -1.41 0.00 -1.26 -3.89 120.51 110.68 1aa6 n ALA 327 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1aa6 n ALA 327 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1aa6 n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aa6 n GLY 328 N 0.00 -2.22 2.96 0.00 0.00 -0.23 -4.56 105.19 101.14 1aa6 n GLY 328 Ca 0.00 -2.18 -0.28 0.00 0.00 0.00 0.00 46.02 43.56 1aa6 n GLY 328 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aa6 s VAL 329 N -0.74 1.30 -0.39 1.61 0.11 -1.26 -2.47 120.40 118.56 1aa6 s VAL 329 Ca 0.00 -0.47 0.01 0.00 -2.93 0.00 0.00 61.98 58.58 1aa6 s VAL 329 Cb 0.00 -1.27 0.13 0.00 -1.53 0.00 0.00 36.38 33.72 1aa6 s VAL 329 CO 0.00 0.40 0.22 0.20 -3.33 0.00 0.00 175.10 172.59 1aa6 s ASN 330 N 1.60 3.39 -0.38 3.54 0.01 0.96 -1.78 114.94 122.28 1aa6 s ASN 330 Ca 0.05 -2.37 -0.29 0.00 -0.71 0.00 0.00 52.86 49.54 1aa6 s ASN 330 Cb -0.13 -0.75 0.01 0.00 0.41 0.00 0.00 41.25 40.79 1aa6 s ASN 330 CO -0.09 -0.30 1.32 -2.16 -1.51 0.00 0.00 177.10 174.36 1aa6 s PRO 331 N 0.75 3.75 -0.58 -0.60 0.04 -1.26 -2.22 135.00 134.88 1aa6 s PRO 331 Ca 0.17 1.01 -0.22 0.00 0.04 0.00 0.00 61.00 62.00 1aa6 s PRO 331 Cb -0.23 -3.94 0.06 0.00 0.04 0.00 0.00 34.50 30.43 1aa6 s PRO 331 CO -0.01 -1.34 0.83 0.08 0.04 0.00 0.00 177.00 176.60 1aa6 s VAL 332 N 4.81 4.55 0.64 -0.36 1.01 -0.59 -4.55 120.40 125.91 1aa6 s VAL 332 Ca 0.57 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.18 1aa6 s VAL 332 Cb -0.14 -4.52 0.02 0.00 0.00 0.00 0.00 36.38 31.75 1aa6 s VAL 332 CO 0.28 -1.15 0.96 -0.13 0.00 0.00 0.00 175.10 175.07 1aa6 s ARG 333 N 3.47 2.77 0.00 2.72 0.52 -1.26 -4.68 118.95 122.50 1aa6 s ARG 333 Ca 0.21 0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.47 1aa6 s ARG 333 Cb -0.17 -2.20 0.00 0.00 0.52 0.00 0.00 34.95 33.10 1aa6 s ARG 333 CO 0.13 -0.87 0.47 0.41 0.02 0.00 0.00 175.30 175.45 1aa6 n GLY 334 N -2.74 -2.84 3.70 -3.53 0.00 -1.26 -4.33 105.19 94.20 1aa6 n GLY 334 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1aa6 n GLY 334 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1aa6 n GLN 335 N -0.48 0.84 -0.25 1.61 6.02 -1.26 -0.62 117.38 123.25 1aa6 n GLN 335 Ca 0.00 0.35 0.25 0.00 -0.01 0.00 0.00 57.00 57.59 1aa6 n GLN 335 Cb 0.00 -2.45 0.61 0.00 1.02 0.00 0.00 30.24 29.42 1aa6 n GLN 335 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 177.06 173.10 1aa6 h ASN 336 N 0.15 0.22 -0.69 1.08 7.08 -1.18 -3.02 115.58 119.22 1aa6 h ASN 336 Ca -0.49 0.03 -0.33 0.00 -3.08 0.00 0.00 56.30 52.42 1aa6 h ASN 336 Cb 1.33 -0.01 -0.40 0.00 -2.08 0.00 0.00 38.32 37.16 1aa6 h ASN 336 CO 0.51 0.07 -1.08 -3.20 -2.08 0.00 0.00 177.43 171.65 1aa6 n ASN 337 N -4.41 2.14 0.12 6.14 5.15 -0.89 -4.44 115.26 119.07 1aa6 n ASN 337 Ca 0.21 -2.52 -0.01 0.00 -0.60 0.00 0.00 54.58 51.65 1aa6 n ASN 337 Cb 0.89 -0.47 0.06 0.00 -0.53 0.00 0.00 39.78 39.73 1aa6 n ASN 337 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 1aa6 h VAL 338 N 4.30 1.33 -0.03 3.44 3.04 -1.63 -2.55 116.25 124.14 1aa6 h VAL 338 Ca -0.04 -2.51 -0.01 0.00 -1.01 0.00 0.00 66.70 63.13 1aa6 h VAL 338 Cb 1.26 2.42 -0.00 0.00 -2.01 0.00 0.00 31.29 32.96 1aa6 h VAL 338 CO 0.38 0.68 -0.02 -0.61 -1.01 0.00 0.00 177.57 176.99 1aa6 h GLN 339 N 0.00 0.07 -0.04 4.17 5.75 -1.82 -3.15 115.11 120.08 1aa6 h GLN 339 Ca -0.01 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1aa6 h GLN 339 Cb 1.37 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.91 1aa6 h GLN 339 CO 0.09 0.48 0.03 0.78 -2.65 0.00 0.00 178.83 177.55 1aa6 h GLY 340 N -0.33 0.06 0.64 2.39 0.00 -1.65 -0.47 103.07 103.70 1aa6 h GLY 340 Ca 0.01 -0.03 0.18 0.00 0.00 0.00 0.00 47.33 47.50 1aa6 h GLY 340 CO 0.01 0.02 0.50 0.00 0.00 0.00 0.00 176.54 177.07 1aa6 h ALA 341 N 0.98 2.48 0.09 3.60 0.00 -1.52 0.31 119.26 125.20 1aa6 h ALA 341 Ca 0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1aa6 h ALA 341 Cb 0.03 0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.86 1aa6 h ALA 341 CO -0.00 -0.68 -0.66 0.00 0.00 0.00 0.00 179.25 177.90 1aa6 h ASP 343 N -0.38 0.27 -0.01 0.00 3.32 0.58 -0.88 116.42 119.32 1aa6 h ASP 343 Ca -0.11 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1aa6 h ASP 343 Cb 1.48 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1aa6 h ASP 343 CO 0.13 0.16 0.00 0.23 -1.72 0.00 0.00 179.24 178.04 1aa6 n MET 344 N -4.46 1.25 -1.35 3.56 2.81 0.90 -1.29 117.12 118.55 1aa6 n MET 344 Ca 0.09 -0.37 0.00 0.00 -1.81 0.00 0.00 57.70 55.61 1aa6 n MET 344 Cb 0.39 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 1aa6 n MET 344 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1aa6 n GLY 345 N 1.06 0.44 2.24 3.03 0.00 -0.34 -3.78 105.19 107.86 1aa6 n GLY 345 Ca 0.22 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 1aa6 n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aa6 n ALA 346 N 0.00 6.71 -2.86 4.61 0.00 -0.65 -4.69 120.51 123.63 1aa6 n ALA 346 Ca 0.00 -2.77 -0.13 0.00 0.00 0.00 0.00 53.44 50.54 1aa6 n ALA 346 Cb 0.21 -2.56 -0.12 0.00 0.00 0.00 0.00 19.45 16.98 1aa6 n ALA 346 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1aa6 s LEU 347 N -0.76 2.22 0.00 0.00 1.43 -1.24 -2.66 118.68 117.68 1aa6 s LEU 347 Ca 0.64 -0.48 0.21 0.00 -1.03 0.00 0.00 54.13 53.48 1aa6 s LEU 347 Cb 0.29 -0.16 1.25 0.00 0.03 0.00 0.00 46.19 47.60 1aa6 s LEU 347 CO -0.08 -0.17 1.67 -0.81 0.23 0.00 0.00 176.35 177.19 1aa6 n PRO 348 N 1.69 0.61 0.00 1.29 -0.04 0.00 -3.59 135.00 134.96 1aa6 n PRO 348 Ca -0.21 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1aa6 n PRO 348 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1aa6 n PRO 348 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1aa6 n ASP 349 N -1.05 0.99 -3.82 3.54 5.75 -1.26 -1.96 116.55 118.74 1aa6 n ASP 349 Ca 0.15 -1.30 -0.12 0.00 -0.01 0.00 0.00 54.79 53.51 1aa6 n ASP 349 Cb 0.09 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.08 1aa6 n ASP 349 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1aa6 s THR 350 N -0.30 0.06 0.78 2.12 -4.23 -1.24 -2.57 115.64 110.27 1aa6 s THR 350 Ca 0.00 -0.53 -0.09 0.00 -1.18 0.00 0.00 61.69 59.89 1aa6 s THR 350 Cb 0.00 -0.50 0.11 0.00 1.34 0.00 0.00 72.50 73.45 1aa6 s THR 350 CO 0.00 -0.29 1.10 -0.31 -0.54 0.00 0.00 174.62 174.58 1aa6 s TYR 351 N -1.21 2.41 0.90 3.99 2.02 -0.01 -4.44 117.35 121.00 1aa6 s TYR 351 Ca -0.13 0.34 -0.11 0.00 -0.37 0.00 0.00 57.07 56.80 1aa6 s TYR 351 Cb -0.06 -3.42 0.12 0.00 -0.40 0.00 0.00 41.96 38.20 1aa6 s TYR 351 CO 0.03 -1.79 1.06 -0.35 -1.57 0.00 0.00 175.55 172.93 1aa6 n PRO 352 N -3.15 -0.33 -1.00 -1.71 -0.04 -1.25 -3.17 135.00 124.35 1aa6 n PRO 352 Ca 0.11 -0.03 -0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1aa6 n PRO 352 Cb 0.60 -2.32 -0.00 0.00 -0.04 0.00 0.00 33.50 31.74 1aa6 n PRO 352 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aa6 n GLY 353 N 0.48 0.48 3.59 0.55 0.00 -0.41 -3.79 105.19 106.09 1aa6 n GLY 353 Ca 0.12 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 1aa6 n GLY 353 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1aa6 n TYR 354 N -2.98 -2.14 -3.70 1.61 4.01 -1.19 -4.89 117.16 107.88 1aa6 n TYR 354 Ca -0.00 0.90 -0.37 0.00 -0.16 0.00 0.00 57.90 58.27 1aa6 n TYR 354 Cb 0.01 -4.71 -0.10 0.00 -0.31 0.00 0.00 39.34 34.23 1aa6 n TYR 354 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1aa6 s GLN 355 N -5.79 2.43 0.14 -0.72 -0.21 -1.23 -4.98 119.66 109.29 1aa6 s GLN 355 Ca 0.10 -2.23 -0.35 0.00 0.02 0.00 0.00 55.36 52.90 1aa6 s GLN 355 Cb -0.05 -3.74 -0.15 0.00 1.00 0.00 0.00 33.01 30.08 1aa6 s GLN 355 CO 0.77 -1.15 1.42 0.66 -2.12 0.00 0.00 175.29 174.87 1aa6 n TYR 356 N 3.99 1.83 0.39 0.91 4.01 -1.26 -0.83 117.16 126.20 1aa6 n TYR 356 Ca 0.03 0.49 0.10 0.00 -0.16 0.00 0.00 57.90 58.36 1aa6 n TYR 356 Cb 0.40 -2.42 0.42 0.00 -0.31 0.00 0.00 39.34 37.43 1aa6 n TYR 356 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1aa6 n VAL 357 N 2.69 0.96 1.05 -0.72 0.24 -1.06 -2.48 118.33 119.00 1aa6 n VAL 357 Ca 0.17 0.29 0.13 0.00 -2.04 0.00 0.00 64.34 62.89 1aa6 n VAL 357 Cb 0.24 -1.17 0.60 0.00 -1.47 0.00 0.00 33.84 32.05 1aa6 n VAL 357 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1aa6 n LYS 358 N -1.97 0.15 -3.14 7.34 2.85 -1.26 -4.59 118.16 117.55 1aa6 n LYS 358 Ca 0.02 0.04 -0.41 0.00 -1.05 0.00 0.00 58.31 56.92 1aa6 n LYS 358 Cb 0.18 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.00 1aa6 n LYS 358 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1aa6 s ASP 359 N -2.83 6.52 0.41 -5.58 -1.08 -1.04 -4.95 116.67 108.13 1aa6 s ASP 359 Ca 0.18 0.60 0.12 0.00 -0.52 0.00 0.00 52.55 52.93 1aa6 s ASP 359 Cb 0.17 -2.32 0.96 0.00 -1.46 0.00 0.00 42.92 40.28 1aa6 s ASP 359 CO 0.45 -0.37 1.95 1.55 0.52 0.00 0.00 175.17 179.27 1aa6 h PRO 360 N 7.98 0.49 -0.38 4.34 0.13 -1.89 -1.66 132.00 141.00 1aa6 h PRO 360 Ca -0.27 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.74 1aa6 h PRO 360 Cb 1.13 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1aa6 h PRO 360 CO 0.76 0.32 -0.10 0.00 -0.23 0.00 0.00 178.00 178.76 1aa6 h ALA 361 N 1.66 0.52 -0.53 -0.56 0.00 -1.95 -0.87 119.26 117.52 1aa6 h ALA 361 Ca 0.33 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1aa6 h ALA 361 Cb 0.59 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1aa6 h ALA 361 CO -0.11 0.39 0.26 -0.91 0.00 0.00 0.00 179.25 178.89 1aa6 h ASN 362 N 0.54 0.69 -0.11 0.00 2.35 -1.69 -1.94 115.58 115.42 1aa6 h ASN 362 Ca 0.10 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.65 1aa6 h ASN 362 Cb 0.61 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 1aa6 h ASN 362 CO 0.04 0.62 -0.14 0.03 -1.65 0.00 0.00 177.43 176.33 1aa6 h ARG 363 N 0.72 0.46 -0.11 0.81 3.08 -1.20 -1.45 114.38 116.69 1aa6 h ARG 363 Ca 0.18 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1aa6 h ARG 363 Cb 0.10 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1aa6 h ARG 363 CO -0.02 0.60 0.04 1.49 -1.07 0.00 0.00 179.97 181.00 1aa6 h GLU 364 N 0.43 0.16 0.43 0.04 4.81 -0.83 -0.18 114.58 119.44 1aa6 h GLU 364 Ca 0.08 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1aa6 h GLU 364 Cb 0.50 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1aa6 h GLU 364 CO 0.03 0.30 -0.21 -0.22 -0.73 0.00 0.00 179.01 178.18 1aa6 h LYS 365 N -0.00 -0.56 0.14 1.92 3.64 -1.11 -0.51 116.57 120.09 1aa6 h LYS 365 Ca 0.03 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1aa6 h LYS 365 Cb 0.20 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1aa6 h LYS 365 CO -0.00 -0.32 -0.07 0.74 -2.27 0.00 0.00 179.45 177.53 1aa6 h PHE 366 N -0.66 -0.18 -0.86 1.91 -1.00 -1.30 0.11 116.94 114.96 1aa6 h PHE 366 Ca -0.06 -0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.80 1aa6 h PHE 366 Cb 0.49 0.06 -0.06 0.00 3.61 0.00 0.00 35.95 40.05 1aa6 h PHE 366 CO -0.03 -0.11 0.56 0.00 -1.61 0.00 0.00 178.31 177.13 1aa6 h ALA 367 N 0.67 1.62 0.19 2.45 0.00 -1.01 0.32 119.26 123.50 1aa6 h ALA 367 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1aa6 h ALA 367 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1aa6 h ALA 367 CO 0.03 0.22 -0.09 -0.22 0.00 0.00 0.00 179.25 179.19 1aa6 h LYS 368 N 0.90 -0.25 -1.00 0.00 3.64 -0.80 0.11 116.57 119.18 1aa6 h LYS 368 Ca 0.39 0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.93 1aa6 h LYS 368 Cb 0.33 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.11 1aa6 h LYS 368 CO -0.15 0.09 0.62 0.00 -2.27 0.00 0.00 179.45 177.74 1aa6 h ALA 369 N 0.09 1.61 -0.04 5.00 0.00 0.21 -0.30 119.26 125.83 1aa6 h ALA 369 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1aa6 h ALA 369 Cb 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1aa6 h ALA 369 CO 0.04 0.09 0.00 0.91 0.00 0.00 0.00 179.25 180.29 1aa6 n TRP 370 N -4.67 0.04 -3.45 0.00 8.01 0.10 -4.93 117.44 112.54 1aa6 n TRP 370 Ca 0.21 -0.02 -0.17 0.00 -1.31 0.00 0.00 57.50 56.20 1aa6 n TRP 370 Cb 0.45 0.00 0.08 0.00 -2.01 0.00 0.00 31.31 29.84 1aa6 n TRP 370 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1aa6 n GLY 371 N 1.09 -0.37 3.08 6.99 0.00 -0.12 -5.02 105.19 110.85 1aa6 n GLY 371 Ca 0.19 0.11 -0.17 0.00 0.00 0.00 0.00 46.02 46.16 1aa6 n GLY 371 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aa6 s VAL 372 N -3.39 0.77 0.03 1.61 1.01 -0.07 -5.04 120.40 115.32 1aa6 s VAL 372 Ca 0.01 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 60.82 1aa6 s VAL 372 Cb -0.00 -0.75 -0.17 0.00 0.00 0.00 0.00 36.38 35.46 1aa6 s VAL 372 CO 0.74 -0.13 1.38 -0.33 0.00 0.00 0.00 175.10 176.75 1aa6 h GLU 373 N 4.93 -0.42 -4.28 2.72 5.08 -1.95 -3.39 114.58 117.26 1aa6 h GLU 373 Ca -0.36 0.03 -0.26 0.00 -1.00 0.00 0.00 59.36 57.77 1aa6 h GLU 373 Cb 1.19 0.09 -0.24 0.00 0.50 0.00 0.00 28.75 30.30 1aa6 h GLU 373 CO 0.44 -0.14 -0.73 0.45 -1.00 0.00 0.00 179.01 178.03 1aa6 s SER 374 N -4.99 0.57 -0.05 1.42 0.15 -1.26 -4.96 113.70 104.58 1aa6 s SER 374 Ca -0.15 -0.34 0.06 0.00 0.70 0.00 0.00 55.95 56.22 1aa6 s SER 374 Cb 0.03 0.01 -0.01 0.00 -1.71 0.00 0.00 66.02 64.34 1aa6 s SER 374 CO 0.58 -0.12 -0.24 -0.76 1.20 0.00 0.00 173.24 173.90 1aa6 s LEU 375 N -0.95 2.04 0.52 3.45 1.43 -1.26 -5.00 118.68 118.91 1aa6 s LEU 375 Ca -0.06 -0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 52.35 1aa6 s LEU 375 Cb -0.06 -1.29 -0.08 0.00 0.03 0.00 0.00 46.19 44.78 1aa6 s LEU 375 CO -0.00 0.23 0.81 -0.81 0.23 0.00 0.00 176.35 176.81 1aa6 n PRO 376 N 2.96 0.88 -0.00 1.29 -0.04 -1.26 -4.94 135.00 133.89 1aa6 n PRO 376 Ca -0.17 0.33 0.04 0.00 -0.04 0.00 0.00 63.50 63.66 1aa6 n PRO 376 Cb 0.52 -1.93 -0.06 0.00 -0.04 0.00 0.00 33.50 31.99 1aa6 n PRO 376 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aa6 n ALA 377 N -1.28 2.60 -2.51 0.55 0.00 -1.26 -4.91 120.51 113.69 1aa6 n ALA 377 Ca 0.12 -0.21 -0.37 0.00 0.00 0.00 0.00 53.44 52.98 1aa6 n ALA 377 Cb 0.44 -0.28 -0.06 0.00 0.00 0.00 0.00 19.45 19.55 1aa6 n ALA 377 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1aa6 s HIS 378 N -2.23 3.69 0.45 0.00 -3.43 -1.26 -4.10 115.29 108.41 1aa6 s HIS 378 Ca -0.01 0.94 -0.24 0.00 -0.80 0.00 0.00 55.06 54.96 1aa6 s HIS 378 Cb 0.06 -2.26 -0.09 0.00 -1.43 0.00 0.00 32.58 28.85 1aa6 s HIS 378 CO 0.33 0.60 1.09 2.41 -2.00 0.00 0.00 174.74 177.18 1aa6 n THR 379 N 1.54 2.70 -2.44 -5.38 -1.04 -1.26 -4.59 114.28 103.82 1aa6 n THR 379 Ca -0.12 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.05 61.14 1aa6 n THR 379 Cb 0.52 -1.29 0.11 0.00 -1.82 0.00 0.00 70.33 67.85 1aa6 n THR 379 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1aa6 s GLY 380 N -0.76 1.76 0.44 3.41 0.00 -0.83 -4.90 107.32 106.45 1aa6 s GLY 380 Ca 0.65 -1.52 -0.22 0.00 0.00 0.00 0.00 44.72 43.63 1aa6 s GLY 380 CO 0.55 -0.96 1.00 -0.19 0.00 0.00 0.00 173.10 173.50 1aa6 s TYR 381 N -3.25 3.21 0.10 1.90 2.02 -1.26 -4.83 117.35 115.24 1aa6 s TYR 381 Ca 0.66 1.62 -0.15 0.00 -0.37 0.00 0.00 57.07 58.83 1aa6 s TYR 381 Cb -0.06 -2.98 -0.07 0.00 -0.40 0.00 0.00 41.96 38.46 1aa6 s TYR 381 CO 0.45 -0.44 0.51 1.03 -1.57 0.00 0.00 175.55 175.54 1aa6 s ARG 382 N -3.01 3.99 0.54 -0.62 0.52 -1.26 -4.44 118.95 114.67 1aa6 s ARG 382 Ca 0.63 0.49 0.24 0.00 -0.52 0.00 0.00 55.73 56.57 1aa6 s ARG 382 Cb -0.14 -3.04 1.43 0.00 0.52 0.00 0.00 34.95 33.71 1aa6 s ARG 382 CO 0.19 0.55 2.04 0.97 0.02 0.00 0.00 175.30 179.07 1aa6 h ILE 383 N 3.09 0.72 0.00 1.52 6.09 -1.89 0.25 117.51 127.29 1aa6 h ILE 383 Ca -0.49 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 62.97 1aa6 h ILE 383 Cb 1.20 0.80 -0.00 0.00 0.47 0.00 0.00 36.82 39.29 1aa6 h ILE 383 CO 0.65 0.00 -0.14 0.77 -3.07 0.00 0.00 178.15 176.36 1aa6 h SER 384 N 0.00 0.00 -0.09 2.19 4.64 -1.93 -2.00 113.55 116.35 1aa6 h SER 384 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1aa6 h SER 384 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1aa6 h SER 384 CO -0.00 0.14 0.00 -0.62 -0.87 0.00 0.00 176.83 175.48 1aa6 n GLU 385 N -3.67 1.40 0.13 4.77 1.02 0.89 -4.53 120.64 120.66 1aa6 n GLU 385 Ca -0.02 -0.60 -0.14 0.00 -0.02 0.00 0.00 57.16 56.38 1aa6 n GLU 385 Cb 0.26 -1.34 -0.07 0.00 -0.02 0.00 0.00 31.44 30.28 1aa6 n GLU 385 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1aa6 h LEU 386 N 1.20 -1.03 -0.44 -4.62 5.85 -1.44 -1.13 115.31 113.70 1aa6 h LEU 386 Ca 0.00 0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.92 1aa6 h LEU 386 Cb 0.26 0.38 -0.10 0.00 0.37 0.00 0.00 40.66 41.58 1aa6 h LEU 386 CO 0.00 -0.45 -0.29 -0.65 -0.34 0.00 0.00 178.44 176.71 1aa6 h PRO 387 N -0.61 -0.19 -0.33 5.25 0.11 -1.84 0.29 132.00 134.66 1aa6 h PRO 387 Ca 0.02 0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.18 1aa6 h PRO 387 Cb 0.63 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.74 1aa6 h PRO 387 CO -0.19 -0.13 0.12 1.25 -0.21 0.00 0.00 178.00 178.84 1aa6 h HIS 388 N -0.20 0.22 -0.18 0.65 -0.00 -1.84 0.43 115.15 114.22 1aa6 h HIS 388 Ca 0.19 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.49 1aa6 h HIS 388 Cb 0.52 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.86 1aa6 h HIS 388 CO -0.53 0.10 -0.28 0.00 -0.00 0.00 0.00 177.93 177.22 1aa6 h ARG 389 N 0.27 0.34 -0.19 5.26 2.47 -0.37 -2.36 114.38 119.79 1aa6 h ARG 389 Ca 0.15 -0.13 -0.21 0.00 -1.26 0.00 0.00 59.98 58.53 1aa6 h ARG 389 Cb 0.12 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.42 1aa6 h ARG 389 CO -0.15 0.60 -0.70 0.00 0.56 0.00 0.00 179.97 180.28 1aa6 h ALA 390 N 1.41 0.38 -0.55 0.04 0.00 0.09 0.39 119.26 121.02 1aa6 h ALA 390 Ca 0.04 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1aa6 h ALA 390 Cb 0.65 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1aa6 h ALA 390 CO 0.05 0.69 0.21 0.00 0.00 0.00 0.00 179.25 180.19 1aa6 h ALA 391 N 0.63 0.72 -0.22 0.00 0.00 -0.81 -2.93 119.26 116.64 1aa6 h ALA 391 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1aa6 h ALA 391 Cb 1.32 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1aa6 h ALA 391 CO 0.15 0.34 0.00 0.72 0.00 0.00 0.00 179.25 180.45 1aa6 n HIS 392 N -4.50 0.29 -1.35 0.00 -0.00 -0.90 -4.92 115.22 103.84 1aa6 n HIS 392 Ca 0.03 -0.15 -0.12 0.00 -0.00 0.00 0.00 57.72 57.48 1aa6 n HIS 392 Cb 0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.11 1aa6 n HIS 392 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1aa6 n GLY 393 N 0.95 1.32 0.11 -1.41 0.00 -1.11 -4.92 105.19 100.14 1aa6 n GLY 393 Ca 0.11 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 1aa6 n GLY 393 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1aa6 h GLU 394 N 0.00 0.26 -5.17 1.61 5.08 -0.52 -3.44 114.58 112.41 1aa6 h GLU 394 Ca -0.25 -0.45 -0.67 0.00 -1.00 0.00 0.00 59.36 56.99 1aa6 h GLU 394 Cb 0.80 0.17 -0.31 0.00 0.50 0.00 0.00 28.75 29.91 1aa6 h GLU 394 CO 0.37 1.14 -0.81 0.08 -1.00 0.00 0.00 179.01 178.78 1aa6 s VAL 395 N -2.62 2.59 -0.44 3.13 1.01 -0.79 -4.19 120.40 119.09 1aa6 s VAL 395 Ca -0.09 -0.79 0.21 0.00 0.00 0.00 0.00 61.98 61.31 1aa6 s VAL 395 Cb 0.07 -2.09 -0.28 0.00 0.00 0.00 0.00 36.38 34.07 1aa6 s VAL 395 CO 0.86 0.52 0.64 0.54 0.00 0.00 0.00 175.10 177.66 1aa6 n ARG 396 N 4.15 0.46 -3.82 2.72 5.12 0.46 -4.29 116.66 121.46 1aa6 n ARG 396 Ca -0.19 -0.11 -0.12 0.00 -1.93 0.00 0.00 57.85 55.50 1aa6 n ARG 396 Cb 0.51 -1.49 -0.12 0.00 -1.16 0.00 0.00 32.46 30.21 1aa6 n ARG 396 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1aa6 s ALA 397 N -3.24 -0.41 -0.12 7.54 0.00 -0.74 -0.58 121.76 124.20 1aa6 s ALA 397 Ca -0.01 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.39 1aa6 s ALA 397 Cb 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 23.03 1aa6 s ALA 397 CO 0.86 -0.10 -0.20 0.00 0.00 0.00 0.00 175.76 176.32 1aa6 s ALA 398 N -0.09 2.31 -0.62 0.00 0.00 -0.27 -0.84 121.76 122.26 1aa6 s ALA 398 Ca -0.02 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.94 1aa6 s ALA 398 Cb -0.02 -0.97 0.16 0.00 0.00 0.00 0.00 23.12 22.29 1aa6 s ALA 398 CO 0.00 0.19 0.43 -0.47 0.00 0.00 0.00 175.76 175.91 1aa6 s TYR 399 N 0.47 3.39 -0.36 0.00 6.14 0.18 -1.24 117.35 125.93 1aa6 s TYR 399 Ca -0.14 -2.76 -0.18 0.00 0.64 0.00 0.00 57.07 54.64 1aa6 s TYR 399 Cb -0.17 -3.17 -0.00 0.00 0.42 0.00 0.00 41.96 39.04 1aa6 s TYR 399 CO 0.06 -0.83 0.48 0.42 0.64 0.00 0.00 175.55 176.32 1aa6 s ILE 400 N -0.09 5.04 -0.13 3.14 1.01 -0.14 -2.06 121.20 127.96 1aa6 s ILE 400 Ca 0.17 0.19 0.01 0.00 0.00 0.00 0.00 60.65 61.02 1aa6 s ILE 400 Cb -0.21 -3.96 -0.00 0.00 0.01 0.00 0.00 42.46 38.30 1aa6 s ILE 400 CO -0.03 -0.24 -0.17 -0.32 0.00 0.00 0.00 174.94 174.17 1aa6 s MET 401 N 2.32 3.21 -1.48 2.79 -2.45 -1.26 -0.56 119.30 121.86 1aa6 s MET 401 Ca 0.17 -0.77 -0.11 0.00 -1.25 0.00 0.00 55.69 53.72 1aa6 s MET 401 Cb -0.16 -2.53 0.06 0.00 1.25 0.00 0.00 34.83 33.46 1aa6 s MET 401 CO 0.13 0.12 0.97 0.41 1.05 0.00 0.00 175.02 177.70 1aa6 n GLY 402 N 3.76 -0.47 3.06 2.11 0.00 0.22 -4.37 105.19 109.49 1aa6 n GLY 402 Ca -0.19 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1aa6 n GLY 402 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aa6 s GLU 403 N -6.48 0.47 -0.46 1.61 2.02 -1.26 -4.57 118.70 110.03 1aa6 s GLU 403 Ca 0.55 -0.75 0.09 0.00 0.02 0.00 0.00 54.97 54.88 1aa6 s GLU 403 Cb -0.27 0.18 0.35 0.00 0.10 0.00 0.00 34.13 34.49 1aa6 s GLU 403 CO 0.81 -0.10 0.84 -3.47 0.02 0.00 0.00 175.26 173.37 1aa6 n ASP 404 N 1.05 2.57 0.13 -0.19 2.03 -1.26 -4.93 116.55 115.95 1aa6 n ASP 404 Ca -0.20 -3.32 0.16 0.00 0.52 0.00 0.00 54.79 51.95 1aa6 n ASP 404 Cb 0.57 -0.59 0.73 0.00 -0.72 0.00 0.00 41.12 41.11 1aa6 n ASP 404 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1aa6 h PRO 405 N 2.98 0.00 -0.77 -0.67 0.13 -1.98 0.20 132.00 131.89 1aa6 h PRO 405 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1aa6 h PRO 405 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1aa6 h PRO 405 CO 0.65 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.70 1aa6 n LEU 406 N -4.21 0.77 0.00 1.56 4.77 -1.26 -1.58 117.00 117.05 1aa6 n LEU 406 Ca 0.04 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1aa6 n LEU 406 Cb 0.39 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1aa6 n LEU 406 CO 0.33 0.19 0.00 1.67 -1.33 0.00 0.00 177.39 178.25 1aa6 n GLN 407 N -0.08 0.00 -0.03 3.23 -0.06 -0.22 -4.59 117.38 115.63 1aa6 n GLN 407 Ca 0.00 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.05 1aa6 n GLN 407 Cb 0.19 -0.42 -0.15 0.00 -4.06 0.00 0.00 30.24 25.80 1aa6 n GLN 407 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1aa6 n THR 408 N -1.16 0.29 -1.80 1.69 -2.24 0.53 -4.99 114.28 106.60 1aa6 n THR 408 Ca 0.00 -0.52 -0.31 0.00 -2.27 0.00 0.00 64.05 60.95 1aa6 n THR 408 Cb 0.00 -0.08 0.02 0.00 -2.10 0.00 0.00 70.33 68.17 1aa6 n THR 408 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1aa6 s ASP 409 N -4.45 5.85 0.45 3.42 1.01 -0.61 -4.99 116.67 117.34 1aa6 s ASP 409 Ca -0.07 1.55 -0.24 0.00 0.71 0.00 0.00 52.55 54.50 1aa6 s ASP 409 Cb 0.11 -2.49 -0.08 0.00 1.01 0.00 0.00 42.92 41.47 1aa6 s ASP 409 CO 0.78 -1.12 1.20 0.00 0.21 0.00 0.00 175.17 176.24 1aa6 s ALA 410 N -3.01 3.04 -1.33 5.23 0.00 -1.26 -3.57 121.76 120.87 1aa6 s ALA 410 Ca 0.57 1.02 -0.08 0.00 0.00 0.00 0.00 51.96 53.47 1aa6 s ALA 410 Cb -0.13 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1aa6 s ALA 410 CO 0.51 -0.71 0.51 -1.91 0.00 0.00 0.00 175.76 174.16 1aa6 n GLU 411 N -0.32 -2.44 -0.27 0.00 2.13 -1.26 -4.73 120.64 113.76 1aa6 n GLU 411 Ca 0.06 0.38 0.21 0.00 0.66 0.00 0.00 57.16 58.47 1aa6 n GLU 411 Cb 0.47 -4.24 0.32 0.00 0.27 0.00 0.00 31.44 28.26 1aa6 n GLU 411 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1aa6 n LEU 412 N -4.40 0.02 0.13 4.31 4.77 -1.23 0.29 117.00 120.88 1aa6 n LEU 412 Ca -0.24 0.46 0.10 0.00 -0.03 0.00 0.00 56.01 56.29 1aa6 n LEU 412 Cb 0.65 -0.23 0.59 0.00 -2.33 0.00 0.00 43.42 42.11 1aa6 n LEU 412 CO 0.73 -0.47 1.12 0.77 -1.33 0.00 0.00 177.39 178.22 1aa6 h SER 413 N 0.00 0.13 -0.09 -1.43 4.64 -1.93 -0.97 113.55 113.90 1aa6 h SER 413 Ca 0.38 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1aa6 h SER 413 Cb 1.46 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1aa6 h SER 413 CO -0.06 0.09 0.06 0.00 -0.87 0.00 0.00 176.83 176.06 1aa6 h ALA 414 N 1.87 0.12 0.00 5.18 0.00 -0.45 -1.99 119.26 123.98 1aa6 h ALA 414 Ca 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1aa6 h ALA 414 Cb 0.22 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1aa6 h ALA 414 CO -0.02 -0.39 -0.11 0.28 0.00 0.00 0.00 179.25 179.01 1aa6 h VAL 415 N 0.12 0.27 -0.37 0.00 2.07 -1.40 -2.05 116.25 114.90 1aa6 h VAL 415 Ca 0.03 -0.81 -0.16 0.00 0.82 0.00 0.00 66.70 66.58 1aa6 h VAL 415 Cb -0.01 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1aa6 h VAL 415 CO -0.01 0.11 -0.41 0.03 0.02 0.00 0.00 177.57 177.31 1aa6 h ARG 416 N 0.00 0.91 0.00 1.57 3.08 -0.72 -1.87 114.38 117.35 1aa6 h ARG 416 Ca -0.00 -0.49 -0.14 0.00 0.07 0.00 0.00 59.98 59.41 1aa6 h ARG 416 Cb 0.63 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1aa6 h ARG 416 CO 0.01 1.14 -0.67 -0.22 -1.07 0.00 0.00 179.97 179.16 1aa6 h LYS 417 N 0.74 0.00 -0.12 0.04 3.64 -0.89 -1.97 116.57 118.01 1aa6 h LYS 417 Ca 0.05 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1aa6 h LYS 417 Cb 1.