#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fdi s LYS 2 N 0.00 1.44 -0.22 2.12 -2.85 -0.19 -4.98 119.74 115.07 1fdi s LYS 2 Ca 0.00 -1.74 0.02 0.00 -1.00 0.00 0.00 55.97 53.25 1fdi s LYS 2 Cb 0.00 -0.82 0.04 0.00 -2.06 0.00 0.00 37.83 35.00 1fdi s LYS 2 CO 0.00 -0.06 -0.13 0.15 0.10 0.00 0.00 175.35 175.40 1fdi s LYS 3 N -3.82 2.37 -0.37 1.78 1.02 -1.26 0.51 119.74 119.96 1fdi s LYS 3 Ca 0.30 -1.04 -0.08 0.00 0.02 0.00 0.00 55.97 55.16 1fdi s LYS 3 Cb 0.05 -2.65 0.04 0.00 -0.52 0.00 0.00 37.83 34.76 1fdi s LYS 3 CO 0.10 -0.43 0.17 0.08 -0.92 0.00 0.00 175.35 174.35 1fdi s VAL 4 N 1.25 4.13 0.44 3.17 1.01 0.66 -4.90 120.40 126.16 1fdi s VAL 4 Ca -0.03 -1.09 -0.26 0.00 0.00 0.00 0.00 61.98 60.60 1fdi s VAL 4 Cb -0.17 -3.36 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 1fdi s VAL 4 CO -0.08 -0.26 1.41 -0.69 0.00 0.00 0.00 175.10 175.48 1fdi s VAL 5 N 1.46 2.15 0.37 2.92 1.01 -1.26 -1.79 120.40 125.25 1fdi s VAL 5 Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 1fdi s VAL 5 Cb -0.20 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.13 1fdi s VAL 5 CO 0.04 0.02 0.60 0.28 0.00 0.00 0.00 175.10 176.04 1fdi s THR 6 N -1.20 0.00 -0.04 3.92 -1.32 0.86 -2.19 115.64 115.66 1fdi s THR 6 Ca 0.60 -1.39 0.05 0.00 -1.21 0.00 0.00 61.69 59.74 1fdi s THR 6 Cb -0.43 -2.78 -0.01 0.00 -1.51 0.00 0.00 72.50 67.77 1fdi s THR 6 CO 0.56 0.00 -0.21 -0.69 -2.21 0.00 0.00 174.62 172.07 1fdi s VAL 7 N -2.66 1.71 0.28 5.08 1.01 -1.26 -0.17 120.40 124.40 1fdi s VAL 7 Ca 0.26 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1fdi s VAL 7 Cb -0.02 -1.45 -0.13 0.00 0.00 0.00 0.00 36.38 34.78 1fdi s VAL 7 CO 0.18 0.48 1.38 0.00 0.00 0.00 0.00 175.10 177.14 1fdi n PRO 9 N 1.52 2.45 0.00 0.00 -0.04 -1.26 -4.76 135.00 132.90 1fdi n PRO 9 Ca 0.09 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.76 1fdi n PRO 9 Cb 0.33 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1fdi n PRO 9 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1fdi n TYR 10 N 0.78 0.00 -1.67 0.54 4.01 -1.26 -4.55 117.16 115.01 1fdi n TYR 10 Ca 0.16 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.63 1fdi n TYR 10 Cb 0.51 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.74 1fdi n TYR 10 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1fdi n ALA 12 N -4.02 2.86 0.17 0.00 0.00 -0.58 -3.45 120.51 115.49 1fdi n ALA 12 Ca -0.20 -0.62 0.02 0.00 0.00 0.00 0.00 53.44 52.65 1fdi n ALA 12 Cb 0.54 -1.03 0.30 0.00 0.00 0.00 0.00 19.45 19.26 1fdi n ALA 12 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1fdi h SER 13 N 1.42 0.00 -3.73 0.00 0.02 -1.90 0.16 113.55 109.53 1fdi h SER 13 Ca 0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 1fdi h SER 13 Cb 0.86 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.47 1fdi h SER 13 CO 0.13 0.46 -0.38 0.61 -1.14 0.00 0.00 176.83 176.51 1fdi n GLY 14 N -0.02 0.11 3.72 -3.77 0.00 -1.26 -4.76 105.19 99.22 1fdi n GLY 14 Ca -0.01 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1fdi n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fdi s LYS 16 N 1.05 4.59 0.16 0.00 -0.14 -1.26 0.02 119.74 124.16 1fdi s LYS 16 Ca 0.68 1.31 0.10 0.00 -1.36 0.00 0.00 55.97 56.70 1fdi s LYS 16 Cb -0.42 -3.40 -0.04 0.00 -1.68 0.00 0.00 37.83 32.28 1fdi s LYS 16 CO 0.32 0.14 -0.19 0.42 -0.76 0.00 0.00 175.35 175.28 1fdi s ILE 17 N 0.33 2.68 -0.29 2.17 1.01 0.76 -0.71 121.20 127.16 1fdi s ILE 17 Ca 0.46 -1.77 -0.03 0.00 0.00 0.00 0.00 60.65 59.30 1fdi s ILE 17 Cb -0.22 -2.27 0.03 0.00 0.01 0.00 0.00 42.46 40.02 1fdi s ILE 17 CO 0.27 -0.04 0.01 0.20 0.00 0.00 0.00 174.94 175.39 1fdi s ASN 18 N -2.50 4.84 -0.27 3.58 0.01 0.12 -0.10 114.94 120.62 1fdi s ASN 18 Ca 0.20 -1.05 -0.12 0.00 -0.71 0.00 0.00 52.86 51.18 1fdi s ASN 18 Cb -0.09 -1.75 -0.05 0.00 0.41 0.00 0.00 41.25 39.77 1fdi s ASN 18 CO 0.11 -0.22 0.25 -0.76 -1.51 0.00 0.00 177.10 174.96 1fdi s LEU 19 N 1.34 4.05 -0.39 0.60 1.43 -0.74 -1.38 118.68 123.58 1fdi s LEU 19 Ca -0.02 0.11 -0.22 0.00 -1.03 0.00 0.00 54.13 52.98 1fdi s LEU 19 Cb -0.18 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 43.83 1fdi s LEU 19 CO -0.01 -0.07 0.71 -0.69 0.23 0.00 0.00 176.35 176.52 1fdi s VAL 20 N 1.72 4.79 0.04 -1.59 1.01 0.44 -0.24 120.40 126.56 1fdi s VAL 20 Ca 0.10 0.56 -0.05 0.00 0.00 0.00 0.00 61.98 62.59 1fdi s VAL 20 Cb -0.16 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 1fdi s VAL 20 CO 0.10 -0.47 0.28 -0.69 0.00 0.00 0.00 175.10 174.31 1fdi s VAL 21 N 2.95 5.28 -0.12 2.92 1.01 0.18 -0.26 120.40 132.37 1fdi s VAL 21 Ca 0.27 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 1fdi s VAL 21 Cb -0.14 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.72 1fdi s VAL 21 CO 0.18 0.28 0.15 -0.62 0.00 0.00 0.00 175.10 175.09 1fdi s ASP 22 N -1.93 1.19 1.24 3.32 2.15 0.73 -1.02 116.67 122.35 1fdi s ASP 22 Ca 0.31 0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.32 1fdi s ASP 22 Cb -0.13 0.17 0.00 0.00 -0.30 0.00 0.00 42.92 42.66 1fdi s ASP 22 CO 0.19 -0.28 0.00 0.59 -0.17 0.00 0.00 175.17 175.50 1fdi n ASN 23 N 5.31 0.00 -2.38 -0.34 4.13 -1.26 -2.55 115.26 118.18 1fdi n ASN 23 Ca -0.05 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.07 1fdi n ASN 23 Cb 0.50 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.77 1fdi n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1fdi n GLY 24 N 0.00 4.43 3.06 7.41 0.00 -1.26 -5.05 105.19 113.78 1fdi n GLY 24 Ca 0.00 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 1fdi n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fdi s LYS 25 N -3.67 0.47 0.01 1.61 1.02 -1.06 -4.77 119.74 113.35 1fdi s LYS 25 Ca 0.41 -0.65 -0.28 0.00 0.02 0.00 0.00 55.97 55.46 1fdi s LYS 25 Cb 0.38 0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 37.83 1fdi s LYS 25 CO 0.00 -0.10 0.90 0.42 -0.92 0.00 0.00 175.35 175.65 1fdi s ILE 26 N -2.01 4.83 -0.14 2.17 1.01 -1.26 -0.19 121.20 125.61 1fdi s ILE 26 Ca -0.10 1.90 0.08 0.00 0.00 0.00 0.00 60.65 62.52 1fdi s ILE 26 Cb -0.05 -4.25 -0.14 0.00 0.01 0.00 0.00 42.46 38.04 1fdi s ILE 26 CO -0.02 0.22 -0.03 0.55 0.00 0.00 0.00 174.94 175.67 1fdi n VAL 27 N 3.59 0.89 -3.56 2.92 3.14 0.64 -4.90 118.33 121.05 1fdi n VAL 27 Ca 0.03 -0.47 -0.08 0.00 -2.96 0.00 0.00 64.34 60.86 1fdi n VAL 27 Cb 0.51 -0.81 -0.03 0.00 -1.06 0.00 0.00 33.84 32.44 1fdi n VAL 27 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1fdi s ARG 28 N -2.31 0.56 0.31 1.45 3.52 -1.16 -5.01 118.95 116.31 1fdi s ARG 28 Ca -0.12 -0.07 0.07 0.00 -0.13 0.00 0.00 55.73 55.49 1fdi s ARG 28 Cb 0.04 0.26 -0.03 0.00 -1.56 0.00 0.00 34.95 33.67 1fdi s ARG 28 CO 0.46 -0.22 0.26 0.00 -0.81 0.00 0.00 175.30 174.99 1fdi s ALA 29 N -2.04 3.74 -0.29 6.12 0.00 -1.26 -0.42 121.76 127.61 1fdi s ALA 29 Ca 0.04 -1.58 -0.17 0.00 0.00 0.00 0.00 51.96 50.25 1fdi s ALA 29 Cb -0.01 -1.21 0.18 0.00 0.00 0.00 0.00 23.12 22.08 1fdi s ALA 29 CO -0.04 0.09 1.14 -1.83 0.00 0.00 0.00 175.76 175.13 1fdi s GLU 30 N -3.94 0.20 0.20 0.00 -1.05 -0.48 -4.92 118.70 108.71 1fdi s GLU 30 Ca 0.38 0.34 -0.32 0.00 -0.15 0.00 0.00 54.97 55.22 1fdi s GLU 30 Cb -0.06 0.05 -0.15 0.00 -0.44 0.00 0.00 34.13 33.52 1fdi s GLU 30 CO 0.26 -0.04 1.25 0.00 0.95 0.00 0.00 175.26 177.68 1fdi n ALA 31 N 3.25 -0.07 -2.01 -0.84 0.00 -1.26 0.10 120.51 119.67 1fdi n ALA 31 Ca -0.17 0.44 -0.20 0.00 0.00 0.00 0.00 53.44 53.51 1fdi n ALA 31 Cb 0.57 -2.12 0.06 0.00 0.00 0.00 0.00 19.45 17.96 1fdi n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fdi s ALA 32 N -0.16 4.33 -1.14 0.00 0.00 0.11 -4.65 121.76 120.26 1fdi s ALA 32 Ca 0.71 -1.85 -0.06 0.00 0.00 0.00 0.00 51.96 50.76 1fdi s ALA 32 Cb -0.77 -1.70 0.27 0.00 0.00 0.00 0.00 23.12 20.91 1fdi s ALA 32 CO 0.51 -0.88 1.59 1.04 0.00 0.00 0.00 175.76 178.02 1fdi n GLN 33 N -2.32 4.23 -1.57 0.00 1.13 -1.26 -0.71 117.38 116.87 1fdi n GLN 33 Ca 0.13 -4.27 -0.30 0.00 -1.94 0.00 0.00 57.00 50.62 1fdi n GLN 33 Cb 0.61 -2.63 0.22 0.00 0.11 0.00 0.00 30.24 28.55 1fdi n GLN 33 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1fdi s GLY 34 N -0.99 1.72 0.02 1.08 0.00 -1.26 -4.79 107.32 103.10 1fdi s GLY 34 Ca 0.33 -1.20 -0.19 0.00 0.00 0.00 0.00 44.72 43.66 1fdi s GLY 34 CO 0.08 -0.33 1.17 1.70 0.00 0.00 0.00 173.10 175.71 1fdi h LYS 35 N -2.15 0.44 0.15 2.90 1.63 -1.89 -2.75 116.57 114.90 1fdi h LYS 35 Ca -0.44 -0.40 -0.29 0.00 -0.85 0.00 0.00 60.65 58.68 1fdi h LYS 35 Cb 1.25 0.09 0.01 0.00 -0.60 0.00 0.00 32.23 32.98 1fdi h LYS 35 CO 0.32 1.04 -1.29 1.79 -3.45 0.00 0.00 179.45 177.86 1fdi h THR 36 N -0.03 1.43 0.01 1.00 1.35 -1.85 -3.41 112.91 111.41 1fdi h THR 36 Ca -0.05 -2.91 -0.38 0.00 -0.55 0.00 0.00 66.41 62.52 1fdi h THR 36 Cb 1.17 2.93 -0.06 0.00 -1.73 0.00 0.00 68.15 70.46 1fdi h THR 36 CO 0.10 0.86 -2.41 -0.46 -0.25 0.00 0.00 175.52 173.36 1fdi n ASN 37 N -3.61 1.76 -3.25 5.36 6.94 -1.26 -4.95 115.26 116.26 1fdi n ASN 37 Ca -0.11 -0.08 -0.25 0.00 -0.02 0.00 0.00 54.58 54.12 1fdi n ASN 37 Cb 1.03 -0.30 0.02 0.00 -2.36 0.00 0.00 39.78 38.18 1fdi n ASN 37 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1fdi n GLN 38 N -3.22 -2.06 -0.82 -3.83 6.02 -1.04 -2.64 117.38 109.79 1fdi n GLN 38 Ca -0.43 1.66 0.00 0.00 -0.01 0.00 0.00 57.00 58.23 1fdi n GLN 38 Cb 1.02 -3.61 0.00 0.00 1.02 0.00 0.00 30.24 28.66 1fdi n GLN 38 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fdi n GLY 39 N -0.38 0.41 3.37 1.08 0.00 0.11 -4.95 105.19 104.83 1fdi n GLY 39 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1fdi n GLY 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fdi s THR 40 N -2.15 2.04 0.16 2.61 -4.23 -1.08 -4.64 115.64 108.35 1fdi s THR 40 Ca 0.00 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 58.41 1fdi s THR 40 Cb 0.00 -1.96 0.01 0.00 1.34 0.00 0.00 72.50 71.88 1fdi s THR 40 CO 0.00 -0.25 0.35 -0.76 -0.54 0.00 0.00 174.62 173.42 1fdi s LEU 41 N -2.71 0.71 0.00 4.79 1.43 -1.26 -4.77 118.68 116.86 1fdi s LEU 41 Ca 0.18 -0.71 0.05 0.00 -1.03 0.00 0.00 54.13 52.62 1fdi s LEU 41 Cb -0.06 1.49 0.08 0.00 0.03 0.00 0.00 46.19 47.73 1fdi s LEU 41 CO 0.08 -0.92 0.60 0.00 0.23 0.00 0.00 176.35 176.34 1fdi h LEU 43 N 0.00 0.84 0.16 0.00 5.85 -2.00 -2.77 115.31 117.40 1fdi h LEU 43 Ca -0.20 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1fdi h LEU 43 Cb 0.87 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1fdi h LEU 43 CO 0.27 0.39 -0.08 0.11 -0.34 0.00 0.00 178.44 178.79 1fdi h LYS 44 N 0.87 -0.21 -0.69 1.25 1.57 -1.94 0.13 116.57 117.55 1fdi h LYS 44 Ca 0.53 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.41 1fdi h LYS 44 Cb 0.68 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 1fdi h LYS 44 CO -0.30 0.19 0.46 0.78 -0.57 0.00 0.00 179.45 180.00 1fdi h GLY 45 N -0.68 0.80 0.84 3.86 0.00 -1.91 1.20 103.07 107.18 1fdi h GLY 45 Ca -0.02 -0.23 -0.15 0.00 0.00 0.00 0.00 47.33 46.92 1fdi h GLY 45 CO 0.04 0.14 -0.57 -1.82 0.00 0.00 0.00 176.54 174.33 1fdi h TYR 46 N 0.57 0.66 0.00 5.60 5.03 -1.41 -3.39 116.97 124.03 1fdi h TYR 46 Ca 0.32 -0.33 0.00 0.00 2.58 0.00 0.00 58.73 61.30 1fdi h TYR 46 Cb 0.48 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.67 1fdi h TYR 46 CO -0.00 1.13 -1.55 0.66 -1.32 0.00 0.00 178.16 177.08 1fdi n TYR 47 N -4.22 0.00 -0.87 -3.82 4.01 0.43 -4.46 117.16 108.23 1fdi n TYR 47 Ca -0.09 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.51 1fdi n TYR 47 Cb 0.64 -0.30 0.01 0.00 -0.31 0.00 0.00 39.34 39.39 1fdi n TYR 47 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fdi n GLY 48 N 1.48 3.73 0.03 2.72 0.00 0.41 -4.25 105.19 109.30 1fdi n GLY 48 Ca -0.02 -0.94 0.02 0.00 0.00 0.00 0.00 46.02 45.09 1fdi n GLY 48 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1fdi n TRP 49 N 0.75 0.00 1.28 1.61 4.27 -1.26 -4.63 117.44 119.45 1fdi n TRP 49 Ca 0.26 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.87 1fdi n TRP 49 Cb 0.57 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.52 1fdi n TRP 49 CO 0.00 0.00 0.00 -0.40 -2.29 0.00 0.00 177.69 175.00 1fdi n ASP 50 N -0.91 0.69 0.11 -0.67 5.75 -1.26 -2.88 116.55 117.38 1fdi n ASP 50 Ca 0.01 -1.97 0.12 0.00 -0.01 0.00 0.00 54.79 52.94 1fdi n ASP 50 Cb 0.08 -0.35 0.24 0.00 -1.03 0.00 0.00 41.12 40.07 1fdi n ASP 50 CO 0.00 0.00 0.00 2.19 -0.11 0.00 0.00 177.20 179.28 1fdi h PHE 51 N 0.01 0.00 -0.38 2.11 -5.15 -1.82 -3.15 116.94 108.55 1fdi h PHE 51 Ca 0.00 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.70 1fdi h PHE 51 Cb 0.35 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.50 1fdi h PHE 51 CO 0.00 0.00 -0.04 0.82 -2.00 0.00 0.00 178.31 177.09 1fdi h ILE 52 N 0.00 1.23 -0.03 0.88 2.04 -1.88 -3.25 117.51 116.49 1fdi h ILE 52 Ca 0.00 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1fdi h ILE 52 Cb 0.82 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1fdi h ILE 52 CO 0.00 0.33 0.00 0.59 0.00 0.00 0.00 178.15 179.07 1fdi n ASN 53 N -4.22 0.78 -3.54 1.72 3.02 -1.19 -4.91 115.26 106.91 1fdi n ASN 53 Ca 0.02 -2.03 -0.20 0.00 -0.03 0.00 0.00 54.58 52.34 1fdi n ASN 53 Cb 0.30 -0.30 0.06 0.00 -0.61 0.00 0.00 39.78 39.23 1fdi n ASN 53 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1fdi n ASP 54 N -0.15 -2.65 -0.17 6.41 2.03 -1.23 -4.91 116.55 115.88 1fdi n ASP 54 Ca 0.01 -0.76 -0.03 0.00 0.52 0.00 0.00 54.79 54.54 1fdi n ASP 54 Cb 0.18 -4.52 0.07 0.00 -0.72 0.00 0.00 41.12 36.12 1fdi n ASP 54 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1fdi h THR 55 N -1.76 0.82 -0.22 5.18 1.35 -1.81 -3.47 112.91 113.00 1fdi h THR 55 Ca -0.61 -0.12 -0.09 0.00 -0.55 0.00 0.00 66.41 65.04 1fdi h THR 55 Cb 1.34 0.43 -0.04 0.00 -1.73 0.00 0.00 68.15 68.16 1fdi h THR 55 CO 0.52 0.06 -0.08 0.00 -0.25 0.00 0.00 175.52 175.77 1fdi n GLN 56 N -5.01 -0.31 0.26 4.72 6.02 -1.26 -4.90 117.38 116.89 1fdi n GLN 56 Ca 0.06 0.65 0.10 0.00 -0.01 0.00 0.00 57.00 57.80 1fdi n GLN 56 Cb 0.21 -4.34 0.68 0.00 1.02 0.00 0.00 30.24 27.81 1fdi n GLN 56 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1fdi h ILE 57 N 0.00 0.81 0.00 5.09 2.04 -1.87 -3.38 117.51 120.20 1fdi h ILE 57 Ca -0.09 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1fdi h ILE 57 Cb 0.31 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1fdi h ILE 57 CO 0.14 0.10 -0.46 -0.11 0.00 0.00 0.00 178.15 177.81 1fdi n LEU 58 N -4.04 0.28 -3.75 1.44 7.94 -1.26 -5.00 117.00 112.60 1fdi n LEU 58 Ca -0.02 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.75 1fdi n LEU 58 Cb 0.18 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.02 1fdi n LEU 58 CO 0.32 -0.17 -0.00 -0.89 -1.11 0.00 0.00 177.39 175.54 1fdi s THR 59 N -1.89 -0.01 0.23 1.96 2.01 -1.26 -4.82 115.64 111.86 1fdi s THR 59 Ca 0.00 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.72 1fdi s THR 59 Cb 0.00 -0.47 -0.09 0.00 0.01 0.00 0.00 72.50 71.95 1fdi s THR 59 CO 0.00 0.01 0.95 -2.16 -0.69 0.00 0.00 174.62 172.73 1fdi s PRO 60 N 0.38 4.83 0.58 4.92 0.04 -1.26 -4.17 135.00 140.31 1fdi s PRO 60 Ca -0.02 1.50 -0.20 0.00 0.04 0.00 0.00 61.00 62.33 1fdi s PRO 60 Cb -0.04 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 1fdi s PRO 60 CO -0.02 0.47 1.12 -2.13 0.04 0.00 0.00 177.00 176.49 1fdi n ARG 61 N 1.63 1.19 -2.44 4.56 3.00 -1.26 -2.85 116.66 120.49 1fdi n ARG 61 Ca -0.01 0.45 -0.43 0.00 -0.00 0.00 0.00 57.85 57.86 1fdi n ARG 61 Cb 0.47 -2.32 -0.02 0.00 0.00 0.00 0.00 32.46 30.59 1fdi n ARG 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1fdi s LEU 62 N -2.60 4.24 -0.13 6.15 1.43 -1.13 -4.80 118.68 121.84 1fdi s LEU 62 Ca 0.74 1.77 0.13 0.00 -1.03 0.00 0.00 54.13 55.74 1fdi s LEU 62 Cb -0.43 -3.55 -0.18 0.00 0.03 0.00 0.00 46.19 42.07 1fdi s LEU 62 CO 0.48 -0.67 0.06 0.29 0.23 0.00 0.00 176.35 176.74 1fdi n LYS 63 N 5.84 1.63 -4.00 1.70 5.02 -1.26 -4.85 118.16 122.24 1fdi n LYS 63 Ca 0.12 -0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.32 1fdi n LYS 63 Cb 0.45 -1.36 -0.10 0.00 -0.02 0.00 0.00 35.03 34.00 1fdi n LYS 63 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1fdi s THR 64 N -2.38 0.16 0.75 -0.18 -4.23 -1.26 -4.55 115.64 103.95 1fdi s THR 64 Ca -0.07 -1.31 -0.14 0.00 -1.18 0.00 0.00 61.69 59.00 1fdi s THR 64 Cb 0.04 -0.96 0.05 0.00 1.34 0.00 0.00 72.50 72.98 1fdi s THR 64 CO 0.58 -0.72 1.17 -2.84 -0.54 0.00 0.00 174.62 172.27 1fdi s PRO 65 N -2.81 2.07 0.09 3.99 0.02 -1.25 -4.66 135.00 132.46 1fdi s PRO 65 Ca -0.03 1.60 -0.05 0.00 0.02 0.00 0.00 61.00 62.54 1fdi s PRO 65 Cb -0.00 -1.84 -0.02 0.00 0.02 0.00 0.00 34.50 32.66 1fdi s PRO 65 CO -0.06 -1.85 0.11 -1.64 -0.33 0.00 0.00 177.00 173.23 1fdi s MET 66 N -4.16 0.81 -0.11 5.54 -1.94 -0.48 -1.79 119.30 117.16 1fdi s MET 66 Ca 0.70 -1.13 -0.09 0.00 -1.71 0.00 0.00 55.69 53.47 1fdi s MET 66 Cb -0.25 0.29 0.03 0.00 2.01 0.00 0.00 34.83 36.91 1fdi s MET 66 CO 0.48 -0.23 0.28 0.42 -0.01 0.00 0.00 175.02 175.95 1fdi s ILE 67 N -3.91 -0.01 -0.63 2.53 1.01 -1.15 -1.11 121.20 117.93 1fdi s ILE 67 Ca 0.09 0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.71 1fdi s ILE 67 Cb 0.06 -0.39 0.16 0.00 0.01 0.00 0.00 42.46 42.30 1fdi s ILE 67 CO -0.08 0.01 0.47 -0.60 0.00 0.00 0.00 174.94 174.74 1fdi s ARG 68 N 0.34 2.72 0.53 2.79 3.52 0.20 -2.75 118.95 126.30 1fdi s ARG 68 Ca -0.02 -2.35 0.22 0.00 -0.13 0.00 0.00 55.73 53.45 1fdi s ARG 68 Cb -0.03 -3.89 1.43 0.00 -1.56 0.00 0.00 34.95 30.90 1fdi s ARG 68 CO -0.01 -1.19 2.14 0.00 -0.81 0.00 0.00 175.30 175.43 1fdi h ARG 69 N 7.47 0.00 -6.52 5.12 3.08 -1.83 -3.43 114.38 118.27 1fdi h ARG 69 Ca -0.03 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.37 1fdi h ARG 69 Cb 0.99 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.79 1fdi h ARG 69 CO 0.74 0.05 -0.86 -1.14 -1.07 0.00 0.00 179.97 177.69 1fdi s GLN 70 N -4.72 1.56 0.13 0.04 0.74 -1.26 -5.02 119.66 111.13 1fdi s GLN 70 Ca -0.04 -1.10 0.22 0.00 0.05 0.00 0.00 55.36 54.48 1fdi s GLN 70 Cb 0.16 -1.77 0.87 0.00 1.10 0.00 0.00 33.01 33.37 1fdi s GLN 70 CO 0.62 0.45 1.67 0.54 -0.55 0.00 0.00 175.29 178.02 1fdi n ARG 71 N 1.61 0.11 -0.01 1.67 5.12 -1.26 -3.15 116.66 120.76 1fdi n ARG 71 Ca -0.17 0.27 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 1fdi n ARG 71 Cb 0.53 -1.69 0.00 0.00 -1.16 0.00 0.00 32.46 30.14 1fdi n ARG 71 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1fdi n GLY 72 N 0.43 1.92 0.22 -0.13 0.00 -1.26 -4.95 105.19 101.42 1fdi n GLY 72 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1fdi n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fdi n GLY 73 N 0.54 -2.98 1.40 -0.02 0.00 -1.19 -5.10 105.19 97.84 1fdi n GLY 73 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1fdi n GLY 73 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fdi n LYS 74 N -0.61 0.00 -3.08 1.61 4.81 -1.26 -4.59 118.16 115.04 1fdi n LYS 74 Ca 0.00 0.47 -0.45 0.00 -0.87 0.00 0.00 58.31 57.46 1fdi n LYS 74 Cb 0.00 -0.93 -0.02 0.00 0.02 0.00 0.00 35.03 34.09 1fdi n LYS 74 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1fdi s LEU 75 N 0.00 5.68 -0.12 3.14 2.96 -1.26 -4.42 118.68 124.66 1fdi s LEU 75 Ca 0.00 -2.27 -0.15 0.00 -0.22 0.00 0.00 54.13 51.50 1fdi s LEU 75 Cb 0.00 -2.33 -0.05 0.00 0.50 0.00 0.00 46.19 44.31 1fdi s LEU 75 CO 0.00 -0.89 0.35 -1.61 -1.32 0.00 0.00 176.35 172.88 1fdi s GLU 76 N 1.77 4.17 0.71 1.98 0.41 -1.11 -4.84 118.70 121.79 1fdi s GLU 76 Ca 0.27 0.22 -0.16 0.00 -0.41 0.00 0.00 54.97 54.89 1fdi s GLU 76 Cb -0.07 -3.38 -0.01 0.00 -1.78 0.00 0.00 34.13 28.89 1fdi s GLU 76 CO -0.09 0.33 0.79 -0.35 -0.49 0.00 0.00 175.26 175.46 1fdi n PRO 77 N 3.19 0.44 -3.62 0.39 -0.04 -1.26 -2.94 135.00 131.15 1fdi n PRO 77 Ca -0.12 0.20 -0.14 0.00 -0.04 0.00 0.00 63.50 63.41 1fdi n PRO 77 Cb 0.52 -2.06 -0.06 0.00 -0.04 0.00 0.00 33.50 31.86 1fdi n PRO 77 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1fdi s VAL 78 N -1.84 0.04 0.94 0.52 1.01 -0.74 -4.85 120.40 115.47 1fdi s VAL 78 Ca 0.70 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 62.23 1fdi s VAL 78 Cb -0.35 -0.94 0.15 0.00 0.00 0.00 0.00 36.38 35.24 1fdi s VAL 78 CO 0.53 -0.18 1.10 -0.94 0.00 0.00 0.00 175.10 175.61 1fdi s SER 79 N -1.89 3.19 0.02 3.32 1.04 -1.26 -3.84 113.70 114.28 1fdi s SER 79 Ca -0.06 1.20 -0.08 0.00 0.48 0.00 0.00 55.95 57.48 1fdi s SER 79 Cb -0.01 -1.85 -0.04 0.00 0.10 0.00 0.00 66.02 64.22 1fdi s SER 79 CO -0.01 -2.78 1.13 -0.50 0.98 0.00 0.00 173.24 172.06 1fdi h TRP 80 N -1.65 -0.32 -0.94 5.02 4.06 -1.99 -1.06 115.95 119.08 1fdi h TRP 80 Ca -0.52 0.00 0.26 0.00 2.06 0.00 0.00 58.89 60.69 1fdi h TRP 80 Cb 1.32 0.12 -0.17 0.00 -1.00 0.00 0.00 29.16 29.42 1fdi h TRP 80 CO 0.33 -0.16 0.01 -3.47 -3.56 0.00 0.00 178.44 171.60 1fdi n ASP 81 N -2.99 -0.11 -0.18 -3.49 -0.08 -1.26 0.72 116.55 109.16 1fdi n ASP 81 Ca -0.03 1.59 -0.06 0.00 -1.51 0.00 0.00 54.79 54.78 1fdi n ASP 81 Cb 0.11 -0.58 0.10 0.00 2.34 0.00 0.00 41.12 43.09 1fdi n ASP 81 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1fdi h GLU 82 N 0.00 0.96 0.18 -0.67 4.81 -1.80 -0.91 114.58 117.16 1fdi h GLU 82 Ca 0.57 -0.26 -0.32 0.00 -0.13 0.00 0.00 59.36 59.22 1fdi h GLU 82 Cb 1.16 -0.11 0.03 0.00 0.63 0.00 0.00 28.75 30.46 1fdi h GLU 82 CO -0.88 0.92 -1.35 0.00 -0.73 0.00 0.00 179.01 176.97 1fdi h ALA 83 N 1.14 -0.07 -0.10 2.92 0.00 0.16 -2.87 119.26 120.45 1fdi h ALA 83 Ca 0.17 -0.82 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 1fdi h ALA 83 Cb 0.46 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1fdi h ALA 83 CO 0.02 0.71 -0.13 -0.07 0.00 0.00 0.00 179.25 179.78 1fdi h LEU 84 N 0.21 0.14 -0.14 0.00 3.38 -0.39 -0.30 115.31 118.20 1fdi h LEU 84 Ca -0.22 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.51 1fdi h LEU 84 Cb 2.03 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 1fdi h LEU 84 CO 0.25 0.29 -0.98 -1.13 0.09 0.00 0.00 178.44 176.96 1fdi h ASN 85 N 0.14 0.28 -0.32 -0.43 -0.73 -1.26 -2.17 115.58 111.08 1fdi h ASN 85 Ca 0.03 -0.25 -0.02 0.00 1.87 0.00 0.00 56.30 57.92 1fdi h ASN 85 Cb 0.32 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 1fdi h ASN 85 CO 0.02 1.10 0.10 0.22 -0.37 0.00 0.00 177.43 178.51 1fdi h TYR 86 N 0.09 0.52 0.50 0.67 5.03 -1.08 0.25 116.97 122.95 1fdi h TYR 86 Ca -0.06 -0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.17 1fdi h TYR 86 Cb 1.65 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 39.79 1fdi h TYR 86 CO 0.04 0.52 -0.24 0.28 -1.32 0.00 0.00 178.16 177.43 1fdi h VAL 87 N 0.37 0.22 -0.38 1.81 2.07 -1.13 -0.91 116.25 118.30 1fdi h VAL 87 Ca 0.10 -0.50 0.11 0.00 0.82 0.00 0.00 66.70 67.23 1fdi h VAL 87 Cb 0.24 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1fdi h VAL 87 CO -0.00 0.04 0.28 0.00 0.02 0.00 0.00 177.57 177.91 1fdi h ALA 88 N -0.92 2.33 0.08 1.67 0.00 -1.39 0.16 119.26 121.21 1fdi h ALA 88 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1fdi h ALA 88 Cb 0.58 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1fdi h ALA 88 CO 0.11 -0.48 -0.04 1.49 0.00 0.00 0.00 179.25 180.33 1fdi h GLU 89 N 0.00 -0.11 0.17 0.00 4.81 -0.51 -2.65 114.58 116.30 1fdi h GLU 89 Ca 0.18 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1fdi h GLU 89 Cb 0.75 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 1fdi h GLU 89 CO -0.00 0.38 -0.30 0.00 -0.73 0.00 0.00 179.01 178.36 1fdi h ARG 90 N -0.93 -0.53 -0.64 1.92 2.47 -0.30 0.01 114.38 116.38 1fdi h ARG 90 Ca -0.01 0.04 0.08 0.00 -1.26 0.00 0.00 59.98 58.82 1fdi h ARG 90 Cb 0.54 0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 28.94 1fdi h ARG 90 CO 0.02 -0.36 0.42 -0.07 0.56 0.00 0.00 179.97 180.55 1fdi h LEU 91 N -0.55 0.50 0.28 3.04 3.38 -0.86 0.23 115.31 121.32 1fdi h LEU 91 Ca 0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1fdi h LEU 91 Cb 0.56 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1fdi h LEU 91 CO -0.14 0.32 -0.13 0.28 0.09 0.00 0.00 178.44 178.85 1fdi h SER 92 N 0.57 -0.32 0.11 -0.43 0.02 -0.91 -1.16 113.55 111.42 1fdi h SER 92 Ca 0.28 -0.14 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1fdi h SER 92 Cb 0.37 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.96 1fdi h SER 92 CO -0.09 -0.04 -0.31 0.00 -1.14 0.00 0.00 176.83 175.25 1fdi h ALA 93 N 0.04 -0.53 -0.19 3.77 0.00 -0.40 -1.08 119.26 120.89 1fdi h ALA 93 Ca -0.04 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1fdi h ALA 93 Cb 0.44 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1fdi h ALA 93 CO 0.06 -0.85 0.16 0.82 0.00 0.00 0.00 179.25 179.44 1fdi h ILE 94 N -0.53 0.68 0.09 0.00 2.04 -0.55 -1.90 117.51 117.34 1fdi h ILE 94 Ca 0.03 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.74 1fdi h ILE 94 Cb 0.56 0.88 0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1fdi h ILE 94 CO -0.19 0.00 -0.67 0.50 0.00 0.00 0.00 178.15 177.79 1fdi h LYS 95 N 0.00 0.30 0.42 2.37 3.64 -0.06 -2.27 116.57 120.96 1fdi h LYS 95 Ca 0.09 -0.44 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 1fdi h LYS 95 Cb 0.41 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1fdi h LYS 95 CO -0.00 1.17 -0.20 0.93 -2.27 0.00 0.00 179.45 179.08 1fdi h GLU 96 N -0.36 -0.54 -0.85 1.90 4.39 -1.02 0.38 114.58 118.48 1fdi h GLU 96 Ca -0.11 0.04 0.22 0.00 0.34 0.00 0.00 59.36 59.85 1fdi h GLU 96 Cb 1.48 0.12 -0.14 0.00 -0.10 0.00 0.00 28.75 30.12 1fdi h GLU 96 CO 0.13 -0.36 0.18 -0.22 -1.16 0.00 0.00 179.01 177.58 1fdi h LYS 97 N -0.73 0.18 -0.02 2.33 3.64 -1.50 -2.89 116.57 117.59 1fdi h LYS 97 Ca -0.06 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1fdi h LYS 97 Cb 0.43 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1fdi h LYS 97 CO 0.09 0.12 0.00 0.66 -2.27 0.00 0.00 179.45 178.06 1fdi n TYR 98 N -5.25 0.02 0.00 1.91 4.01 -0.85 -5.10 117.16 111.90 1fdi n TYR 98 Ca 0.19 -0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 1fdi n TYR 98 Cb 0.63 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 1fdi n TYR 98 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fdi n GLY 99 N -0.25 -0.24 0.28 2.72 0.00 0.13 -4.41 105.19 103.43 1fdi n GLY 99 Ca 0.01 -1.68 0.01 0.00 0.00 0.00 0.00 46.02 44.36 1fdi n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fdi h PRO 100 N 0.00 0.56 0.00 1.61 0.13 -1.81 -2.87 132.00 129.61 1fdi h PRO 100 Ca 0.00 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1fdi h PRO 100 Cb 0.00 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.04 1fdi h PRO 100 CO 0.00 0.52 0.00 -0.44 -0.23 0.00 0.00 178.00 177.85 1fdi h ASP 101 N 0.55 0.00 0.28 1.44 5.19 -1.85 -2.44 116.42 119.59 1fdi h ASP 101 Ca 0.13 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1fdi h ASP 101 Cb 0.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1fdi h ASP 101 CO -0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 1fdi n ALA 102 N -1.97 1.57 -2.47 3.45 0.00 -1.08 -4.69 120.51 115.32 1fdi n ALA 102 Ca -0.02 -0.04 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 1fdi n ALA 102 Cb 0.10 -1.17 -0.13 0.00 0.00 0.00 0.00 19.45 18.25 1fdi n ALA 102 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1fdi s ILE 103 N -2.78 2.96 -0.03 0.00 1.01 -0.92 0.17 121.20 121.62 1fdi s ILE 103 Ca 0.08 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.87 1fdi s ILE 103 Cb 0.07 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 1fdi s ILE 103 CO 0.18 0.50 -0.15 -1.58 0.00 0.00 0.00 174.94 173.88 1fdi s GLN 104 N -0.99 1.41 0.38 2.79 2.00 -0.75 -4.75 119.66 119.74 1fdi s GLN 104 Ca 0.13 -0.52 0.06 0.00 -2.00 0.00 0.00 55.36 53.02 1fdi s GLN 104 Cb -0.11 -1.29 -0.07 0.00 0.80 0.00 0.00 33.01 32.34 1fdi s GLN 104 CO 0.02 0.25 0.02 0.95 -0.50 0.00 0.00 175.29 176.03 1fdi s THR 105 N -0.08 1.75 -0.00 -0.34 -4.23 -1.01 0.39 115.64 112.11 1fdi s THR 105 Ca 0.00 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 58.46 1fdi s THR 105 Cb -0.09 -2.91 -0.00 0.00 1.34 0.00 0.00 72.50 70.84 1fdi s THR 105 CO 0.01 -0.02 0.07 0.42 -0.54 0.00 0.00 174.62 174.56 1fdi s THR 106 N -2.90 0.06 0.00 3.99 -4.23 -1.10 -3.50 115.64 107.97 1fdi s THR 106 Ca 0.35 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 1fdi s THR 106 Cb 0.09 -0.28 0.00 0.00 1.34 0.00 0.00 72.50 73.65 1fdi s THR 106 CO 0.17 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 1fdi n GLY 107 N 2.01 0.21 3.56 3.99 0.00 -0.42 -4.24 105.19 110.30 1fdi n GLY 107 Ca -0.20 -1.65 -0.06 0.00 0.00 0.00 0.00 46.02 44.11 1fdi n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fdi s SER 108 N -1.00 -0.88 0.00 1.61 0.15 -1.26 -4.63 113.70 107.68 1fdi s SER 108 Ca 0.00 1.41 0.16 0.00 0.70 0.00 0.00 55.95 58.22 1fdi s SER 108 Cb 0.00 1.47 0.46 0.00 -1.71 0.00 0.00 66.02 66.24 1fdi s SER 108 CO 0.00 -0.23 1.38 -1.20 1.20 0.00 0.00 173.24 174.39 1fdi n SER 109 N 4.58 2.57 0.00 5.45 7.64 -1.26 -4.69 113.62 127.91 1fdi n SER 109 Ca -0.18 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.73 1fdi n SER 109 Cb 0.56 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 1fdi n SER 109 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1fdi n ARG 110 N 0.90 0.51 0.00 1.43 5.12 -1.26 -0.15 116.66 123.22 1fdi n ARG 110 Ca 0.17 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 56.11 1fdi n ARG 110 Cb 0.42 0.00 0.14 0.00 -1.16 0.00 0.00 32.46 31.85 1fdi n ARG 110 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1fdi n GLY 111 N 5.00 -0.37 0.27 -0.13 0.00 -1.26 -3.91 105.19 104.79 1fdi n GLY 111 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1fdi n GLY 111 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1fdi h THR 112 N 0.00 1.27 0.00 2.61 1.35 -1.91 -3.41 112.91 112.82 1fdi h THR 112 Ca 0.00 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.35 1fdi h THR 112 Cb 0.03 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1fdi h THR 112 CO 0.00 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 1fdi n GLY 113 N 0.07 1.48 0.22 5.82 0.00 -1.25 -4.51 105.19 107.02 1fdi n GLY 113 Ca -0.02 -2.04 -0.04 0.00 0.00 0.00 0.00 46.02 43.93 1fdi n GLY 113 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1fdi h ASN 114 N 0.00 0.43 -0.57 1.61 2.35 -0.96 -3.26 115.58 115.17 1fdi h ASN 114 Ca 0.00 -0.16 0.09 0.00 -0.55 0.00 0.00 56.30 55.68 1fdi h ASN 114 Cb 0.00 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.18 1fdi h ASN 114 CO 0.00 0.74 0.17 -0.33 -1.65 0.00 0.00 177.43 176.36 1fdi h GLU 115 N 0.36 0.32 0.01 0.81 3.07 -1.84 -1.24 114.58 116.06 1fdi h GLU 115 Ca 0.04 -0.02 -0.21 0.00 -0.50 0.00 0.00 59.36 58.67 1fdi h GLU 115 Cb 0.75 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.56 1fdi h GLU 115 CO 0.06 0.21 -1.00 1.79 -1.40 0.00 0.00 179.01 178.66 1fdi h THR 116 N 0.33 1.71 -0.78 1.13 1.35 -1.79 -2.08 112.91 112.77 1fdi h THR 116 Ca 0.29 -3.39 -0.02 0.00 -0.55 0.00 0.00 66.41 62.74 1fdi h THR 116 Cb 0.38 2.84 -0.04 0.00 -1.73 0.00 0.00 68.15 69.61 1fdi h THR 116 CO -0.33 0.97 0.41 0.78 -0.25 0.00 0.00 175.52 177.10 1fdi h ASN 117 N 0.00 0.98 0.11 5.36 2.35 -1.49 -0.71 115.58 122.19 1fdi h ASN 117 Ca -0.02 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1fdi h ASN 117 Cb 1.77 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.89 1fdi h ASN 117 CO 0.13 0.80 -0.05 0.22 -1.65 0.00 0.00 177.43 176.88 1fdi h TYR 118 N 1.09 -0.14 -0.54 1.19 3.20 -1.17 -2.10 116.97 118.51 1fdi h TYR 118 Ca 0.27 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.24 1fdi h TYR 118 Cb 0.06 0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.29 1fdi h TYR 118 CO 0.01 0.11 0.08 0.28 -1.64 0.00 0.00 178.16 176.99 1fdi h VAL 119 N -0.38 0.66 -0.68 1.81 2.07 -1.01 -1.66 116.25 117.05 1fdi h VAL 119 Ca -0.02 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.46 1fdi h VAL 119 Cb 0.31 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1fdi h VAL 119 CO 0.03 0.04 0.43 -0.03 0.02 0.00 0.00 177.57 178.05 1fdi h MET 120 N 0.21 0.81 -0.37 1.57 1.85 -0.84 0.31 114.93 118.47 1fdi h MET 120 Ca 0.27 -0.05 -0.04 0.00 -0.61 0.00 0.00 59.70 59.27 1fdi h MET 120 Cb 0.40 -0.18 -0.01 0.00 0.43 0.00 0.00 31.60 32.23 1fdi h MET 120 CO -0.38 0.54 0.07 -0.56 -0.40 0.00 0.00 176.91 176.18 1fdi h GLN 121 N 0.84 0.61 -0.85 0.39 -0.00 -1.09 -1.27 115.11 113.73 1fdi h GLN 121 Ca 0.28 -0.16 0.12 0.00 -0.00 0.00 0.00 58.65 58.89 1fdi h GLN 121 Cb 0.02 -0.07 -0.06 0.00 -0.00 0.00 0.00 27.48 27.36 1fdi h GLN 121 CO -0.11 0.66 0.55 -0.22 -0.00 0.00 0.00 178.83 179.71 1fdi h LYS 122 N 0.46 0.68 0.23 0.06 3.64 -0.26 0.19 116.57 121.56 1fdi h LYS 122 Ca 0.11 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1fdi h LYS 122 Cb 0.34 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1fdi h LYS 122 CO 0.00 0.45 -0.11 0.35 -2.27 0.00 0.00 179.45 177.87 1fdi h PHE 123 N 0.70 -0.29 -0.50 1.91 3.57 0.15 -0.21 116.94 122.27 1fdi h PHE 123 Ca 0.41 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.99 1fdi h PHE 123 Cb 0.61 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.37 1fdi h PHE 123 CO -0.00 0.08 0.12 0.00 -2.23 0.00 0.00 178.31 176.28 1fdi h ALA 124 N -0.13 0.58 0.07 2.41 0.00 0.03 0.39 119.26 122.61 1fdi h ALA 124 Ca -0.03 0.10 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 1fdi h ALA 124 Cb 0.50 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1fdi h ALA 124 CO 0.05 -0.29 -1.12 0.00 0.00 0.00 0.00 179.25 177.90 1fdi h ARG 125 N 0.26 0.48 0.00 0.00 3.08 -0.76 1.05 114.38 118.50 1fdi h ARG 125 Ca 0.25 -0.61 -0.19 0.00 0.07 0.00 0.00 59.98 59.50 1fdi h ARG 125 Cb 0.33 0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 1fdi h ARG 125 CO -0.31 1.24 -1.95 0.00 -1.07 0.00 0.00 179.97 177.89 1fdi n ALA 126 N -2.60 2.06 -0.10 0.04 0.00 -0.09 -3.66 120.51 116.16 1fdi n ALA 126 Ca -0.10 -0.82 -0.21 0.00 0.00 0.00 0.00 53.44 52.31 1fdi n ALA 126 Cb 0.93 -0.61 -0.08 0.00 0.00 0.00 0.00 19.45 19.69 1fdi n ALA 126 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1fdi n VAL 127 N -2.64 1.15 0.07 0.00 0.31 0.13 -4.65 118.33 112.71 1fdi n VAL 127 Ca -0.16 -0.32 -0.22 0.00 -0.01 0.00 0.00 64.34 63.63 1fdi n VAL 127 Cb 0.87 -1.68 -0.15 0.00 -0.91 0.00 0.00 33.84 31.96 1fdi n VAL 127 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1fdi h ILE 128 N -0.62 1.37 -0.40 2.52 1.08 -1.12 -3.49 117.51 116.85 1fdi h ILE 128 Ca -0.52 -2.56 0.00 0.00 -0.39 0.00 0.00 64.86 61.39 1fdi h ILE 128 Cb 1.51 3.09 0.00 0.00 -3.07 0.00 0.00 36.82 38.35 1fdi h ILE 128 CO -0.28 0.75 0.00 0.61 -0.69 0.00 0.00 178.15 178.54 1fdi n GLY 129 N 1.70 0.96 3.16 5.37 0.00 0.34 -4.60 105.19 112.12 1fdi n GLY 129 Ca -0.16 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 1fdi n GLY 129 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fdi s THR 130 N -2.34 0.92 -0.79 2.61 2.01 0.13 -4.63 115.64 113.54 1fdi s THR 130 Ca 0.00 -1.55 0.17 0.00 0.31 0.00 0.00 61.69 60.62 1fdi s THR 130 Cb 0.00 -1.25 0.74 0.00 0.01 0.00 0.00 72.50 72.00 1fdi s THR 130 CO 0.00 -0.51 1.66 0.59 -0.69 0.00 0.00 174.62 175.67 1fdi n ASN 131 N 0.73 5.04 -4.46 3.53 3.02 -1.26 -2.58 115.26 119.28 1fdi n ASN 131 Ca -0.17 -2.63 -0.38 0.00 -0.03 0.00 0.00 54.58 51.37 1fdi n ASN 131 Cb 0.57 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 39.11 1fdi n ASN 131 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1fdi n ASN 132 N 0.88 4.10 -3.81 6.41 4.13 -1.26 -2.83 115.26 122.88 1fdi n ASN 132 Ca 0.26 -2.83 -0.15 0.00 1.68 0.00 0.00 54.58 53.54 1fdi n ASN 132 Cb 0.99 -1.70 -0.16 0.00 -1.54 0.00 0.00 39.78 37.37 1fdi n ASN 132 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1fdi s VAL 133 N 6.44 0.05 0.03 2.41 -7.23 -1.26 -2.42 120.40 118.43 1fdi s VAL 133 Ca 0.58 0.13 -0.24 0.00 -1.81 0.00 0.00 61.98 60.64 1fdi s VAL 133 Cb 0.04 -0.16 0.06 0.00 0.56 0.00 0.00 36.38 36.88 1fdi s VAL 133 CO 0.09 0.10 0.56 -0.62 -0.31 0.00 0.00 175.10 174.92 1fdi s ASP 134 N 0.90 -0.50 0.39 4.85 2.15 -1.23 0.05 116.67 123.29 1fdi s ASP 134 Ca -0.08 0.29 0.04 0.00 0.43 0.00 0.00 52.55 53.23 1fdi s ASP 134 Cb -0.12 0.51 -0.03 0.00 -0.30 0.00 0.00 42.92 42.99 1fdi s ASP 134 CO -0.02 -0.71 0.16 0.00 -0.17 0.00 0.00 175.17 174.43 1fdi h ALA 137 N 1.55 1.88 -0.50 0.00 0.00 -1.94 -1.50 119.26 118.76 1fdi h ALA 137 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1fdi h ALA 137 Cb 0.15 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 1fdi h ALA 137 CO 0.00 0.00 -0.11 -0.09 0.00 0.00 0.00 179.25 179.05 1fdi h ARG 138 N 0.53 0.01 -0.24 0.00 9.65 -1.71 0.08 114.38 122.70 1fdi h ARG 138 Ca 0.27 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.15 1fdi h ARG 138 Cb 0.38 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1fdi h ARG 138 CO -0.08 0.01 0.00 0.28 2.80 0.00 0.00 179.97 182.98 1fdi n VAL 139 N -5.35 0.31 -0.07 0.20 0.31 -0.57 -4.34 118.33 108.83 1fdi n VAL 139 Ca 0.05 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1fdi n VAL 139 Cb 0.26 0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 1fdi n VAL 139 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1fdi n HIS 141 N 0.19 0.00 0.10 3.52 8.25 -1.11 -4.67 115.22 121.50 1fdi n HIS 141 Ca 0.08 -0.21 -0.13 0.00 -0.26 0.00 0.00 57.72 57.20 1fdi n HIS 141 Cb 0.20 -0.28 -0.08 0.00 1.12 0.00 0.00 29.99 30.94 1fdi n HIS 141 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1fdi h GLY 142 N 3.61 -0.25 -0.06 -1.41 0.00 -1.20 -1.76 103.07 102.00 1fdi h GLY 142 Ca 0.00 0.09 0.09 0.00 0.00 0.00 0.00 47.33 47.51 1fdi h GLY 142 CO 0.00 -0.09 -0.22 -2.55 0.00 0.00 0.00 176.54 173.68 1fdi h PRO 143 N -0.52 -0.13 -0.78 4.80 0.11 -1.87 -1.20 132.00 132.41 1fdi h PRO 143 Ca -0.02 0.01 0.15 0.00 0.11 0.00 0.00 66.00 66.24 1fdi h PRO 143 Cb 0.39 0.03 -0.15 0.00 0.11 0.00 0.00 31.00 31.39 1fdi h PRO 143 CO 0.04 -0.09 -0.26 0.77 -0.21 0.00 0.00 178.00 178.26 1fdi h SER 144 N -0.14 -0.93 -0.29 -2.05 0.02 -1.79 0.23 113.55 108.60 1fdi h SER 144 Ca 0.20 0.25 -0.12 0.00 -0.84 0.00 0.00 61.79 61.29 1fdi h SER 144 Cb 0.46 0.55 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1fdi h SER 144 CO -0.51 -0.28 -0.23 0.58 -1.14 0.00 0.00 176.83 175.24 1fdi h VAL 145 N -0.04 1.27 0.65 2.27 2.07 -0.37 -1.31 116.25 120.79 1fdi h VAL 145 Ca 0.35 -1.