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1aa6 h LYS 417 CO 0.10 0.67 0.05 0.00 -2.27 0.00 0.00 179.45 178.00 1aa6 h ALA 418 N 1.33 0.15 -0.91 5.00 0.00 -1.29 0.75 119.26 124.28 1aa6 h ALA 418 Ca -0.01 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.95 1aa6 h ALA 418 Cb 1.32 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1aa6 h ALA 418 CO 0.09 -0.28 0.59 0.74 0.00 0.00 0.00 179.25 180.39 1aa6 h PHE 419 N 0.05 0.92 -0.10 0.00 -1.00 -1.17 0.48 116.94 116.12 1aa6 h PHE 419 Ca 0.04 0.03 -0.14 0.00 2.81 0.00 0.00 57.97 60.70 1aa6 h PHE 419 Cb 0.14 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.40 1aa6 h PHE 419 CO -0.02 0.36 -0.56 1.49 -1.61 0.00 0.00 178.31 177.97 1aa6 h GLU 420 N 0.79 0.31 0.00 1.51 4.81 -0.51 -3.20 114.58 118.30 1aa6 h GLU 420 Ca 0.45 -0.20 -0.17 0.00 -0.13 0.00 0.00 59.36 59.32 1aa6 h GLU 420 Cb 0.61 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1aa6 h GLU 420 CO -0.21 0.79 -0.87 -0.44 -0.73 0.00 0.00 179.01 177.54 1aa6 h ASP 421 N 0.24 0.00 -4.08 1.04 3.32 0.41 -3.46 116.42 113.89 1aa6 h ASP 421 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.56 1aa6 h ASP 421 Cb 1.05 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.66 1aa6 h ASP 421 CO 0.09 0.74 0.42 -0.76 -1.72 0.00 0.00 179.24 178.02 1aa6 s LEU 422 N -6.48 3.78 0.12 1.55 1.43 0.13 -4.91 118.68 114.31 1aa6 s LEU 422 Ca 0.02 2.13 -0.01 0.00 -1.03 0.00 0.00 54.13 55.24 1aa6 s LEU 422 Cb 0.09 -4.57 -0.14 0.00 0.03 0.00 0.00 46.19 41.60 1aa6 s LEU 422 CO 0.79 -1.12 1.27 -0.33 0.23 0.00 0.00 176.35 177.18 1aa6 h GLU 423 N 1.30 0.25 -3.15 1.70 5.08 -1.15 -3.46 114.58 115.14 1aa6 h GLU 423 Ca -0.50 -0.33 -0.22 0.00 -1.00 0.00 0.00 59.36 57.31 1aa6 h GLU 423 Cb 1.25 0.11 -0.31 0.00 0.50 0.00 0.00 28.75 30.31 1aa6 h GLU 423 CO 0.57 1.08 -0.54 -1.17 -1.00 0.00 0.00 179.01 177.96 1aa6 s LEU 424 N -7.32 0.62 -0.10 1.33 2.96 -1.13 -5.05 118.68 109.99 1aa6 s LEU 424 Ca -0.03 0.40 0.01 0.00 -0.22 0.00 0.00 54.13 54.29 1aa6 s LEU 424 Cb 0.09 0.54 0.02 0.00 0.50 0.00 0.00 46.19 47.34 1aa6 s LEU 424 CO 0.86 -0.15 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.92 1aa6 s VAL 425 N 1.15 1.27 -0.12 1.68 1.01 -1.26 -1.11 120.40 123.02 1aa6 s VAL 425 Ca -0.09 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1aa6 s VAL 425 Cb -0.10 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 1aa6 s VAL 425 CO -0.07 0.40 -0.10 -0.63 0.00 0.00 0.00 175.10 174.70 1aa6 s ILE 426 N 1.19 3.37 -0.13 2.22 1.01 -0.38 -1.33 121.20 127.15 1aa6 s ILE 426 Ca -0.04 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.06 1aa6 s ILE 426 Cb -0.14 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 39.93 1aa6 s ILE 426 CO -0.03 0.53 -0.14 -0.69 0.00 0.00 0.00 174.94 174.61 1aa6 s VAL 427 N 0.13 1.49 -0.29 2.92 1.01 -0.20 -0.97 120.40 124.50 1aa6 s VAL 427 Ca -0.05 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1aa6 s VAL 427 Cb -0.14 -1.40 0.05 0.00 0.00 0.00 0.00 36.38 34.89 1aa6 s VAL 427 CO 0.04 0.44 -0.03 -1.58 0.00 0.00 0.00 175.10 173.98 1aa6 s GLN 428 N 1.38 2.41 0.35 2.72 0.74 0.27 -1.28 119.66 126.25 1aa6 s GLN 428 Ca 0.02 -1.27 -0.02 0.00 0.05 0.00 0.00 55.36 54.14 1aa6 s GLN 428 Cb -0.13 -3.11 0.01 0.00 1.10 0.00 0.00 33.01 30.87 1aa6 s GLN 428 CO -0.08 -0.60 0.48 -3.47 -0.55 0.00 0.00 175.29 171.07 1aa6 n ASP 429 N 4.59 -1.35 -0.01 6.67 -0.08 -1.15 -0.61 116.55 124.61 1aa6 n ASP 429 Ca -0.13 -2.91 0.09 0.00 -1.51 0.00 0.00 54.79 50.33 1aa6 n ASP 429 Cb 0.43 2.52 -0.13 0.00 2.34 0.00 0.00 41.12 46.29 1aa6 n ASP 429 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1aa6 n ILE 430 N -0.58 0.00 -4.12 5.18 -0.00 -1.26 -2.39 119.36 116.19 1aa6 n ILE 430 Ca 0.01 -0.30 -0.10 0.00 -0.00 0.00 0.00 62.75 62.35 1aa6 n ILE 430 Cb 0.59 0.39 -0.10 0.00 -0.00 0.00 0.00 39.64 40.52 1aa6 n ILE 430 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 1aa6 s PHE 431 N -3.06 0.75 -1.11 1.39 0.08 -1.26 -0.77 117.98 113.98 1aa6 s PHE 431 Ca -0.02 -0.83 -0.19 0.00 0.12 0.00 0.00 56.93 56.01 1aa6 s PHE 431 Cb 0.12 -0.45 0.09 0.00 -0.57 0.00 0.00 43.02 42.21 1aa6 s PHE 431 CO 0.75 -0.18 1.48 1.41 -0.10 0.00 0.00 175.22 178.58 1aa6 s MET 432 N -3.22 3.78 0.90 0.44 -2.45 -0.77 -4.75 119.30 113.22 1aa6 s MET 432 Ca 0.05 -1.70 -0.14 0.00 -1.25 0.00 0.00 55.69 52.65 1aa6 s MET 432 Cb 0.02 -5.30 0.16 0.00 1.25 0.00 0.00 34.83 30.96 1aa6 s MET 432 CO -0.04 -2.09 1.25 0.95 1.05 0.00 0.00 175.02 176.14 1aa6 s THR 433 N 3.89 2.02 0.22 10.11 -4.23 -1.26 -4.79 115.64 121.59 1aa6 s THR 433 Ca 0.46 -0.05 -0.06 0.00 -1.18 0.00 0.00 61.69 60.86 1aa6 s THR 433 Cb -0.00 -2.97 0.08 0.00 1.34 0.00 0.00 72.50 70.94 1aa6 s THR 433 CO -0.03 0.00 1.68 0.11 -0.54 0.00 0.00 174.62 175.84 1aa6 h LYS 434 N -1.38 0.91 -0.27 3.99 1.57 -1.93 -1.17 116.57 118.30 1aa6 h LYS 434 Ca -0.44 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.04 1aa6 h LYS 434 Cb 1.26 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1aa6 h LYS 434 CO 0.46 0.94 0.14 1.15 -0.57 0.00 0.00 179.45 181.57 1aa6 h THR 435 N 0.83 1.13 -0.94 -0.16 2.02 -1.89 -2.91 112.91 110.99 1aa6 h THR 435 Ca 0.14 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1aa6 h THR 435 Cb 0.57 0.88 -0.05 0.00 -1.74 0.00 0.00 68.15 67.82 1aa6 h THR 435 CO 0.03 0.14 0.59 0.00 0.37 0.00 0.00 175.52 176.65 1aa6 h ALA 436 N 1.01 1.19 0.00 6.16 0.00 -1.82 -1.96 119.26 123.84 1aa6 h ALA 436 Ca 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aa6 h ALA 436 Cb 0.09 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1aa6 h ALA 436 CO -0.01 0.62 -0.01 0.66 0.00 0.00 0.00 179.25 180.51 1aa6 h SER 437 N 1.28 0.00 0.14 0.00 4.64 -1.03 -2.41 113.55 116.17 1aa6 h SER 437 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1aa6 h SER 437 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1aa6 h SER 437 CO -0.07 0.01 -0.37 0.00 -0.87 0.00 0.00 176.83 175.53 1aa6 n ALA 438 N -2.11 3.33 -1.25 5.18 0.00 -0.75 -4.99 120.51 119.92 1aa6 n ALA 438 Ca -0.02 -0.50 -0.29 0.00 0.00 0.00 0.00 53.44 52.63 1aa6 n ALA 438 Cb 0.18 -0.99 0.16 0.00 0.00 0.00 0.00 19.45 18.80 1aa6 n ALA 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aa6 s ALA 439 N -2.52 1.28 -0.15 0.00 0.00 -0.91 -5.00 121.76 114.46 1aa6 s ALA 439 Ca 0.21 -0.31 0.16 0.00 0.00 0.00 0.00 51.96 52.03 1aa6 s ALA 439 Cb 0.19 -3.12 -0.24 0.00 0.00 0.00 0.00 23.12 19.94 1aa6 s ALA 439 CO 0.56 -2.58 0.25 -0.25 0.00 0.00 0.00 175.76 173.74 1aa6 n ASP 440 N -4.01 0.26 -3.73 0.00 8.00 -0.44 -4.68 116.55 111.95 1aa6 n ASP 440 Ca 0.06 0.12 -0.13 0.00 0.71 0.00 0.00 54.79 55.56 1aa6 n ASP 440 Cb 0.57 0.69 -0.13 0.00 -0.02 0.00 0.00 41.12 42.23 1aa6 n ASP 440 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1aa6 s VAL 441 N -2.54 -0.05 -0.15 2.53 0.11 -1.00 0.53 120.40 119.83 1aa6 s VAL 441 Ca -0.08 0.16 -0.05 0.00 -2.93 0.00 0.00 61.98 59.07 1aa6 s VAL 441 Cb 0.07 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.53 1aa6 s VAL 441 CO 0.83 0.07 0.02 -0.63 -3.33 0.00 0.00 175.10 172.06 1aa6 s ILE 442 N 1.28 4.45 -0.26 7.04 -1.09 -0.15 -1.04 121.20 131.43 1aa6 s ILE 442 Ca -0.09 -0.17 0.02 0.00 -2.23 0.00 0.00 60.65 58.19 1aa6 s ILE 442 Cb -0.11 -2.96 0.07 0.00 -1.58 0.00 0.00 42.46 37.88 1aa6 s ILE 442 CO -0.08 0.51 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.32 1aa6 s LEU 443 N 0.05 3.27 0.07 2.97 1.43 -0.40 -1.90 118.68 124.15 1aa6 s LEU 443 Ca 0.03 -1.44 -0.30 0.00 -1.03 0.00 0.00 54.13 51.39 1aa6 s LEU 443 Cb -0.13 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.65 1aa6 s LEU 443 CO 0.02 -0.24 1.02 -2.16 0.23 0.00 0.00 176.35 175.21 1aa6 s PRO 444 N 1.20 4.59 0.45 1.29 0.04 -1.26 -2.95 135.00 138.37 1aa6 s PRO 444 Ca -0.04 1.51 0.05 0.00 0.04 0.00 0.00 61.00 62.56 1aa6 s PRO 444 Cb -0.19 -3.40 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 1aa6 s PRO 444 CO -0.07 0.02 0.08 -1.54 0.04 0.00 0.00 177.00 175.54 1aa6 s SER 445 N 0.55 4.15 0.74 6.66 1.04 -1.00 -3.88 113.70 121.97 1aa6 s SER 445 Ca 0.51 -1.37 -0.11 0.00 0.48 0.00 0.00 55.95 55.46 1aa6 s SER 445 Cb -0.24 -0.07 0.04 0.00 0.10 0.00 0.00 66.02 65.84 1aa6 s SER 445 CO 0.30 -0.65 1.08 0.42 0.98 0.00 0.00 173.24 175.36 1aa6 s THR 446 N -2.74 3.62 0.44 2.02 -4.23 -0.85 -4.69 115.64 109.22 1aa6 s THR 446 Ca 0.28 0.53 0.07 0.00 -1.18 0.00 0.00 61.69 61.38 1aa6 s THR 446 Cb 0.05 -3.16 -0.02 0.00 1.34 0.00 0.00 72.50 70.71 1aa6 s THR 446 CO 0.15 -0.69 0.30 -0.55 -0.54 0.00 0.00 174.62 173.29 1aa6 s SER 447 N -3.63 4.72 0.23 3.99 0.15 -1.26 -4.81 113.70 113.10 1aa6 s SER 447 Ca 0.60 -0.97 -0.16 0.00 0.70 0.00 0.00 55.95 56.11 1aa6 s SER 447 Cb -0.15 -0.35 0.26 0.00 -1.71 0.00 0.00 66.02 64.06 1aa6 s SER 447 CO 0.55 -0.69 1.56 -0.25 1.20 0.00 0.00 173.24 175.61 1aa6 h TRP 448 N 1.14 -1.00 0.00 3.44 7.01 -1.91 -1.39 115.95 123.24 1aa6 h TRP 448 Ca -0.41 0.10 0.00 0.00 2.11 0.00 0.00 58.89 60.69 1aa6 h TRP 448 Cb 1.27 0.58 0.00 0.00 -2.10 0.00 0.00 29.16 28.91 1aa6 h TRP 448 CO 0.65 -0.41 0.00 0.41 -2.79 0.00 0.00 178.44 176.30 1aa6 n GLY 449 N -1.49 -1.24 1.11 2.65 0.00 -1.26 -3.21 105.19 101.75 1aa6 n GLY 449 Ca 0.11 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1aa6 n GLY 449 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1aa6 n GLU 450 N -1.53 2.44 -3.89 1.61 1.02 -0.53 -1.12 120.64 118.65 1aa6 n GLU 450 Ca 0.05 -2.18 -0.10 0.00 -0.02 0.00 0.00 57.16 54.91 1aa6 n GLU 450 Cb 0.25 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1aa6 n GLU 450 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1aa6 s HIS 451 N -1.51 0.28 0.42 -0.32 -3.43 -1.20 -4.70 115.29 104.83 1aa6 s HIS 451 Ca 0.38 -0.80 0.03 0.00 -0.80 0.00 0.00 55.06 53.87 1aa6 s HIS 451 Cb 0.22 0.57 -0.01 0.00 -1.43 0.00 0.00 32.58 31.94 1aa6 s HIS 451 CO 0.31 -1.38 0.09 -0.85 -2.00 0.00 0.00 174.74 170.91 1aa6 n GLU 452 N -0.51 0.68 0.00 -0.38 0.28 -1.26 -3.55 120.64 115.89 1aa6 n GLU 452 Ca -0.05 -3.39 0.00 0.00 -0.16 0.00 0.00 57.16 53.56 1aa6 n GLU 452 Cb 0.60 1.50 0.00 0.00 1.43 0.00 0.00 31.44 34.97 1aa6 n GLU 452 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1aa6 n GLY 453 N -0.71 -0.34 3.07 -1.84 0.00 -1.04 -4.91 105.19 99.42 1aa6 n GLY 453 Ca -0.11 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 1aa6 n GLY 453 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aa6 s VAL 454 N -4.00 0.06 0.16 1.61 1.01 -1.26 -2.10 120.40 115.87 1aa6 s VAL 454 Ca 0.00 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.56 1aa6 s VAL 454 Cb 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1aa6 s VAL 454 CO 0.00 -0.27 -0.15 -0.36 0.00 0.00 0.00 175.10 174.33 1aa6 s PHE 455 N -0.91 1.58 -0.18 5.22 0.08 -0.16 -1.19 117.98 122.42 1aa6 s PHE 455 Ca -0.10 -0.56 -0.01 0.00 0.12 0.00 0.00 56.93 56.38 1aa6 s PHE 455 Cb -0.06 -0.79 -0.00 0.00 -0.57 0.00 0.00 43.02 41.60 1aa6 s PHE 455 CO 0.01 0.24 -0.12 0.99 -0.10 0.00 0.00 175.22 176.24 1aa6 s THR 456 N -2.44 2.87 1.05 0.64 2.01 -1.26 -0.88 115.64 117.63 1aa6 s THR 456 Ca 0.15 -0.68 -0.15 0.00 0.31 0.00 0.00 61.69 61.32 1aa6 s THR 456 Cb -0.03 -2.25 0.21 0.00 0.01 0.00 0.00 72.50 70.44 1aa6 s THR 456 CO 0.05 0.49 1.13 0.00 -0.69 0.00 0.00 174.62 175.59 1aa6 s ALA 457 N 1.08 1.09 0.48 7.40 0.00 -0.01 -3.87 121.76 127.94 1aa6 s ALA 457 Ca 0.00 -0.66 0.32 0.00 0.00 0.00 0.00 51.96 51.62 1aa6 s ALA 457 Cb -0.15 -3.00 1.42 0.00 0.00 0.00 0.00 23.12 21.40 1aa6 s ALA 457 CO -0.03 -2.95 1.74 0.00 0.00 0.00 0.00 175.76 174.52 1aa6 h ALA 458 N -2.03 2.88 -0.74 0.00 0.00 -1.50 -0.98 119.26 116.89 1aa6 h ALA 458 Ca -0.50 0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.09 1aa6 h ALA 458 Cb 1.31 0.10 -0.20 0.00 0.00 0.00 0.00 17.79 19.00 1aa6 h ALA 458 CO 0.50 -1.31 0.34 -0.40 0.00 0.00 0.00 179.25 178.38 1aa6 n ASP 459 N -4.37 3.74 -1.04 0.00 5.68 -1.26 -4.33 116.55 114.97 1aa6 n ASP 459 Ca 0.29 -3.52 -0.12 0.00 -0.50 0.00 0.00 54.79 50.95 1aa6 n ASP 459 Cb 1.25 -0.75 -0.04 0.00 -1.14 0.00 0.00 41.12 40.44 1aa6 n ASP 459 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1aa6 n ARG 460 N -0.85 -0.87 -2.90 0.11 1.85 -0.37 -4.83 116.66 108.80 1aa6 n ARG 460 Ca 0.47 0.84 -0.43 0.00 -1.00 0.00 0.00 57.85 57.73 1aa6 n ARG 460 Cb 1.41 -4.90 -0.05 0.00 -1.05 0.00 0.00 32.46 27.87 1aa6 n ARG 460 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1aa6 s GLY 461 N -2.77 1.51 0.30 2.89 0.00 -1.24 -2.32 107.32 105.69 1aa6 s GLY 461 Ca 0.00 -1.10 -0.29 0.00 0.00 0.00 0.00 44.72 43.33 1aa6 s GLY 461 CO 0.00 1.92 1.34 -1.36 0.00 0.00 0.00 173.10 175.00 1aa6 s PHE 462 N 3.60 3.06 -0.04 1.90 0.08 0.21 -0.83 117.98 125.96 1aa6 s PHE 462 Ca 0.31 1.31 -0.09 0.00 0.12 0.00 0.00 56.93 58.57 1aa6 s PHE 462 Cb -0.12 -3.71 0.01 0.00 -0.57 0.00 0.00 43.02 38.63 1aa6 s PHE 462 CO 0.21 -2.05 0.22 -0.65 -0.10 0.00 0.00 175.22 172.85 1aa6 s GLN 463 N -1.31 0.45 0.07 0.44 -0.21 -0.06 -0.94 119.66 118.10 1aa6 s GLN 463 Ca 0.52 -0.07 -0.08 0.00 0.02 0.00 0.00 55.36 55.75 1aa6 s GLN 463 Cb -0.40 0.20 -0.05 0.00 1.00 0.00 0.00 33.01 33.75 1aa6 s GLN 463 CO 0.49 -0.10 0.36 1.03 -2.12 0.00 0.00 175.29 174.96 1aa6 s ARG 464 N -0.79 3.70 -0.00 2.91 0.52 -1.26 -0.98 118.95 123.04 1aa6 s ARG 464 Ca -0.09 0.07 0.03 0.00 -0.52 0.00 0.00 55.73 55.23 1aa6 s ARG 464 Cb -0.05 -2.99 -0.01 0.00 0.52 0.00 0.00 34.95 32.42 1aa6 s ARG 464 CO 0.02 0.57 -0.09 -0.59 0.02 0.00 0.00 175.30 175.22 1aa6 s PHE 465 N -1.41 0.83 0.24 -0.53 -0.71 -0.89 -4.46 117.98 111.04 1aa6 s PHE 465 Ca 0.33 -0.18 0.08 0.00 -1.04 0.00 0.00 56.93 56.12 1aa6 s PHE 465 Cb -0.13 -0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 41.11 1aa6 s PHE 465 CO 0.19 -0.01 0.11 -0.06 -1.34 0.00 0.00 175.22 174.10 1aa6 s PHE 466 N -0.30 2.96 -0.09 3.49 0.40 -0.34 -2.49 117.98 121.61 1aa6 s PHE 466 Ca 0.03 -0.14 -0.30 0.00 -0.60 0.00 0.00 56.93 55.92 1aa6 s PHE 466 Cb -0.04 -1.34 -0.02 0.00 0.51 0.00 0.00 43.02 42.12 1aa6 s PHE 466 CO -0.00 0.55 1.18 0.21 0.70 0.00 0.00 175.22 177.86 1aa6 s LYS 467 N -3.64 4.33 -0.01 0.44 2.20 -1.23 -4.73 119.74 117.10 1aa6 s LYS 467 Ca 0.32 1.62 0.14 0.00 -0.36 0.00 0.00 55.97 57.69 1aa6 s LYS 467 Cb -0.08 -3.60 -0.19 0.00 -1.51 0.00 0.00 37.83 32.45 1aa6 s LYS 467 CO 0.23 -0.49 0.44 0.00 -0.36 0.00 0.00 175.35 175.16 1aa6 n ALA 468 N 5.52 3.11 -3.42 3.13 0.00 -0.27 -4.96 120.51 123.62 1aa6 n ALA 468 Ca 0.11 -0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.06 1aa6 n ALA 468 Cb 0.46 -0.49 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 1aa6 n ALA 468 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1aa6 s VAL 469 N -2.66 0.00 0.35 0.00 0.11 -0.94 -4.89 120.40 112.37 1aa6 s VAL 469 Ca -0.00 -0.04 -0.12 0.00 -2.93 0.00 0.00 61.98 58.89 1aa6 s VAL 469 Cb 0.10 -1.01 -0.07 0.00 -1.53 0.00 0.00 36.38 33.87 1aa6 s VAL 469 CO 0.58 -0.02 0.73 -1.61 -3.33 0.00 0.00 175.10 171.44 1aa6 s GLU 470 N -3.18 3.86 0.44 1.54 0.41 -1.26 -4.12 118.70 116.39 1aa6 s GLU 470 Ca -0.02 0.51 -0.23 0.00 -0.41 0.00 0.00 54.97 54.82 1aa6 s GLU 470 Cb -0.01 -2.44 -0.08 0.00 -1.78 0.00 0.00 34.13 29.82 1aa6 s GLU 470 CO -0.08 0.08 1.09 -1.25 -0.49 0.00 0.00 175.26 174.62 1aa6 s PRO 471 N -3.40 3.93 0.00 0.39 0.04 -1.26 -4.91 135.00 129.80 1aa6 s PRO 471 Ca 0.52 1.58 0.26 0.00 0.04 0.00 0.00 61.00 63.40 1aa6 s PRO 471 Cb -0.10 -2.40 0.72 0.00 0.04 0.00 0.00 34.50 32.75 1aa6 s PRO 471 CO 0.25 -0.36 1.54 1.63 0.04 0.00 0.00 177.00 180.10 1aa6 n LYS 472 N -0.41 0.67 -4.65 4.56 4.76 -1.26 -4.89 118.16 116.95 1aa6 n LYS 472 Ca 0.07 -0.39 -0.29 0.00 -2.87 0.00 0.00 58.31 54.83 1aa6 n LYS 472 Cb 0.50 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 32.10 1aa6 n LYS 472 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1aa6 s TRP 473 N -2.60 2.09 -1.25 2.13 0.51 -1.26 -5.05 118.94 113.51 1aa6 s TRP 473 Ca 0.22 -0.90 -0.20 0.00 -2.12 0.00 0.00 56.10 53.10 1aa6 s TRP 473 Cb 0.19 -1.58 0.01 0.00 -0.81 0.00 0.00 33.47 31.28 1aa6 s TRP 473 CO 0.55 0.22 1.81 0.34 -0.51 0.00 0.00 176.95 179.36 1aa6 s ASP 474 N -3.74 6.14 0.23 2.95 2.15 -1.26 -4.94 116.67 118.19 1aa6 s ASP 474 Ca 0.21 -2.13 0.09 0.00 0.43 0.00 0.00 52.55 51.15 1aa6 s ASP 474 Cb 0.05 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 40.05 1aa6 s ASP 474 CO 0.11 -1.91 -0.00 -0.76 -0.17 0.00 0.00 175.17 172.44 1aa6 s LEU 475 N 6.85 3.24 0.19 -1.34 1.43 -1.26 -4.89 118.68 122.90 1aa6 s LEU 475 Ca 0.59 -0.55 0.09 0.00 -1.03 0.00 0.00 54.13 53.24 1aa6 s LEU 475 Cb 0.02 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1aa6 s LEU 475 CO 0.10 0.04 -0.19 -0.54 0.23 0.00 0.00 176.35 175.98 1aa6 s LYS 476 N -3.38 1.39 0.76 1.70 1.02 -1.25 -4.87 119.74 115.10 1aa6 s LYS 476 Ca 0.30 -1.51 -0.11 0.00 0.02 0.00 0.00 55.97 54.67 1aa6 s LYS 476 Cb -0.08 -1.47 0.05 0.00 -0.52 0.00 0.00 37.83 35.81 1aa6 s LYS 476 CO 0.19 0.29 1.08 0.95 -0.92 0.00 0.00 175.35 176.95 1aa6 s THR 477 N -2.15 3.49 0.26 2.17 -4.23 -1.26 -2.00 115.64 111.92 1aa6 s THR 477 Ca 0.20 0.48 -0.02 0.00 -1.18 0.00 0.00 61.69 61.16 1aa6 s THR 477 Cb -0.05 -3.17 0.25 0.00 1.34 0.00 0.00 72.50 70.86 1aa6 s THR 477 CO 0.08 -0.63 1.85 0.44 -0.54 0.00 0.00 174.62 175.82 1aa6 h ASP 478 N -0.97 0.91 0.86 3.99 3.32 -1.94 -1.68 116.42 120.91 1aa6 h ASP 478 Ca -0.45 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 1aa6 h ASP 478 Cb 1.24 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1aa6 h ASP 478 CO 0.57 0.55 -0.20 4.11 -1.72 0.00 0.00 179.24 182.54 1aa6 h TRP 479 N 1.02 0.00 -0.17 4.55 5.08 -1.92 -2.03 115.95 122.49 1aa6 h TRP 479 Ca 0.43 0.00 -0.21 0.00 1.08 0.00 0.00 58.89 60.19 1aa6 h TRP 479 Cb 0.28 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.44 1aa6 h TRP 479 CO -0.02 0.20 -0.72 1.96 -1.28 0.00 0.00 178.44 178.59 1aa6 h GLN 480 N 0.00 0.74 0.17 0.12 4.20 -1.68 -1.50 115.11 117.16 1aa6 h GLN 480 Ca -0.00 -0.57 -0.01 0.00 0.06 0.00 0.00 58.65 58.13 1aa6 h GLN 480 Cb 0.69 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.58 1aa6 h GLN 480 CO 0.03 1.18 -0.08 0.82 -0.67 0.00 0.00 178.83 180.11 1aa6 h ILE 481 N 0.52 0.91 -0.28 2.54 2.04 -0.82 -1.26 117.51 121.16 1aa6 h ILE 481 Ca -0.03 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1aa6 h ILE 481 Cb 1.33 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1aa6 h ILE 481 CO 0.15 0.09 0.15 0.40 0.00 0.00 0.00 178.15 178.93 1aa6 h ILE 482 N -0.40 1.13 -0.50 -0.67 2.04 -1.45 -1.84 117.51 115.81 1aa6 h ILE 482 Ca -0.02 -0.36 0.08 0.00 1.00 0.00 0.00 64.86 65.56 1aa6 h ILE 482 Cb 0.31 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 1aa6 h ILE 482 CO 0.04 0.13 0.14 0.28 0.00 0.00 0.00 178.15 178.74 1aa6 h SER 483 N 0.34 0.09 -0.09 1.72 0.02 -1.17 0.52 113.55 114.98 1aa6 h SER 483 Ca 0.10 0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 61.03 1aa6 h SER 483 Cb 0.08 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1aa6 h SER 483 CO -0.02 0.07 -0.23 -0.08 -1.14 0.00 0.00 176.83 175.43 1aa6 h GLU 484 N 0.29 0.51 -0.48 3.45 4.81 -1.04 -0.59 114.58 121.53 1aa6 h GLU 484 Ca 0.25 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1aa6 h GLU 484 Cb 0.31 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1aa6 h GLU 484 CO -0.29 0.71 0.02 0.82 -0.73 0.00 0.00 179.01 179.54 1aa6 h ILE 485 N 0.46 1.26 -0.64 2.32 2.04 -0.56 -0.70 117.51 121.69 1aa6 h ILE 485 Ca 0.07 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 64.90 1aa6 h ILE 485 Cb 0.66 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1aa6 h ILE 485 CO 0.05 0.36 0.39 0.00 0.00 0.00 0.00 178.15 178.95 1aa6 h ALA 486 N 0.93 0.81 -0.47 1.87 0.00 -0.63 -0.92 119.26 120.85 1aa6 h ALA 486 Ca 0.14 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1aa6 h ALA 486 Cb 0.48 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1aa6 h ALA 486 CO 0.02 0.27 0.09 1.15 0.00 0.00 0.00 179.25 180.79 1aa6 h THR 487 N 0.86 1.24 0.00 0.00 2.02 -0.75 0.72 112.91 117.01 1aa6 h THR 487 Ca 0.23 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1aa6 h THR 487 Cb -0.04 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1aa6 h THR 487 CO -0.04 0.31 0.00 0.03 0.37 0.00 0.00 175.52 176.19 1aa6 h ARG 488 N 0.65 0.00 -0.15 6.66 3.08 -0.58 -0.39 114.38 123.65 1aa6 h ARG 488 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1aa6 h ARG 488 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1aa6 h ARG 488 CO 0.01 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.58 1aa6 n MET 489 N -2.88 1.86 0.00 0.04 2.81 -0.40 -4.90 117.12 113.64 1aa6 n MET 489 Ca 0.00 -1.28 0.00 0.00 -1.81 0.00 0.00 57.70 54.62 1aa6 n MET 489 Cb 0.25 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 1aa6 n MET 489 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1aa6 n GLY 490 N 1.20 0.58 3.19 3.03 0.00 -0.15 -5.05 105.19 107.99 1aa6 n GLY 490 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1aa6 n GLY 490 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1aa6 s TYR 491 N -2.00 3.33 -0.10 1.61 6.14 0.21 -4.98 117.35 121.55 1aa6 s TYR 491 Ca 0.00 -1.84 -0.33 0.00 0.64 0.00 0.00 57.07 55.54 1aa6 s TYR 491 Cb 0.00 -2.41 -0.10 0.00 0.42 0.00 0.00 41.96 39.87 1aa6 s TYR 491 CO 0.00 -0.82 1.98 -0.35 0.64 0.00 0.00 175.55 177.00 1aa6 n PRO 492 N 4.68 2.20 -3.71 4.97 -0.04 -1.26 -2.41 135.00 139.43 1aa6 n PRO 492 Ca -0.11 0.77 -0.11 0.00 -0.04 0.00 0.00 63.50 64.01 1aa6 n PRO 492 Cb 0.43 -2.79 -0.11 0.00 -0.04 0.00 0.00 33.50 30.99 1aa6 n PRO 492 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1aa6 s MET 493 N 4.68 0.35 -0.23 0.54 1.75 -1.26 -4.94 119.30 120.19 1aa6 s MET 493 Ca 0.95 0.68 -0.27 0.00 -1.25 0.00 0.00 55.69 55.80 1aa6 s MET 493 Cb -0.60 -0.01 0.13 0.00 2.84 0.00 0.00 34.83 37.18 1aa6 s MET 493 CO 0.47 -0.14 1.05 -3.38 -0.65 0.00 0.00 175.02 172.37 1aa6 s HIS 494 N 1.18 -0.40 0.02 4.11 -3.43 -1.26 -4.43 115.29 111.08 1aa6 s HIS 494 Ca -0.08 0.86 0.01 0.00 -0.80 0.00 0.00 55.06 55.05 1aa6 s HIS 494 Cb -0.08 0.41 -0.02 0.00 -1.43 0.00 0.00 32.58 31.46 1aa6 s HIS 494 CO -0.10 -0.26 -0.06 0.71 -2.00 0.00 0.00 174.74 173.03 1aa6 s TYR 495 N -0.37 0.49 -0.32 0.38 1.51 -1.26 -5.04 117.35 112.73 1aa6 s TYR 495 Ca 0.01 -0.37 0.23 0.00 -1.01 0.00 0.00 57.07 55.93 1aa6 s TYR 495 Cb -0.03 -0.30 0.09 0.00 -0.11 0.00 0.00 41.96 41.61 1aa6 s TYR 495 CO -0.03 -0.08 1.14 -0.91 -1.11 0.00 0.00 175.55 174.56 1aa6 h ASN 496 N 5.00 0.00 -5.08 2.29 2.35 -2.02 -3.49 115.58 114.64 1aa6 h ASN 496 Ca -0.32 -0.04 0.19 0.00 -0.55 0.00 0.00 56.30 55.58 1aa6 h ASN 496 Cb 1.20 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.45 1aa6 h ASN 496 CO 0.44 0.02 0.58 0.54 -1.65 0.00 0.00 177.43 177.35 1aa6 s ASN 497 N -5.25 -0.21 0.54 5.81 4.22 -1.26 -5.04 114.94 113.75 1aa6 s ASN 497 Ca 0.01 -0.19 0.30 0.00 -2.14 0.00 0.00 52.86 50.84 1aa6 s ASN 497 Cb 0.10 0.37 1.54 0.00 1.28 0.00 0.00 41.25 44.53 1aa6 s ASN 497 CO 0.77 -0.65 2.09 0.71 -2.04 0.00 0.00 177.10 177.97 1aa6 h THR 498 N 2.00 0.41 0.00 0.54 1.35 -1.94 -2.19 112.91 113.08 1aa6 h THR 498 Ca -0.23 -0.49 -0.06 0.00 -0.55 0.00 0.00 66.41 65.08 1aa6 h THR 498 Cb 1.22 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 68.98 1aa6 h THR 498 CO 0.27 0.09 -0.29 -0.61 -0.25 0.00 0.00 175.52 174.74 1aa6 h GLN 499 N 0.00 0.00 -0.35 4.72 4.15 -1.98 -1.11 115.11 120.54 1aa6 h GLN 499 Ca -0.00 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 1aa6 h GLN 499 Cb 0.34 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 1aa6 h GLN 499 CO 0.01 0.29 -0.02 0.93 -1.93 0.00 0.00 178.83 178.11 1aa6 h GLU 500 N 0.00 0.63 -0.18 1.69 5.08 -1.81 -1.17 114.58 118.83 1aa6 h GLU 500 Ca -0.00 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 1aa6 h GLU 500 Cb 0.66 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1aa6 h GLU 500 CO 0.04 0.76 0.03 0.82 -1.00 0.00 0.00 179.01 179.66 1aa6 h ILE 501 N 0.44 1.22 -0.06 3.13 2.04 -1.53 -2.62 117.51 120.14 1aa6 h ILE 501 Ca 0.10 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.24 1aa6 h ILE 501 Cb 0.49 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1aa6 h ILE 501 CO 0.02 0.22 0.00 -0.25 0.00 0.00 0.00 178.15 178.15 1aa6 h TRP 502 N 0.08 0.00 -0.80 1.37 2.91 -1.13 -2.07 115.95 116.31 1aa6 h TRP 502 Ca 0.05 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.07 1aa6 h TRP 502 Cb 0.31 0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 28.93 1aa6 h TRP 502 CO 0.02 -0.00 0.49 -0.44 -1.03 0.00 0.00 178.44 177.47 1aa6 h ASP 503 N 0.02 0.96 0.31 2.65 3.32 -1.28 0.29 116.42 122.70 1aa6 h ASP 503 Ca 0.03 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1aa6 h ASP 503 Cb 0.03 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 1aa6 h ASP 503 CO -0.04 0.74 -0.45 -0.08 -1.72 0.00 0.00 179.24 177.69 1aa6 h GLU 504 N 1.10 -0.79 -0.63 3.56 4.81 -1.22 -2.04 114.58 119.38 1aa6 h GLU 504 Ca 0.29 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 1aa6 h GLU 504 Cb -0.05 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1aa6 h GLU 504 CO -0.05 -0.52 0.26 1.37 -0.73 0.00 0.00 179.01 179.34 1aa6 h LEU 505 N -0.81 0.83 -0.92 1.64 8.10 -1.23 -1.99 115.31 120.92 1aa6 h LEU 505 Ca -0.02 -0.10 0.13 0.00 0.11 0.00 0.00 57.88 57.99 1aa6 h LEU 505 Cb 0.76 -0.21 -0.09 0.00 -0.44 0.00 0.00 40.66 40.68 1aa6 h LEU 505 CO -0.15 0.73 0.55 0.03 -4.11 0.00 0.00 178.44 175.49 1aa6 h ARG 506 N 0.90 0.82 0.00 0.17 3.08 -0.16 0.61 114.38 119.79 1aa6 h ARG 506 Ca 0.22 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1aa6 h ARG 506 Cb 0.15 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1aa6 h ARG 506 CO -0.02 0.54 0.00 0.45 -1.07 0.00 0.00 179.97 179.87 1aa6 h HIS 507 N 0.84 0.00 -0.32 3.04 3.86 -0.63 -3.00 115.15 118.94 1aa6 h HIS 507 Ca 0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.68 1aa6 h HIS 507 Cb 0.53 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.00 1aa6 h HIS 507 CO -0.04 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.03 1aa6 n LEU 508 N -2.83 3.05 -3.53 2.43 4.77 0.15 -4.84 117.00 116.20 1aa6 n LEU 508 Ca 0.01 -1.56 -0.29 0.00 -0.03 0.00 0.00 56.01 54.14 1aa6 n LEU 508 Cb 0.27 -0.21 -0.14 0.00 -2.33 0.00 0.00 43.42 41.01 1aa6 n LEU 508 CO 0.24 0.68 -0.33 0.00 -1.33 0.00 0.00 177.39 176.66 1aa6 h PRO 510 N 8.00 0.48 0.00 0.00 0.11 -1.88 -0.74 132.00 137.97 1aa6 h PRO 510 Ca -0.13 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1aa6 h PRO 510 Cb 1.00 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1aa6 