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 1fdi h VAL 145 Cb 0.58 1.23 0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1fdi h VAL 145 CO -0.82 0.45 -0.31 0.00 0.02 0.00 0.00 177.57 176.91 1fdi h ALA 146 N 1.06 -0.89 -0.59 1.67 0.00 0.42 0.39 119.26 121.31 1fdi h ALA 146 Ca 0.09 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1fdi h ALA 146 Cb 0.75 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 1fdi h ALA 146 CO 0.06 -0.83 0.26 0.78 0.00 0.00 0.00 179.25 179.52 1fdi h GLY 147 N -1.19 0.84 2.00 0.00 0.00 -1.34 0.55 103.07 103.92 1fdi h GLY 147 Ca -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1fdi h GLY 147 CO 0.15 0.05 0.00 1.41 0.00 0.00 0.00 176.54 178.14 1fdi h LEU 148 N 0.48 0.00 0.25 3.11 3.38 -1.26 -0.36 115.31 120.91 1fdi h LEU 148 Ca 0.28 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.92 1fdi h LEU 148 Cb 0.28 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.07 1fdi h LEU 148 CO -0.24 0.00 -1.48 -0.74 0.09 0.00 0.00 178.44 176.07 1fdi h HIS 149 N 0.00 0.96 -0.02 1.13 2.76 0.20 -2.56 115.15 117.63 1fdi h HIS 149 Ca 0.00 -0.70 -0.01 0.00 -2.20 0.00 0.00 60.37 57.46 1fdi h HIS 149 Cb 0.46 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.39 1fdi h HIS 149 CO 0.00 1.57 -0.02 1.96 -1.30 0.00 0.00 177.93 180.13 1fdi h GLN 150 N 0.12 0.05 0.13 5.26 1.08 -1.06 0.22 115.11 120.92 1fdi h GLN 150 Ca -0.26 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 56.90 1fdi h GLN 150 Cb 2.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.59 1fdi h GLN 150 CO 0.27 0.55 -0.06 0.77 -0.95 0.00 0.00 178.83 179.41 1fdi h SER 151 N -0.45 -0.15 0.00 1.46 0.02 -1.22 -3.39 113.55 109.82 1fdi h SER 151 Ca 0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1fdi h SER 151 Cb 0.55 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1fdi h SER 151 CO 0.01 0.06 0.00 0.55 -1.14 0.00 0.00 176.83 176.31 1fdi n VAL 152 N -5.08 0.00 -0.93 2.27 3.14 -1.11 0.24 118.33 116.86 1fdi n VAL 152 Ca -0.09 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.81 1fdi n VAL 152 Cb 0.17 1.02 0.00 0.00 -1.06 0.00 0.00 33.84 33.96 1fdi n VAL 152 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1fdi n GLY 153 N 0.33 0.94 3.29 7.55 0.00 0.78 -4.42 105.19 113.66 1fdi n GLY 153 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1fdi n GLY 153 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fdi s ASN 154 N -2.94 -0.42 0.00 1.61 3.84 -0.99 -4.77 114.94 111.27 1fdi s ASN 154 Ca 0.00 0.97 0.10 0.00 0.21 0.00 0.00 52.86 54.14 1fdi s ASN 154 Cb 0.00 1.08 0.31 0.00 -0.55 0.00 0.00 41.25 42.09 1fdi s ASN 154 CO 0.00 -0.21 1.25 0.61 -2.79 0.00 0.00 177.10 175.96 1fdi n GLY 155 N 4.80 0.30 3.96 1.21 0.00 -1.26 -4.40 105.19 109.80 1fdi n GLY 155 Ca -0.16 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 1fdi n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fdi s ALA 156 N -1.64 3.82 -0.13 4.61 0.00 -1.26 -4.46 121.76 122.69 1fdi s ALA 156 Ca 0.20 -1.20 -0.35 0.00 0.00 0.00 0.00 51.96 50.61 1fdi s ALA 156 Cb 0.11 -2.12 -0.13 0.00 0.00 0.00 0.00 23.12 20.98 1fdi s ALA 156 CO 0.14 -0.61 1.86 -1.33 0.00 0.00 0.00 175.76 175.82 1fdi n MET 157 N -2.25 1.96 -0.36 0.00 2.81 -1.26 -4.79 117.12 113.23 1fdi n MET 157 Ca 0.05 0.72 -0.03 0.00 -1.81 0.00 0.00 57.70 56.63 1fdi n MET 157 Cb 0.59 -2.53 0.10 0.00 -0.71 0.00 0.00 33.22 30.67 1fdi n MET 157 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1fdi h SER 158 N 8.83 1.15 -4.84 7.83 4.64 -0.85 -3.45 113.55 126.85 1fdi h SER 158 Ca -0.48 -0.07 -0.56 0.00 -0.47 0.00 0.00 61.79 60.21 1fdi h SER 158 Cb 1.28 -0.29 -0.10 0.00 -0.31 0.00 0.00 62.40 62.98 1fdi h SER 158 CO 0.95 0.88 -0.39 0.59 -0.87 0.00 0.00 176.83 177.99 1fdi n ASN 159 N -4.35 3.13 -4.91 4.97 4.13 -1.26 0.18 115.26 117.14 1fdi n ASN 159 Ca 0.11 -2.88 -0.28 0.00 1.68 0.00 0.00 54.58 53.20 1fdi n ASN 159 Cb 0.06 0.26 -0.03 0.00 -1.54 0.00 0.00 39.78 38.53 1fdi n ASN 159 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1fdi s ALA 160 N -2.74 3.67 0.08 5.41 0.00 -1.25 -4.85 121.76 122.07 1fdi s ALA 160 Ca 0.03 -0.64 -0.25 0.00 0.00 0.00 0.00 51.96 51.10 1fdi s ALA 160 Cb -0.00 -2.23 -0.16 0.00 0.00 0.00 0.00 23.12 20.73 1fdi s ALA 160 CO 0.02 0.24 1.69 0.82 0.00 0.00 0.00 175.76 178.53 1fdi h ILE 161 N 1.31 0.85 0.00 0.00 2.04 -1.94 -1.01 117.51 118.76 1fdi h ILE 161 Ca -0.48 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1fdi h ILE 161 Cb 1.19 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1fdi h ILE 161 CO 0.66 0.01 0.00 0.59 0.00 0.00 0.00 178.15 179.41 1fdi n ASN 162 N -5.17 0.00 0.02 1.72 4.13 -1.26 -1.57 115.26 113.13 1fdi n ASN 162 Ca -0.09 0.14 0.11 0.00 1.68 0.00 0.00 54.58 56.43 1fdi n ASN 162 Cb 0.12 -0.24 0.10 0.00 -1.54 0.00 0.00 39.78 38.22 1fdi n ASN 162 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1fdi n GLU 163 N -1.24 0.17 -0.17 3.52 2.13 -0.39 -4.20 120.64 120.46 1fdi n GLU 163 Ca 0.03 0.01 -0.07 0.00 0.66 0.00 0.00 57.16 57.79 1fdi n GLU 163 Cb 0.05 -1.57 0.02 0.00 0.27 0.00 0.00 31.44 30.20 1fdi n GLU 163 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1fdi h ILE 164 N 0.00 1.14 0.00 6.31 2.04 -1.30 -3.07 117.51 122.63 1fdi h ILE 164 Ca 0.00 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1fdi h ILE 164 Cb 0.64 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1fdi h ILE 164 CO 0.00 0.15 0.23 0.47 0.00 0.00 0.00 178.15 178.99 1fdi n ASP 165 N -4.71 0.00 -0.30 1.72 9.92 -1.26 -1.20 116.55 120.72 1fdi n ASP 165 Ca 0.02 0.10 0.02 0.00 -0.53 0.00 0.00 54.79 54.40 1fdi n ASP 165 Cb 0.04 -0.10 0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1fdi n ASP 165 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1fdi n ASN 166 N -0.99 0.58 -4.84 -2.24 3.02 -1.16 -4.43 115.26 105.20 1fdi n ASN 166 Ca 0.00 -2.04 -0.30 0.00 -0.03 0.00 0.00 54.58 52.21 1fdi n ASN 166 Cb 0.23 -0.20 0.08 0.00 -0.61 0.00 0.00 39.78 39.28 1fdi n ASN 166 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1fdi s THR 167 N -0.63 3.02 -1.96 3.41 -4.23 -0.34 -4.89 115.64 110.02 1fdi s THR 167 Ca 0.06 0.33 0.17 0.00 -1.18 0.00 0.00 61.69 61.07 1fdi s THR 167 Cb 0.06 -3.18 0.24 0.00 1.34 0.00 0.00 72.50 70.96 1fdi s THR 167 CO 0.01 -0.43 1.16 0.47 -0.54 0.00 0.00 174.62 175.28 1fdi n ASP 168 N -3.31 2.76 -3.37 3.99 8.00 0.24 -4.39 116.55 120.47 1fdi n ASP 168 Ca 0.07 -1.81 0.02 0.00 0.71 0.00 0.00 54.79 53.78 1fdi n ASP 168 Cb 0.57 -0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 41.52 1fdi n ASP 168 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1fdi s LEU 169 N -1.31 -0.49 -0.69 0.64 0.20 -1.10 -2.50 118.68 113.42 1fdi s LEU 169 Ca 0.25 0.68 -0.17 0.00 0.69 0.00 0.00 54.13 55.59 1fdi s LEU 169 Cb 0.16 1.57 0.15 0.00 -0.43 0.00 0.00 46.19 47.63 1fdi s LEU 169 CO 0.23 -0.10 0.73 -0.69 -0.29 0.00 0.00 176.35 176.23 1fdi s VAL 170 N 2.36 5.13 -1.05 1.68 1.01 -0.64 -0.62 120.40 128.26 1fdi s VAL 170 Ca -0.02 -1.62 -0.22 0.00 0.00 0.00 0.00 61.98 60.12 1fdi s VAL 170 Cb -0.05 -4.49 0.06 0.00 0.00 0.00 0.00 36.38 31.90 1fdi s VAL 170 CO -0.17 -1.09 1.48 0.12 0.00 0.00 0.00 175.10 175.44 1fdi s PHE 171 N 1.70 2.58 -0.21 5.22 5.36 0.37 -2.67 117.98 130.33 1fdi s PHE 171 Ca 0.14 -0.96 -0.28 0.00 -0.96 0.00 0.00 56.93 54.87 1fdi s PHE 171 Cb -0.19 -4.69 0.00 0.00 -0.34 0.00 0.00 43.02 37.80 1fdi s PHE 171 CO -0.01 -1.91 0.98 0.08 -1.46 0.00 0.00 175.22 172.90 1fdi s VAL 172 N 4.81 4.74 -0.18 3.12 1.01 -0.28 -1.58 120.40 132.04 1fdi s VAL 172 Ca 0.47 1.92 -0.01 0.00 0.00 0.00 0.00 61.98 64.36 1fdi s VAL 172 Cb 0.00 -4.26 0.05 0.00 0.00 0.00 0.00 36.38 32.17 1fdi s VAL 172 CO -0.08 -0.11 -0.04 0.12 0.00 0.00 0.00 175.10 174.99 1fdi s PHE 173 N 2.86 1.68 -1.16 5.22 2.19 -0.12 -1.32 117.98 127.34 1fdi s PHE 173 Ca 0.43 -1.13 -0.22 0.00 0.33 0.00 0.00 56.93 56.33 1fdi s PHE 173 Cb -0.16 -1.30 -0.00 0.00 -1.31 0.00 0.00 43.02 40.25 1fdi s PHE 173 CO 0.09 -0.63 0.77 0.41 1.83 0.00 0.00 175.22 177.68 1fdi n GLY 174 N 4.88 -0.95 3.63 13.12 0.00 -0.58 -3.66 105.19 121.63 1fdi n GLY 174 Ca -0.11 0.43 -0.04 0.00 0.00 0.00 0.00 46.02 46.30 1fdi n GLY 174 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1fdi s TYR 175 N -3.49 -0.84 -0.79 1.61 5.04 -1.26 -1.84 117.35 115.78 1fdi s TYR 175 Ca 0.46 1.66 -0.04 0.00 -2.44 0.00 0.00 57.07 56.71 1fdi s TYR 175 Cb -0.18 0.51 0.20 0.00 0.35 0.00 0.00 41.96 42.84 1fdi s TYR 175 CO 0.88 -0.42 0.65 1.21 -1.34 0.00 0.00 175.55 176.53 1fdi s ASN 176 N 1.63 5.81 0.30 4.32 2.47 -1.26 -4.93 114.94 123.28 1fdi s ASN 176 Ca -0.09 -3.27 -0.02 0.00 0.42 0.00 0.00 52.86 49.91 1fdi s ASN 176 Cb -0.05 -1.93 0.45 0.00 -1.45 0.00 0.00 41.25 38.27 1fdi s ASN 176 CO -0.18 -0.30 1.96 -0.65 -3.72 0.00 0.00 177.10 174.21 1fdi h PRO 177 N 6.62 1.09 -0.18 0.43 0.11 -1.96 0.38 132.00 138.50 1fdi h PRO 177 Ca 0.08 -0.07 0.05 0.00 0.11 0.00 0.00 66.00 66.18 1fdi h PRO 177 Cb 0.90 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 1fdi h PRO 177 CO 0.79 0.72 0.14 0.00 -0.21 0.00 0.00 178.00 179.44 1fdi h ALA 178 N 1.48 2.05 0.00 -0.75 0.00 -1.91 0.05 119.26 120.18 1fdi h ALA 178 Ca 0.32 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.92 1fdi h ALA 178 Cb -0.09 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1fdi h ALA 178 CO -0.08 -0.23 -2.13 -0.25 0.00 0.00 0.00 179.25 176.56 1fdi n ASP 179 N -4.29 1.73 -0.04 0.00 9.92 -0.91 -4.40 116.55 118.55 1fdi n ASP 179 Ca 0.01 -0.05 -0.18 0.00 -0.53 0.00 0.00 54.79 54.04 1fdi n ASP 179 Cb 0.27 0.29 -0.13 0.00 -0.64 0.00 0.00 41.12 40.92 1fdi n ASP 179 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1fdi h SER 180 N 0.00 0.15 -2.58 -2.24 0.02 -0.81 -3.40 113.55 104.68 1fdi h SER 180 Ca -0.44 -0.86 -0.60 0.00 -0.84 0.00 0.00 61.79 59.04 1fdi h SER 180 Cb 1.85 -0.05 -0.39 0.00 0.14 0.00 0.00 62.40 63.95 1fdi h SER 180 CO -0.02 1.28 -0.86 -1.00 -1.14 0.00 0.00 176.83 175.08 1fdi s HIS 181 N -2.33 1.79 0.29 3.45 3.76 -0.01 -4.79 115.29 117.44 1fdi s HIS 181 Ca -0.20 -2.61 0.03 0.00 -0.15 0.00 0.00 55.06 52.13 1fdi s HIS 181 Cb 0.01 -1.43 0.74 0.00 1.11 0.00 0.00 32.58 33.01 1fdi s HIS 181 CO 0.71 -0.75 1.67 -1.35 -0.85 0.00 0.00 174.74 174.17 1fdi h PRO 182 N 5.59 0.29 0.00 8.40 0.11 -1.72 0.46 132.00 145.13 1fdi h PRO 182 Ca 0.23 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.24 1fdi h PRO 182 Cb 0.87 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 1fdi h PRO 182 CO 0.47 0.19 -0.37 0.82 -0.21 0.00 0.00 178.00 178.90 1fdi h ILE 183 N 0.30 1.19 0.00 4.15 5.03 -1.95 0.96 117.51 127.20 1fdi h ILE 183 Ca 0.56 -1.30 -0.22 0.00 -0.12 0.00 0.00 64.86 63.78 1fdi h ILE 183 Cb 1.12 1.72 -0.00 0.00 -3.03 0.00 0.00 36.82 36.62 1fdi h ILE 183 CO -0.59 0.36 -0.93 0.58 -0.68 0.00 0.00 178.15 176.90 1fdi h VAL 184 N 0.00 1.43 -0.34 1.67 2.07 -0.75 -2.60 116.25 117.73 1fdi h VAL 184 Ca -0.00 -2.52 -0.00 0.00 0.82 0.00 0.00 66.70 65.00 1fdi h VAL 184 Cb 0.69 2.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 1fdi h VAL 184 CO 0.05 0.74 0.20 0.00 0.02 0.00 0.00 177.57 178.58 1fdi h ALA 185 N 0.81 0.44 0.00 1.67 0.00 0.49 -0.26 119.26 122.40 1fdi h ALA 185 Ca -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1fdi h ALA 185 Cb 1.56 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1fdi h ALA 185 CO 0.15 -0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.44 1fdi n ASN 186 N -4.80 0.18 0.04 0.00 4.13 0.26 -0.40 115.26 114.67 1fdi n ASN 186 Ca -0.01 0.56 -0.20 0.00 1.68 0.00 0.00 54.58 56.62 1fdi n ASN 186 Cb 0.07 -0.59 -0.14 0.00 -1.54 0.00 0.00 39.78 37.57 1fdi n ASN 186 CO 0.00 0.00 0.00 0.45 0.28 0.00 0.00 177.26 177.99 1fdi h HIS 187 N 0.00 0.51 -0.24 3.10 3.86 -0.69 -3.05 115.15 118.64 1fdi h HIS 187 Ca 0.00 -0.37 -0.04 0.00 -1.16 0.00 0.00 60.37 58.80 1fdi h HIS 187 Cb 0.16 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1fdi h HIS 187 CO 0.00 1.59 -0.00 0.28 0.86 0.00 0.00 177.93 180.65 1fdi h VAL 188 N 0.08 1.26 -0.71 2.45 2.07 -0.13 -0.75 116.25 120.52 1fdi h VAL 188 Ca -0.34 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.26 1fdi h VAL 188 Cb 2.05 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 33.16 1fdi h VAL 188 CO 0.13 0.29 0.44 0.40 0.02 0.00 0.00 177.57 178.85 1fdi h ILE 189 N 0.21 1.20 -0.36 4.57 2.04 -0.88 -1.46 117.51 122.83 1fdi h ILE 189 Ca 0.07 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.56 1fdi h ILE 189 Cb 0.42 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 1fdi h ILE 189 CO 0.01 0.21 0.01 -1.13 0.00 0.00 0.00 178.15 177.25 1fdi h ASN 190 N 0.97 -0.12 -0.20 1.72 -0.00 -1.36 0.37 115.58 116.96 1fdi h ASN 190 Ca 0.26 0.08 0.05 0.00 -0.00 0.00 0.00 56.30 56.68 1fdi h ASN 190 Cb -0.05 0.14 -0.05 0.00 -0.00 0.00 0.00 38.32 38.36 1fdi h ASN 190 CO -0.05 -0.02 -0.11 0.00 -0.00 0.00 0.00 177.43 177.25 1fdi h ALA 191 N 1.31 0.06 -0.55 1.57 0.00 -0.64 0.25 119.26 121.26 1fdi h ALA 191 Ca 0.18 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.23 1fdi h ALA 191 Cb 0.24 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1fdi h ALA 191 CO -0.28 -0.53 0.25 -0.22 0.00 0.00 0.00 179.25 178.47 1fdi h LYS 192 N -0.09 0.46 -0.61 0.00 1.63 -0.20 0.12 116.57 117.88 1fdi h LYS 192 Ca 0.11 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1fdi h LYS 192 Cb 0.25 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 1fdi h LYS 192 CO -0.26 0.30 0.40 -0.09 -3.45 0.00 0.00 179.45 176.36 1fdi h ARG 193 N 0.47 0.76 -0.65 1.90 2.43 0.69 0.39 114.38 120.37 1fdi h ARG 193 Ca 0.26 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1fdi h ARG 193 Cb 0.22 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1fdi h ARG 193 CO -0.21 0.51 0.00 0.09 -1.51 0.00 0.00 179.97 178.84 1fdi n ASN 194 N -4.45 1.78 0.00 -3.80 3.02 0.78 -4.88 115.26 107.71 1fdi n ASN 194 Ca 0.06 -2.15 0.00 0.00 -0.03 0.00 0.00 54.58 52.46 1fdi n ASN 194 Cb 0.07 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 1fdi n ASN 194 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fdi n GLY 195 N 0.37 0.80 3.72 7.41 0.00 0.14 -5.01 105.19 112.62 1fdi n GLY 195 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1fdi n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fdi s ALA 196 N -3.02 1.79 0.53 4.61 0.00 0.29 -4.95 121.76 121.02 1fdi s ALA 196 Ca 0.00 0.38 0.04 0.00 0.00 0.00 0.00 51.96 52.38 1fdi s ALA 196 Cb 0.00 -3.34 0.04 0.00 0.00 0.00 0.00 23.12 19.82 1fdi s ALA 196 CO 0.00 -2.30 0.73 0.15 0.00 0.00 0.00 175.76 174.35 1fdi s LYS 197 N -4.78 2.51 -0.12 0.00 1.02 -1.04 -4.40 119.74 112.92 1fdi s LYS 197 Ca 0.64 -1.08 -0.08 0.00 0.02 0.00 0.00 55.97 55.47 1fdi s LYS 197 Cb -0.20 -2.58 0.04 0.00 -0.52 0.00 0.00 37.83 34.57 1fdi s LYS 197 CO 0.57 -0.67 0.30 0.42 -0.92 0.00 0.00 175.35 175.06 1fdi s ILE 198 N -2.66 -0.02 -0.07 2.17 1.01 -1.26 -1.63 121.20 118.74 1fdi s ILE 198 Ca 0.58 0.09 0.03 0.00 0.00 0.00 0.00 60.65 61.35 1fdi s ILE 198 Cb -0.09 -0.45 0.01 0.00 0.01 0.00 0.00 42.46 41.94 1fdi s ILE 198 CO 0.37 0.04 -0.15 -0.63 0.00 0.00 0.00 174.94 174.57 1fdi s ILE 199 N 0.98 1.33 -0.28 2.92 1.01 -1.09 0.05 121.20 126.11 1fdi s ILE 199 Ca -0.07 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.01 1fdi s ILE 199 Cb -0.07 -1.20 0.06 0.00 0.01 0.00 0.00 42.46 41.26 1fdi s ILE 199 CO -0.07 0.40 -0.06 -0.69 0.00 0.00 0.00 174.94 174.52 1fdi s VAL 200 N 0.63 2.43 -1.15 2.92 1.01 -0.46 -1.12 120.40 124.66 1fdi s VAL 200 Ca -0.15 -1.65 -0.10 0.00 0.00 0.00 0.00 61.98 60.08 1fdi s VAL 200 Cb -0.16 -2.47 0.25 0.00 0.00 0.00 0.00 36.38 34.00 1fdi s VAL 200 CO 0.04 -0.12 1.26 0.00 0.00 0.00 0.00 175.10 176.28 1fdi s ASP 202 N 1.56 0.40 0.09 0.00 -1.08 -1.20 -1.52 116.67 114.93 1fdi s ASP 202 Ca 0.35 -0.06 -0.33 0.00 -0.52 0.00 0.00 52.55 51.99 1fdi s ASP 202 Cb -0.06 -0.04 -0.14 0.00 -1.46 0.00 0.00 42.92 41.21 1fdi s ASP 202 CO -0.04 0.04 1.59 -0.65 0.52 0.00 0.00 175.17 176.63 1fdi h PRO 203 N 6.06 -0.81 -7.28 4.34 0.11 -1.82 -3.35 132.00 129.25 1fdi h PRO 203 Ca -0.27 0.06 -0.51 0.00 0.11 0.00 0.00 66.00 65.39 1fdi h PRO 203 Cb 1.20 0.18 0.18 0.00 0.11 0.00 0.00 31.00 32.67 1fdi h PRO 203 CO 0.50 -0.54 0.24 1.03 -0.21 0.00 0.00 178.00 179.02 1fdi s ARG 204 N -5.96 1.22 -1.17 1.05 0.52 -1.26 -4.70 118.95 108.65 1fdi s ARG 204 Ca -0.17 1.37 -0.07 0.00 -0.52 0.00 0.00 55.73 56.33 1fdi s ARG 204 Cb 0.05 -1.76 0.24 0.00 0.52 0.00 0.00 34.95 34.00 1fdi s ARG 204 CO 0.62 -2.43 1.60 1.63 0.02 0.00 0.00 175.30 176.74 1fdi n LYS 205 N -4.08 3.97 -1.75 3.54 5.02 -0.85 -4.99 118.16 119.02 1fdi n LYS 205 Ca 0.10 -4.08 -0.35 0.00 -2.02 0.00 0.00 58.31 51.97 1fdi n LYS 205 Cb 0.53 -2.72 0.06 0.00 -0.02 0.00 0.00 35.03 32.87 1fdi n LYS 205 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1fdi s ILE 206 N -1.04 2.65 0.31 -0.18 -4.36 -1.26 -4.89 121.20 112.43 1fdi s ILE 206 Ca 0.35 0.35 0.06 0.00 -0.26 0.00 0.00 60.65 61.15 1fdi s ILE 206 Cb 0.05 -2.98 0.32 0.00 1.25 0.00 0.00 42.46 41.09 1fdi s ILE 206 CO 0.04 -0.14 1.65 -0.33 0.24 0.00 0.00 174.94 176.40 1fdi h GLU 207 N 0.27 0.24 -0.48 0.37 4.39 -2.00 0.90 114.58 118.27 1fdi h GLU 207 Ca -0.49 -0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.30 1fdi h GLU 207 Cb 1.29 -0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 29.79 1fdi h GLU 207 CO 0.53 0.16 -0.10 1.15 -1.16 0.00 0.00 179.01 179.59 1fdi h THR 208 N 0.25 0.53 -0.73 1.13 2.02 -1.97 -1.42 112.91 112.72 1fdi h THR 208 Ca 0.61 -0.01 0.18 0.00 0.77 0.00 0.00 66.41 67.97 1fdi h THR 208 Cb 1.29 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 1fdi h THR 208 CO -0.64 0.00 0.50 0.00 0.37 0.00 0.00 175.52 175.76 1fdi h ALA 209 N 1.47 2.42 0.00 6.16 0.00 -1.16 -1.27 119.26 126.88 1fdi h ALA 209 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1fdi h ALA 209 Cb 0.36 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1fdi h ALA 209 CO -0.48 -0.63 -0.01 -0.09 0.00 0.00 0.00 179.25 178.04 1fdi h ARG 210 N 0.18 0.00 -0.01 0.00 9.65 -1.29 -1.44 114.38 121.47 1fdi h ARG 210 Ca 0.36 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.24 1fdi h ARG 210 Cb 1.14 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 1fdi h ARG 210 CO -0.06 0.01 -0.47 0.44 2.80 0.00 0.00 179.97 182.68 1fdi n ILE 211 N -3.97 0.00 -2.89 1.20 -5.35 -0.48 -4.99 119.36 102.88 1fdi n ILE 211 Ca -0.03 -0.23 -0.39 0.00 -0.27 0.00 0.00 62.75 61.83 1fdi n ILE 211 Cb 0.09 1.14 -0.06 0.00 -1.74 0.00 0.00 39.64 39.08 1fdi n ILE 211 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1fdi s ALA 212 N -2.50 3.39 0.37 -1.28 0.00 -0.55 -4.84 121.76 116.35 1fdi s ALA 212 Ca 0.19 0.45 0.26 0.00 0.00 0.00 0.00 51.96 52.85 1fdi s ALA 212 Cb 0.18 -3.06 1.31 0.00 0.00 0.00 0.00 23.12 21.56 1fdi s ALA 212 CO 0.58 0.26 2.02 -0.44 0.00 0.00 0.00 175.76 178.17 1fdi h ASP 213 N 4.10 0.00 -3.27 0.00 5.19 -0.68 -3.42 116.42 118.33 1fdi h ASP 213 Ca -0.46 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 55.79 1fdi h ASP 213 Cb 1.20 0.00 -0.28 0.00 0.18 0.00 0.00 39.33 40.43 1fdi h ASP 213 CO 0.67 0.15 -0.40 -0.04 -3.12 0.00 0.00 179.24 176.49 1fdi s MET 214 N -4.13 0.29 -0.29 3.56 -1.94 -1.03 -5.03 119.30 110.72 1fdi s MET 214 Ca -0.02 0.65 -0.02 0.00 -1.71 0.00 0.00 55.69 54.59 1fdi s MET 214 Cb 0.13 -0.07 0.05 0.00 2.01 0.00 0.00 34.83 36.94 1fdi s MET 214 CO 0.60 -0.16 -0.01 -1.58 -0.01 0.00 0.00 175.02 173.86 1fdi s HIS 215 N 1.36 3.23 -0.92 -0.03 2.46 -1.26 -1.35 115.29 118.78 1fdi s HIS 215 Ca -0.09 -1.83 -0.14 0.00 0.47 0.00 0.00 55.06 53.46 1fdi s HIS 215 Cb -0.10 -2.09 0.21 0.00 -0.13 0.00 0.00 32.58 30.47 1fdi s HIS 215 CO -0.10 -0.79 0.95 0.42 -2.47 0.00 0.00 174.74 172.74 1fdi s ILE 216 N 1.26 5.46 -0.85 0.89 1.01 -0.95 -4.95 121.20 123.07 1fdi s ILE 216 Ca -0.05 -2.46 -0.06 0.00 0.00 0.00 0.00 60.65 58.08 1fdi s ILE 216 Cb -0.19 -4.59 -0.05 0.00 0.01 0.00 0.00 42.46 37.64 1fdi s ILE 216 CO -0.02 -1.20 2.03 0.00 0.00 0.00 0.00 174.94 175.76 1fdi n ALA 217 N 4.40 4.42 -1.72 9.38 0.00 -1.26 -3.22 120.51 132.51 1fdi n ALA 217 Ca 0.19 -1.91 -0.40 0.00 0.00 0.00 0.00 53.44 51.31 1fdi n ALA 217 Cb 0.46 -2.99 0.02 0.00 0.00 0.00 0.00 19.45 16.93 1fdi n ALA 217 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1fdi n LEU 218 N 4.38 4.50 -4.71 0.00 -0.00 -1.26 -4.71 117.00 115.19 1fdi n LEU 218 Ca 0.42 1.10 -0.42 0.00 -0.00 0.00 0.00 56.01 57.11 1fdi n LEU 218 Cb 0.13 -1.54 -0.03 0.00 -0.00 0.00 0.00 43.42 41.98 1fdi n LEU 218 CO 0.70 -0.48 1.26 -0.54 -0.00 0.00 0.00 177.39 178.33 1fdi s LYS 219 N -2.33 4.20 -0.76 1.47 1.02 0.74 -3.89 119.74 120.19 1fdi s LYS 219 Ca 0.62 2.38 -0.29 0.00 0.02 0.00 0.00 55.97 58.70 1fdi s LYS 219 Cb -0.48 -3.20 -0.18 0.00 -0.52 0.00 0.00 37.83 33.44 1fdi s LYS 219 CO 0.57 -0.64 2.21 0.09 -0.92 0.00 0.00 175.35 176.66 1fdi n ASN 220 N 4.18 0.33 0.00 2.83 5.03 -1.26 -1.02 115.26 125.35 1fdi n ASN 220 Ca 0.14 0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.84 1fdi n ASN 220 Cb 0.38 -0.78 0.00 0.00 -1.02 0.00 0.00 39.78 38.36 1fdi n ASN 220 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1fdi n GLY 221 N 5.73 1.42 0.23 7.41 0.00 -1.26 -4.97 105.19 113.74 1fdi n GLY 221 Ca 0.54 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.59 1fdi n GLY 221 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fdi n SER 222 N 0.13 2.62 -0.21 1.61 3.41 -0.19 -4.64 113.62 116.35 1fdi n SER 222 Ca 0.00 -3.01 -0.02 0.00 -0.26 0.00 0.00 58.87 55.57 1fdi n SER 222 Cb 0.02 -0.43 0.04 0.00 -0.26 0.00 0.00 64.21 63.58 1fdi n SER 222 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1fdi h ASN 223 N 0.36 -0.85 0.31 4.04 -0.26 -1.96 -1.02 115.58 116.20 1fdi h ASN 223 Ca 0.00 0.21 -0.03 0.00 -0.56 0.00 0.00 56.30 55.92 1fdi h ASN 223 Cb 1.06 0.48 -0.00 0.00 -1.06 0.00 0.00 38.32 38.79 1fdi h ASN 223 CO 0.04 -0.26 -0.14 0.40 -1.06 0.00 0.00 177.43 176.41 1fdi h ILE 224 N -0.08 0.74 0.14 2.81 1.08 -1.95 0.31 117.51 120.56 1fdi h ILE 224 Ca 0.28 -0.58 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 1fdi h ILE 224 Cb 0.52 1.35 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1fdi h ILE 224 CO -0.68 0.14 -0.07 0.00 -0.69 0.00 0.00 178.15 176.86 1fdi h ALA 225 N 1.86 -0.19 -0.44 1.87 0.00 -1.59 -1.20 119.26 119.57 1fdi h ALA 225 Ca -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1fdi h ALA 225 Cb 0.34 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1fdi h ALA 225 CO 0.02 -0.40 0.12 1.25 0.00 0.00 0.00 179.25 180.24 1fdi h LEU 226 N -0.61 0.67 -0.31 0.00 5.85 -1.02 -2.54 115.31 117.36 1fdi h LEU 226 Ca -0.02 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.51 1fdi h LEU 226 Cb 0.46 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1fdi h LEU 226 CO 0.03 0.72 0.10 -0.07 -0.34 0.00 0.00 178.44 178.88 1fdi h LEU 227 N 0.58 0.10 -0.79 2.25 3.38 -0.36 -1.90 115.31 118.57 1fdi h LEU 227 Ca 0.14 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1fdi h LEU 227 Cb 0.31 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1fdi h LEU 227 CO -0.00 0.09 0.40 0.78 0.09 0.00 0.00 178.44 179.80 1fdi h ASN 228 N 0.23 1.01 0.24 -0.43 2.35 -1.12 -1.80 115.58 116.06 1fdi h ASN 228 Ca 0.14 -0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 1fdi h ASN 228 Cb 0.12 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1fdi h ASN 228 CO -0.15 0.85 -0.24 0.00 -1.65 0.00 0.00 177.43 176.23 1fdi h ALA 229 N 1.21 1.60 -0.27 -0.83 0.00 -1.00 0.31 119.26 120.27 1fdi h ALA 229 Ca 0.27 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 1fdi h ALA 229 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1fdi h ALA 229 CO -0.04 0.30 -0.58 0.52 0.00 0.00 0.00 179.25 179.46 1fdi h MET 230 N 0.00 0.87 -0.62 0.00 2.86 -0.57 -1.77 114.93 115.70 1fdi h MET 230 Ca -0.00 -0.57 -0.08 0.00 -2.06 0.00 0.00 59.70 56.98 1fdi h MET 230 Cb 0.43 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1fdi h MET 230 CO 0.03 1.20 0.06 0.78 1.06 0.00 0.00 176.91 180.04 1fdi h GLY 231 N 0.68 1.13 0.15 8.32 0.00 -0.84 0.13 103.07 112.64 1fdi h GLY 231 Ca 0.01 -0.79 0.15 0.00 0.00 0.00 0.00 47.33 46.69 1fdi h GLY 231 CO 0.13 0.73 0.34 0.84 0.00 0.00 0.00 176.54 178.58 1fdi h HIS 232 N 0.96 0.58 -0.08 5.60 6.17 -0.14 0.64 115.15 128.87 1fdi h HIS 232 Ca 0.18 0.04 -0.17 0.00 0.71 0.00 0.00 60.37 61.13 1fdi h HIS 232 Cb 0.49 -0.14 0.01 0.00 2.52 0.00 0.00 27.41 30.29 1fdi h HIS 232 CO 0.04 0.09 -0.62 0.28 0.71 0.00 0.00 177.93 178.42 1fdi h VAL 233 N 0.49 1.35 -0.11 5.26 2.07 -0.47 0.42 116.25 125.26 1fdi h VAL 233 Ca 0.43 -1.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 1fdi h VAL 233 Cb 0.66 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1fdi h VAL 233 CO -0.40 0.59 0.02 0.40 0.02 0.00 0.00 177.57 178.20 1fdi h ILE 234 N 0.17 1.06 0.01 4.57 2.04 0.09 -1.18 117.51 124.27 1fdi h ILE 234 Ca -0.05 -0.21 -0.20 0.00 1.00 0.00 0.00 64.86 65.40 1fdi h ILE 234 Cb 1.28 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 1fdi h ILE 234 CO 0.13 0.07 -1.08 0.40 0.00 0.00 0.00 178.15 177.67 1fdi h ILE 235 N 0.15 1.06 -0.54 -0.67 2.04 -0.94 0.14 117.51 118.75 1fdi h ILE 235 Ca 0.04 -2.23 0.11 0.00 1.00 0.00 0.00 64.86 63.78 1fdi h ILE 235 Cb 0.07 2.46 -0.10 0.00 -0.74 0.00 0.00 36.82 38.51 1fdi h ILE 235 CO -0.00 0.41 -0.07 -0.08 0.00 0.00 0.00 178.15 178.40 1fdi h GLU 236 N -0.92 0.05 -0.69 2.37 4.81 -0.76 -0.17 114.58 119.27 1fdi h GLU 236 Ca -0.29 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1fdi h GLU 236 Cb 1.31 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1fdi h GLU 236 CO -0.15 0.03 0.00 0.39 -0.73 0.00 0.00 179.01 178.55 1fdi n GLU 237 N -5.32 2.77 -4.28 1.92 1.02 -0.46 -4.91 120.64 111.37 1fdi n GLU 237 Ca 0.06 -1.58 -0.37 0.00 -0.02 0.00 0.00 57.16 55.25 1fdi n GLU 237 Cb 0.29 -1.76 -0.04 0.00 -0.02 0.00 0.00 31.44 29.92 1fdi n GLU 237 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1fdi n ASN 238 N 0.40 -3.01 -0.14 1.62 3.02 -0.08 -4.83 115.26 112.24 1fdi n ASN 238 Ca 0.14 -1.05 0.14 0.00 -0.03 0.00 0.00 54.58 53.77 1fdi n ASN 238 Cb 0.65 -2.56 0.52 0.00 -0.61 0.00 0.00 39.78 37.78 1fdi n ASN 238 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1fdi n LEU 239 N -4.33 0.61 -4.90 3.41 4.77 0.47 -4.93 117.00 112.10 1fdi n LEU 239 Ca 0.08 -0.05 -0.29 0.00 -0.03 0.00 0.00 56.01 55.71 1fdi n LEU 239 Cb 0.49 -0.18 0.12 0.00 -2.33 0.00 0.00 43.42 41.52 1fdi n LEU 239 CO 0.88 0.12 0.81 -0.72 -1.33 0.00 0.00 177.39 177.14 1fdi s TYR 240 N -2.53 2.48 -1.14 -1.77 1.13 -1.00 -4.87 117.35 109.64 1fdi s TYR 240 Ca 0.26 0.62 -0.14 0.00 -1.41 0.00 0.00 57.07 56.40 1fdi s TYR 240 Cb 0.20 -3.68 0.17 0.00 -1.10 0.00 0.00 41.96 37.55 1fdi s TYR 240 CO 0.50 -2.11 1.34 0.34 -2.51 0.00 0.00 175.55 173.11 1fdi s ASP 241 N -4.63 7.00 0.13 -0.18 -1.08 0.41 -4.92 116.67 113.41 1fdi s ASP 241 Ca 0.66 -2.86 -0.33 0.00 -0.52 0.00 0.00 52.55 49.50 1fdi s ASP 241 Cb -0.09 -2.38 -0.11 0.00 -1.46 0.00 0.00 42.92 38.88 1fdi s ASP 241 CO 0.51 -0.77 1.54 0.11 0.52 0.00 0.00 175.17 177.08 1fdi h LYS 242 N 7.45 -0.38 -0.43 4.34 6.56 -1.95 0.33 116.57 132.49 1fdi h LYS 242 Ca 0.27 0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.91 1fdi h LYS 242 Cb 0.91 0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 32.62 1fdi h LYS 242 CO 1.19 -0.25 0.25 0.00 -2.06 0.00 0.00 179.45 178.58 1fdi h ALA 243 N -0.06 0.54 0.89 3.86 0.00 -1.98 0.23 119.26 122.75 1fdi h ALA 243 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1fdi h ALA 243 Cb 0.59 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1fdi h ALA 243 CO -0.59 -0.07 -0.48 0.35 0.00 0.00 0.00 179.25 178.46 1fdi h PHE 244 N 0.51 -1.25 -0.06 0.00 3.57 -1.79 -0.60 116.94 117.32 1fdi h PHE 244 Ca 0.17 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1fdi h PHE 244 Cb 0.01 0.43 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1fdi h PHE 244 CO -0.07 -0.74 -0.05 0.28 -2.23 0.00 0.00 178.31 175.50 1fdi h VAL 245 N -1.26 0.00 -0.92 1.41 2.07 -0.07 0.41 116.25 117.89 1fdi h VAL 245 Ca -0.12 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.64 1fdi h VAL 245 Cb 0.98 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1fdi h VAL 245 CO 0.17 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.39 1fdi h ALA 246 N -1.04 2.52 0.00 1.67 0.00 -0.52 -1.25 119.26 120.64 1fdi h ALA 246 Ca 0.01 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1fdi h ALA 246 Cb 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1fdi h ALA 246 CO -0.06 -0.80 -2.01 -1.13 0.00 0.00 0.00 179.25 175.25 1fdi n SER 247 N -4.41 0.31 0.00 0.00 3.41 -0.24 -4.60 113.62 108.09 1fdi n SER 247 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1fdi n SER 247 Cb 0.85 1.75 0.00 0.00 -0.26 0.00 0.00 64.21 66.55 1fdi n SER 247 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1fdi n ARG 248 N -2.31 2.67 -4.36 4.33 1.74 0.13 -5.01 116.66 113.85 1fdi n ARG 248 Ca -0.09 -1.39 -0.19 0.00 -0.77 0.00 0.00 57.85 55.41 1fdi n ARG 248 Cb 0.65 -0.96 -0.10 0.00 -1.02 0.00 0.00 32.46 31.03 1fdi n ARG 248 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1fdi s THR 249 N -0.89 0.56 -0.04 0.55 -4.23 -0.50 -0.94 115.64 110.15 1fdi s THR 249 Ca 0.00 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.46 1fdi s THR 249 Cb 0.00 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 71.26 1fdi s THR 249 CO 0.00 0.00 0.14 -0.70 -0.54 0.00 0.00 174.62 173.52 1fdi s GLU 250 N -3.92 0.23 0.00 3.99 2.12 0.26 -4.77 118.70 116.61 1fdi s GLU 250 Ca 0.36 0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.78 1fdi s GLU 250 Cb 0.07 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.56 1fdi s GLU 250 CO 0.15 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.25 1fdi n GLY 251 N 2.72 0.75 0.18 -1.50 0.00 -1.26 -0.76 105.19 105.32 1fdi n GLY 251 Ca -0.14 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 1fdi n GLY 251 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1fdi h PHE 252 N 0.00 0.52 0.25 1.61 3.57 -1.91 -2.79 116.94 118.19 1fdi h PHE 252 Ca 0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1fdi h PHE 252 Cb 0.00 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 1fdi h PHE 252 CO 0.00 0.37 -0.42 0.93 -2.23 0.00 0.00 178.31 176.97 1fdi h GLU 253 N 0.51 -0.71 -0.03 1.11 4.39 -1.99 0.18 114.58 118.05 1fdi h GLU 253 Ca 0.14 0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.90 1fdi h GLU 253 Cb 0.01 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1fdi h GLU 253 CO -0.03 -0.47 0.03 0.93 -1.16 0.00 0.00 179.01 178.31 1fdi h GLU 254 N -0.74 0.00 0.01 2.33 4.39 -1.99 -1.60 114.58 116.98 1fdi h GLU 254 Ca -0.01 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1fdi h GLU 254 Cb 0.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1fdi h GLU 254 CO -0.16 0.00 -0.14 -0.92 -1.16 0.00 0.00 179.01 176.63 1fdi h TYR 255 N 0.00 0.13 -0.90 4.33 3.20 -1.11 -3.26 116.97 119.35 1fdi h TYR 255 Ca 0.01 -0.07 0.25 0.00 3.14 0.00 0.00 58.73 62.06 1fdi h TYR 255 Cb 0.07 -0.01 -0.14 0.00 1.54 0.00 0.00 36.73 38.18 1fdi h TYR 255 CO 0.00 0.90 0.28 -0.09 -1.64 0.00 0.00 178.16 177.62 1fdi h ARG 256 N -0.69 0.21 0.43 1.82 2.43 0.28 -2.27 114.38 116.60 1fdi h ARG 256 Ca -0.02 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1fdi h ARG 256 Cb 0.95 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.42 1fdi h ARG 256 CO 0.03 0.14 -0.50 0.87 -1.51 0.00 0.00 179.97 178.99 1fdi h LYS 257 N 0.22 -0.91 -0.15 0.20 6.56 -1.44 -2.25 116.57 118.79 1fdi h LYS 257 Ca 0.58 0.06 0.02 0.00 -1.06 0.00 0.00 60.65 60.26 1fdi h LYS 257 Cb 1.21 0.21 -0.02 0.00 -0.57 0.00 0.00 32.23 33.06 1fdi h LYS 257 CO -0.66 -0.61 0.02 0.82 -2.06 0.00 0.00 179.45 176.96 1fdi h ILE 258 N -0.95 0.92 -0.26 1.86 2.04 -1.48 -2.25 117.51 117.39 1fdi h ILE 258 Ca -0.05 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1fdi h ILE 258 Cb 0.84 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1fdi h ILE 258 CO -0.10 0.01 0.18 -0.37 0.00 0.00 0.00 178.15 177.87 1fdi h VAL 259 N 0.07 0.94 -0.93 1.67 -1.51 -1.48 0.03 116.25 115.04 1fdi h VAL 259 Ca 0.07 -0.05 0.04 0.00 -1.23 0.00 0.00 66.70 65.53 1fdi h VAL 259 Cb 0.07 0.79 -0.05 0.00 -2.13 0.00 0.00 31.29 29.97 1fdi h VAL 259 CO -0.10 0.02 0.61 -0.08 -1.23 0.00 0.00 177.57 176.79 1fdi h GLU 260 N 0.14 1.12 0.53 5.19 4.81 -0.77 -2.41 114.58 123.19 1fdi h GLU 260 Ca 0.12 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1fdi h GLU 260 Cb 0.30 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 29.43 1fdi h GLU 260 CO -0.02 0.74 -0.25 0.78 -0.73 0.00 0.00 179.01 179.53 1fdi h GLY 261 N 1.15 -0.74 -7.53 1.92 0.00 -0.95 -3.38 103.07 93.54 1fdi h GLY 261 Ca 0.37 0.28 -0.47 0.00 0.00 0.00 0.00 47.33 47.50 1fdi h GLY 261 CO -0.12 -0.27 1.63 -1.72 0.00 0.00 0.00 176.54 176.06 1fdi n TYR 262 N -3.96 1.45 -4.18 5.60 4.02 -0.90 -4.94 117.16 114.23 1fdi n TYR 262 Ca -0.09 0.11 -0.29 0.00 -0.01 0.00 0.00 57.90 57.62 1fdi n TYR 262 Cb 0.28 -2.64 -0.09 0.00 -0.02 0.00 0.00 39.34 36.88 1fdi n TYR 262 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1fdi s THR 263 N 11.80 3.71 0.24 -0.72 -4.23 -1.26 -4.33 115.64 120.86 1fdi s THR 263 Ca 1.00 -1.21 -0.13 0.00 -1.18 0.00 0.00 61.69 60.17 1fdi s THR 263 Cb -0.23 -2.79 0.32 0.00 1.34 0.00 0.00 72.50 71.15 1fdi s THR 263 CO 0.28 0.05 1.51 -2.65 -0.54 0.00 0.00 174.62 173.27 1fdi n PRO 264 N 0.42 -0.17 -0.32 3.99 -0.02 -1.26 -0.37 135.00 137.26 1fdi n PRO 264 Ca -0.11 1.51 -0.00 0.00 -2.02 0.00 0.00 63.50 62.87 1fdi n PRO 264 Cb 0.53 -2.24 0.17 0.00 -0.02 0.00 0.00 33.50 31.93 1fdi n PRO 264 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1fdi h GLU 265 N 0.00 1.18 0.00 -0.52 3.07 -1.95 0.14 114.58 116.49 1fdi h GLU 265 Ca 0.39 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 1fdi h GLU 265 Cb 0.64 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1fdi h GLU 265 CO -0.98 0.78 0.00 -1.13 -1.40 0.00 0.00 179.01 176.28 1fdi n SER 266 N -4.41 0.00 -0.11 1.42 3.41 0.50 -3.53 113.62 110.90 1fdi n SER 266 Ca 0.11 -0.60 -0.23 0.00 -0.26 0.00 0.00 58.87 57.90 1fdi n SER 266 Cb 0.04 -0.03 -0.08 0.00 -0.26 0.00 0.00 64.21 63.88 1fdi n SER 266 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1fdi n VAL 267 N -1.03 1.23 0.00 -3.33 0.31 0.43 -4.85 118.33 111.08 1fdi n VAL 267 Ca 0.15 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1fdi n VAL 267 Cb 0.08 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 1fdi n VAL 267 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1fdi n GLU 268 N -3.91 0.00 0.09 5.55 4.07 -0.90 -0.27 120.64 125.27 1fdi n GLU 268 Ca -0.43 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.53 1fdi n GLU 268 Cb 0.82 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 32.13 1fdi n GLU 268 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1fdi h ASP 269 N 0.00 -0.13 -0.06 4.31 3.32 -1.87 0.76 116.42 122.76 1fdi h ASP 269 Ca 0.00 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.03 1fdi h ASP 269 Cb 0.00 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1fdi h ASP 269 CO 0.00 -0.04 -0.12 0.40 -1.72 0.00 0.00 179.24 177.75 1fdi h ILE 270 N -0.21 0.68 0.00 0.35 2.04 -0.97 -2.42 117.51 116.98 1fdi h ILE 270 Ca -0.02 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.72 1fdi h ILE 270 Cb 0.17 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1fdi h ILE 270 CO 0.03 0.00 -0.57 0.71 0.00 0.00 0.00 178.15 178.32 1fdi h THR 271 N -0.18 1.16 -0.11 -0.27 1.35 -1.55 -3.39 112.91 109.92 1fdi h THR 271 Ca 0.06 -2.14 -0.05 0.00 -0.55 0.00 0.00 66.41 63.74 1fdi h THR 271 Cb 0.27 2.24 -0.02 0.00 -1.73 0.00 0.00 68.15 68.91 1fdi h THR 271 CO -0.16 0.56 -0.04 0.61 -0.25 0.00 0.00 175.52 176.23 1fdi n GLY 272 N 0.63 0.55 3.40 5.82 0.00 0.26 -0.19 105.19 115.66 1fdi n GLY 272 Ca 0.00 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 1fdi n GLY 272 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fdi s VAL 273 N -1.95 2.73 0.15 1.61 1.01 -0.85 -4.91 120.40 118.20 1fdi s VAL 273 Ca 0.00 -0.83 -0.31 0.00 0.00 0.00 0.00 61.98 60.84 1fdi s VAL 273 Cb 0.00 -2.06 -0.08 0.00 0.00 0.00 0.00 36.38 34.24 1fdi s VAL 273 CO 0.00 0.57 1.39 -0.94 0.00 0.00 0.00 175.10 176.12 1fdi s SER 274 N -0.43 6.81 0.46 3.32 1.04 -1.26 -3.82 113.70 119.82 1fdi s SER 274 Ca 0.05 2.39 0.36 0.00 0.48 0.00 0.00 55.95 59.23 1fdi s SER 274 Cb -0.12 -2.60 1.53 0.00 0.10 0.00 0.00 66.02 64.94 1fdi s SER 274 CO 0.02 -0.64 1.54 0.00 0.98 0.00 0.00 173.24 175.14 1fdi n ALA 275 N 3.52 1.47 0.40 5.32 0.00 -1.26 0.08 120.51 130.05 1fdi n ALA 275 Ca 0.10 0.81 -0.16 0.00 0.00 0.00 0.00 53.44 54.20 1fdi n ALA 275 Cb 0.42 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.73 1fdi n ALA 275 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fdi h SER 276 N 0.00 -0.86 -0.88 0.00 4.64 -1.94 -1.33 113.55 113.18 1fdi h SER 276 Ca 0.89 0.03 0.14 0.00 -0.47 0.00 0.00 61.79 62.38 1fdi h SER 276 Cb 3.03 0.22 -0.15 0.00 -0.31 0.00 0.00 62.40 65.19 1fdi h SER 276 CO -0.36 -0.59 -0.35 -0.33 -0.87 0.00 0.00 176.83 174.33 1fdi h GLU 277 N -1.07 -0.04 -0.77 4.77 5.08 -0.72 0.39 114.58 122.21 1fdi h GLU 277 Ca -0.10 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.40 1fdi h GLU 277 Cb 0.78 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.95 1fdi h GLU 277 CO 0.17 -0.03 0.33 0.82 -1.00 0.00 0.00 179.01 179.30 1fdi h ILE 278 N -0.04 0.67 -0.23 3.13 2.04 -1.26 0.33 117.51 122.16 1fdi h ILE 278 Ca 0.33 -0.17 -0.09 0.00 1.00 0.00 0.00 64.86 65.94 1fdi h ILE 278 Cb 0.59 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1fdi h ILE 278 CO -0.90 0.09 -0.20 0.03 0.00 0.00 0.00 178.15 177.17 1fdi h ARG 279 N 0.48 0.54 -0.31 2.37 3.08 0.49 -1.87 114.38 119.17 1fdi h ARG 279 Ca 0.42 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 1fdi h ARG 279 Cb 0.63 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1fdi h ARG 279 CO -0.39 0.85 -0.11 0.37 -1.07 0.00 0.00 179.97 179.62 1fdi h GLN 280 N 0.23 0.52 -0.13 0.04 4.15 0.49 0.15 115.11 120.57 1fdi h GLN 280 Ca 0.04 -0.15 -0.19 0.00 0.77 0.00 0.00 58.65 59.12 1fdi h GLN 280 Cb 0.74 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.38 1fdi h GLN 280 CO 0.05 0.64 -0.66 0.00 -1.93 0.00 0.00 178.83 176.93 1fdi h ALA 281 N 1.40 0.26 -0.33 3.38 0.00 -0.36 0.06 119.26 123.66 1fdi h ALA 281 Ca 0.09 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 1fdi h ALA 281 Cb 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1fdi h ALA 281 CO 0.03 0.55 -0.27 0.00 0.00 0.00 0.00 179.25 179.56 1fdi h ALA 282 N 0.51 0.47 -0.18 0.00 0.00 -1.24 0.11 119.26 118.94 1fdi h ALA 282 Ca -0.04 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1fdi h ALA 282 Cb 1.