h PRO 510 CO 0.39 0.32 0.00 -0.25 -0.21 0.00 0.00 178.00 178.25 1aa6 n ASP 511 N -4.69 0.00 -0.02 -2.05 8.00 -1.26 -3.39 116.55 113.14 1aa6 n ASP 511 Ca 0.25 0.30 0.04 0.00 0.71 0.00 0.00 54.79 56.09 1aa6 n ASP 511 Cb 0.79 -0.43 -0.10 0.00 -0.02 0.00 0.00 41.12 41.36 1aa6 n ASP 511 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1aa6 n PHE 512 N -1.43 0.00 -0.42 1.24 3.72 -0.35 -0.23 117.46 120.00 1aa6 n PHE 512 Ca 0.08 0.00 0.36 0.00 -0.05 0.00 0.00 57.45 57.85 1aa6 n PHE 512 Cb 0.27 -0.36 0.64 0.00 -0.94 0.00 0.00 39.48 39.09 1aa6 n PHE 512 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1aa6 h TYR 513 N 0.00 0.63 0.00 1.38 3.20 -1.31 -1.02 116.97 119.85 1aa6 h TYR 513 Ca -0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1aa6 h TYR 513 Cb 0.83 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.96 1aa6 h TYR 513 CO 0.00 -0.32 -0.19 0.41 -1.64 0.00 0.00 178.16 176.41 1aa6 n GLY 514 N -1.43 -1.53 3.10 1.82 0.00 1.00 -4.47 105.19 103.68 1aa6 n GLY 514 Ca 0.39 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 1aa6 n GLY 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aa6 n ALA 515 N -1.67 4.70 -1.87 4.61 0.00 -0.39 -4.41 120.51 121.47 1aa6 n ALA 515 Ca 0.05 -4.00 -0.32 0.00 0.00 0.00 0.00 53.44 49.18 1aa6 n ALA 515 Cb 0.39 -3.39 -0.02 0.00 0.00 0.00 0.00 19.45 16.44 1aa6 n ALA 515 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1aa6 s THR 516 N 2.74 4.61 0.27 0.00 -4.23 -1.26 -4.90 115.64 112.88 1aa6 s THR 516 Ca 0.47 1.06 0.00 0.00 -1.18 0.00 0.00 61.69 62.04 1aa6 s THR 516 Cb 0.08 -3.77 0.28 0.00 1.34 0.00 0.00 72.50 70.43 1aa6 s THR 516 CO -0.01 -0.84 1.67 1.88 -0.54 0.00 0.00 174.62 176.78 1aa6 h TYR 517 N 0.50 0.42 -0.60 3.99 -1.99 -1.99 -0.89 116.97 116.42 1aa6 h TYR 517 Ca -0.46 0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.30 1aa6 h TYR 517 Cb 1.19 -0.05 -0.03 0.00 2.00 0.00 0.00 36.73 39.84 1aa6 h TYR 517 CO 0.64 -0.12 0.32 1.49 -0.00 0.00 0.00 178.16 180.50 1aa6 h GLU 518 N 0.29 0.84 -0.51 4.88 4.81 -1.94 0.33 114.58 123.28 1aa6 h GLU 518 Ca 0.51 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.55 1aa6 h GLU 518 Cb 0.96 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1aa6 h GLU 518 CO -0.57 0.65 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.12 1aa6 h LYS 519 N 0.82 0.92 -0.36 1.92 3.64 -1.56 -2.90 116.57 119.05 1aa6 h LYS 519 Ca 0.21 -0.31 -0.11 0.00 -1.27 0.00 0.00 60.65 59.17 1aa6 h LYS 519 Cb 0.06 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1aa6 h LYS 519 CO -0.03 0.96 -0.23 0.52 -2.27 0.00 0.00 179.45 178.39 1aa6 h MET 520 N 0.79 0.72 0.00 1.90 2.86 -0.73 -3.42 114.93 117.05 1aa6 h MET 520 Ca 0.14 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1aa6 h MET 520 Cb 0.56 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1aa6 h MET 520 CO 0.03 0.89 0.00 0.41 1.06 0.00 0.00 176.91 179.30 1aa6 n GLY 521 N -0.25 0.94 0.11 8.32 0.00 0.11 0.84 105.19 115.26 1aa6 n GLY 521 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1aa6 n GLY 521 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1aa6 h GLU 522 N 0.00 0.00 0.00 1.61 5.08 -1.91 -3.41 114.58 115.96 1aa6 h GLU 522 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1aa6 h GLU 522 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1aa6 h GLU 522 CO 0.00 0.39 0.00 1.28 -1.00 0.00 0.00 179.01 179.68 1aa6 n LEU 523 N -3.02 0.63 -4.78 1.33 4.77 -1.24 -4.85 117.00 109.84 1aa6 n LEU 523 Ca -0.05 -0.63 -0.37 0.00 -0.03 0.00 0.00 56.01 54.92 1aa6 n LEU 523 Cb 0.81 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.86 1aa6 n LEU 523 CO 0.42 0.16 0.76 -0.83 -1.33 0.00 0.00 177.39 176.57 1aa6 s GLY 524 N -0.24 2.78 -0.31 -0.72 0.00 0.25 -4.52 107.32 104.54 1aa6 s GLY 524 Ca 0.00 0.77 0.01 0.00 0.00 0.00 0.00 44.72 45.50 1aa6 s GLY 524 CO 0.00 1.22 0.08 -0.12 0.00 0.00 0.00 173.10 174.28 1aa6 s PHE 525 N -1.58 2.30 -0.32 1.90 5.36 -1.26 -4.57 117.98 119.81 1aa6 s PHE 525 Ca 0.57 -2.08 -0.06 0.00 -0.96 0.00 0.00 56.93 54.40 1aa6 s PHE 525 Cb -0.24 -2.04 0.03 0.00 -0.34 0.00 0.00 43.02 40.42 1aa6 s PHE 525 CO 0.30 -0.89 0.08 0.42 -1.46 0.00 0.00 175.22 173.68 1aa6 s ILE 526 N 1.41 3.75 -0.07 3.12 -1.09 -0.11 -4.83 121.20 123.38 1aa6 s ILE 526 Ca 0.09 -1.00 -0.24 0.00 -2.23 0.00 0.00 60.65 57.28 1aa6 s ILE 526 Cb -0.18 -3.05 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 1aa6 s ILE 526 CO -0.20 -0.07 0.71 -1.10 -1.23 0.00 0.00 174.94 173.05 1aa6 s GLN 527 N 1.42 4.43 0.48 2.79 -0.21 -1.26 0.64 119.66 127.96 1aa6 s GLN 527 Ca -0.00 0.89 -0.18 0.00 0.02 0.00 0.00 55.36 56.08 1aa6 s GLN 527 Cb -0.19 -3.46 -0.09 0.00 1.00 0.00 0.00 33.01 30.28 1aa6 s GLN 527 CO 0.02 0.04 0.97 1.67 -2.12 0.00 0.00 175.29 175.87 1aa6 s TRP 528 N 0.88 3.39 0.33 0.91 1.48 -0.98 0.74 118.94 125.69 1aa6 s TRP 528 Ca 0.38 1.53 -0.29 0.00 -1.06 0.00 0.00 56.10 56.65 1aa6 s TRP 528 Cb -0.18 -2.82 -0.10 0.00 -1.16 0.00 0.00 33.47 29.21 1aa6 s TRP 528 CO 0.18 -0.28 1.35 -2.14 -4.06 0.00 0.00 176.95 172.00 1aa6 s PRO 529 N -3.71 4.31 -0.30 3.25 0.02 -1.26 -4.45 135.00 132.85 1aa6 s PRO 529 Ca 0.60 2.28 -0.03 0.00 0.02 0.00 0.00 61.00 63.87 1aa6 s PRO 529 Cb -0.10 -3.06 0.11 0.00 0.02 0.00 0.00 34.50 31.47 1aa6 s PRO 529 CO 0.24 -0.26 0.15 0.00 -0.33 0.00 0.00 177.00 176.80 1aa6 n ARG 531 N 4.97 0.67 -4.33 0.00 1.74 -1.26 -0.00 116.66 118.46 1aa6 n ARG 531 Ca -0.02 0.24 -0.34 0.00 -0.77 0.00 0.00 57.85 56.96 1aa6 n ARG 531 Cb 0.41 -1.72 -0.10 0.00 -1.02 0.00 0.00 32.46 30.02 1aa6 n ARG 531 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1aa6 s ASP 532 N -6.27 5.16 0.52 0.55 1.01 -1.26 -3.74 116.67 112.64 1aa6 s ASP 532 Ca -0.11 0.05 0.34 0.00 0.71 0.00 0.00 52.55 53.54 1aa6 s ASP 532 Cb 0.07 -1.64 1.47 0.00 1.01 0.00 0.00 42.92 43.84 1aa6 s ASP 532 CO 0.80 0.29 2.00 0.74 0.21 0.00 0.00 175.17 179.20 1aa6 h THR 533 N 4.56 0.00 -3.29 -1.27 2.02 -1.81 -3.38 112.91 109.73 1aa6 h THR 533 Ca -0.43 -0.38 -0.57 0.00 0.77 0.00 0.00 66.41 65.80 1aa6 h THR 533 Cb 1.19 1.32 0.12 0.00 -1.74 0.00 0.00 68.15 69.04 1aa6 h THR 533 CO 0.59 0.00 0.43 -0.24 0.37 0.00 0.00 175.52 176.67 1aa6 n SER 534 N -2.94 2.38 0.13 4.18 2.88 -1.26 -4.83 113.62 114.16 1aa6 n SER 534 Ca 0.00 1.15 0.08 0.00 -1.33 0.00 0.00 58.87 58.77 1aa6 n SER 534 Cb 0.25 -1.46 0.44 0.00 -0.75 0.00 0.00 64.21 62.70 1aa6 n SER 534 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1aa6 n ASP 535 N 0.58 0.42 0.21 -3.46 2.03 -1.26 -0.47 116.55 114.60 1aa6 n ASP 535 Ca 0.06 0.67 0.15 0.00 0.52 0.00 0.00 54.79 56.19 1aa6 n ASP 535 Cb 0.37 -0.71 0.55 0.00 -0.72 0.00 0.00 41.12 40.62 1aa6 n ASP 535 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1aa6 h ALA 536 N 1.82 1.00 -2.58 -1.67 0.00 -1.91 -3.38 119.26 112.54 1aa6 h ALA 536 Ca 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.18 1aa6 h ALA 536 Cb 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.63 1aa6 h ALA 536 CO 0.00 0.00 -0.37 0.34 0.00 0.00 0.00 179.25 179.22 1aa6 s ASP 537 N -5.18 5.76 0.00 0.00 2.15 0.38 -4.90 116.67 114.88 1aa6 s ASP 537 Ca 0.03 -1.90 0.22 0.00 0.43 0.00 0.00 52.55 51.34 1aa6 s ASP 537 Cb 0.09 -2.03 0.52 0.00 -0.30 0.00 0.00 42.92 41.20 1aa6 s ASP 537 CO 0.51 -0.71 1.45 0.00 -0.17 0.00 0.00 175.17 176.25 1aa6 n GLN 538 N 4.94 2.46 0.00 4.34 1.13 -1.26 -4.86 117.38 124.13 1aa6 n GLN 538 Ca -0.09 -2.23 0.00 0.00 -1.94 0.00 0.00 57.00 52.75 1aa6 n GLN 538 Cb 0.41 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 29.25 1aa6 n GLN 538 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aa6 n GLY 539 N 1.50 -0.67 3.14 1.08 0.00 -1.26 -4.07 105.19 104.91 1aa6 n GLY 539 Ca 0.20 -2.23 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 1aa6 n GLY 539 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aa6 s THR 540 N -0.35 2.03 -0.06 2.61 2.01 0.23 -4.89 115.64 117.22 1aa6 s THR 540 Ca 0.00 -0.94 -0.08 0.00 0.31 0.00 0.00 61.69 60.98 1aa6 s THR 540 Cb 0.00 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 1aa6 s THR 540 CO 0.00 0.54 0.36 -1.28 -0.69 0.00 0.00 174.62 173.55 1aa6 h SER 541 N 7.65 -0.25 -3.18 3.53 0.87 -1.91 -3.41 113.55 116.85 1aa6 h SER 541 Ca -0.39 0.01 -0.65 0.00 -1.23 0.00 0.00 61.79 59.53 1aa6 h SER 541 Cb 1.16 0.06 -0.17 0.00 -0.44 0.00 0.00 62.40 63.02 1aa6 h SER 541 CO 0.59 0.16 -0.78 -0.72 -0.53 0.00 0.00 176.83 175.56 1aa6 s TYR 542 N -2.48 2.47 0.35 2.24 -0.85 -1.26 -2.42 117.35 115.39 1aa6 s TYR 542 Ca -0.04 -0.29 0.06 0.00 -0.52 0.00 0.00 57.07 56.28 1aa6 s TYR 542 Cb 0.00 -1.23 -0.01 0.00 0.38 0.00 0.00 41.96 41.11 1aa6 s TYR 542 CO 0.13 0.49 0.49 -0.51 -1.52 0.00 0.00 175.55 174.63 1aa6 s LEU 543 N -2.67 3.94 -1.11 -3.49 1.43 0.15 -4.69 118.68 112.23 1aa6 s LEU 543 Ca 0.22 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1aa6 s LEU 543 Cb -0.09 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.34 1aa6 s LEU 543 CO 0.12 -0.46 0.00 0.49 0.23 0.00 0.00 176.35 176.73 1aa6 n PHE 544 N -1.69 -0.25 -0.11 0.29 3.72 -1.26 -3.95 117.46 114.21 1aa6 n PHE 544 Ca 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.33 1aa6 n PHE 544 Cb 0.58 -2.37 0.01 0.00 -0.94 0.00 0.00 39.48 36.76 1aa6 n PHE 544 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1aa6 h LYS 545 N 0.00 0.33 0.00 -1.08 3.64 -1.84 -3.36 116.57 114.26 1aa6 h LYS 545 Ca -0.25 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 58.89 1aa6 h LYS 545 Cb 0.96 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1aa6 h LYS 545 CO 0.34 0.22 -1.36 0.39 -2.27 0.00 0.00 179.45 176.76 1aa6 n GLU 546 N -4.96 0.55 -4.35 1.90 -0.58 -1.26 -4.94 120.64 106.99 1aa6 n GLU 546 Ca 0.01 0.49 -0.20 0.00 -0.42 0.00 0.00 57.16 57.04 1aa6 n GLU 546 Cb 0.11 -1.67 -0.09 0.00 -0.57 0.00 0.00 31.44 29.22 1aa6 n GLU 546 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1aa6 s LYS 547 N -2.40 1.65 0.00 3.49 -2.85 -1.26 -5.10 119.74 113.28 1aa6 s LYS 547 Ca -0.28 -1.95 0.22 0.00 -1.00 0.00 0.00 55.97 52.95 1aa6 s LYS 547 Cb 0.07 -0.11 0.54 0.00 -2.06 0.00 0.00 37.83 36.27 1aa6 s LYS 547 CO 0.49 -0.48 1.45 1.19 0.10 0.00 0.00 175.35 178.11 1aa6 n PHE 548 N -0.63 0.37 -0.81 1.78 3.72 -0.79 -4.33 117.46 116.77 1aa6 n PHE 548 Ca 0.01 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 1aa6 n PHE 548 Cb 0.65 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 1aa6 n PHE 548 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1aa6 n ASP 549 N 1.02 -2.34 -4.92 4.37 9.92 -1.26 -4.24 116.55 119.10 1aa6 n ASP 549 Ca 0.18 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.18 1aa6 n ASP 549 Cb 0.49 -2.11 0.00 0.00 -0.64 0.00 0.00 41.12 38.87 1aa6 n ASP 549 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1aa6 s THR 550 N -1.65 4.58 0.31 -3.53 -4.23 -1.26 -4.45 115.64 105.42 1aa6 s THR 550 Ca 0.00 -0.06 0.06 0.00 -1.18 0.00 0.00 61.69 60.50 1aa6 s THR 550 Cb 0.00 -3.73 0.32 0.00 1.34 0.00 0.00 72.50 70.43 1aa6 s THR 550 CO 0.00 -0.65 1.64 -0.65 -0.54 0.00 0.00 174.62 174.42 1aa6 h PRO 551 N 0.28 0.21 -0.49 3.99 0.11 -1.93 0.22 132.00 134.38 1aa6 h PRO 551 Ca -0.47 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 1aa6 h PRO 551 Cb 1.22 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 1aa6 h PRO 551 CO 0.61 0.14 0.09 0.27 -0.21 0.00 0.00 178.00 178.90 1aa6 n ASN 552 N -5.20 4.39 0.00 -2.05 6.94 -1.26 -4.95 115.26 113.13 1aa6 n ASN 552 Ca 0.25 -3.17 0.00 0.00 -0.02 0.00 0.00 54.58 51.64 1aa6 n ASN 552 Cb 0.78 -0.65 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 1aa6 n ASN 552 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1aa6 n GLY 553 N -0.26 0.03 3.62 4.83 0.00 0.76 -4.97 105.19 109.20 1aa6 n GLY 553 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 1aa6 n GLY 553 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aa6 s LEU 554 N 0.00 3.30 0.56 0.99 1.43 -1.26 -1.89 118.68 121.81 1aa6 s LEU 554 Ca 0.00 -0.06 -0.18 0.00 -1.03 0.00 0.00 54.13 52.87 1aa6 s LEU 554 Cb 0.00 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 1aa6 s LEU 554 CO 0.00 0.31 1.07 0.00 0.23 0.00 0.00 176.35 177.96 1aa6 s ALA 555 N -0.98 2.74 -0.20 4.21 0.00 -0.69 -4.63 121.76 122.21 1aa6 s ALA 555 Ca 0.17 0.55 -0.04 0.00 0.00 0.00 0.00 51.96 52.63 1aa6 s ALA 555 Cb -0.11 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1aa6 s ALA 555 CO 0.07 -0.72 -0.03 -0.65 0.00 0.00 0.00 175.76 174.42 1aa6 s GLN 556 N -3.71 3.49 0.64 0.00 1.11 0.76 -1.21 119.66 120.73 1aa6 s GLN 556 Ca 0.67 -0.59 -0.14 0.00 0.01 0.00 0.00 55.36 55.31 1aa6 s GLN 556 Cb -0.18 -3.00 -0.01 0.00 -1.01 0.00 0.00 33.01 28.81 1aa6 s GLN 556 CO 0.31 -0.06 1.07 -0.06 0.01 0.00 0.00 175.29 176.57 1aa6 s PHE 557 N 1.14 2.88 -0.28 0.91 0.08 0.59 -4.44 117.98 118.85 1aa6 s PHE 557 Ca 0.02 1.51 -0.26 0.00 0.12 0.00 0.00 56.93 58.32 1aa6 s PHE 557 Cb -0.15 -3.03 0.18 0.00 -0.57 0.00 0.00 43.02 39.45 