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1fdi h ALA 282 CO 0.14 0.47 0.11 0.00 0.00 0.00 0.00 179.25 179.97 1fdi h ARG 283 N 0.52 0.24 0.83 0.00 3.08 -0.72 -1.83 114.38 116.50 1fdi h ARG 283 Ca 0.06 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1fdi h ARG 283 Cb 0.83 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.84 1fdi h ARG 283 CO 0.07 0.19 -0.40 1.98 -1.07 0.00 0.00 179.97 180.74 1fdi h MET 284 N 0.21 -1.08 -0.57 0.04 4.05 -0.79 0.06 114.93 116.86 1fdi h MET 284 Ca 0.06 0.07 0.11 0.00 -0.28 0.00 0.00 59.70 59.67 1fdi h MET 284 Cb 0.02 0.24 -0.11 0.00 -0.80 0.00 0.00 31.60 30.95 1fdi h MET 284 CO -0.01 -0.72 -0.15 -0.92 0.23 0.00 0.00 176.91 175.34 1fdi h TYR 285 N -1.15 -0.32 0.00 1.39 3.20 -1.00 0.11 116.97 119.21 1fdi h TYR 285 Ca -0.11 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 1fdi h TYR 285 Cb 0.86 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 1fdi h TYR 285 CO 0.03 -0.25 -0.19 0.00 -1.64 0.00 0.00 178.16 176.12 1fdi h ALA 286 N 1.54 1.67 0.00 1.82 0.00 -1.25 -3.00 119.26 120.04 1fdi h ALA 286 Ca 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1fdi h ALA 286 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1fdi h ALA 286 CO -0.59 0.24 -0.05 1.96 0.00 0.00 0.00 179.25 180.81 1fdi h GLN 287 N 0.00 0.00 -6.44 0.00 7.50 0.13 -3.46 115.11 112.84 1fdi h GLN 287 Ca -0.00 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 58.61 1fdi h GLN 287 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.87 1fdi h GLN 287 CO 0.02 0.00 0.69 0.00 -1.50 0.00 0.00 178.83 178.04 1fdi s ALA 288 N -3.15 3.50 0.42 3.87 0.00 -1.02 -4.87 121.76 120.51 1fdi s ALA 288 Ca 0.09 0.88 0.23 0.00 0.00 0.00 0.00 51.96 53.16 1fdi s ALA 288 Cb 0.10 -3.52 1.22 0.00 0.00 0.00 0.00 23.12 20.93 1fdi s ALA 288 CO 0.63 -0.65 1.74 0.87 0.00 0.00 0.00 175.76 178.35 1fdi h LYS 289 N 7.18 0.27 -2.66 0.00 1.57 -1.90 -3.33 116.57 117.70 1fdi h LYS 289 Ca -0.40 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.20 1fdi h LYS 289 Cb 1.20 -0.06 -0.30 0.00 0.08 0.00 0.00 32.23 33.14 1fdi h LYS 289 CO 0.86 0.18 -0.46 -1.12 -0.57 0.00 0.00 179.45 178.34 1fdi s SER 290 N -5.06 0.12 0.02 0.86 0.01 -1.26 -5.02 113.70 103.36 1fdi s SER 290 Ca -0.08 0.72 0.06 0.00 1.31 0.00 0.00 55.95 57.96 1fdi s SER 290 Cb 0.26 0.98 -0.02 0.00 0.21 0.00 0.00 66.02 67.46 1fdi s SER 290 CO 0.80 -0.24 -0.18 0.00 0.41 0.00 0.00 173.24 174.03 1fdi s ALA 291 N 2.50 1.53 -0.03 1.44 0.00 -1.25 0.83 121.76 126.78 1fdi s ALA 291 Ca 0.01 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.12 1fdi s ALA 291 Cb -0.12 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 1fdi s ALA 291 CO -0.11 0.35 -0.15 0.00 0.00 0.00 0.00 175.76 175.86 1fdi s ALA 292 N -0.63 1.31 -0.35 0.00 0.00 0.21 -4.07 121.76 118.22 1fdi s ALA 292 Ca 0.06 -0.60 -0.17 0.00 0.00 0.00 0.00 51.96 51.26 1fdi s ALA 292 Cb -0.08 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 1fdi s ALA 292 CO 0.01 0.25 0.43 0.42 0.00 0.00 0.00 175.76 176.87 1fdi s ILE 293 N -0.01 5.09 -0.16 0.00 1.01 -1.04 -0.48 121.20 125.62 1fdi s ILE 293 Ca -0.01 0.13 -0.06 0.00 0.00 0.00 0.00 60.65 60.70 1fdi s ILE 293 Cb -0.10 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1fdi s ILE 293 CO 0.01 -0.18 0.05 -0.76 0.00 0.00 0.00 174.94 174.06 1fdi s LEU 294 N 2.19 3.81 0.16 2.97 1.43 -0.62 -0.12 118.68 128.50 1fdi s LEU 294 Ca 0.15 0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 53.32 1fdi s LEU 294 Cb -0.16 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 1fdi s LEU 294 CO 0.13 0.23 0.18 -1.66 0.23 0.00 0.00 176.35 175.45 1fdi s TRP 295 N 0.04 0.70 0.00 0.29 -2.14 -0.94 -0.94 118.94 115.95 1fdi s TRP 295 Ca 0.05 -1.05 0.00 0.00 2.66 0.00 0.00 56.10 57.76 1fdi s TRP 295 Cb -0.12 -0.29 0.00 0.00 -3.10 0.00 0.00 33.47 29.95 1fdi s TRP 295 CO 0.01 -0.64 0.00 0.41 -2.66 0.00 0.00 176.95 174.07 1fdi n GLY 296 N -0.18 4.34 0.06 3.67 0.00 -1.08 -2.49 105.19 109.50 1fdi n GLY 296 Ca -0.05 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.60 1fdi n GLY 296 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fdi n MET 297 N 0.00 0.19 0.00 1.61 2.81 -1.24 -2.79 117.12 117.70 1fdi n MET 297 Ca 0.00 0.10 0.06 0.00 -1.81 0.00 0.00 57.70 56.06 1fdi n MET 297 Cb 0.00 -1.67 0.37 0.00 -0.71 0.00 0.00 33.22 31.21 1fdi n MET 297 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1fdi n GLY 298 N 1.38 -0.67 1.04 3.03 0.00 -0.77 -2.25 105.19 106.95 1fdi n GLY 298 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1fdi n GLY 298 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1fdi n VAL 299 N -0.79 0.33 -0.33 1.61 0.31 -1.19 -4.80 118.33 113.47 1fdi n VAL 299 Ca 0.09 0.11 0.09 0.00 -0.01 0.00 0.00 64.34 64.62 1fdi n VAL 299 Cb 0.04 -1.14 0.26 0.00 -0.91 0.00 0.00 33.84 32.09 1fdi n VAL 299 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1fdi h THR 300 N 0.00 0.77 -0.12 2.52 1.35 -1.59 -2.82 112.91 113.03 1fdi h THR 300 Ca 0.00 -0.26 -0.07 0.00 -0.55 0.00 0.00 66.41 65.53 1fdi h THR 300 Cb 0.00 -0.05 -0.04 0.00 -1.73 0.00 0.00 68.15 66.33 1fdi h THR 300 CO 0.00 0.14 0.09 0.00 -0.25 0.00 0.00 175.52 175.49 1fdi n GLN 301 N -4.78 1.16 -4.53 4.72 6.02 -0.96 -4.50 117.38 114.52 1fdi n GLN 301 Ca 0.19 -0.37 -0.24 0.00 -0.01 0.00 0.00 57.00 56.57 1fdi n GLN 301 Cb 0.45 -1.14 -0.17 0.00 1.02 0.00 0.00 30.24 30.40 1fdi n GLN 301 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1fdi s PHE 302 N -0.41 1.40 0.63 1.08 0.08 -1.06 -2.99 117.98 116.70 1fdi s PHE 302 Ca 0.07 -0.52 0.33 0.00 0.12 0.00 0.00 56.93 56.93 1fdi s PHE 302 Cb 0.06 -1.04 1.78 0.00 -0.57 0.00 0.00 43.02 43.24 1fdi s PHE 302 CO 0.01 -0.28 2.00 0.10 -0.10 0.00 0.00 175.22 176.95 1fdi h TYR 303 N 7.03 0.00 -0.19 0.36 -0.00 -1.82 1.49 116.97 123.84 1fdi h TYR 303 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.42 1fdi h TYR 303 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.91 1fdi h TYR 303 CO 0.49 0.00 0.00 1.04 -0.00 0.00 0.00 178.16 179.69 1fdi n GLN 304 N -2.89 2.19 -0.14 0.10 6.02 -1.26 -4.43 117.38 116.96 1fdi n GLN 304 Ca -0.02 -1.00 -0.07 0.00 -0.01 0.00 0.00 57.00 55.89 1fdi n GLN 304 Cb 0.30 -1.69 0.02 0.00 1.02 0.00 0.00 30.24 29.89 1fdi n GLN 304 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1fdi h GLY 305 N 4.78 0.62 1.49 1.08 0.00 0.19 -1.57 103.07 109.67 1fdi h GLY 305 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 1fdi h GLY 305 CO 0.14 0.19 0.12 -2.08 0.00 0.00 0.00 176.54 174.92 1fdi h VAL 306 N 0.56 1.19 -0.20 4.60 2.07 -1.81 -2.42 116.25 120.24 1fdi h VAL 306 Ca 0.17 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 1fdi h VAL 306 Cb -0.02 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1fdi h VAL 306 CO -0.06 0.24 -0.06 -0.33 0.02 0.00 0.00 177.57 177.38 1fdi h GLU 307 N 0.63 0.39 -0.51 1.57 3.07 -1.79 -1.26 114.58 116.68 1fdi h GLU 307 Ca 0.15 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 1fdi h GLU 307 Cb 0.22 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 1fdi h GLU 307 CO -0.01 0.65 0.05 1.15 -1.40 0.00 0.00 179.01 179.46 1fdi h THR 308 N 0.11 1.24 0.54 1.13 2.02 -1.11 0.20 112.91 117.03 1fdi h THR 308 Ca 0.05 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.26 1fdi h THR 308 Cb 0.52 0.80 0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1fdi h THR 308 CO 0.02 0.34 -0.26 0.58 0.37 0.00 0.00 175.52 176.57 1fdi h VAL 309 N 0.77 0.30 -0.85 3.16 2.07 -1.41 0.38 116.25 120.67 1fdi h VAL 309 Ca 0.16 -0.40 0.18 0.00 0.82 0.00 0.00 66.70 67.46 1fdi h VAL 309 Cb 0.40 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1fdi h VAL 309 CO 0.01 0.04 0.56 0.03 0.02 0.00 0.00 177.57 178.24 1fdi h ARG 310 N -1.02 0.44 -0.18 1.57 2.47 -1.13 -1.13 114.38 115.40 1fdi h ARG 310 Ca -0.07 -0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 58.53 1fdi h ARG 310 Cb 0.63 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1fdi h ARG 310 CO 0.12 0.29 -0.23 1.03 0.56 0.00 0.00 179.97 181.74 1fdi h SER 311 N 0.46 0.52 0.12 7.04 0.87 -0.33 -2.50 113.55 119.73 1fdi h SER 311 Ca 0.44 -0.51 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1fdi h SER 311 Cb 1.00 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1fdi h SER 311 CO -0.17 0.92 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.93 1fdi h LEU 312 N 0.13 -0.14 -1.75 2.23 3.38 -0.00 -1.12 115.31 118.03 1fdi h LEU 312 Ca 0.02 -0.08 0.30 0.00 0.09 0.00 0.00 57.88 58.21 1fdi h LEU 312 Cb 0.80 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 1fdi h LEU 312 CO 0.06 -0.01 0.75 0.74 0.09 0.00 0.00 178.44 180.06 1fdi h THR 313 N -0.26 0.48 0.01 0.22 2.02 -1.29 0.86 112.91 114.94 1fdi h THR 313 Ca -0.02 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1fdi h THR 313 Cb 0.21 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1fdi h THR 313 CO 0.03 0.03 -0.00 0.28 0.37 0.00 0.00 175.52 176.22 1fdi h SER 314 N 0.16 -0.01 -0.26 4.18 0.02 -0.73 0.31 113.55 117.22 1fdi h SER 314 Ca 0.55 -0.18 0.06 0.00 -0.84 0.00 0.00 61.79 61.39 1fdi h SER 314 Cb 1.87 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 64.35 1fdi h SER 314 CO -0.12 0.17 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.47 1fdi h LEU 315 N -0.19 -0.66 -0.59 5.07 3.38 -0.67 0.32 115.31 121.98 1fdi h LEU 315 Ca -0.00 0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.20 1fdi h LEU 315 Cb 0.19 0.33 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 1fdi h LEU 315 CO 0.00 -0.24 0.18 0.00 0.09 0.00 0.00 178.44 178.47 1fdi h ALA 316 N 0.93 0.73 0.77 1.53 0.00 -1.30 -0.13 119.26 121.80 1fdi h ALA 316 Ca 0.14 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1fdi h ALA 316 Cb 0.41 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1fdi h ALA 316 CO -0.38 -0.25 -0.44 0.52 0.00 0.00 0.00 179.25 178.71 1fdi h MET 317 N 0.33 -1.09 -0.40 0.00 2.86 0.10 -0.53 114.93 116.22 1fdi h MET 317 Ca 0.30 0.07 0.12 0.00 -2.06 0.00 0.00 59.70 58.13 1fdi h MET 317 Cb 0.40 0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 1fdi h MET 317 CO -0.34 -0.72 0.67 1.25 1.06 0.00 0.00 176.91 178.82 1fdi h LEU 318 N -1.13 0.00 -2.80 1.22 5.85 0.11 0.22 115.31 118.79 1fdi h LEU 318 Ca -0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1fdi h LEU 318 Cb 0.89 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1fdi h LEU 318 CO 0.13 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 178.58 1fdi n THR 319 N -3.24 0.94 -1.35 1.05 -2.24 -0.11 -0.44 114.28 108.88 1fdi n THR 319 Ca 0.08 -0.97 -0.12 0.00 -2.27 0.00 0.00 64.05 60.77 1fdi n THR 319 Cb 0.82 0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 69.54 1fdi n THR 319 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fdi n GLY 320 N 0.45 1.22 2.16 3.38 0.00 0.77 -4.75 105.19 108.41 1fdi n GLY 320 Ca 0.10 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1fdi n GLY 320 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fdi n ASN 321 N -0.74 6.36 -3.60 1.61 3.02 -0.26 -4.79 115.26 116.87 1fdi n ASN 321 Ca -0.12 -2.62 -0.16 0.00 -0.03 0.00 0.00 54.58 51.65 1fdi n ASN 321 Cb 0.51 -1.43 -0.07 0.00 -0.61 0.00 0.00 39.78 38.19 1fdi n ASN 321 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1fdi s LEU 322 N -0.34 -0.14 -0.13 3.41 1.43 -1.26 0.39 118.68 122.04 1fdi s LEU 322 Ca 0.66 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 1fdi s LEU 322 Cb 0.29 2.12 0.00 0.00 0.03 0.00 0.00 46.19 48.62 1fdi s LEU 322 CO -0.05 -0.59 0.00 0.61 0.23 0.00 0.00 176.35 176.56 1fdi n GLY 323 N 0.91 0.50 3.13 -3.19 0.00 -1.24 -4.95 105.19 100.36 1fdi n GLY 323 Ca -0.20 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 1fdi n GLY 323 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fdi s LYS 324 N -1.42 0.56 0.73 1.61 -2.85 -1.26 -4.54 119.74 112.57 1fdi s LYS 324 Ca 0.00 -0.50 -0.14 0.00 -1.00 0.00 0.00 55.97 54.33 1fdi s LYS 324 Cb 0.00 0.23 0.04 0.00 -2.06 0.00 0.00 37.83 36.04 1fdi s LYS 324 CO 0.00 -0.14 1.15 -1.25 0.10 0.00 0.00 175.35 175.21 1fdi s PRO 325 N -1.85 2.29 -1.56 1.78 0.04 -1.26 -3.56 135.00 130.87 1fdi s PRO 325 Ca -0.11 1.53 -0.04 0.00 0.04 0.00 0.00 61.00 62.42 1fdi s PRO 325 Cb -0.05 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.63 1fdi s PRO 325 CO -0.00 -1.67 0.40 0.72 0.04 0.00 0.00 177.00 176.48 1fdi n HIS 326 N -2.85 -1.67 -1.04 0.56 8.25 -1.26 -4.93 115.22 112.28 1fdi n HIS 326 Ca 0.12 0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 1fdi n HIS 326 Cb 0.51 -4.11 0.00 0.00 1.12 0.00 0.00 29.99 27.51 1fdi n HIS 326 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fdi n ALA 327 N -3.07 0.00 0.00 -1.41 0.00 -1.23 -4.25 120.51 110.55 1fdi n ALA 327 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1fdi n ALA 327 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1fdi n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fdi n GLY 328 N 0.00 -1.86 3.17 0.00 0.00 0.16 -4.58 105.19 102.07 1fdi n GLY 328 Ca 0.00 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 1fdi n GLY 328 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fdi s VAL 329 N 0.00 1.99 -0.52 1.61 1.01 -1.26 -2.48 120.40 120.74 1fdi s VAL 329 Ca 0.00 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.07 1fdi s VAL 329 Cb 0.00 -1.75 0.16 0.00 0.00 0.00 0.00 36.38 34.79 1fdi s VAL 329 CO 0.00 0.54 0.38 0.20 0.00 0.00 0.00 175.10 176.22 1fdi s ASN 330 N 0.73 3.03 -0.60 3.32 0.01 0.83 -0.08 114.94 122.18 1fdi s ASN 330 Ca -0.10 -3.29 -0.28 0.00 -0.71 0.00 0.00 52.86 48.49 1fdi s ASN 330 Cb -0.16 -0.97 0.02 0.00 0.41 0.00 0.00 41.25 40.55 1fdi s ASN 330 CO 0.00 -0.15 1.36 -2.16 -1.51 0.00 0.00 177.10 174.65 1fdi s PRO 331 N -0.46 3.29 -0.38 -0.60 0.04 -1.26 -2.22 135.00 133.42 1fdi s PRO 331 Ca 0.28 0.29 -0.28 0.00 0.04 0.00 0.00 61.00 61.33 1fdi s PRO 331 Cb -0.04 -4.12 -0.02 0.00 0.04 0.00 0.00 34.50 30.36 1fdi s PRO 331 CO -0.16 -1.96 1.81 0.08 0.04 0.00 0.00 177.00 176.81 1fdi s VAL 332 N 5.91 3.46 0.64 -0.36 1.01 -1.04 -4.56 120.40 125.47 1fdi s VAL 332 Ca 0.48 0.44 -0.18 0.00 0.00 0.00 0.00 61.98 62.72 1fdi s VAL 332 Cb -0.10 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1fdi s VAL 332 CO 0.23 -0.49 1.30 -0.13 0.00 0.00 0.00 175.10 176.01 1fdi s ARG 333 N 5.90 2.58 0.00 2.72 1.81 -1.26 -4.85 118.95 125.85 1fdi s ARG 333 Ca 0.78 2.07 0.00 0.00 -1.72 0.00 0.00 55.73 56.86 1fdi s ARG 333 Cb -0.21 -1.86 0.00 0.00 -0.45 0.00 0.00 34.95 32.43 1fdi s ARG 333 CO 0.32 -1.58 0.05 0.41 -0.68 0.00 0.00 175.30 173.81 1fdi n GLY 334 N 0.89 0.39 3.72 -3.53 0.00 -1.26 -4.38 105.19 101.02 1fdi n GLY 334 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1fdi n GLY 334 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fdi s GLN 335 N -0.10 2.12 0.20 1.61 -0.21 -1.26 -1.53 119.66 120.49 1fdi s GLN 335 Ca 0.00 1.85 -0.19 0.00 0.02 0.00 0.00 55.36 57.04 1fdi s GLN 335 Cb 0.00 -1.82 0.18 0.00 1.00 0.00 0.00 33.01 32.37 1fdi s GLN 335 CO 0.00 -1.87 1.58 -2.95 -2.12 0.00 0.00 175.29 169.92 1fdi h ASN 336 N -0.22 -1.22 -0.30 5.90 7.08 -1.20 -2.66 115.58 122.96 1fdi h ASN 336 Ca -0.48 0.26 -0.04 0.00 -3.08 0.00 0.00 56.30 52.96 1fdi h ASN 336 Cb 1.31 0.63 -0.02 0.00 -2.08 0.00 0.00 38.32 38.16 1fdi h ASN 336 CO 0.50 -0.30 0.01 -3.20 -2.08 0.00 0.00 177.43 172.36 1fdi n ASN 337 N -5.45 3.73 0.04 6.14 5.15 0.79 -4.48 115.26 121.18 1fdi n ASN 337 Ca 0.07 -3.14 0.01 0.00 -0.60 0.00 0.00 54.58 50.91 1fdi n ASN 337 Cb 0.37 -0.57 0.32 0.00 -0.53 0.00 0.00 39.78 39.38 1fdi n ASN 337 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 1fdi h VAL 338 N 1.72 1.19 0.03 3.44 3.04 -1.46 -1.55 116.25 122.66 1fdi h VAL 338 Ca 0.05 -0.79 -0.00 0.00 -1.01 0.00 0.00 66.70 64.94 1fdi h VAL 338 Cb 1.52 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 1fdi h VAL 338 CO 0.27 0.26 -0.02 -0.61 -1.01 0.00 0.00 177.57 176.47 1fdi h GLN 339 N 0.42 -0.04 -0.77 4.17 5.75 -1.79 -3.18 115.11 119.66 1fdi h GLN 339 Ca 0.09 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.61 1fdi h GLN 339 Cb 0.35 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.87 1fdi h GLN 339 CO 0.01 0.12 0.50 0.78 -2.65 0.00 0.00 178.83 177.59 1fdi h GLY 340 N -0.20 1.10 0.67 2.39 0.00 -1.49 -1.73 103.07 103.82 1fdi h GLY 340 Ca -0.00 -0.39 0.08 0.00 0.00 0.00 0.00 47.33 47.02 1fdi h GLY 340 CO 0.01 0.35 0.64 0.00 0.00 0.00 0.00 176.54 177.54 1fdi h ALA 341 N 1.31 1.45 -0.08 3.60 0.00 -1.31 0.20 119.26 124.43 1fdi h ALA 341 Ca 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1fdi h ALA 341 Cb -0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1fdi h ALA 341 CO -0.09 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1fdi h ASP 343 N -0.14 0.03 0.61 0.00 3.32 -0.21 0.32 116.42 120.34 1fdi h ASP 343 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1fdi h ASP 343 Cb 0.33 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1fdi h ASP 343 CO 0.00 0.01 -0.92 0.23 -1.72 0.00 0.00 179.24 176.84 1fdi n MET 344 N -4.26 0.33 0.00 3.56 2.81 0.54 -0.91 117.12 119.19 1fdi n MET 344 Ca 0.21 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 1fdi n MET 344 Cb 1.03 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.90 1fdi n MET 344 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1fdi n GLY 345 N 1.34 1.30 1.92 3.03 0.00 0.11 -2.74 105.19 110.15 1fdi n GLY 345 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1fdi n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fdi n ALA 346 N -1.27 5.76 -2.70 4.61 0.00 -0.00 -4.67 120.51 122.23 1fdi n ALA 346 Ca 0.00 -1.43 -0.18 0.00 0.00 0.00 0.00 53.44 51.83 