1aa6 s PHE 557 CO 0.00 -1.33 1.34 0.12 -0.10 0.00 0.00 175.22 175.25 1aa6 s PHE 558 N -2.54 -0.12 0.23 0.36 2.19 -1.26 -4.87 117.98 111.96 1aa6 s PHE 558 Ca 0.63 0.27 -0.21 0.00 0.33 0.00 0.00 56.93 57.95 1aa6 s PHE 558 Cb -0.17 0.47 0.06 0.00 -1.31 0.00 0.00 43.02 42.07 1aa6 s PHE 558 CO 0.42 -0.07 0.94 0.95 1.83 0.00 0.00 175.22 179.29 1aa6 s THR 559 N -0.31 0.00 0.33 0.12 -4.23 -1.26 -3.66 115.64 106.63 1aa6 s THR 559 Ca 0.07 -0.73 -0.07 0.00 -1.18 0.00 0.00 61.69 59.78 1aa6 s THR 559 Cb -0.04 -2.58 0.03 0.00 1.34 0.00 0.00 72.50 71.25 1aa6 s THR 559 CO -0.11 0.00 0.55 0.00 -0.54 0.00 0.00 174.62 174.51 1aa6 s ASP 561 N -2.87 6.68 0.23 0.00 1.01 -1.26 -4.98 116.67 115.49 1aa6 s ASP 561 Ca 0.20 1.90 -0.30 0.00 0.71 0.00 0.00 52.55 55.07 1aa6 s ASP 561 Cb -0.02 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.25 1aa6 s ASP 561 CO 0.15 -0.54 1.16 0.86 0.21 0.00 0.00 175.17 177.00 1aa6 s TRP 562 N -1.90 3.47 -0.09 4.23 -0.00 -1.26 -5.01 118.94 118.38 1aa6 s TRP 562 Ca 0.62 1.55 0.00 0.00 -0.00 0.00 0.00 56.10 58.27 1aa6 s TRP 562 Cb -0.16 -3.38 0.02 0.00 -0.00 0.00 0.00 33.47 29.95 1aa6 s TRP 562 CO 0.21 -0.94 -0.08 0.08 -0.00 0.00 0.00 176.95 176.22 1aa6 s VAL 563 N -0.58 0.95 0.52 5.86 1.01 -1.26 -5.04 120.40 121.86 1aa6 s VAL 563 Ca 0.49 -0.29 -0.23 0.00 0.00 0.00 0.00 61.98 61.96 1aa6 s VAL 563 Cb -0.33 -0.95 -0.06 0.00 0.00 0.00 0.00 36.38 35.05 1aa6 s VAL 563 CO 0.39 0.34 1.36 0.00 0.00 0.00 0.00 175.10 177.19 1aa6 s ALA 564 N 1.35 2.91 0.96 5.51 0.00 -1.26 -4.96 121.76 126.28 1aa6 s ALA 564 Ca -0.02 1.34 -0.14 0.00 0.00 0.00 0.00 51.96 53.13 1aa6 s ALA 564 Cb -0.14 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 1aa6 s ALA 564 CO -0.04 -1.29 -0.08 -2.30 0.00 0.00 0.00 175.76 172.05 1aa6 n PRO 565 N -0.83 -0.17 0.08 0.00 -0.02 -1.26 -4.92 135.00 127.90 1aa6 n PRO 565 Ca 0.09 -0.02 -0.07 0.00 -2.02 0.00 0.00 63.50 61.48 1aa6 n PRO 565 Cb 0.45 -1.51 0.05 0.00 -0.02 0.00 0.00 33.50 32.47 1aa6 n PRO 565 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1aa6 h ILE 566 N -1.32 1.44 -2.77 4.25 2.04 -1.94 -3.41 117.51 115.81 1aa6 h ILE 566 Ca -0.44 -2.32 -0.55 0.00 1.00 0.00 0.00 64.86 62.56 1aa6 h ILE 566 Cb 1.29 2.24 -0.07 0.00 -0.74 0.00 0.00 36.82 39.54 1aa6 h ILE 566 CO 0.30 0.68 1.04 -1.81 0.00 0.00 0.00 178.15 178.36 1aa6 s ASP 567 N -6.91 6.26 0.07 1.72 1.11 -1.26 -4.98 116.67 112.67 1aa6 s ASP 567 Ca -0.03 -0.09 -0.31 0.00 0.18 0.00 0.00 52.55 52.30 1aa6 s ASP 567 Cb 0.11 -2.55 -0.06 0.00 1.07 0.00 0.00 42.92 41.48 1aa6 s ASP 567 CO 0.81 -1.68 1.25 -0.75 1.18 0.00 0.00 175.17 175.98 1aa6 s LYS 568 N 5.40 4.40 0.32 8.23 2.20 -1.26 -4.70 119.74 134.32 1aa6 s LYS 568 Ca 0.42 1.84 -0.28 0.00 -0.36 0.00 0.00 55.97 57.59 1aa6 s LYS 568 Cb -0.08 -3.34 -0.10 0.00 -1.51 0.00 0.00 37.83 32.80 1aa6 s LYS 568 CO 0.21 -0.32 1.16 -0.51 -0.36 0.00 0.00 175.35 175.53 1aa6 s LEU 569 N 1.18 4.45 0.41 5.43 1.43 -1.26 -4.86 118.68 125.47 1aa6 s LEU 569 Ca 0.60 2.38 0.04 0.00 -1.03 0.00 0.00 54.13 56.12 1aa6 s LEU 569 Cb -0.31 -3.71 -0.04 0.00 0.03 0.00 0.00 46.19 42.15 1aa6 s LEU 569 CO 0.29 -0.33 0.05 0.42 0.23 0.00 0.00 176.35 177.01 1aa6 s THR 570 N -1.21 1.21 0.19 5.49 -4.23 -1.09 -4.98 115.64 111.02 1aa6 s THR 570 Ca 0.48 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.30 1aa6 s THR 570 Cb -0.33 -2.56 0.34 0.00 1.34 0.00 0.00 72.50 71.29 1aa6 s THR 570 CO 0.43 0.00 1.98 -2.24 -0.54 0.00 0.00 174.62 174.25 1aa6 h ASP 571 N 1.75 0.00 0.46 3.99 2.03 -1.98 -2.37 116.42 120.30 1aa6 h ASP 571 Ca -0.41 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 55.59 1aa6 h ASP 571 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 1aa6 h ASP 571 CO 0.70 0.07 -1.47 -0.33 -1.03 0.00 0.00 179.24 177.19 1aa6 h GLU 572 N 0.00 0.30 -2.34 4.15 4.39 -1.98 -3.38 114.58 115.72 1aa6 h GLU 572 Ca -0.00 -0.51 -0.59 0.00 0.34 0.00 0.00 59.36 58.59 1aa6 h GLU 572 Cb 0.51 0.19 -0.41 0.00 -0.10 0.00 0.00 28.75 28.95 1aa6 h GLU 572 CO 0.01 1.20 -0.77 0.66 -1.16 0.00 0.00 179.01 178.94 1aa6 n TYR 573 N -3.51 1.94 0.56 4.33 4.01 -1.12 -4.55 117.16 118.82 1aa6 n TYR 573 Ca -0.15 -3.92 0.09 0.00 -0.16 0.00 0.00 57.90 53.75 1aa6 n TYR 573 Cb 1.05 -0.41 0.37 0.00 -0.31 0.00 0.00 39.34 40.04 1aa6 n TYR 573 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1aa6 n PRO 574 N 1.46 0.03 -4.03 -0.72 -0.04 -0.91 -2.67 135.00 128.12 1aa6 n PRO 574 Ca 0.26 0.23 -0.26 0.00 -0.04 0.00 0.00 63.50 63.69 1aa6 n PRO 574 Cb 0.44 -1.55 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 1aa6 n PRO 574 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1aa6 s MET 575 N -3.04 3.10 -0.12 0.54 -1.94 -0.86 -4.91 119.30 112.08 1aa6 s MET 575 Ca 0.08 -0.76 -0.05 0.00 -1.71 0.00 0.00 55.69 53.24 1aa6 s MET 575 Cb 0.11 -2.77 -0.04 0.00 2.01 0.00 0.00 34.83 34.14 1aa6 s MET 575 CO 0.32 0.50 0.06 0.08 -0.01 0.00 0.00 175.02 175.97 1aa6 s VAL 576 N -1.74 4.82 -0.10 -6.03 1.01 0.70 -1.21 120.40 117.85 1aa6 s VAL 576 Ca 0.32 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.28 1aa6 s VAL 576 Cb -0.10 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 1aa6 s VAL 576 CO 0.25 0.58 -0.17 -0.22 0.00 0.00 0.00 175.10 175.54 1aa6 s LEU 577 N -0.63 2.53 -0.01 3.92 2.96 0.24 0.85 118.68 128.54 1aa6 s LEU 577 Ca 0.11 -0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 53.62 1aa6 s LEU 577 Cb -0.12 -1.54 0.00 0.00 0.50 0.00 0.00 46.19 45.03 1aa6 s LEU 577 CO 0.02 0.20 0.07 -0.55 -1.32 0.00 0.00 176.35 174.77 1aa6 s SER 578 N 0.12 0.01 0.38 3.68 0.15 -0.61 -1.56 113.70 115.88 1aa6 s SER 578 Ca -0.08 -0.07 -0.06 0.00 0.70 0.00 0.00 55.95 56.44 1aa6 s SER 578 Cb -0.15 0.16 -0.05 0.00 -1.71 0.00 0.00 66.02 64.27 1aa6 s SER 578 CO 0.05 -0.16 0.69 0.42 1.20 0.00 0.00 173.24 175.43 1aa6 s THR 579 N -0.61 4.92 0.08 6.45 -4.23 -1.26 -1.95 115.64 119.04 1aa6 s THR 579 Ca -0.07 0.23 -0.22 0.00 -1.18 0.00 0.00 61.69 60.45 1aa6 s THR 579 Cb -0.04 -3.78 0.06 0.00 1.34 0.00 0.00 72.50 70.07 1aa6 s THR 579 CO 0.00 -0.55 0.54 0.54 -0.54 0.00 0.00 174.62 174.61 1aa6 s VAL 580 N -2.37 0.02 0.92 2.29 0.11 0.11 -4.89 120.40 116.59 1aa6 s VAL 580 Ca 0.47 -0.21 -0.14 0.00 -2.93 0.00 0.00 61.98 59.17 1aa6 s VAL 580 Cb -0.10 -1.01 0.18 0.00 -1.53 0.00 0.00 36.38 33.91 1aa6 s VAL 580 CO 0.35 -0.11 1.28 -0.13 -3.33 0.00 0.00 175.10 173.15 1aa6 s ARG 581 N -2.87 0.90 -0.30 1.54 1.81 -1.26 -4.17 118.95 114.60 1aa6 s ARG 581 Ca -0.03 -0.39 -0.16 0.00 -1.72 0.00 0.00 55.73 53.43 1aa6 s ARG 581 Cb -0.00 -1.90 0.17 0.00 -0.45 0.00 0.00 34.95 32.77 1aa6 s ARG 581 CO -0.05 -2.23 1.10 -2.00 -0.68 0.00 0.00 175.30 171.43 1aa6 s GLU 582 N -5.79 0.23 0.00 3.54 -6.30 -1.26 -4.95 118.70 104.16 1aa6 s GLU 582 Ca 0.72 0.43 0.00 0.00 -2.50 0.00 0.00 54.97 53.62 1aa6 s GLU 582 Cb -0.05 0.12 0.00 0.00 0.00 0.00 0.00 34.13 34.20 1aa6 s GLU 582 CO 0.52 -0.06 0.00 1.33 0.02 0.00 0.00 175.26 177.07 1aa6 n VAL 583 N 3.84 0.00 0.00 3.70 0.24 -1.25 -3.78 118.33 121.08 1aa6 n VAL 583 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1aa6 n VAL 583 Cb 0.56 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 1aa6 n VAL 583 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1aa6 n GLY 584 N 0.00 1.66 3.79 7.63 0.00 -1.26 -4.82 105.19 112.19 1aa6 n GLY 584 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1aa6 n GLY 584 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1aa6 s HIS 585 N 0.00 3.10 -0.12 1.61 -3.43 -1.25 -4.81 115.29 110.39 1aa6 s HIS 585 Ca 0.00 -0.06 -0.01 0.00 -0.80 0.00 0.00 55.06 54.20 1aa6 s HIS 585 Cb 0.00 -1.46 0.03 0.00 -1.43 0.00 0.00 32.58 29.72 1aa6 s HIS 585 CO 0.00 0.52 -0.06 -0.47 -2.00 0.00 0.00 174.74 172.74 1aa6 s TYR 586 N -1.85 1.40 0.00 0.38 6.14 -1.26 -4.76 117.35 117.40 1aa6 s TYR 586 Ca 0.31 -0.74 0.00 0.00 0.64 0.00 0.00 57.07 57.28 1aa6 s TYR 586 Cb -0.09 -1.18 0.00 0.00 0.42 0.00 0.00 41.96 41.10 1aa6 s TYR 586 CO 0.23 -0.51 0.00 0.43 0.64 0.00 0.00 175.55 176.34 1aa6 n SER 587 N 4.96 0.00 0.21 4.32 7.64 -1.26 -0.38 113.62 129.11 1aa6 n SER 587 Ca -0.11 0.00 0.18 0.00 1.01 0.00 0.00 58.87 59.95 1aa6 n SER 587 Cb 0.49 0.00 0.82 0.00 -1.01 0.00 0.00 64.21 64.51 1aa6 n SER 587 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aa6 n ARG 589 N -3.45 0.00 -0.01 0.00 0.63 0.49 -4.82 116.66 109.49 1aa6 n ARG 589 Ca 0.02 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.99 1aa6 n ARG 589 Cb 0.44 -1.80 0.41 0.00 0.45 0.00 0.00 32.46 31.96 1aa6 n ARG 589 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1aa6 h SER 590 N 0.00 0.49 0.00 6.15 0.02 -1.88 0.19 113.55 118.52 1aa6 h SER 590 Ca 0.00 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.78 1aa6 h SER 590 Cb 0.00 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1aa6 h SER 590 CO 0.00 0.36 -1.24 0.23 -1.14 0.00 0.00 176.83 175.04 1aa6 n MET 591 N -4.47 0.53 -0.24 3.45 2.81 -1.26 -3.82 117.12 114.11 1aa6 n MET 591 Ca 0.03 0.41 0.02 0.00 -1.81 0.00 0.00 57.70 56.36 1aa6 n MET 591 Cb 0.06 -1.61 0.14 0.00 -0.71 0.00 0.00 33.22 31.11 1aa6 n MET 591 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1aa6 h THR 592 N -1.00 0.81 0.00 2.03 2.02 -1.84 -0.88 112.91 114.05 1aa6 h THR 592 Ca -0.24 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1aa6 h THR 592 Cb 1.05 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1aa6 h THR 592 CO -0.14 0.10 0.00 0.61 0.37 0.00 0.00 175.52 176.46 1aa6 n GLY 593 N -1.30 -1.30 1.37 2.16 0.00 0.68 -2.43 105.19 104.37 1aa6 n GLY 593 Ca 0.11 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.20 1aa6 n GLY 593 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1aa6 n ASN 594 N -1.81 4.37 -4.52 1.61 3.02 -0.35 -4.19 115.26 113.39 1aa6 n ASN 594 Ca 0.04 -2.39 -0.35 0.00 -0.03 0.00 0.00 54.58 51.85 1aa6 n ASN 594 Cb 0.27 -0.52 -0.12 0.00 -0.61 0.00 0.00 39.78 38.80 1aa6 n ASN 594 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aa6 h ALA 596 N 7.37 1.39 0.12 0.00 0.00 -1.89 -1.06 119.26 125.18 1aa6 h ALA 596 Ca -0.36 0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.36 1aa6 h ALA 596 Cb 1.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1aa6 h ALA 596 CO 0.63 -0.06 -1.24 0.00 0.00 0.00 0.00 179.25 178.58 1aa6 h ALA 597 N 1.58 0.13 0.01 0.00 0.00 -1.93 -3.26 119.26 115.79 1aa6 h ALA 597 Ca 0.50 -0.90 -0.22 0.00 0.00 0.00 0.00 54.91 54.29 1aa6 h ALA 597 Cb 0.71 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1aa6 h ALA 597 CO -0.36 1.01 -0.94 -0.07 0.00 0.00 0.00 179.25 178.89 1aa6 h LEU 598 N 0.07 0.40 -1.57 0.00 3.38 -1.77 -3.10 115.31 112.72 1aa6 h LEU 598 Ca -0.13 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 1aa6 h LEU 598 Cb 1.96 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 1aa6 h LEU 598 CO 0.19 1.14 -0.21 0.00 0.09 0.00 0.00 178.44 179.65 1aa6 h ALA 599 N 0.83 1.65 0.00 1.53 0.00 -1.32 -1.31 119.26 120.64 1aa6 h ALA 599 Ca -0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1aa6 h ALA 599 Cb 1.58 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1aa6 h ALA 599 CO 0.15 0.27 -0.06 0.00 0.00 0.00 0.00 179.25 179.61 1aa6 h ALA 600 N 1.79 1.20 0.14 0.00 0.00 -1.57 -3.17 119.26 117.65 1aa6 h ALA 600 Ca -0.00 -0.06 -0.35 0.00 0.00 0.00 0.00 54.91 54.50 1aa6 h ALA 600 Cb 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1aa6 h ALA 600 CO 0.03 0.08 -1.81 -0.07 0.00 0.00 0.00 179.25 177.48 1aa6 h LEU 601 N 0.00 0.47 -8.97 0.00 3.38 -1.31 -3.46 115.31 105.41 1aa6 h LEU 601 Ca -0.00 -0.82 -0.63 0.00 0.09 0.00 0.00 57.88 56.52 1aa6 h LEU 601 Cb 0.26 -0.15 -0.16 0.00 0.09 0.00 0.00 40.66 40.69 1aa6 h LEU 601 CO 0.01 1.71 -0.52 0.00 0.09 0.00 0.00 178.44 179.73 1aa6 s ALA 602 N -2.58 3.53 0.34 1.53 0.00 -1.19 -5.08 121.76 118.31 1aa6 s ALA 602 Ca -0.17 -0.99 -0.09 0.00 0.00 0.00 0.00 51.96 50.71 1aa6 s ALA 602 Cb 0.06 -2.36 -0.07 0.00 0.00 0.00 0.00 23.12 20.76 1aa6 s ALA 602 CO 0.82 -0.36 0.68 -0.51 0.00 0.00 0.00 175.76 176.39 1aa6 s ASP 603 N 1.38 6.55 -0.04 0.00 1.11 -1.26 -4.95 116.67 119.46 1aa6 s ASP 603 Ca 0.07 1.01 -0.09 0.00 0.18 0.00 0.00 52.55 53.71 1aa6 s ASP 603 Cb -0.15 -2.27 -0.05 0.00 1.07 0.00 0.00 42.92 41.53 1aa6 s ASP 603 CO 0.07 -0.27 0.27 -1.61 1.18 0.00 0.00 175.17 174.81 1aa6 s GLU 604 N -3.51 3.65 0.21 8.23 0.41 -1.26 -1.75 118.70 124.68 1aa6 s GLU 604 Ca 0.49 0.08 0.26 0.00 -0.41 0.00 0.00 54.97 55.38 1aa6 s GLU 604 Cb -0.11 -3.16 0.86 0.00 -1.78 0.00 0.00 34.13 29.95 1aa6 s GLU 604 CO 0.28 0.70 1.77 -0.35 -0.49 0.00 0.00 175.26 177.17 1aa6 n PRO 605 N 1.63 0.24 0.00 0.39 -0.04 -1.26 -4.99 135.00 130.97 1aa6 n PRO 605 Ca -0.15 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1aa6 n PRO 605 Cb 0.53 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 1aa6 n PRO 605 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aa6 n GLY 606 N 1.03 3.32 3.91 0.55 0.00 -0.72 -4.87 105.19 