1fdi n ALA 346 Cb 0.00 -2.08 -0.13 0.00 0.00 0.00 0.00 19.45 17.25 1fdi n ALA 346 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1fdi s LEU 347 N 0.00 2.21 0.00 0.00 1.43 -1.21 -1.93 118.68 119.18 1fdi s LEU 347 Ca 0.52 -0.51 0.11 0.00 -1.03 0.00 0.00 54.13 53.23 1fdi s LEU 347 Cb 0.25 -0.49 0.48 0.00 0.03 0.00 0.00 46.19 46.46 1fdi s LEU 347 CO 0.00 -0.04 1.34 -0.81 0.23 0.00 0.00 176.35 177.07 1fdi n PRO 348 N 1.67 1.33 0.00 1.29 -0.04 0.11 -3.88 135.00 135.48 1fdi n PRO 348 Ca -0.20 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.76 1fdi n PRO 348 Cb 0.55 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 1fdi n PRO 348 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1fdi n ASP 349 N -0.17 0.62 -3.81 3.54 5.75 -1.26 -0.73 116.55 120.49 1fdi n ASP 349 Ca 0.09 -1.24 -0.12 0.00 -0.01 0.00 0.00 54.79 53.51 1fdi n ASP 349 Cb 0.15 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.15 1fdi n ASP 349 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1fdi s THR 350 N -0.24 0.07 0.85 2.12 2.01 -1.25 -3.02 115.64 116.18 1fdi s THR 350 Ca 0.00 -0.61 -0.07 0.00 0.31 0.00 0.00 61.69 61.32 1fdi s THR 350 Cb 0.00 -0.58 0.18 0.00 0.01 0.00 0.00 72.50 72.11 1fdi s THR 350 CO 0.00 -0.34 1.16 -0.31 -0.69 0.00 0.00 174.62 174.44 1fdi s TYR 351 N -1.51 1.25 1.07 4.92 2.02 0.15 -4.51 117.35 120.75 1fdi s TYR 351 Ca -0.13 -0.15 -0.13 0.00 -0.37 0.00 0.00 57.07 56.29 1fdi s TYR 351 Cb -0.06 -3.49 0.23 0.00 -0.40 0.00 0.00 41.96 38.24 1fdi s TYR 351 CO 0.02 -2.26 1.07 -1.25 -1.57 0.00 0.00 175.55 171.56 1fdi s PRO 352 N -5.49 -0.12 -0.76 -1.71 0.04 -1.11 -2.83 135.00 123.02 1fdi s PRO 352 Ca 0.72 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1fdi s PRO 352 Cb -0.03 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1fdi s PRO 352 CO 0.49 -3.13 0.00 0.41 0.04 0.00 0.00 177.00 174.81 1fdi n GLY 353 N -0.39 0.83 3.48 0.56 0.00 -0.09 -3.28 105.19 106.31 1fdi n GLY 353 Ca 0.04 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 1fdi n GLY 353 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1fdi n TYR 354 N -2.49 -2.66 -3.64 1.61 4.01 -1.13 -4.87 117.16 108.00 1fdi n TYR 354 Ca -0.07 0.96 -0.38 0.00 -0.16 0.00 0.00 57.90 58.25 1fdi n TYR 354 Cb 0.39 -4.88 -0.08 0.00 -0.31 0.00 0.00 39.34 34.46 1fdi n TYR 354 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1fdi s GLN 355 N -6.11 2.84 0.35 -0.72 -0.21 -1.20 -4.86 119.66 109.75 1fdi s GLN 355 Ca 0.48 -2.61 -0.26 0.00 0.02 0.00 0.00 55.36 52.99 1fdi s GLN 355 Cb -0.21 -3.89 -0.13 0.00 1.00 0.00 0.00 33.01 29.78 1fdi s GLN 355 CO 0.70 -1.21 0.89 0.66 -2.12 0.00 0.00 175.29 174.21 1fdi n TYR 356 N 3.44 0.79 0.29 0.91 4.02 -1.26 -0.67 117.16 124.67 1fdi n TYR 356 Ca 0.10 0.65 0.18 0.00 -0.01 0.00 0.00 57.90 58.82 1fdi n TYR 356 Cb 0.39 -2.17 0.72 0.00 -0.02 0.00 0.00 39.34 38.26 1fdi n TYR 356 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 1fdi h VAL 357 N 1.54 0.00 -0.88 -0.72 -1.51 -1.86 -3.01 116.25 109.81 1fdi h VAL 357 Ca -0.41 -0.47 -0.01 0.00 -1.23 0.00 0.00 66.70 64.58 1fdi h VAL 357 Cb 1.36 1.46 -0.04 0.00 -2.13 0.00 0.00 31.29 31.94 1fdi h VAL 357 CO 0.57 0.00 0.50 0.07 -1.23 0.00 0.00 177.57 177.48 1fdi h LYS 358 N 0.00 1.21 -6.30 5.19 2.10 -1.84 -3.41 116.57 113.53 1fdi h LYS 358 Ca 0.00 -0.13 -0.54 0.00 -2.00 0.00 0.00 60.65 57.98 1fdi h LYS 358 Cb 0.47 -0.24 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1fdi h LYS 358 CO 0.00 0.88 1.18 0.34 -2.00 0.00 0.00 179.45 179.85 1fdi s ASP 359 N -6.17 6.48 0.40 7.07 -1.08 -1.14 -4.89 116.67 117.34 1fdi s ASP 359 Ca -0.13 2.40 0.20 0.00 -0.52 0.00 0.00 52.55 54.51 1fdi s ASP 359 Cb 0.16 -2.53 0.76 0.00 -1.46 0.00 0.00 42.92 39.85 1fdi s ASP 359 CO 0.82 -1.06 1.76 1.55 0.52 0.00 0.00 175.17 178.77 1fdi h PRO 360 N 10.39 0.00 -0.51 4.34 0.13 -1.89 -2.82 132.00 141.64 1fdi h PRO 360 Ca -0.44 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 1fdi h PRO 360 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1fdi h PRO 360 CO 0.95 0.32 0.14 0.00 -0.23 0.00 0.00 178.00 179.18 1fdi h ALA 361 N 1.68 1.29 -0.05 -0.56 0.00 -1.95 1.00 119.26 120.67 1fdi h ALA 361 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1fdi h ALA 361 Cb 0.84 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1fdi h ALA 361 CO 0.04 0.50 -0.08 -0.91 0.00 0.00 0.00 179.25 178.80 1fdi h ASN 362 N 0.74 0.16 -0.67 0.00 2.35 -1.84 -2.96 115.58 113.37 1fdi h ASN 362 Ca 0.17 -0.55 0.06 0.00 -0.55 0.00 0.00 56.30 55.44 1fdi h ASN 362 Cb 0.25 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.51 1fdi h ASN 362 CO -0.01 0.68 0.36 0.03 -1.65 0.00 0.00 177.43 176.85 1fdi h ARG 363 N -0.35 0.64 -0.86 0.81 3.08 -1.22 -0.37 114.38 116.11 1fdi h ARG 363 Ca 0.00 -0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.12 1fdi h ARG 363 Cb 0.65 -0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.47 1fdi h ARG 363 CO 0.02 0.43 0.49 1.49 -1.07 0.00 0.00 179.97 181.33 1fdi h GLU 364 N 0.66 0.79 0.16 0.04 4.81 -0.83 0.10 114.58 120.32 1fdi h GLU 364 Ca 0.31 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1fdi h GLU 364 Cb 0.22 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1fdi h GLU 364 CO -0.20 0.52 -0.08 -0.22 -0.73 0.00 0.00 179.01 178.30 1fdi h LYS 365 N 0.81 -0.21 -0.24 1.92 3.64 -1.08 -1.96 116.57 119.45 1fdi h LYS 365 Ca 0.42 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.87 1fdi h LYS 365 Cb 0.41 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.21 1fdi h LYS 365 CO -0.26 -0.14 -0.24 0.74 -2.27 0.00 0.00 179.45 177.28 1fdi h PHE 366 N -0.25 -0.64 -0.81 1.91 0.04 -0.99 -0.27 116.94 115.93 1fdi h PHE 366 Ca -0.02 0.04 0.07 0.00 2.80 0.00 0.00 57.97 60.86 1fdi h PHE 366 Cb 0.17 0.32 -0.05 0.00 2.20 0.00 0.00 35.95 38.58 1fdi h PHE 366 CO 0.15 -0.32 0.53 0.00 -0.60 0.00 0.00 178.31 178.08 1fdi h ALA 367 N 0.79 1.65 0.75 2.45 0.00 -0.88 0.22 119.26 124.24 1fdi h ALA 367 Ca 0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1fdi h ALA 367 Cb 0.46 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1fdi h ALA 367 CO -0.38 0.21 -0.36 -0.22 0.00 0.00 0.00 179.25 178.50 1fdi h LYS 368 N 0.85 -0.97 -0.77 0.00 3.64 -0.39 1.10 116.57 120.02 1fdi h LYS 368 Ca 0.36 0.07 0.15 0.00 -1.27 0.00 0.00 60.65 59.96 1fdi h LYS 368 Cb 0.30 0.22 -0.10 0.00 -0.41 0.00 0.00 32.23 32.24 1fdi h LYS 368 CO -0.13 -0.63 0.31 0.00 -2.27 0.00 0.00 179.45 176.73 1fdi h ALA 369 N -1.05 1.10 -0.03 5.00 0.00 -0.31 0.89 119.26 124.85 1fdi h ALA 369 Ca -0.10 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1fdi h ALA 369 Cb 0.79 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1fdi h ALA 369 CO 0.17 -0.22 0.00 0.91 0.00 0.00 0.00 179.25 180.10 1fdi n TRP 370 N -5.01 0.04 -3.33 0.00 8.01 0.70 -4.86 117.44 112.98 1fdi n TRP 370 Ca 0.15 -0.02 -0.24 0.00 -1.31 0.00 0.00 57.50 56.09 1fdi n TRP 370 Cb 0.44 0.00 0.05 0.00 -2.01 0.00 0.00 31.31 29.80 1fdi n TRP 370 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1fdi n GLY 371 N 0.82 -0.53 3.52 6.99 0.00 0.31 -4.99 105.19 111.30 1fdi n GLY 371 Ca 0.13 0.19 -0.27 0.00 0.00 0.00 0.00 46.02 46.07 1fdi n GLY 371 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fdi s VAL 372 N -3.24 2.89 -0.03 1.61 1.01 0.36 -5.01 120.40 118.00 1fdi s VAL 372 Ca 0.45 -1.82 -0.18 0.00 0.00 0.00 0.00 61.98 60.43 1fdi s VAL 372 Cb -0.20 -2.43 -0.11 0.00 0.00 0.00 0.00 36.38 33.64 1fdi s VAL 372 CO 0.56 -0.13 0.78 -0.08 0.00 0.00 0.00 175.10 176.22 1fdi h GLU 373 N 2.95 -0.50 -4.40 2.72 4.81 -1.94 -3.36 114.58 114.86 1fdi h GLU 373 Ca -0.46 0.03 -0.31 0.00 -0.13 0.00 0.00 59.36 58.49 1fdi h GLU 373 Cb 1.21 0.11 -0.26 0.00 0.63 0.00 0.00 28.75 30.44 1fdi h GLU 373 CO 0.52 -0.25 -0.75 -1.12 -0.73 0.00 0.00 179.01 176.69 1fdi s SER 374 N -4.99 0.70 -0.12 1.04 0.01 -1.26 -4.95 113.70 104.12 1fdi s SER 374 Ca -0.10 -0.24 -0.00 0.00 1.31 0.00 0.00 55.95 56.92 1fdi s SER 374 Cb 0.01 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.19 1fdi s SER 374 CO 0.33 -0.02 -0.12 -0.76 0.41 0.00 0.00 173.24 173.08 1fdi s LEU 375 N -0.59 2.81 0.31 2.44 1.43 -1.26 -5.03 118.68 118.79 1fdi s LEU 375 Ca -0.02 -0.27 -0.25 0.00 -1.03 0.00 0.00 54.13 52.56 1fdi s LEU 375 Cb -0.05 -1.63 -0.16 0.00 0.03 0.00 0.00 46.19 44.38 1fdi s LEU 375 CO -0.00 0.20 0.35 -0.81 0.23 0.00 0.00 176.35 176.32 1fdi n PRO 376 N 3.33 0.08 -0.00 1.29 -0.04 -1.26 -4.92 135.00 133.47 1fdi n PRO 376 Ca -0.18 0.03 0.03 0.00 -0.04 0.00 0.00 63.50 63.34 1fdi n PRO 376 Cb 0.53 -1.06 -0.04 0.00 -0.04 0.00 0.00 33.50 32.89 1fdi n PRO 376 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fdi n ALA 377 N -0.49 2.80 -2.75 0.55 0.00 -1.26 -4.91 120.51 114.45 1fdi n ALA 377 Ca 0.14 -0.18 -0.37 0.00 0.00 0.00 0.00 53.44 53.04 1fdi n ALA 377 Cb 0.33 -0.23 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 1fdi n ALA 377 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1fdi s HIS 378 N -1.63 3.63 0.33 0.00 -3.43 -1.26 -4.12 115.29 108.81 1fdi s HIS 378 Ca 0.02 0.67 -0.28 0.00 -0.80 0.00 0.00 55.06 54.68 1fdi s HIS 378 Cb 0.05 -2.05 -0.13 0.00 -1.43 0.00 0.00 32.58 29.02 1fdi s HIS 378 CO 0.26 0.69 1.12 2.41 -2.00 0.00 0.00 174.74 177.22 1fdi n THR 379 N 1.79 2.05 -1.54 -5.38 -1.04 -1.26 -4.56 114.28 104.35 1fdi n THR 379 Ca -0.17 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.04 1fdi n THR 379 Cb 0.54 -1.24 0.22 0.00 -1.82 0.00 0.00 70.33 68.02 1fdi n THR 379 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1fdi s GLY 380 N -0.48 1.70 -0.19 3.41 0.00 0.09 -4.90 107.32 106.96 1fdi s GLY 380 Ca 0.58 -1.14 -0.25 0.00 0.00 0.00 0.00 44.72 43.91 1fdi s GLY 380 CO 0.61 -0.29 0.84 -0.19 0.00 0.00 0.00 173.10 174.06 1fdi s TYR 381 N -3.50 3.39 0.28 1.90 2.02 -1.26 -4.86 117.35 115.32 1fdi s TYR 381 Ca 0.73 1.23 -0.29 0.00 -0.37 0.00 0.00 57.07 58.37 1fdi s TYR 381 Cb -0.06 -3.03 -0.10 0.00 -0.40 0.00 0.00 41.96 38.37 1fdi s TYR 381 CO 0.54 -0.29 1.39 1.03 -1.57 0.00 0.00 175.55 176.65 1fdi s ARG 382 N 2.36 4.30 0.54 -0.62 1.81 -1.26 -4.50 118.95 121.58 1fdi s ARG 382 Ca 0.38 2.27 0.28 0.00 -1.72 0.00 0.00 55.73 56.93 1fdi s ARG 382 Cb -0.16 -3.09 1.44 0.00 -0.45 0.00 0.00 34.95 32.69 1fdi s ARG 382 CO 0.11 -0.34 1.96 0.97 -0.68 0.00 0.00 175.30 177.32 1fdi h ILE 383 N 3.35 0.62 0.00 1.52 6.09 -1.91 -1.01 117.51 126.17 1fdi h ILE 383 Ca -0.47 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 1fdi h ILE 383 Cb 1.22 0.67 0.00 0.00 0.47 0.00 0.00 36.82 39.18 1fdi h ILE 383 CO 0.73 0.00 0.00 -1.54 -3.07 0.00 0.00 178.15 174.27 1fdi n SER 384 N -4.23 0.00 -0.82 2.19 3.41 -1.26 -2.31 113.62 110.60 1fdi n SER 384 Ca 0.12 0.09 0.10 0.00 -0.26 0.00 0.00 58.87 58.91 1fdi n SER 384 Cb 0.71 -0.30 0.10 0.00 -0.26 0.00 0.00 64.21 64.45 1fdi n SER 384 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1fdi n GLU 385 N -1.30 1.83 -0.21 4.33 1.02 -0.38 -4.70 120.64 121.22 1fdi n GLU 385 Ca 0.07 -1.74 0.01 0.00 -0.02 0.00 0.00 57.16 55.49 1fdi n GLU 385 Cb 0.13 -1.39 0.10 0.00 -0.02 0.00 0.00 31.44 30.27 1fdi n GLU 385 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1fdi h LEU 386 N 3.87 -0.32 -1.49 -4.62 5.85 -1.59 0.18 115.31 117.19 1fdi h LEU 386 Ca 0.00 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1fdi h LEU 386 Cb 0.83 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1fdi h LEU 386 CO 0.00 -0.13 -0.20 -0.65 -0.34 0.00 0.00 178.44 177.11 1fdi h PRO 387 N 0.10 0.00 -0.07 5.25 0.11 -1.85 0.59 132.00 136.13 1fdi h PRO 387 Ca 0.33 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.21 1fdi h PRO 387 Cb 0.54 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.65 1fdi h PRO 387 CO -0.56 0.20 -0.87 1.25 -0.21 0.00 0.00 178.00 177.82 1fdi h HIS 388 N 0.00 0.88 -0.08 0.65 -0.00 -1.08 -2.25 115.15 113.27 1fdi h HIS 388 Ca -0.00 -0.43 -0.05 0.00 -0.00 0.00 0.00 60.37 59.89 1fdi h HIS 388 Cb 0.56 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 27.85 1fdi h HIS 388 CO 0.00 1.25 -0.13 0.00 -0.00 0.00 0.00 177.93 179.05 1fdi h ARG 389 N 0.40 0.23 -0.41 5.26 2.47 -0.62 -2.93 114.38 118.78 1fdi h ARG 389 Ca -0.07 -0.14 0.06 0.00 -1.26 0.00 0.00 59.98 58.57 1fdi h ARG 389 Cb 1.49 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 29.77 1fdi h ARG 389 CO 0.17 0.70 0.09 0.00 0.56 0.00 0.00 179.97 181.49 1fdi h ALA 390 N 0.52 0.45 -0.36 0.04 0.00 0.14 0.34 119.26 120.40 1fdi h ALA 390 Ca 0.01 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1fdi h ALA 390 Cb 0.68 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1fdi h ALA 390 CO 0.03 -0.31 -0.32 0.00 0.00 0.00 0.00 179.25 178.65 1fdi h ALA 391 N 1.31 0.76 0.00 0.00 0.00 -1.51 -1.95 119.26 117.86 1fdi h ALA 391 Ca 0.20 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1fdi h ALA 391 Cb 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1fdi h ALA 391 CO -0.25 0.65 0.00 0.72 0.00 0.00 0.00 179.25 180.37 1fdi n HIS 392 N -4.07 0.00 -2.02 0.00 -0.00 -0.69 -4.85 115.22 103.59 1fdi n HIS 392 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.54 1fdi n HIS 392 Cb 0.49 -0.33 -0.03 0.00 -0.00 0.00 0.00 29.99 30.13 1fdi n HIS 392 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1fdi n GLY 393 N 0.58 0.39 0.13 -1.41 0.00 0.84 -4.85 105.19 100.88 1fdi n GLY 393 Ca 0.09 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 45.97 1fdi n GLY 393 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1fdi h GLU 394 N 0.00 0.00 -6.16 1.61 4.81 -0.82 -3.45 114.58 110.58 1fdi h GLU 394 Ca -0.38 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.27 1fdi h GLU 394 Cb 1.23 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.37 1fdi h GLU 394 CO 0.48 0.24 -0.84 0.08 -0.73 0.00 0.00 179.01 178.25 1fdi s VAL 395 N -3.08 1.71 0.00 0.32 1.01 -1.19 -4.29 120.40 114.88 1fdi s VAL 395 Ca 0.01 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.62 1fdi s VAL 395 Cb 0.08 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.94 1fdi s VAL 395 CO 0.76 0.09 0.00 0.54 0.00 0.00 0.00 175.10 176.49 1fdi n ARG 396 N 1.49 3.75 -3.69 2.72 1.74 0.45 -4.41 116.66 118.71 1fdi n ARG 396 Ca -0.18 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.75 1fdi n ARG 396 Cb 0.53 -0.33 -0.08 0.00 -1.02 0.00 0.00 32.46 31.57 1fdi n ARG 396 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fdi s ALA 397 N -0.61 -1.05 -0.05 7.54 0.00 -1.16 -0.24 121.76 126.19 1fdi s ALA 397 Ca 0.00 0.57 -0.00 0.00 0.00 0.00 0.00 51.96 52.53 1fdi s ALA 397 Cb 0.00 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.23 1fdi s ALA 397 CO 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 175.76 175.44 1fdi s ALA 398 N -1.42 0.57 -1.12 0.00 0.00 -0.48 -1.82 121.76 117.49 1fdi s ALA 398 Ca -0.12 -0.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.73 1fdi s ALA 398 Cb -0.03 -0.51 0.25 0.00 0.00 0.00 0.00 23.12 22.83 1fdi s ALA 398 CO 0.05 -0.20 1.16 -0.47 0.00 0.00 0.00 175.76 176.31 1fdi s TYR 399 N 1.34 4.10 -0.25 0.00 6.14 0.16 -0.52 117.35 128.33 1fdi s TYR 399 Ca -0.05 -2.55 -0.29 0.00 0.64 0.00 0.00 57.07 54.82 1fdi s TYR 399 Cb -0.13 -3.94 0.00 0.00 0.42 0.00 0.00 41.96 38.31 1fdi s TYR 399 CO -0.02 -1.04 1.21 0.42 0.64 0.00 0.00 175.55 176.75 1fdi s ILE 400 N -0.62 4.34 -0.03 3.14 1.09 0.26 -2.71 121.20 126.67 1fdi s ILE 400 Ca 0.33 1.57 0.05 0.00 -1.10 0.00 0.00 60.65 61.50 1fdi s ILE 400 Cb -0.09 -4.17 -0.01 0.00 -1.06 0.00 0.00 42.46 37.13 1fdi s ILE 400 CO -0.06 -0.31 -0.19 -0.32 -0.10 0.00 0.00 174.94 173.95 1fdi s MET 401 N 3.69 1.78 -1.53 2.79 -2.45 -1.26 -0.39 119.30 121.94 1fdi s MET 401 Ca 0.52 -0.69 -0.12 0.00 -1.25 0.00 0.00 55.69 54.15 1fdi s MET 401 Cb -0.17 -1.62 0.08 0.00 1.25 0.00 0.00 34.83 34.37 1fdi s MET 401 CO 0.16 0.35 0.87 0.41 1.05 0.00 0.00 175.02 177.85 1fdi n GLY 402 N 2.86 -0.44 3.29 2.11 0.00 0.62 -4.45 105.19 109.18 1fdi n GLY 402 Ca -0.17 0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1fdi n GLY 402 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fdi s GLU 403 N -6.60 1.03 -0.48 1.61 2.02 -1.26 -4.51 118.70 110.51 1fdi s GLU 403 Ca 0.55 -0.99 0.08 0.00 0.02 0.00 0.00 54.97 54.63 1fdi s GLU 403 Cb -0.28 0.39 0.28 0.00 0.10 0.00 0.00 34.13 34.62 1fdi s GLU 403 CO 0.85 -0.37 0.67 -3.47 0.02 0.00 0.00 175.26 172.97 1fdi n ASP 404 N -0.16 1.86 -0.20 -0.19 2.03 -1.26 -4.89 116.55 113.74 1fdi n ASP 404 Ca -0.12 -3.09 -0.02 0.00 0.52 0.00 0.00 54.79 52.08 1fdi n ASP 404 Cb 0.63 -0.64 0.08 0.00 -0.72 0.00 0.00 41.12 40.47 1fdi n ASP 404 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1fdi h PRO 405 N 3.76 0.51 0.00 -0.67 0.13 -1.98 -1.38 132.00 132.38 1fdi h PRO 405 Ca 0.12 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1fdi h PRO 405 Cb 0.78 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1fdi h PRO 405 CO 0.62 0.34 0.05 1.28 -0.23 0.00 0.00 178.00 180.07 1fdi n LEU 406 N -4.89 0.00 0.00 1.56 4.77 -1.26 -0.60 117.00 116.58 1fdi n LEU 406 Ca 0.07 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1fdi n LEU 406 Cb 0.19 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1fdi n LEU 406 CO 0.27 -0.20 -0.25 1.67 -1.33 0.00 0.00 177.39 177.55 1fdi n GLN 407 N -1.14 1.78 -0.00 3.23 -0.06 -0.92 -4.87 117.38 115.39 1fdi n GLN 407 Ca 0.00 0.00 0.11 0.00 -2.00 0.00 0.00 57.00 55.11 1fdi n GLN 407 Cb 0.05 -0.75 -0.14 0.00 -4.06 0.00 0.00 30.24 25.34 1fdi n GLN 407 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1fdi n THR 408 N -1.33 0.01 -1.35 1.69 -2.24 -0.57 -4.79 114.28 105.69 1fdi n THR 408 Ca 0.00 -0.29 -0.30 0.00 -2.27 0.00 0.00 64.05 61.19 1fdi n THR 408 Cb 0.25 0.40 0.11 0.00 -2.10 0.00 0.00 70.33 68.99 1fdi n THR 408 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1fdi s ASP 409 N -3.90 4.19 0.07 3.42 1.11 0.23 -5.01 116.67 116.78 1fdi s ASP 409 Ca -0.01 1.52 -0.21 0.00 0.18 0.00 0.00 52.55 54.03 1fdi s ASP 409 Cb 0.15 -2.24 -0.07 0.00 1.07 0.00 0.00 42.92 41.83 1fdi s ASP 409 CO 0.89 -2.19 0.63 0.00 1.18 0.00 0.00 175.17 175.67 1fdi s ALA 410 N -3.00 3.53 -0.95 5.23 0.00 -1.26 -4.10 121.76 121.20 1fdi s ALA 410 Ca 0.62 0.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.67 1fdi s ALA 410 Cb -0.16 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1fdi s ALA 410 CO 0.56 0.31 0.80 -1.91 0.00 0.00 0.00 175.76 175.52 1fdi n GLU 411 N 1.97 -5.36 -0.38 0.00 2.13 0.29 -4.61 120.64 114.66 1fdi n GLU 411 Ca -0.08 0.65 0.31 0.00 0.66 0.00 0.00 57.16 58.70 1fdi n GLU 411 Cb 0.50 -5.09 0.50 0.00 0.27 0.00 0.00 31.44 27.62 1fdi n GLU 411 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1fdi n LEU 412 N -3.55 0.09 -0.20 4.31 4.77 -1.26 0.13 117.00 121.30 1fdi n LEU 412 Ca -0.17 0.84 -0.02 0.00 -0.03 0.00 0.00 56.01 56.63 1fdi n LEU 412 Cb 0.61 -0.42 0.08 0.00 -2.33 0.00 0.00 43.42 41.37 1fdi n LEU 412 CO 0.48 -0.89 1.04 0.77 -1.33 0.00 0.00 177.39 177.46 1fdi h SER 413 N 0.00 0.41 -0.54 -1.43 4.64 -1.88 0.13 113.55 114.89 1fdi h SER 413 Ca 0.62 0.04 0.06 0.00 -0.47 0.00 0.00 61.79 62.03 1fdi h SER 413 Cb 2.18 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 64.18 1fdi h SER 413 CO -0.20 0.27 0.24 0.00 -0.87 0.00 0.00 176.83 176.27 1fdi h ALA 414 N 1.33 0.69 -0.31 5.18 0.00 0.82 -0.63 119.26 126.33 1fdi h ALA 414 Ca 0.27 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1fdi h ALA 414 Cb 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1fdi h ALA 414 CO -0.20 -0.13 0.18 0.28 0.00 0.00 0.00 179.25 179.38 1fdi h VAL 415 N 0.46 1.12 0.08 0.00 2.07 -1.36 0.45 116.25 119.08 1fdi h VAL 415 Ca 0.25 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1fdi h VAL 415 Cb 0.21 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1fdi h VAL 415 CO -0.21 0.12 -0.53 0.03 0.02 0.00 0.00 177.57 177.01 1fdi h ARG 416 N 0.39 -0.69 -0.63 1.57 3.08 0.10 -0.89 114.38 117.30 1fdi h ARG 416 Ca 0.11 0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.28 1fdi h ARG 416 Cb 0.04 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 1fdi h ARG 416 CO -0.02 -0.46 0.42 -0.22 -1.07 0.00 0.00 179.97 178.62 1fdi h LYS 417 N -0.72 0.57 -0.42 0.04 1.63 -0.98 -0.66 116.57 116.03 1fdi h LYS 417 Ca 0.00 -0.03 0.06 0.00 -0.85 0.00 0.00 60.65 59.82 1fdi h LYS 417 Cb 0.74 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 32.19 1fdi h LYS 417 CO -0.31 0.38 0.13 0.00 -3.45 0.00 0.00 179.45 176.19 1fdi h ALA 418 N 1.66 0.49 -0.64 5.00 0.00 0.43 0.44 119.26 126.64 1fdi h ALA 418 Ca 0.28 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1fdi h ALA 418 Cb 0.33 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1fdi h ALA 418 CO -0.08 -0.27 0.38 0.74 0.00 0.00 0.00 179.25 180.01 1fdi h PHE 419 N 0.28 0.84 0.00 0.00 -1.00 -0.17 0.03 116.94 116.91 1fdi h PHE 419 Ca 0.20 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.98 1fdi h PHE 419 Cb 0.21 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.49 1fdi h PHE 419 CO -0.17 0.57 -0.08 -1.91 -1.61 0.00 0.00 178.31 175.10 1fdi n GLU 420 N -4.40 0.10 -0.01 1.51 0.00 -0.42 -3.44 120.64 113.99 1fdi n GLU 420 Ca 0.06 0.08 0.10 0.00 0.00 0.00 0.00 57.16 57.40 1fdi n GLU 420 Cb 0.08 -1.61 -0.15 0.00 0.00 0.00 0.00 31.44 29.76 1fdi n GLU 420 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1fdi n ASP 421 N -1.79 0.44 -4.81 4.31 8.00 0.14 -4.98 116.55 117.86 1fdi n ASP 421 Ca 0.06 -0.25 -0.34 0.00 0.71 0.00 0.00 54.79 54.97 1fdi n ASP 421 Cb 0.38 1.70 -0.07 0.00 -0.02 0.00 0.00 41.12 43.11 1fdi n ASP 421 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1fdi s LEU 422 N -4.05 4.06 0.02 0.64 1.43 -0.39 -4.84 118.68 115.56 1fdi s LEU 422 Ca -0.04 1.69 -0.26 0.00 -1.03 0.00 0.00 54.13 54.50 1fdi s LEU 422 Cb 0.14 -4.35 -0.17 0.00 0.03 0.00 0.00 46.19 41.85 1fdi s LEU 422 CO 0.85 -0.26 1.28 -0.33 0.23 0.00 0.00 176.35 178.12 1fdi h GLU 423 N 2.30 -0.42 -3.95 1.70 5.08 -0.94 -3.45 114.58 114.91 1fdi h GLU 423 Ca -0.48 0.03 -0.40 0.00 -1.00 0.00 0.00 59.36 57.50 1fdi h GLU 423 Cb 1.18 0.10 -0.34 0.00 0.50 0.00 0.00 28.75 30.18 1fdi h GLU 423 CO 0.62 -0.11 -0.77 -1.17 -1.00 0.00 0.00 179.01 176.58 1fdi s LEU 424 N -9.57 1.23 -0.12 1.33 2.96 -1.00 -5.03 118.68 108.48 1fdi s LEU 424 Ca -0.14 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.69 1fdi s LEU 424 Cb 0.02 -0.42 0.00 0.00 0.50 0.00 0.00 46.19 46.30 1fdi s LEU 424 CO 0.55 -0.08 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.59 1fdi s VAL 425 N 1.04 2.11 -0.20 1.68 1.01 -1.26 -1.38 120.40 123.41 1fdi s VAL 425 Ca -0.09 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1fdi s VAL 425 Cb -0.14 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1fdi s VAL 425 CO -0.01 0.55 -0.18 -0.63 0.00 0.00 0.00 175.10 174.84 1fdi s ILE 426 N 0.53 2.07 -0.19 2.22 1.01 0.32 -0.52 121.20 126.64 1fdi s ILE 426 Ca -0.14 -1.09 -0.05 0.00 0.00 0.00 0.00 60.65 59.37 1fdi s ILE 426 Cb -0.17 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 1fdi s ILE 426 CO 0.05 0.41 0.01 -0.69 0.00 0.00 0.00 174.94 174.71 1fdi s VAL 427 N 1.25 4.10 -0.30 2.92 1.01 -0.95 0.92 120.40 129.34 1fdi s VAL 427 Ca 0.02 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1fdi s VAL 427 Cb -0.15 -2.84 0.08 0.00 0.00 0.00 0.00 36.38 33.47 1fdi s VAL 427 CO -0.11 0.44 -0.02 -1.58 0.00 0.00 0.00 175.10 173.83 1fdi s GLN 428 N 0.80 1.99 0.00 2.72 0.74 0.48 -1.89 119.66 124.50 1fdi s GLN 428 Ca 0.01 -1.55 0.00 0.00 0.05 0.00 0.00 55.36 53.87 1fdi s GLN 428 Cb -0.14 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.88 1fdi s GLN 428 CO 0.02 -0.74 0.00 -3.47 -0.55 0.00 0.00 175.29 170.55 1fdi n ASP 429 N 4.41 0.44 0.00 6.67 -0.08 -1.17 -0.28 116.55 126.54 1fdi n ASP 429 Ca -0.07 -0.39 0.00 0.00 -1.51 0.00 0.00 54.79 52.82 1fdi n ASP 429 Cb 0.42 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.88 1fdi n ASP 429 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1fdi n ILE 430 N 0.00 0.00 -3.86 5.18 5.41 -1.26 -2.12 119.36 122.71 1fdi n ILE 430 Ca 0.00 -0.22 -0.12 0.00 1.00 0.00 0.00 62.75 63.42 1fdi n ILE 430 Cb 0.00 1.23 -0.11 0.00 -0.71 0.00 0.00 39.64 40.05 1fdi n ILE 430 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1fdi s PHE 431 N -0.25 -0.03 -1.12 1.39 0.08 -1.26 -2.83 117.98 113.96 1fdi s PHE 431 Ca 0.00 0.07 -0.21 0.00 0.12 0.00 0.00 56.93 56.91 1fdi s PHE 431 Cb 0.00 -0.01 -0.06 0.00 -0.57 0.00 0.00 43.02 42.37 1fdi s PHE 431 CO 0.00 -0.17 1.93 -0.12 -0.10 0.00 0.00 175.22 176.76 1fdi n MET 432 N 2.24 2.02 -1.65 0.44 0.00 -1.13 -4.80 117.12 114.24 1fdi n MET 432 Ca -0.18 -2.46 -0.31 0.00 -0.00 0.00 0.00 57.70 54.76 1fdi n MET 432 Cb 0.57 -3.39 0.04 0.00 0.00 0.00 0.00 33.22 30.44 1fdi n MET 432 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1fdi s THR 433 N 7.04 4.17 0.41 1.12 -4.23 -1.26 -4.80 115.64 118.09 1fdi s THR 433 Ca 0.60 0.70 0.25 0.00 -1.18 0.00 0.00 61.69 62.06 1fdi s THR 433 Cb 0.06 -3.51 0.44 0.00 1.34 0.00 0.00 72.50 70.83 1fdi s THR 433 CO 0.09 -0.92 1.66 0.11 -0.54 0.00 0.00 174.62 175.02 1fdi h LYS 434 N -0.63 0.18 -0.02 3.99 1.57 -1.95 0.32 116.57 120.03 1fdi h LYS 434 Ca -0.44 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.29 1fdi h LYS 434 Cb 1.21 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1fdi h LYS 434 CO 0.58 0.12 -0.15 1.15 -0.57 0.00 0.00 179.45 180.58 1fdi h THR 435 N 0.18 1.51 -0.25 -0.16 2.02 -1.91 -3.20 112.91 111.10 1fdi h THR 435 Ca 0.76 -1.71 0.07 0.00 0.77 0.00 0.00 66.41 66.30 1fdi h THR 435 Cb 2.20 2.56 -0.01 0.00 -1.74 0.00 0.00 68.15 71.16 1fdi h THR 435 CO -0.43 0.47 0.19 0.00 0.37 0.00 0.00 175.52 176.11 1fdi h ALA 436 N 0.34 2.20 0.00 6.16 0.00 -0.74 -0.26 119.26 126.97 1fdi h ALA 436 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1fdi h ALA 436 Cb 0.84 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1fdi h ALA 436 CO 0.03 -0.32 -0.05 0.66 0.00 0.00 0.00 179.25 179.58 1fdi h SER 437 N 0.00 0.00 -0.63 0.00 4.64 -1.17 -1.53 113.55 114.85 1fdi h SER 437 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1fdi h SER 437 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1fdi h SER 437 CO -0.00 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 1fdi n ALA 438 N -2.12 3.18 -1.77 5.18 0.00 -0.12 -4.98 120.51 119.88 1fdi n ALA 438 Ca 0.01 -1.66 -0.33 0.00 0.00 0.00 0.00 53.44 51.46 1fdi n ALA 438 Cb 0.36 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 1fdi n ALA 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fdi s ALA 439 N -1.98 2.92 -0.06 0.00 0.00 -0.58 -4.96 121.76 117.10 1fdi s ALA 439 Ca 0.52 0.34 -0.15 0.00 0.00 0.00 0.00 51.96 52.67 1fdi s ALA 439 Cb 0.34 -3.18 -0.30 0.00 0.00 0.00 0.00 23.12 19.98 1fdi s ALA 439 CO 0.23 -0.41 0.68 -0.44 0.00 0.00 0.00 175.76 175.82 1fdi h ASP 440 N 0.94 0.52 -3.39 0.00 3.32 -1.12 -3.42 116.42 113.27 1fdi h ASP 440 Ca -0.47 -0.90 -0.30 0.00 0.02 0.00 0.00 57.03 55.37 1fdi h ASP 440 Cb 1.20 -0.17 -0.35 0.00 0.22 0.00 0.00 39.33 40.23 1fdi h ASP 440 CO 0.60 1.66 -0.69 0.54 -1.72 0.00 0.00 179.24 179.63 1fdi s VAL 441 N -2.52 -0.10 0.02 -1.35 0.11 -1.07 0.62 120.40 116.11 1fdi s VAL 441 Ca -0.17 0.28 0.02 0.00 -2.93 0.00 0.00 61.98 59.18 1fdi s VAL 441 Cb 0.04 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.69 1fdi s VAL 441 CO 0.82 0.12 0.03 -0.63 -3.33 0.00 0.00 175.10 172.11 1fdi s ILE 442 N 1.52 4.35 -0.16 7.04 1.01 -0.27 -2.24 121.20 132.45 1fdi s ILE 442 Ca -0.04 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 1fdi s ILE 442 Cb -0.12 -2.99 0.06 0.00 0.01 0.00 0.00 42.46 39.41 1fdi s ILE 442 CO -0.04 0.31 0.07 -0.76 0.00 0.00 0.00 174.94 174.51 1fdi s LEU 443 N -1.80 0.60 0.27 2.97 1.43 -0.79 -1.39 118.68 119.97 1fdi s LEU 443 Ca 0.22 -0.60 -0.29 0.00 -1.03 0.00 0.00 54.13 52.43 1fdi s LEU 443 Cb -0.12 -0.35 -0.09 0.00 0.03 0.00 0.00 46.19 45.66 1fdi s LEU 443 CO 0.14 -0.32 0.98 -2.16 0.23 0.00 0.00 176.35 175.22 1fdi s PRO 444 N 2.05 4.72 0.44 1.29 0.04 -1.26 -3.06 135.00 139.22 1fdi s PRO 444 Ca 0.01 1.52 0.03 0.00 0.04 0.00 0.00 61.00 62.61 1fdi s PRO 444 Cb -0.16 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 1fdi s PRO 444 CO -0.08 0.37 0.08 -1.54 0.04 0.00 0.00 177.00 175.87 1fdi s SER 445 N -1.23 3.26 0.08 6.66 1.04 -0.90 -3.97 113.70 118.64 1fdi s SER 445 Ca 0.45 -1.66 -0.29 0.00 0.48 0.00 0.00 55.95 54.93 1fdi s SER 445 Cb -0.25 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 1fdi s SER 445 CO 0.32 -0.90 0.92 0.42 0.98 0.00 0.00 173.24 174.98 1fdi s THR 446 N -3.09 4.62 1.13 2.02 -4.23 -0.96 -4.74 115.64 110.39 1fdi s THR 446 Ca 0.18 1.96 -0.15 0.00 -1.18 0.00 0.00 61.69 62.50 1fdi s THR 446 Cb 0.02 -4.27 0.25 0.00 1.34 0.00 0.00 72.50 69.85 1fdi s THR 446 CO 0.11 0.30 1.07 -0.55 -0.54 0.00 0.00 174.62 175.01 1fdi s SER 447 N 0.15 1.46 0.33 3.99 0.15 -1.26 -4.85 113.70 113.68 1fdi s SER 447 Ca 0.46 1.07 0.03 0.00 0.70 0.00 0.00 55.95 58.21 1fdi s SER 447 Cb -0.22 -1.64 0.64 0.00 -1.71 0.00 0.00 66.02 63.09 1fdi s SER 447 CO 0.28 -3.84 1.92 -0.25 1.20 0.00 0.00 173.24 172.55 1fdi h TRP 448 N -2.38 0.93 0.00 3.44 7.01 -1.91 -1.37 115.95 121.67 1fdi h TRP 448 Ca -0.53 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.49 1fdi h TRP 448 Cb 1.33 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 28.08 1fdi h TRP 448 CO -0.61 0.46 0.00 0.41 -2.79 0.00 0.00 178.44 175.92 1fdi n GLY 449 N -1.42 -1.61 0.72 2.65 0.00 -1.26 -3.60 105.19 100.67 1fdi n GLY 449 Ca 0.13 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1fdi n GLY 449 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fdi n GLU 450 N -1.99 1.94 -3.84 1.61 1.02 -0.52 -1.72 120.64 117.15 1fdi n GLU 450 Ca 0.06 -1.43 -0.09 0.00 -0.02 0.00 0.00 57.16 55.68 1fdi n GLU 450 Cb 0.39 -1.42 0.01 0.00 -0.02 0.00 0.00 31.44 30.40 1fdi n GLU 450 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1fdi s HIS 451 N -1.69 0.19 0.16 -0.32 -3.43 -1.22 -4.74 115.29 104.23 1fdi s HIS 451 Ca 0.33 -0.80 0.02 0.00 -0.80 0.00 0.00 55.06 53.81 1fdi s HIS 451 Cb 0.18 0.73 -0.01 0.00 -1.43 0.00 0.00 32.58 32.05 1fdi s HIS 451 CO 0.27 -1.49 0.07 -0.85 -2.00 0.00 0.00 174.74 170.74 1fdi n GLU 452 N -0.53 0.69 -1.19 -0.38 0.28 -1.26 -3.85 120.64 114.41 1fdi n GLU 452 Ca -0.07 -1.39 0.00 0.00 -0.16 0.00 0.00 57.16 55.54 1fdi n GLU 452 Cb 0.60 0.82 0.00 0.00 1.43 0.00 0.00 31.44 34.29 1fdi n GLU 452 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1fdi n GLY 453 N 0.85 0.13 3.28 -1.84 0.00 -0.83 -4.89 105.19 101.89 1fdi n GLY 453 Ca -0.01 -1.33 -0.20 0.00 0.00 0.00 0.00 46.02 44.48 1fdi n GLY 453 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fdi s VAL 454 N -3.45 1.53 0.03 1.61 1.01 -1.26 -1.07 120.40 118.80 1fdi s VAL 454 Ca 0.00 -1.79 0.01 0.00 0.00 0.00 0.00 61.98 60.20 1fdi s VAL 454 Cb 0.00 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 1fdi s VAL 454 CO 0.00 -0.36 -0.05 -0.36 0.00 0.00 0.00 175.10 174.32 1fdi s PHE 455 N -2.07 0.46 -0.29 5.22 0.08 -0.27 -0.24 117.98 120.87 1fdi s PHE 455 Ca 0.11 -0.52 -0.07 0.00 0.12 0.00 0.00 56.93 56.57 1fdi s PHE 455 Cb -0.05 -0.29 -0.00 0.00 -0.57 0.00 0.00 43.02 42.10 1fdi s PHE 455 CO 0.04 -0.14 0.09 0.99 -0.10 0.00 0.00 175.22 176.10 1fdi s THR 456 N -1.44 4.14 1.25 0.64 2.01 -1.26 -1.73 115.64 119.25 1fdi s THR 456 Ca -0.13 -0.55 -0.17 0.00 0.31 0.00 0.00 61.69 61.15 1fdi s THR 456 Cb -0.10 -3.09 0.28 0.00 0.01 0.00 0.00 72.50 69.60 1fdi s THR 456 CO -0.00 0.13 0.73 0.00 -0.69 0.00 0.00 174.62 174.78 1fdi n ALA 457 N 4.90 -3.69 -0.07 7.40 0.00 0.47 -4.23 120.51 125.29 1fdi n ALA 457 Ca -0.15 -1.44 0.19 0.00 0.00 0.00 0.00 53.44 52.04 1fdi n ALA 457 Cb 0.49 -1.70 0.62 0.00 0.00 0.00 0.00 19.45 18.86 1fdi n ALA 457 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fdi h ALA 458 N -2.89 2.36 -1.00 0.00 0.00 -0.97 -2.93 119.26 113.83 1fdi h ALA 458 Ca -0.52 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 53.67 1fdi h ALA 458 Cb 1.29 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.80 1fdi h ALA 458 CO 0.38 -0.53 0.86 -0.40 0.00 0.00 0.00 179.25 179.56 1fdi n ASP 459 N -4.41 7.51 0.00 0.00 5.68 -1.26 -4.37 116.55 119.70 1fdi n ASP 459 Ca 0.12 -3.80 0.00 0.00 -0.50 0.00 0.00 54.79 50.60 1fdi n ASP 459 Cb 0.59 -0.98 0.00 0.00 -1.14 0.00 0.00 41.12 39.59 1fdi n ASP 459 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1fdi n ARG 460 N -0.78 -1.24 -2.76 0.11 1.74 -1.11 -4.83 116.66 107.79 1fdi n ARG 460 Ca 0.59 0.31 -0.43 0.00 -0.77 0.00 0.00 57.85 57.55 1fdi n ARG 460 Cb 0.52 -4.31 -0.04 0.00 -1.02 0.00 0.00 32.46 27.62 1fdi n ARG 460 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1fdi s GLY 461 N -2.00 1.37 0.31 -0.13 0.00 -1.25 -1.54 107.32 104.08 1fdi s GLY 461 Ca 0.00 -0.93 -0.29 0.00 0.00 0.00 0.00 44.72 43.50 1fdi s GLY 461 CO 0.00 2.16 1.21 -1.36 0.00 0.00 0.00 173.10 175.11 1fdi s PHE 462 N 4.10 3.29 -0.09 1.90 0.08 0.49 -0.39 117.98 127.36 1fdi s PHE 462 Ca 0.37 1.55 -0.15 0.00 0.12 0.00 0.00 56.93 58.82 1fdi s PHE 462 Cb -0.10 -3.50 0.03 0.00 -0.57 0.00 0.00 43.02 38.89 1fdi s PHE 462 CO 0.24 -1.25 0.38 -0.65 -0.10 0.00 0.00 175.22 173.84 1fdi s GLN 463 N -1.64 0.57 0.17 0.44 -0.21 -0.71 -0.52 119.66 117.77 1fdi s GLN 463 Ca 0.47 0.26 -0.13 0.00 0.02 0.00 0.00 55.36 55.98 1fdi s GLN 463 Cb -0.36 0.26 -0.07 0.00 1.00 0.00 0.00 33.01 33.84 1fdi s GLN 463 CO 0.47 -0.12 0.55 1.03 -2.12 0.00 0.00 175.29 175.11 1fdi s ARG 464 N -0.43 3.93 -0.06 2.91 0.52 -1.26 -1.11 118.95 123.45 1fdi s ARG 464 Ca -0.06 0.44 0.01 0.00 -0.52 0.00 0.00 55.73 55.60 1fdi s ARG 464 Cb -0.03 -2.84 0.02 0.00 0.52 0.00 0.00 34.95 32.61 1fdi s ARG 464 CO 0.02 0.43 -0.06 -0.59 0.02 0.00 0.00 175.30 175.12 1fdi s PHE 465 N -1.57 0.99 0.16 -0.53 -0.12 -0.24 -4.47 117.98 112.21 1fdi s PHE 465 Ca 0.41 -0.34 0.04 0.00 -0.05 0.00 0.00 56.93 56.98 1fdi s PHE 465 Cb -0.14 -0.84 -0.04 0.00 -0.63 0.00 0.00 43.02 41.38 1fdi s PHE 465 CO 0.20 -0.26 0.22 -0.06 -0.05 0.00 0.00 175.22 175.26 1fdi s PHE 466 N 1.05 3.33 0.05 3.49 0.40 -0.93 -1.97 117.98 123.40 1fdi s PHE 466 Ca -0.09 0.05 -0.31 0.00 -0.60 0.00 0.00 56.93 55.99 1fdi s PHE 466 Cb -0.14 -1.59 -0.06 0.00 0.51 0.00 0.00 43.02 41.74 1fdi s PHE 466 CO -0.00 0.52 1.25 0.21 0.70 0.00 0.00 175.22 177.89 1fdi s LYS 467 N -3.19 4.39 -0.07 0.44 2.20 -1.25 -4.72 119.74 117.53 1fdi s LYS 467 Ca 0.33 1.83 0.12 0.00 -0.36 0.00 0.00 55.97 57.89 1fdi s LYS 467 Cb -0.11 -3.37 -0.17 0.00 -1.51 0.00 0.00 37.83 32.67 1fdi s LYS 467 CO 0.26 -0.34 0.16 0.00 -0.36 0.00 0.00 175.35 175.07 1fdi n ALA 468 N 4.19 2.08 -2.32 3.13 0.00 -0.70 -4.98 120.51 121.91 1fdi n ALA 468 Ca 0.10 -0.56 -0.08 0.00 0.00 0.00 0.00 53.44 52.90 1fdi n ALA 468 Cb 0.45 -0.22 -0.09 0.00 0.00 0.00 0.00 19.45 19.60 1fdi n ALA 468 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fdi s VAL 469 N -2.59 0.17 0.15 0.00 0.11 -0.75 -4.94 120.40 112.55 1fdi s VAL 469 Ca -0.05 -1.52 -0.09 0.00 -2.93 0.00 0.00 61.98 57.38 1fdi s VAL 469 Cb 0.06 -1.49 -0.06 0.00 -1.53 0.00 0.00 36.38 33.36 1fdi s VAL 469 CO 0.52 -0.78 0.46 -1.61 -3.33 0.00 0.00 175.10 170.35 1fdi s GLU 470 N -3.90 3.77 0.62 1.54 0.41 -1.26 -4.27 118.70 115.61 1fdi s GLU 470 Ca 0.08 0.19 -0.16 0.00 -0.41 0.00 0.00 54.97 54.67 1fdi s GLU 470 Cb 0.06 -2.85 -0.02 0.00 -1.78 0.00 0.00 34.13 29.54 1fdi s GLU 470 CO -0.09 0.46 1.09 -1.25 -0.49 0.00 0.00 175.26 174.97 1fdi s PRO 471 N -2.35 3.06 0.00 0.39 0.04 -1.26 -4.92 135.00 129.96 1fdi s PRO 471 Ca 0.40 1.33 0.28 0.00 0.04 0.00 0.00 61.00 63.04 1fdi s PRO 471 Cb -0.13 -1.99 1.04 0.00 0.04 0.00 0.00 34.50 33.46 1fdi s PRO 471 CO 0.21 -1.03 1.74 1.63 0.04 0.00 0.00 177.00 179.58 1fdi n LYS 472 N -2.17 1.36 -4.36 4.56 4.76 -1.26 -4.92 118.16 116.13 1fdi n LYS 472 Ca 0.10 -0.75 -0.21 0.00 -2.87 0.00 0.00 58.31 54.58 1fdi n LYS 472 Cb 0.52 -1.48 -0.08 0.00 -1.84 0.00 0.00 35.03 32.14 1fdi n LYS 472 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1fdi s TRP 473 N -2.16 1.70 -0.96 2.13 0.51 -1.26 -5.07 118.94 113.83 1fdi s TRP 473 Ca 0.35 -1.49 -0.24 0.00 -2.12 0.00 0.00 56.10 52.60 1fdi s TRP 473 Cb 0.21 -0.86 0.02 0.00 -0.81 0.00 0.00 33.47 32.03 1fdi s TRP 473 CO 0.39 -0.64 1.60 0.34 -0.51 0.00 0.00 176.95 178.14 1fdi s ASP 474 N -3.43 6.05 -0.04 2.95 2.15 -1.26 -4.93 116.67 118.16 1fdi s ASP 474 Ca 0.35 -1.14 0.04 0.00 0.43 0.00 0.00 52.55 52.23 1fdi s ASP 474 Cb 0.03 -2.57 -0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1fdi s ASP 474 CO 0.21 -1.91 -0.17 -0.76 -0.17 0.00 0.00 175.17 172.37 1fdi s LEU 475 N 6.62 1.92 0.24 -1.34 1.43 -1.26 -4.89 118.68 121.40 1fdi s LEU 475 Ca 0.53 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 53.31 1fdi s LEU 475 Cb -0.03 -0.98 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 1fdi s LEU 475 CO -0.06 0.15 0.38 -0.54 0.23 0.00 0.00 176.35 176.51 1fdi s LYS 476 N 0.05 3.45 0.83 1.70 1.02 -1.25 -4.79 119.74 120.75 1fdi s LYS 476 Ca -0.04 -0.67 -0.11 0.00 0.02 0.00 0.00 55.97 55.17 1fdi s LYS 476 Cb -0.12 -2.87 0.09 0.00 -0.52 0.00 0.00 37.83 34.42 1fdi s LYS 476 CO 0.02 0.40 1.09 0.95 -0.92 0.00 0.00 175.35 176.90 1fdi s THR 477 N -1.99 2.98 0.37 2.17 -4.23 -1.26 -2.25 115.64 111.42 1fdi s THR 477 Ca 0.35 0.32 0.04 0.00 -1.18 0.00 0.00 61.69 61.22 1fdi s THR 477 Cb -0.09 -2.92 0.27 0.00 1.34 0.00 0.00 72.50 71.09 1fdi s THR 477 CO 0.30 -0.42 2.02 0.44 -0.54 0.00 0.00 174.62 176.43 1fdi h ASP 478 N -1.27 0.66 0.49 3.99 3.32 -1.94 -1.43 116.42 120.24 1fdi h ASP 478 Ca -0.47 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1fdi h ASP 478 Cb 1.27 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1fdi h ASP 478 CO 0.56 0.47 0.00 -2.67 -1.72 0.00 0.00 179.24 175.88 1fdi n TRP 479 N -4.45 0.00 -0.05 4.55 4.27 -1.26 -2.34 117.44 118.15 1fdi n TRP 479 Ca 0.06 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.53 