108.42 1aa6 n GLY 606 Ca 0.05 -1.94 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 1aa6 n GLY 606 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aa6 s TYR 607 N -2.88 3.32 -0.16 1.61 1.51 -1.26 -1.70 117.35 117.79 1aa6 s TYR 607 Ca 0.00 0.68 -0.04 0.00 -1.01 0.00 0.00 57.07 56.70 1aa6 s TYR 607 Cb 0.00 -2.65 0.06 0.00 -0.11 0.00 0.00 41.96 39.26 1aa6 s TYR 607 CO 0.00 -0.71 0.07 0.00 -1.11 0.00 0.00 175.55 173.80 1aa6 s ALA 608 N -2.94 0.54 0.08 3.71 0.00 -0.14 -3.88 121.76 119.12 1aa6 s ALA 608 Ca 0.53 -0.35 -0.31 0.00 0.00 0.00 0.00 51.96 51.83 1aa6 s ALA 608 Cb -0.10 -1.03 -0.07 0.00 0.00 0.00 0.00 23.12 21.91 1aa6 s ALA 608 CO 0.45 -1.11 1.45 -0.65 0.00 0.00 0.00 175.76 175.90 1aa6 s GLN 609 N 2.08 4.28 -0.07 0.00 -0.21 0.34 -1.09 119.66 124.99 1aa6 s GLN 609 Ca 0.02 2.10 0.02 0.00 0.02 0.00 0.00 55.36 57.52 1aa6 s GLN 609 Cb -0.16 -3.39 0.01 0.00 1.00 0.00 0.00 33.01 30.47 1aa6 s GLN 609 CO -0.08 -0.54 -0.14 0.42 -2.12 0.00 0.00 175.29 172.84 1aa6 s ILE 610 N 1.73 1.24 0.11 1.08 1.01 -0.46 -1.75 121.20 124.16 1aa6 s ILE 610 Ca 0.66 -0.54 -0.31 0.00 0.00 0.00 0.00 60.65 60.46 1aa6 s ILE 610 Cb -0.36 -1.12 -0.10 0.00 0.01 0.00 0.00 42.46 40.89 1aa6 s ILE 610 CO 0.29 0.38 1.73 0.21 0.00 0.00 0.00 174.94 177.56 1aa6 s ASN 611 N 0.64 6.51 0.10 3.58 3.84 -1.25 -0.52 114.94 127.83 1aa6 s ASN 611 Ca -0.15 2.64 -0.14 0.00 0.21 0.00 0.00 52.86 55.42 1aa6 s ASN 611 Cb -0.16 -2.57 0.02 0.00 -0.55 0.00 0.00 41.25 37.99 1aa6 s ASN 611 CO 0.04 -0.94 0.82 0.41 -2.79 0.00 0.00 177.10 174.64 1aa6 n THR 612 N 4.64 -0.34 0.12 -5.21 -1.04 0.41 -0.18 114.28 112.69 1aa6 n THR 612 Ca 0.17 1.28 -0.14 0.00 -2.04 0.00 0.00 64.05 63.32 1aa6 n THR 612 Cb 0.39 -1.62 -0.07 0.00 -1.82 0.00 0.00 70.33 67.21 1aa6 n THR 612 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1aa6 h GLU 613 N 0.00 -0.23 -0.31 -2.82 4.81 -1.91 -2.59 114.58 111.53 1aa6 h GLU 613 Ca 0.12 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.43 1aa6 h GLU 613 Cb 0.25 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.61 1aa6 h GLU 613 CO -0.51 -0.15 -0.15 -0.44 -0.73 0.00 0.00 179.01 177.03 1aa6 h ASP 614 N -0.23 -0.50 0.05 1.04 3.32 -0.94 -2.79 116.42 116.36 1aa6 h ASP 614 Ca -0.02 0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1aa6 h ASP 614 Cb 0.18 0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 1aa6 h ASP 614 CO 0.04 -0.18 -0.42 0.00 -1.72 0.00 0.00 179.24 176.95 1aa6 h ALA 615 N 1.14 -0.71 -0.66 3.45 0.00 -1.09 -1.95 119.26 119.44 1aa6 h ALA 615 Ca 0.16 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1aa6 h ALA 615 Cb 0.34 0.73 -0.10 0.00 0.00 0.00 0.00 17.79 18.77 1aa6 h ALA 615 CO -0.38 -0.97 -0.57 0.87 0.00 0.00 0.00 179.25 178.20 1aa6 h LYS 616 N -0.61 -0.22 -0.51 0.00 1.57 -1.24 0.21 116.57 115.77 1aa6 h LYS 616 Ca 0.04 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.93 1aa6 h LYS 616 Cb 0.67 0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.92 1aa6 h LYS 616 CO -0.29 -0.15 -0.24 -0.09 -0.57 0.00 0.00 179.45 178.12 1aa6 h ARG 617 N -0.23 -0.12 0.00 3.15 2.43 -1.24 0.17 114.38 118.55 1aa6 h ARG 617 Ca 0.11 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1aa6 h ARG 617 Cb 0.52 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1aa6 h ARG 617 CO -0.75 -0.08 0.00 1.28 -1.51 0.00 0.00 179.97 178.92 1aa6 n LEU 618 N -5.42 0.00 -2.35 3.80 4.77 -0.49 -4.88 117.00 112.43 1aa6 n LEU 618 Ca 0.04 0.28 -0.10 0.00 -0.03 0.00 0.00 56.01 56.20 1aa6 n LEU 618 Cb 0.32 -0.28 0.05 0.00 -2.33 0.00 0.00 43.42 41.19 1aa6 n LEU 618 CO 0.06 -0.05 0.07 0.61 -1.33 0.00 0.00 177.39 176.75 1aa6 n GLY 619 N 0.83 0.00 3.34 -0.72 0.00 0.61 -4.53 105.19 104.72 1aa6 n GLY 619 Ca 0.12 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1aa6 n GLY 619 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aa6 s ILE 620 N -3.20 2.99 0.15 -0.61 1.01 -0.30 -4.71 121.20 116.53 1aa6 s ILE 620 Ca 0.03 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1aa6 s ILE 620 Cb -0.01 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 1aa6 s ILE 620 CO 0.41 0.51 0.30 -1.61 0.00 0.00 0.00 174.94 174.55 1aa6 s GLU 621 N 0.56 3.46 0.29 2.79 0.41 -1.26 -4.31 118.70 120.64 1aa6 s GLU 621 Ca -0.08 -0.51 -0.29 0.00 -0.41 0.00 0.00 54.97 53.67 1aa6 s GLU 621 Cb -0.16 -2.94 -0.10 0.00 -1.78 0.00 0.00 34.13 29.15 1aa6 s GLU 621 CO 0.03 0.50 1.40 0.34 -0.49 0.00 0.00 175.26 177.05 1aa6 s ASP 622 N -3.12 6.66 0.00 -0.19 2.15 -1.26 -2.21 116.67 118.70 1aa6 s ASP 622 Ca 0.36 2.71 0.00 0.00 0.43 0.00 0.00 52.55 56.05 1aa6 s ASP 622 Cb -0.11 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 1aa6 s ASP 622 CO 0.28 -0.66 0.00 -0.62 -0.17 0.00 0.00 175.17 174.00 1aa6 n GLU 623 N 1.64 0.00 -2.26 4.34 -0.58 0.53 -4.99 120.64 119.32 1aa6 n GLU 623 Ca 0.04 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.36 1aa6 n GLU 623 Cb 0.41 -1.21 -0.03 0.00 -0.57 0.00 0.00 31.44 30.03 1aa6 n GLU 623 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1aa6 s ALA 624 N -2.27 3.51 0.88 0.62 0.00 -0.94 -4.51 121.76 119.05 1aa6 s ALA 624 Ca 0.00 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.88 1aa6 s ALA 624 Cb 0.00 -3.49 0.13 0.00 0.00 0.00 0.00 23.12 19.76 1aa6 s ALA 624 CO 0.00 -0.53 1.17 -0.51 0.00 0.00 0.00 175.76 175.89 1aa6 s LEU 625 N 0.71 2.94 0.25 0.00 1.43 -1.26 -1.32 118.68 121.43 1aa6 s LEU 625 Ca 0.60 2.25 -0.12 0.00 -1.03 0.00 0.00 54.13 55.84 1aa6 s LEU 625 Cb -0.34 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.29 1aa6 s LEU 625 CO 0.32 -2.96 0.45 0.54 0.23 0.00 0.00 176.35 174.93 1aa6 s VAL 626 N -2.49 0.00 -0.10 -1.59 0.11 0.34 -4.18 120.40 112.49 1aa6 s VAL 626 Ca 0.69 -1.46 -0.00 0.00 -2.93 0.00 0.00 61.98 58.28 1aa6 s VAL 626 Cb -0.25 -2.24 -0.03 0.00 -1.53 0.00 0.00 36.38 32.34 1aa6 s VAL 626 CO 0.55 0.00 -0.09 0.26 -3.33 0.00 0.00 175.10 172.50 1aa6 s TRP 627 N -4.01 2.89 -0.19 1.54 0.52 0.59 -2.00 118.94 118.28 1aa6 s TRP 627 Ca 0.24 -0.23 0.01 0.00 0.02 0.00 0.00 56.10 56.14 1aa6 s TRP 627 Cb -0.00 -1.79 0.03 0.00 -1.15 0.00 0.00 33.47 30.56 1aa6 s TRP 627 CO 0.09 0.10 -0.15 0.08 0.02 0.00 0.00 176.95 177.09 1aa6 s VAL 628 N -0.27 1.87 0.01 4.03 1.01 -0.43 0.26 120.40 126.88 1aa6 s VAL 628 Ca 0.03 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1aa6 s VAL 628 Cb -0.13 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1aa6 s VAL 628 CO 0.03 0.37 0.07 -1.00 0.00 0.00 0.00 175.10 174.56 1aa6 s HIS 629 N 1.34 3.24 0.34 5.22 3.76 0.24 -1.84 115.29 127.58 1aa6 s HIS 629 Ca 0.02 0.17 -0.09 0.00 -0.15 0.00 0.00 55.06 55.01 1aa6 s HIS 629 Cb -0.15 -1.71 0.04 0.00 1.11 0.00 0.00 32.58 31.87 1aa6 s HIS 629 CO -0.10 0.53 0.61 0.45 -0.85 0.00 0.00 174.74 175.38 1aa6 n SER 630 N 1.09 -1.75 -4.66 1.40 2.88 0.63 0.44 113.62 113.65 1aa6 n SER 630 Ca -0.12 -2.52 -0.43 0.00 -1.33 0.00 0.00 58.87 54.47 1aa6 n SER 630 Cb 0.52 3.00 -0.02 0.00 -0.75 0.00 0.00 64.21 66.96 1aa6 n SER 630 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1aa6 s ARG 631 N -2.31 4.25 -1.55 -1.46 0.52 -1.26 -2.99 118.95 114.15 1aa6 s ARG 631 Ca 0.18 1.50 -0.03 0.00 -0.52 0.00 0.00 55.73 56.86 1aa6 s ARG 631 Cb -0.03 -3.69 0.01 0.00 0.52 0.00 0.00 34.95 31.76 1aa6 s ARG 631 CO 0.13 -0.65 0.27 1.17 0.02 0.00 0.00 175.30 176.24 1aa6 n LYS 632 N 6.39 -3.11 -3.72 3.54 4.81 -1.26 -4.95 118.16 119.85 1aa6 n LYS 632 Ca 0.13 0.87 -0.12 0.00 -0.87 0.00 0.00 58.31 58.31 1aa6 n LYS 632 Cb 0.46 -5.60 -0.13 0.00 0.02 0.00 0.00 35.03 29.78 1aa6 n LYS 632 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1aa6 s GLY 633 N -2.35 -0.18 -0.19 3.14 0.00 -1.16 -5.12 107.32 101.46 1aa6 s GLY 633 Ca 0.15 1.10 -0.08 0.00 0.00 0.00 0.00 44.72 45.88 1aa6 s GLY 633 CO 0.18 1.32 0.43 1.25 0.00 0.00 0.00 173.10 176.28 1aa6 s LYS 634 N 1.25 0.37 0.04 2.90 2.20 -1.25 -0.27 119.74 124.97 1aa6 s LYS 634 Ca -0.09 0.98 0.05 0.00 -0.36 0.00 0.00 55.97 56.54 1aa6 s LYS 634 Cb -0.10 0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.43 1aa6 s LYS 634 CO -0.09 -0.22 -0.13 0.42 -0.36 0.00 0.00 175.35 174.97 1aa6 s ILE 635 N 2.19 1.06 -0.19 5.43 -1.09 -0.77 -4.97 121.20 122.86 1aa6 s ILE 635 Ca -0.05 -1.00 -0.07 0.00 -2.23 0.00 0.00 60.65 57.30 1aa6 s ILE 635 Cb -0.11 -0.97 -0.04 0.00 -1.58 0.00 0.00 42.46 39.77 1aa6 s ILE 635 CO -0.13 -0.03 0.07 -0.51 -1.23 0.00 0.00 174.94 173.11 1aa6 s ILE 636 N -0.88 4.74 0.07 2.92 2.07 -1.26 -1.31 121.20 127.54 1aa6 s ILE 636 Ca 0.01 -0.05 -0.09 0.00 -1.41 0.00 0.00 60.65 59.11 1aa6 s ILE 636 Cb -0.08 -3.15 -0.00 0.00 0.13 0.00 0.00 42.46 39.36 1aa6 s ILE 636 CO 0.01 0.44 0.18 0.42 -1.91 0.00 0.00 174.94 174.08 1aa6 s THR 637 N 0.57 0.13 -0.10 4.00 -4.23 -0.85 -4.85 115.64 110.32 1aa6 s THR 637 Ca 0.03 -1.11 -0.21 0.00 -1.18 0.00 0.00 61.69 59.22 1aa6 s THR 637 Cb -0.13 -1.20 -0.04 0.00 1.34 0.00 0.00 72.50 72.47 1aa6 s THR 637 CO 0.01 -0.61 0.61 -0.60 -0.54 0.00 0.00 174.62 173.49 1aa6 s ARG 638 N -3.44 4.38 0.18 3.99 3.52 -0.69 0.13 118.95 127.03 1aa6 s ARG 638 Ca 0.02 0.70 -0.30 0.00 -0.13 0.00 0.00 55.73 56.02 1aa6 s ARG 638 Cb 0.03 -3.46 -0.08 0.00 -1.56 0.00 0.00 34.95 29.89 1aa6 s ARG 638 CO -0.09 0.07 1.12 0.00 -0.81 0.00 0.00 175.30 175.59 1aa6 s ALA 639 N 0.85 3.39 -0.58 6.12 0.00 -0.43 -0.97 121.76 130.12 1aa6 s ALA 639 Ca 0.33 0.85 0.04 0.00 0.00 0.00 0.00 51.96 53.17 1aa6 s ALA 639 Cb -0.17 -3.36 0.14 0.00 0.00 0.00 0.00 23.12 19.73 1aa6 s ALA 639 CO 0.14 -0.24 0.34 -1.14 0.00 0.00 0.00 175.76 174.87 1aa6 s GLN 640 N -0.40 2.15 0.20 0.00 0.74 -0.25 -0.35 119.66 121.75 1aa6 s GLN 640 Ca 0.50 -2.88 -0.30 0.00 0.05 0.00 0.00 55.36 52.73 1aa6 s GLN 640 Cb -0.30 -3.35 -0.08 0.00 1.10 0.00 0.00 33.01 30.37 1aa6 s GLN 640 CO 0.36 -1.17 1.23 0.08 -0.55 0.00 0.00 175.29 175.23 1aa6 s VAL 641 N -0.71 3.41 0.04 1.34 1.01 -1.26 -1.35 120.40 122.89 1aa6 s VAL 641 Ca 0.20 1.20 -0.28 0.00 0.00 0.00 0.00 61.98 63.10 1aa6 s VAL 641 Cb -0.18 -3.77 0.09 0.00 0.00 0.00 0.00 36.38 32.52 1aa6 s VAL 641 CO -0.06 0.20 1.02 -0.94 0.00 0.00 0.00 175.10 175.32 1aa6 s SER 642 N 0.11 -0.21 0.21 3.32 1.04 0.32 -4.89 113.70 113.59 1aa6 s SER 642 Ca 0.53 -0.20 0.25 0.00 0.48 0.00 0.00 55.95 57.02 1aa6 s SER 642 Cb -0.34 0.37 0.66 0.00 0.10 0.00 0.00 66.02 66.80 1aa6 s SER 642 CO 0.38 -0.65 1.65 0.44 0.98 0.00 0.00 173.24 176.04 1aa6 h ASP 643 N 2.00 0.00 0.26 7.02 5.19 -1.94 0.12 116.42 129.06 1aa6 h ASP 643 Ca -0.23 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 1aa6 h ASP 643 Cb 1.22 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.71 1aa6 h ASP 643 CO 0.27 0.02 -0.24 0.03 -3.12 0.00 0.00 179.24 176.20 1aa6 h ARG 644 N 0.00 -0.51 -7.14 3.56 3.08 -1.93 -3.43 114.38 108.02 1aa6 h ARG 644 Ca 0.00 0.03 -0.50 0.00 0.07 0.00 0.00 59.98 59.59 1aa6 h ARG 644 Cb 0.76 0.12 0.07 0.00 0.08 0.00 0.00 29.97 31.00 1aa6 h ARG 644 CO 0.00 -0.34 0.40 -1.25 -1.07 0.00 0.00 179.97 177.71 1aa6 s PRO 645 N -6.08 3.29 0.22 0.04 0.04 -1.26 -0.87 135.00 130.38 1aa6 s PRO 645 Ca -0.16 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 62.02 1aa6 s PRO 645 Cb 0.06 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 1aa6 s PRO 645 CO 0.64 -0.86 0.90 0.54 0.04 0.00 0.00 177.00 178.26 1aa6 s ASN 646 N -2.22 7.58 0.12 6.66 4.22 -1.26 -4.55 114.94 125.49 1aa6 s ASN 646 Ca 0.68 1.87 -0.34 0.00 -2.14 0.00 0.00 52.86 52.94 1aa6 s ASN 646 Cb -0.20 -2.58 -0.13 0.00 1.28 0.00 0.00 41.25 39.62 1aa6 s ASN 646 CO 0.31 0.17 1.64 1.17 -2.04 0.00 0.00 177.10 178.36 1aa6 n LYS 647 N 1.52 2.20 0.00 3.55 3.00 -1.26 -2.09 118.16 125.09 1aa6 n LYS 647 Ca -0.03 0.80 0.00 0.00 -0.00 0.00 0.00 58.31 59.08 1aa6 n LYS 647 Cb 0.47 -2.59 0.00 0.00 0.00 0.00 0.00 35.03 32.92 1aa6 n LYS 647 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1aa6 n GLY 648 N 3.63 2.26 3.11 3.14 0.00 -1.26 -5.07 105.19 111.00 1aa6 n GLY 648 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1aa6 n GLY 648 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aa6 s ALA 649 N -2.19 1.26 0.00 4.61 0.00 -0.89 -0.22 121.76 124.34 1aa6 s ALA 649 Ca 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.35 1aa6 s ALA 649 Cb 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1aa6 s ALA 649 CO 0.00 0.28 0.01 0.96 0.00 0.00 0.00 175.76 177.01 1aa6 s ILE 650 N -0.22 4.18 -0.33 0.00 -4.36 0.25 -4.53 121.20 116.19 1aa6 s ILE 650 Ca 0.03 -0.62 0.03 0.00 -0.26 0.00 0.00 60.65 59.83 1aa6 s ILE 650 Cb -0.07 -2.88 0.09 0.00 1.25 0.00 0.00 42.46 40.85 1aa6 s ILE 650 CO 0.00 0.36 0.03 -0.31 0.24 0.00 0.00 174.94 175.26 1aa6 s TYR 651 N -1.11 3.63 0.45 1.37 1.51 -0.72 -1.57 117.35 120.91 1aa6 s TYR 651 Ca 0.20 -2.76 -0.01 0.00 -1.01 0.00 0.00 57.07 53.49 1aa6 s TYR 651 Cb -0.12 -2.72 0.09 0.00 -0.11 0.00 0.00 41.96 39.11 1aa6 s TYR 651 CO 0.11 -0.93 0.61 -1.33 -1.11 0.00 0.00 175.55 172.90 1aa6 n MET 652 N 4.34 0.10 -4.74 -0.62 2.81 -0.83 -0.51 117.12 117.67 1aa6 n MET 652 Ca -0.01 -1.57 -0.32 0.00 -1.81 0.00 0.00 57.70 53.98 1aa6 n MET 652 Cb 0.42 -0.43 -0.07 0.00 -0.71 0.00 0.00 33.22 32.42 1aa6 n MET 652 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1aa6 s THR 653 N -1.82 0.97 0.00 2.03 -4.23 -1.25 0.05 115.64 111.39 1aa6 s THR 653 Ca 0.40 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1aa6 s THR 653 Cb -0.02 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.72 1aa6 s THR 653 CO 0.27 0.00 0.37 0.00 -0.54 0.00 0.00 174.62 174.72 1aa6 n TYR 654 N -1.24 0.00 0.33 3.99 4.11 -1.26 -4.82 117.16 118.27 1aa6 n TYR 654 Ca -0.19 -0.07 0.00 0.00 -0.00 0.00 0.00 57.90 57.65 1aa6 n TYR 654 Cb 0.67 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 40.00 1aa6 n TYR 654 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 1aa6 n GLN 655 N -0.07 0.81 -4.95 -3.48 6.02 -1.26 -4.78 117.38 109.67 1aa6 n GLN 655 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.72 1aa6 n GLN 655 Cb 0.23 -1.10 -0.16 0.00 1.02 0.00 0.00 30.24 30.24 1aa6 n GLN 655 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1aa6 s TRP 656 N 0.27 1.85 -1.13 1.08 0.52 -1.26 -4.65 118.94 115.62 1aa6 s TRP 656 Ca 0.00 -0.48 -0.18 0.00 0.02 0.00 0.00 56.10 55.45 1aa6 s TRP 656 Cb 0.00 -1.23 0.10 0.00 -1.15 0.00 0.00 33.47 31.20 1aa6 s TRP 656 CO 0.00 -0.13 1.46 -1.58 0.02 0.00 0.00 176.95 176.72 1aa6 s TRP 657 N -0.15 2.96 0.00 -1.98 0.52 -1.26 -5.10 118.94 113.93 1aa6 s TRP 657 Ca -0.00 -1.50 0.00 0.00 0.02 0.00 0.00 56.10 54.62 1aa6 s TRP 657 Cb -0.11 -4.54 0.00 0.00 -1.15 0.00 0.00 33.47 27.67 1aa6 s TRP 657 CO 0.02 -1.68 0.00 -2.30 0.02 0.00 0.00 176.95 173.01 1aa6 n PRO 676 N 7.49 0.00 -1.50 4.98 -0.02 -1.26 -5.13 135.00 139.55 1aa6 n PRO 676 Ca 0.37 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.45 1aa6 n PRO 676 Cb 0.47 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.94 1aa6 n PRO 676 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1aa6 n GLU 677 N 0.79 3.16 0.32 -0.52 2.13 -1.26 -3.82 120.64 121.44 1aa6 n GLU 677 Ca 0.00 -2.37 0.21 0.00 0.66 0.00 0.00 57.16 55.65 1aa6 n GLU 677 Cb 0.00 -3.04 1.07 0.00 0.27 0.00 0.00 31.44 29.73 1aa6 n GLU 677 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 1aa6 h TYR 678 N 5.64 0.00 -0.23 4.31 0.05 -1.93 -2.77 116.97 122.04 1aa6 h TYR 678 Ca 0.70 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.48 1aa6 h TYR 678 Cb 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.21 1aa6 h TYR 678 CO 1.65 0.01 0.00 1.63 -1.05 0.00 0.00 178.16 180.40 1aa6 n LYS 679 N -3.17 1.92 -3.67 4.88 4.76 -1.07 -4.25 118.16 117.57 1aa6 n LYS 679 Ca -0.02 -1.39 -0.10 0.00 -2.87 0.00 0.00 58.31 53.93 1aa6 n LYS 679 Cb 0.13 -1.41 -0.11 0.00 -1.84 0.00 0.00 35.03 31.80 1aa6 n LYS 679 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1aa6 s TYR 680 N -1.71 -0.65 -0.21 2.13 6.14 -1.05 -4.33 117.35 117.67 1aa6 s TYR 680 Ca 0.33 1.31 -0.09 0.00 0.64 0.00 0.00 57.07 59.26 1aa6 s TYR 680 Cb 0.18 0.19 0.08 0.00 0.42 0.00 0.00 41.96 42.83 1aa6 s TYR 680 CO 0.27 -0.42 0.47 0.00 0.64 0.00 0.00 175.55 176.51 1aa6 s ALA 682 N 2.01 3.65 0.21 0.00 0.00 -1.26 0.80 121.76 127.18 1aa6 s ALA 682 Ca -0.06 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 1aa6 s ALA 682 Cb -0.10 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 1aa6 s ALA 682 CO -0.14 -1.11 0.15 0.14 0.00 0.00 0.00 175.76 174.80 1aa6 s VAL 683 N 3.31 0.00 -0.20 0.00 -7.23 -0.35 -4.70 120.40 111.24 1aa6 s VAL 683 Ca 0.54 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.71 1aa6 s VAL 683 Cb -0.21 -2.49 0.06 0.00 0.56 0.00 0.00 36.38 34.29 1aa6 s VAL 683 CO 0.15 0.00 -0.01 -0.60 -0.31 0.00 0.00 175.10 174.33 1aa6 s ARG 684 N -4.09 1.05 -0.03 4.82 3.52 0.17 -2.03 118.95 122.37 1aa6 s ARG 684 Ca 0.39 -0.58 -0.24 0.00 -0.13 0.00 0.00 55.73 55.16 1aa6 s ARG 684 Cb 0.06 -2.19 -0.04 0.00 -1.56 0.00 0.00 34.95 31.22 1aa6 s ARG 684 CO 0.13 -0.58 0.74 0.08 -0.81 0.00 0.00 175.30 174.86 1aa6 s VAL 685 N 1.69 4.94 -0.02 7.11 1.01 -1.26 0.80 120.40 134.68 1aa6 s VAL 685 Ca -0.02 1.54 0.01 0.00 0.00 0.00 0.00 61.98 63.51 1aa6 s VAL 685 Cb -0.17 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.14 1aa6 s VAL 685 CO -0.07 0.28 -0.02 -1.61 0.00 0.00 0.00 175.10 173.68 1aa6 s GLU 686 N 0.53 0.34 1.02 2.72 2.02 0.14 -4.97 118.70 120.49 1aa6 s GLU 686 Ca 0.39 -0.06 -0.12 0.00 0.02 0.00 0.00 54.97 55.20 1aa6 s GLU 686 Cb -0.19 -0.40 0.20 0.00 0.10 0.00 0.00 34.13 33.84 1aa6 s GLU 686 CO 0.20 -0.01 1.08 -1.25 0.02 0.00 0.00 175.26 175.30 1aa6 s PRO 687 N 0.38 0.27 -0.13 0.39 0.04 -1.26 -0.30 135.00 134.39 1aa6 s PRO 687 Ca -0.04 0.76 0.02 0.00 0.04 0.00 0.00 61.00 61.78 1aa6 s PRO 687 Cb -0.07 -1.70 -0.00 0.00 0.04 0.00 0.00 34.50 32.77 1aa6 s PRO 687 CO -0.01 -2.90 -0.20 0.42 0.04 0.00 0.00 177.00 174.36 1aa6 s ILE 688 N -2.79 2.38 -0.07 0.56 1.01 -1.26 -4.69 121.20 116.34 1aa6 s ILE 688 Ca 0.66 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 1aa6 s ILE 688 Cb -0.21 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 1aa6 s ILE 688 CO 0.59 0.54 0.19 0.00 0.00 0.00 0.00 174.94 176.26 1aa6 h ALA 689 N 6.96 -0.16 -0.92 9.38 0.00 -1.97 -3.38 119.26 129.17 1aa6 h ALA 689 Ca -0.26 -0.03 -0.70 0.00 0.00 0.00 0.00 54.91 53.92 1aa6 h ALA 689 Cb 1.21 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 1aa6 h ALA 689 CO 0.52 -0.15 2.15 -3.47 0.00 0.00 0.00 179.25 178.30 1aa6 n ASP 690 N -4.66 4.86 -0.35 0.00 -0.08 -1.26 -4.73 116.55 110.33 1aa6 n ASP 690 Ca -0.02 -2.93 -0.03 0.00 -1.51 0.00 0.00 54.79 50.30 1aa6 n ASP 690 Cb 0.06 -1.68 0.09 0.00 2.34 0.00 0.00 41.12 41.93 1aa6 n ASP 690 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1aa6 h GLN 691 N 7.14 1.28 0.00 -0.67 1.08 -1.98 -1.91 115.11 120.04 1aa6 h GLN 691 Ca 0.44 -0.13 -0.03 0.00 -1.45 0.00 0.00 58.65 57.48 1aa6 h GLN 691 Cb 0.82 -0.26 -0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1aa6 h GLN 691 CO 1.49 0.90 -0.12 0.00 -0.95 0.00 0.00 178.83 180.15 1aa6 h ARG 692 N 1.29 0.00 0.00 1.46 3.08 -1.96 0.22 114.38 118.47 1aa6 h ARG 692 Ca 0.33 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.36 1aa6 h ARG 692 Cb -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1aa6 h ARG 692 CO -0.06 0.12 -0.19 0.00 -1.07 0.00 0.00 179.97 178.77 1aa6 h ALA 693 N 1.88 0.89 0.06 0.04 0.00 -1.77 -2.64 119.26 117.72 1aa6 h ALA 693 Ca -0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1aa6 h ALA 693 Cb 0.25 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1aa6 h ALA 693 CO 0.02 0.15 -0.41 0.00 0.00 0.00 0.00 179.25 179.01 1aa6 h ALA 694 N 1.88 -0.03 0.43 0.00 0.00 -0.03 -2.94 119.26 118.57 1aa6 h ALA 694 Ca -0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1aa6 h ALA 694 Cb 1.10 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1aa6 h ALA 694 CO 0.02 0.19 -0.31 0.93 0.00 0.00 0.00 179.25 180.07 1aa6 h GLU 695 N -0.61 -0.70 -0.95 0.00 4.39 -0.75 -1.39 114.58 114.57 1aa6 h GLU 695 Ca -0.07 0.05 0.16 0.00 0.34 0.00 0.00 59.36 59.84 1aa6 h GLU 695 Cb 1.28 0.16 -0.10 0.00 -0.10 0.00 0.00 28.75 29.99 1aa6 h GLU 695 CO 0.08 -0.47 0.56 0.37 -1.16 0.00 0.00 179.01 178.39 1aa6 h GLN 696 N -0.73 0.74 -0.35 2.33 5.75 -1.61 0.12 115.11 121.37 1aa6 h GLN 696 Ca -0.04 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.45 1aa6 h GLN 696 Cb 0.62 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.97 1aa6 h GLN 696 CO 0.01 0.49 0.13 -0.92 -2.65 0.00 0.00 178.83 175.89 1aa6 h TYR 697 N 0.76 0.23 -0.15 3.99 3.20 -1.20 0.21 116.97 124.02 1aa6 h TYR 697 Ca 0.52 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.41 1aa6 h TYR 697 Cb 0.73 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1aa6 h TYR 697 CO -0.03 0.10 0.09 0.28 -1.64 0.00 0.00 178.16 176.95 1aa6 h VAL 698 N 0.28 1.08 -0.87 1.81 2.07 0.25 0.83 116.25 121.70 1aa6 h VAL 698 Ca 0.16 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1aa6 h VAL 698 Cb 0.12 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1aa6 h VAL 698 CO -0.15 0.07 0.53 0.40 0.02 0.00 0.00 177.57 178.44 1aa6 h ILE 699 N 0.16 1.24 0.53 4.57 2.04 -0.93 -1.28 117.51 123.83 1aa6 h ILE 699 Ca 0.05 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1aa6 h ILE 699 Cb 0.04 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1aa6 h ILE 699 CO -0.01 0.25 -0.30 0.44 0.00 0.00 0.00 178.15 178.53 1aa6 h ASP 700 N 1.20 -0.75 -0.96 1.72 3.32 0.20 -0.11 116.42 121.04 1aa6 h ASP 700 Ca 0.31 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.42 1aa6 h ASP 700 Cb -0.05 0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 1aa6 h ASP 700 CO -0.06 -0.49 0.63 -0.33 -1.72 0.00 0.00 179.24 177.28 1aa6 h GLU 701 N -0.78 1.23 -0.42 3.56 4.39 -0.73 -0.62 114.58 121.21 1aa6 h GLU 701 Ca -0.06 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.46 1aa6 h GLU 701 Cb 0.63 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1aa6 h GLU 701 CO 0.08 0.81 -0.16 -0.92 -1.16 0.00 0.00 179.01 177.66 1aa6 h TYR 702 N 1.26 0.87 -0.40 4.33 3.20 -1.00 -1.55 116.97 123.68 1aa6 h TYR 702 Ca 0.36 -0.18 -0.09 0.00 3.14 0.00 0.00 58.73 61.97 1aa6 h TYR 702 Cb -0.09 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 37.95 1aa6 h TYR 702 CO -0.00 0.88 -0.11 -0.91 -1.64 0.00 0.00 178.16 176.38 1aa6 h ASN 703 N 0.70 0.79 0.16 -2.11 2.35 -0.56 -2.26 115.58 114.65 1aa6 h ASN 703 Ca 0.11 -0.37 0.01 0.00 -0.55 0.00 0.00 56.30 55.50 1aa6 h ASN 703 Cb 0.65 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1aa6 h ASN 703 CO 0.05 0.98 -0.19 0.11 -1.65 0.00 0.00 177.43 176.72 1aa6 h LYS 704 N 0.59 -0.38 -0.51 0.81 1.57 -0.64 -0.94 116.57 117.07 1aa6 h LYS 704 Ca 0.10 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1aa6 h LYS 704 Cb 0.64 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1aa6 h LYS 704 CO 0.04 -0.26 0.31 1.25 -0.57 0.00 0.00 179.45 180.23 1aa6 h LEU 705 N -0.40 0.62 -0.30 2.94 5.85 -1.32 -1.65 115.31 121.04 1aa6 h LEU 705 Ca 0.01 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1aa6 h LEU 705 Cb 0.39 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1aa6 h LEU 705 CO -0.07 0.49 0.06 0.50 -0.34 0.00 0.00 178.44 179.08 1aa6 h LYS 706 N 0.69 0.16 -0.06 1.25 3.64 -1.14 -1.13 116.57 119.98 1aa6 h LYS 706 Ca 0.18 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.47 1aa6 h LYS 706 Cb -0.01 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1aa6 h LYS 706 CO -0.03 0.11 -0.37 1.79 -2.27 0.00 0.00 179.45 178.67 1aa6 h THR 707 N 0.16 1.28 0.53 1.00 1.35 -0.92 -1.53 112.91 114.78 1aa6 h THR 707 Ca 0.14 -1.35 -0.02 0.00 -0.55 0.00 0.00 66.41 64.63 1aa6 h THR 707 Cb 0.16 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 1aa6 h THR 707 CO -0.19 0.40 -0.43 -0.09 -0.25 0.00 0.00 175.52 174.96 1aa6 h ARG 708 N 0.11 -0.91 -0.78 4.72 2.43 -0.35 0.91 114.38 120.51 1aa6 h ARG 708 Ca 0.01 0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1aa6 h ARG 708 Cb 0.71 0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 30.43 1aa6 h ARG 708 CO 0.05 -0.60 0.47 -0.07 -1.51 0.00 0.00 179.97 178.30 1aa6 h LEU 709 N -0.94 0.94 -0.49 3.80 3.38 -1.10 0.23 115.31 121.14 1aa6 h LEU 709 Ca -0.06 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1aa6 h LEU 709 Cb 0.80 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1aa6 h LEU 709 CO -0.01 0.74 0.22 -0.09 0.09 0.00 0.00 178.44 179.39 1aa6 h ARG 710 N 1.07 0.71 -0.15 1.13 2.43 -0.94 -0.70 114.38 117.93 1aa6 h ARG 710 Ca 0.28 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1aa6 h ARG 710 Cb -0.03 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1aa6 h ARG 710 CO -0.05 0.61 -0.10 0.93 -1.51 0.00 0.00 179.97 179.85 1aa6 h GLU 711 N 0.64 0.24 -0.14 0.20 5.08 0.16 0.25 114.58 121.01 1aa6 h GLU 711 Ca 0.17 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1aa6 h GLU 711 Cb 0.15 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1aa6 h GLU 711 CO -0.02 0.35 -0.12 0.00 -1.00 0.00 0.00 179.01 178.22 1aa6 h ALA 712 N 1.68 0.20 0.00 3.43 0.00 -0.02 -3.19 119.26 121.36 1aa6 h ALA 712 Ca 0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1aa6 h ALA 712 Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1aa6 h ALA 712 CO 0.02 0.06 -0.06 0.00 0.00 0.00 0.00 179.25 179.27 1aa6 h ALA 713 N 0.61 0.00 0.00 0.00 0.00 -0.87 -3.30 119.26 115.70 1aa6 h ALA 713 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1aa6 h ALA 713 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1aa6 h ALA 713 CO 0.03 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.51 1aa6 n LEU 714 N -4.65 0.00 -0.29 0.00 4.77 0.84 -5.04 117.00 112.63 1aa6 n LEU 714 Ca -0.10 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.03 1aa6 n LEU 714 Cb 0.43 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.21 1aa6 n LEU 714 CO 0.35 0.00 0.97 0.00 -1.33 0.00 0.00 177.39 177.38