1fdi n TRP 479 Cb 0.06 -0.31 -0.14 0.00 -1.36 0.00 0.00 31.31 29.56 1fdi n TRP 479 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1fdi n GLN 480 N -1.31 0.68 0.22 -2.67 6.02 -0.57 -2.72 117.38 117.04 1fdi n GLN 480 Ca 0.11 0.20 -0.14 0.00 -0.01 0.00 0.00 57.00 57.15 1fdi n GLN 480 Cb 0.20 -1.66 -0.08 0.00 1.02 0.00 0.00 30.24 29.72 1fdi n GLN 480 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1fdi h ILE 481 N 0.02 0.55 0.03 5.09 2.04 -1.29 -1.10 117.51 122.86 1fdi h ILE 481 Ca -0.43 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.07 1fdi h ILE 481 Cb 2.05 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.82 1fdi h ILE 481 CO 0.04 0.07 -0.27 0.40 0.00 0.00 0.00 178.15 178.39 1fdi h ILE 482 N -0.80 0.39 -0.86 -0.67 2.04 -1.64 -1.72 117.51 114.25 1fdi h ILE 482 Ca -0.06 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.00 1fdi h ILE 482 Cb 0.54 0.39 -0.12 0.00 -0.74 0.00 0.00 36.82 36.90 1fdi h ILE 482 CO 0.09 0.00 0.37 0.28 0.00 0.00 0.00 178.15 178.89 1fdi h SER 483 N -0.43 0.33 0.32 1.72 0.02 -1.50 0.02 113.55 114.02 1fdi h SER 483 Ca 0.05 0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 1fdi h SER 483 Cb 0.50 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1fdi h SER 483 CO -0.21 0.04 -0.40 -0.08 -1.14 0.00 0.00 176.83 175.04 1fdi h GLU 484 N 0.43 0.11 0.11 3.45 4.81 -0.34 -0.49 114.58 122.65 1fdi h GLU 484 Ca 0.52 -0.05 -0.28 0.00 -0.13 0.00 0.00 59.36 59.43 1fdi h GLU 484 Cb 0.93 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.32 1fdi h GLU 484 CO -0.49 0.50 -1.19 0.82 -0.73 0.00 0.00 179.01 177.92 1fdi h ILE 485 N 0.09 1.39 0.43 2.32 2.04 -0.53 -2.26 117.51 121.00 1fdi h ILE 485 Ca 0.01 -2.69 -0.01 0.00 1.00 0.00 0.00 64.86 63.17 1fdi h ILE 485 Cb 0.75 2.74 -0.02 0.00 -0.74 0.00 0.00 36.82 39.56 1fdi h ILE 485 CO 0.06 0.80 -0.37 0.00 0.00 0.00 0.00 178.15 178.64 1fdi h ALA 486 N 0.50 -0.84 -0.73 1.87 0.00 -0.66 0.18 119.26 119.58 1fdi h ALA 486 Ca -0.15 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.74 1fdi h ALA 486 Cb 1.87 0.51 -0.09 0.00 0.00 0.00 0.00 17.79 20.09 1fdi h ALA 486 CO 0.21 -1.00 0.31 1.15 0.00 0.00 0.00 179.25 179.91 1fdi h THR 487 N -0.81 0.72 0.00 0.00 2.02 0.63 0.41 112.91 115.88 1fdi h THR 487 Ca -0.04 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1fdi h THR 487 Cb 0.70 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1fdi h THR 487 CO -0.03 0.09 -0.03 0.03 0.37 0.00 0.00 175.52 175.95 1fdi h ARG 488 N 0.48 0.00 -0.37 6.66 3.08 -0.76 0.11 114.38 123.58 1fdi h ARG 488 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 1fdi h ARG 488 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1fdi h ARG 488 CO -0.36 0.03 0.00 -1.33 -1.07 0.00 0.00 179.97 177.25 1fdi n MET 489 N -3.17 1.79 0.00 0.04 2.81 0.14 -4.89 117.12 113.84 1fdi n MET 489 Ca -0.00 -1.05 0.00 0.00 -1.81 0.00 0.00 57.70 54.84 1fdi n MET 489 Cb 0.27 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1fdi n MET 489 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1fdi n GLY 490 N 0.84 3.23 3.55 3.03 0.00 0.38 -5.00 105.19 111.22 1fdi n GLY 490 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1fdi n GLY 490 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1fdi s TYR 491 N -2.06 3.13 -0.20 1.61 6.14 -0.80 -4.93 117.35 120.25 1fdi s TYR 491 Ca 0.00 0.18 -0.29 0.00 0.64 0.00 0.00 57.07 57.60 1fdi s TYR 491 Cb 0.00 -3.18 -0.04 0.00 0.42 0.00 0.00 41.96 39.16 1fdi s TYR 491 CO 0.00 -0.70 1.95 -1.25 0.64 0.00 0.00 175.55 176.19 1fdi s PRO 492 N 2.69 3.50 -0.12 4.97 0.04 -1.26 -0.95 135.00 143.87 1fdi s PRO 492 Ca 0.23 1.93 -0.06 0.00 0.04 0.00 0.00 61.00 63.14 1fdi s PRO 492 Cb -0.14 -4.22 0.05 0.00 0.04 0.00 0.00 34.50 30.22 1fdi s PRO 492 CO 0.16 -1.67 0.28 1.41 0.04 0.00 0.00 177.00 177.22 1fdi s MET 493 N 5.49 0.24 -0.27 4.56 1.75 -1.26 -4.93 119.30 124.87 1fdi s MET 493 Ca 0.88 0.62 -0.15 0.00 -1.25 0.00 0.00 55.69 55.78 1fdi s MET 493 Cb -0.31 -0.08 0.08 0.00 2.84 0.00 0.00 34.83 37.36 1fdi s MET 493 CO 0.35 -0.18 0.67 -1.58 -0.65 0.00 0.00 175.02 173.62 1fdi s HIS 494 N 1.46 -1.07 -0.09 4.11 5.65 -1.26 -4.41 115.29 119.68 1fdi s HIS 494 Ca -0.08 2.10 0.04 0.00 0.25 0.00 0.00 55.06 57.38 1fdi s HIS 494 Cb -0.10 0.63 -0.00 0.00 -1.18 0.00 0.00 32.58 31.93 1fdi s HIS 494 CO -0.09 -0.53 -0.24 0.71 -0.65 0.00 0.00 174.74 173.94 1fdi s TYR 495 N 1.78 2.49 0.30 3.88 2.02 -1.26 -5.02 117.35 121.54 1fdi s TYR 495 Ca -0.09 -0.98 0.14 0.00 -0.37 0.00 0.00 57.07 55.77 1fdi s TYR 495 Cb -0.06 -1.66 0.67 0.00 -0.40 0.00 0.00 41.96 40.50 1fdi s TYR 495 CO -0.19 -0.39 1.77 -0.91 -1.57 0.00 0.00 175.55 174.26 1fdi h ASN 496 N 6.64 0.00 -4.66 2.29 2.35 -2.01 -3.47 115.58 116.72 1fdi h ASN 496 Ca -0.21 0.00 0.20 0.00 -0.55 0.00 0.00 56.30 55.74 1fdi h ASN 496 Cb 1.23 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.44 1fdi h ASN 496 CO 0.47 0.42 0.66 0.54 -1.65 0.00 0.00 177.43 177.87 1fdi s ASN 497 N -6.74 -0.22 0.40 5.81 4.22 -1.26 -5.05 114.94 112.09 1fdi s ASN 497 Ca -0.02 -0.05 0.14 0.00 -2.14 0.00 0.00 52.86 50.79 1fdi s ASN 497 Cb 0.13 0.27 0.99 0.00 1.28 0.00 0.00 41.25 43.93 1fdi s ASN 497 CO 0.72 -0.45 1.88 0.71 -2.04 0.00 0.00 177.10 177.91 1fdi h THR 498 N 2.00 0.76 -0.40 0.54 1.35 -1.91 -2.29 112.91 112.97 1fdi h THR 498 Ca -0.18 -0.17 0.05 0.00 -0.55 0.00 0.00 66.41 65.56 1fdi h THR 498 Cb 1.21 0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 67.83 1fdi h THR 498 CO 0.27 0.09 0.27 -0.61 -0.25 0.00 0.00 175.52 175.29 1fdi h GLN 499 N 0.49 0.34 -0.85 4.72 4.15 -1.97 -0.40 115.11 121.61 1fdi h GLN 499 Ca 0.43 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.82 1fdi h GLN 499 Cb 0.93 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.50 1fdi h GLN 499 CO -0.17 0.23 0.47 0.93 -1.93 0.00 0.00 178.83 178.36 1fdi h GLU 500 N 0.35 1.17 -0.09 1.69 5.08 -1.83 -0.33 114.58 120.63 1fdi h GLU 500 Ca 0.17 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1fdi h GLU 500 Cb 0.23 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1fdi h GLU 500 CO -0.04 0.85 -0.00 0.82 -1.00 0.00 0.00 179.01 179.64 1fdi h ILE 501 N 1.17 1.25 -0.39 3.13 2.04 -1.23 -2.85 117.51 120.63 1fdi h ILE 501 Ca 0.30 -0.79 0.11 0.00 1.00 0.00 0.00 64.86 65.47 1fdi h ILE 501 Cb 0.01 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1fdi h ILE 501 CO -0.05 0.22 0.28 -0.25 0.00 0.00 0.00 178.15 178.35 1fdi h TRP 502 N -0.13 0.03 0.00 1.37 2.91 -0.61 -2.02 115.95 117.50 1fdi h TRP 502 Ca 0.02 0.00 -0.22 0.00 1.13 0.00 0.00 58.89 59.82 1fdi h TRP 502 Cb 0.35 -0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 28.95 1fdi h TRP 502 CO 0.03 0.02 -1.22 -0.44 -1.03 0.00 0.00 178.44 175.80 1fdi h ASP 503 N 0.03 0.00 -0.18 2.65 3.32 -0.86 -1.04 116.42 120.33 1fdi h ASP 503 Ca 0.19 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1fdi h ASP 503 Cb 0.71 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1fdi h ASP 503 CO -0.01 0.90 -0.02 -0.08 -1.72 0.00 0.00 179.24 178.31 1fdi h GLU 504 N 0.00 0.33 0.09 3.56 4.81 -1.26 -2.07 114.58 120.04 1fdi h GLU 504 Ca -0.12 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1fdi h GLU 504 Cb 1.79 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 31.10 1fdi h GLU 504 CO 0.10 0.57 -0.29 1.25 -0.73 0.00 0.00 179.01 179.90 1fdi h LEU 505 N 0.06 -0.83 -1.54 1.64 7.12 -1.43 -1.28 115.31 119.04 1fdi h LEU 505 Ca 0.05 0.10 0.08 0.00 0.13 0.00 0.00 57.88 58.23 1fdi h LEU 505 Cb 0.43 0.32 -0.04 0.00 -0.53 0.00 0.00 40.66 40.84 1fdi h LEU 505 CO 0.01 -0.37 0.41 0.03 -0.13 0.00 0.00 178.44 178.39 1fdi h ARG 506 N -0.48 0.53 0.00 1.25 3.08 -0.99 -0.10 114.38 117.67 1fdi h ARG 506 Ca 0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1fdi h ARG 506 Cb 0.53 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1fdi h ARG 506 CO -0.19 0.35 0.00 0.45 -1.07 0.00 0.00 179.97 179.51 1fdi h HIS 507 N 0.54 0.00 0.00 3.04 3.86 -0.54 -3.07 115.15 118.97 1fdi h HIS 507 Ca 0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 1fdi h HIS 507 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1fdi h HIS 507 CO -0.00 0.00 -1.22 1.28 0.86 0.00 0.00 177.93 178.85 1fdi n LEU 508 N -2.87 0.59 -3.82 2.43 4.77 -0.18 -4.81 117.00 113.11 1fdi n LEU 508 Ca 0.03 -0.14 -0.30 0.00 -0.03 0.00 0.00 56.01 55.57 1fdi n LEU 508 Cb 0.42 -0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.31 1fdi n LEU 508 CO 0.30 0.09 -0.28 0.00 -1.33 0.00 0.00 177.39 176.17 1fdi h PRO 510 N 7.30 0.00 0.00 0.00 0.11 -1.87 0.15 132.00 137.68 1fdi h PRO 510 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1fdi h PRO 510 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1fdi h PRO 510 CO 0.52 0.00 -0.98 -0.25 -0.21 0.00 0.00 178.00 177.08 1fdi n ASP 511 N -2.80 0.68 -0.07 -2.05 8.00 -1.26 -4.13 116.55 114.93 1fdi n ASP 511 Ca 0.03 0.10 0.08 0.00 0.71 0.00 0.00 54.79 55.70 1fdi n ASP 511 Cb 0.83 0.58 -0.08 0.00 -0.02 0.00 0.00 41.12 42.44 1fdi n ASP 511 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1fdi n PHE 512 N -2.30 0.00 -0.18 1.24 3.72 0.47 0.34 117.46 120.75 1fdi n PHE 512 Ca 0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.40 1fdi n PHE 512 Cb 0.49 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.12 1fdi n PHE 512 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1fdi h TYR 513 N 0.32 0.23 0.00 1.38 3.20 -1.43 -2.15 116.97 118.52 1fdi h TYR 513 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1fdi h TYR 513 Cb 0.41 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1fdi h TYR 513 CO 0.00 0.01 0.00 0.41 -1.64 0.00 0.00 178.16 176.94 1fdi n GLY 514 N -1.30 -1.01 2.75 1.82 0.00 0.69 -4.18 105.19 103.97 1fdi n GLY 514 Ca 0.08 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1fdi n GLY 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fdi n ALA 515 N -1.42 5.72 -1.55 4.61 0.00 -0.81 -4.40 120.51 122.65 1fdi n ALA 515 Ca 0.06 -4.14 -0.31 0.00 0.00 0.00 0.00 53.44 49.05 1fdi n ALA 515 Cb 0.18 -3.12 0.07 0.00 0.00 0.00 0.00 19.45 16.58 1fdi n ALA 515 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1fdi s THR 516 N 0.99 3.65 0.14 0.00 -4.23 -1.26 -4.83 115.64 110.10 1fdi s THR 516 Ca 0.45 0.54 -0.18 0.00 -1.18 0.00 0.00 61.69 61.31 1fdi s THR 516 Cb 0.12 -3.27 -0.03 0.00 1.34 0.00 0.00 72.50 70.67 1fdi s THR 516 CO -0.03 -0.70 1.78 1.88 -0.54 0.00 0.00 174.62 177.00 1fdi h TYR 517 N -0.87 0.29 -0.68 3.99 -1.99 -1.97 0.73 116.97 116.48 1fdi h TYR 517 Ca -0.45 0.01 0.12 0.00 2.00 0.00 0.00 58.73 60.41 1fdi h TYR 517 Cb 1.23 -0.09 -0.08 0.00 2.00 0.00 0.00 36.73 39.79 1fdi h TYR 517 CO 0.56 0.17 0.24 1.49 -0.00 0.00 0.00 178.16 180.62 1fdi h GLU 518 N 0.32 0.39 -0.23 4.88 4.81 -1.96 0.39 114.58 123.19 1fdi h GLU 518 Ca 0.11 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1fdi h GLU 518 Cb 0.01 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1fdi h GLU 518 CO -0.06 0.26 0.00 -0.22 -0.73 0.00 0.00 179.01 178.26 1fdi h LYS 519 N 0.40 0.40 -0.57 1.92 3.64 -1.72 -2.95 116.57 117.69 1fdi h LYS 519 Ca 0.36 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1fdi h LYS 519 Cb 0.50 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1fdi h LYS 519 CO -0.37 0.58 0.25 0.52 -2.27 0.00 0.00 179.45 178.17 1fdi h MET 520 N 0.17 0.84 0.00 1.90 2.86 0.03 -3.44 114.93 117.30 1fdi h MET 520 Ca 0.07 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1fdi h MET 520 Cb 0.40 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1fdi h MET 520 CO 0.01 0.71 0.00 0.41 1.06 0.00 0.00 176.91 179.10 1fdi n GLY 521 N -0.87 0.91 0.09 8.32 0.00 0.13 -1.06 105.19 112.71 1fdi n GLY 521 Ca 0.03 -0.70 -0.03 0.00 0.00 0.00 0.00 46.02 45.32 1fdi n GLY 521 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fdi h GLU 522 N 0.00 0.00 0.00 1.61 5.08 -1.89 -3.39 114.58 115.99 1fdi h GLU 522 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1fdi h GLU 522 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1fdi h GLU 522 CO 0.00 0.60 -0.22 1.28 -1.00 0.00 0.00 179.01 179.68 1fdi n LEU 523 N -3.15 0.60 -4.81 1.33 4.77 -1.26 -4.91 117.00 109.58 1fdi n LEU 523 Ca -0.05 -1.16 -0.35 0.00 -0.03 0.00 0.00 56.01 54.42 1fdi n LEU 523 Cb 0.89 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.85 1fdi n LEU 523 CO 0.44 0.28 0.60 -0.83 -1.33 0.00 0.00 177.39 176.55 1fdi s GLY 524 N -1.02 2.54 -0.28 -0.72 0.00 -0.22 -4.44 107.32 103.19 1fdi s GLY 524 Ca 0.05 0.38 -0.00 0.00 0.00 0.00 0.00 44.72 45.14 1fdi s GLY 524 CO 0.00 0.71 0.05 -0.12 0.00 0.00 0.00 173.10 173.75 1fdi s PHE 525 N -1.90 1.91 -0.51 1.90 5.36 -1.26 -4.53 117.98 118.95 1fdi s PHE 525 Ca 0.55 -1.70 -0.05 0.00 -0.96 0.00 0.00 56.93 54.78 1fdi s PHE 525 Cb -0.13 -1.68 0.13 0.00 -0.34 0.00 0.00 43.02 41.00 1fdi s PHE 525 CO 0.18 -0.82 0.33 0.42 -1.46 0.00 0.00 175.22 173.88 1fdi s ILE 526 N 1.55 3.71 0.01 3.12 -1.09 0.32 -4.84 121.20 123.98 1fdi s ILE 526 Ca 0.05 -2.31 -0.30 0.00 -2.23 0.00 0.00 60.65 55.86 1fdi s ILE 526 Cb -0.18 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 1fdi s ILE 526 CO -0.17 -0.78 1.14 -1.10 -1.23 0.00 0.00 174.94 172.80 1fdi s GLN 527 N 0.76 4.44 0.73 2.79 -0.21 -1.25 -0.38 119.66 126.54 1fdi s GLN 527 Ca 0.11 1.65 -0.11 0.00 0.02 0.00 0.00 55.36 57.03 1fdi s GLN 527 Cb -0.22 -3.44 0.03 0.00 1.00 0.00 0.00 33.01 30.38 1fdi s GLN 527 CO -0.03 -0.26 1.07 1.67 -2.12 0.00 0.00 175.29 175.61 1fdi s TRP 528 N 1.39 3.01 0.26 0.91 1.48 -0.59 -0.92 118.94 124.47 1fdi s TRP 528 Ca 0.56 1.37 -0.30 0.00 -1.06 0.00 0.00 56.10 56.67 1fdi s TRP 528 Cb -0.26 -2.95 -0.09 0.00 -1.16 0.00 0.00 33.47 29.01 1fdi s TRP 528 CO 0.26 -1.40 1.13 -2.14 -4.06 0.00 0.00 176.95 170.74 1fdi s PRO 529 N -5.06 4.59 -0.30 3.25 0.02 -1.26 -4.43 135.00 131.81 1fdi s PRO 529 Ca 0.59 1.84 0.02 0.00 0.02 0.00 0.00 61.00 63.47 1fdi s PRO 529 Cb -0.14 -3.20 0.09 0.00 0.02 0.00 0.00 34.50 31.27 1fdi s PRO 529 CO 0.55 0.12 0.03 0.00 -0.33 0.00 0.00 177.00 177.37 1fdi h ARG 531 N 7.84 0.04 -5.94 0.00 3.08 -1.78 0.20 114.38 117.82 1fdi h ARG 531 Ca -0.11 -0.08 -0.64 0.00 0.07 0.00 0.00 59.98 59.23 1fdi h ARG 531 Cb 1.03 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.04 1fdi h ARG 531 CO 0.48 1.04 -0.54 -0.51 -1.07 0.00 0.00 179.97 179.37 1fdi s ASP 532 N -6.46 6.03 0.61 7.04 1.01 -1.26 -2.10 116.67 121.54 1fdi s ASP 532 Ca -0.20 0.22 0.38 0.00 0.71 0.00 0.00 52.55 53.66 1fdi s ASP 532 Cb -0.01 -1.81 1.93 0.00 1.01 0.00 0.00 42.92 44.04 1fdi s ASP 532 CO 0.69 0.24 2.20 0.74 0.21 0.00 0.00 175.17 179.25 1fdi h THR 533 N 2.78 0.11 -1.51 -1.27 2.02 -1.81 -3.37 112.91 109.85 1fdi h THR 533 Ca -0.48 -0.25 -0.74 0.00 0.77 0.00 0.00 66.41 65.72 1fdi h THR 533 Cb 1.18 1.22 0.03 0.00 -1.74 0.00 0.00 68.15 68.83 1fdi h THR 533 CO 0.68 0.02 0.72 -0.24 0.37 0.00 0.00 175.52 177.07 1fdi n SER 534 N -3.20 1.97 0.00 4.18 2.88 -1.26 -4.81 113.62 113.38 1fdi n SER 534 Ca -0.02 1.10 0.02 0.00 -1.33 0.00 0.00 58.87 58.64 1fdi n SER 534 Cb 0.17 -1.12 0.12 0.00 -0.75 0.00 0.00 64.21 62.62 1fdi n SER 534 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1fdi n ASP 535 N 4.29 0.00 0.06 -3.46 8.00 -1.26 -0.26 116.55 123.91 1fdi n ASP 535 Ca 0.24 -0.21 -0.12 0.00 0.71 0.00 0.00 54.79 55.42 1fdi n ASP 535 Cb 0.13 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.10 1fdi n ASP 535 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fdi h ALA 536 N 2.07 0.32 -1.44 2.24 0.00 -1.92 -3.39 119.26 117.14 1fdi h ALA 536 Ca 0.00 -1.03 -0.61 0.00 0.00 0.00 0.00 54.91 53.28 1fdi h ALA 536 Cb 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 17.74 1fdi h ALA 536 CO 0.00 1.20 1.08 0.34 0.00 0.00 0.00 179.25 181.87 1fdi s ASP 537 N -6.80 6.38 0.00 0.00 -1.08 0.64 -4.82 116.67 110.98 1fdi s ASP 537 Ca -0.03 -1.24 0.22 0.00 -0.52 0.00 0.00 52.55 50.98 1fdi s ASP 537 Cb 0.08 -2.51 0.59 0.00 -1.46 0.00 0.00 42.92 39.62 1fdi s ASP 537 CO 0.84 -1.49 1.47 0.00 0.52 0.00 0.00 175.17 176.52 1fdi n GLN 538 N 8.33 2.09 0.00 4.34 1.13 -1.26 -4.86 117.38 127.14 1fdi n GLN 538 Ca 0.17 -1.63 0.00 0.00 -1.94 0.00 0.00 57.00 53.60 1fdi n GLN 538 Cb 0.49 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.39 1fdi n GLN 538 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1fdi n GLY 539 N 1.30 2.42 3.52 1.08 0.00 -1.26 -4.47 105.19 107.77 1fdi n GLY 539 Ca 0.17 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 1fdi n GLY 539 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fdi s THR 540 N -2.37 4.98 0.00 2.61 2.01 -0.10 -4.92 115.64 117.86 1fdi s THR 540 Ca 0.00 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1fdi s THR 540 Cb 0.00 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.44 1fdi s THR 540 CO 0.00 -0.42 0.42 -0.24 -0.69 0.00 0.00 174.62 173.69 1fdi n SER 541 N 5.86 0.00 -4.72 3.53 2.88 -1.26 -4.58 113.62 115.32 1fdi n SER 541 Ca -0.05 0.61 -0.30 0.00 -1.33 0.00 0.00 58.87 57.80 1fdi n SER 541 Cb 0.48 -0.37 -0.07 0.00 -0.75 0.00 0.00 64.21 63.50 1fdi n SER 541 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1fdi s TYR 542 N -1.58 3.07 0.67 0.66 1.13 -1.26 -3.79 117.35 116.26 1fdi s TYR 542 Ca 0.00 0.02 0.02 0.00 -1.41 0.00 0.00 57.07 55.70 1fdi s TYR 542 Cb 0.00 -1.58 0.11 0.00 -1.10 0.00 0.00 41.96 39.40 1fdi s TYR 542 CO 0.00 0.50 0.93 -0.51 -2.51 0.00 0.00 175.55 173.95 1fdi s LEU 543 N -2.32 3.04 -1.51 -3.49 1.43 0.13 -4.68 118.68 111.28 1fdi s LEU 543 Ca 0.27 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.80 1fdi s LEU 543 Cb -0.12 -1.95 0.07 0.00 0.03 0.00 0.00 46.19 44.23 1fdi s LEU 543 CO 0.20 -1.68 0.83 0.49 0.23 0.00 0.00 176.35 176.41 1fdi n PHE 544 N -2.65 -2.06 -0.03 0.29 3.72 -1.26 -3.73 117.46 111.74 1fdi n PHE 544 Ca 0.15 0.86 -0.13 0.00 -0.05 0.00 0.00 57.45 58.27 1fdi n PHE 544 Cb 0.61 -3.84 -0.11 0.00 -0.94 0.00 0.00 39.48 35.20 1fdi n PHE 544 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1fdi h LYS 545 N -1.92 0.03 0.00 -1.08 3.64 -1.83 -3.34 116.57 112.07 1fdi h LYS 545 Ca -0.59 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 58.60 1fdi h LYS 545 Cb 1.37 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 1fdi h LYS 545 CO 0.67 0.65 -1.30 0.39 -2.27 0.00 0.00 179.45 177.58 1fdi n GLU 546 N -4.76 0.53 -3.60 1.90 -0.58 -1.26 -4.95 120.64 107.91 1fdi n GLU 546 Ca -0.09 0.38 -0.18 0.00 -0.42 0.00 0.00 57.16 56.86 1fdi n GLU 546 Cb 0.33 -1.58 -0.04 0.00 -0.57 0.00 0.00 31.44 29.57 1fdi n GLU 546 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1fdi n LYS 547 N -4.44 0.89 -0.26 3.49 2.85 -1.26 -5.08 118.16 114.33 1fdi n LYS 547 Ca -0.26 -2.27 0.10 0.00 -1.05 0.00 0.00 58.31 54.83 1fdi n LYS 547 Cb 0.58 1.01 0.24 0.00 -0.65 0.00 0.00 35.03 36.20 1fdi n LYS 547 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1fdi n PHE 548 N -0.67 0.70 -0.28 5.58 3.72 -0.90 -4.33 117.46 121.28 1fdi n PHE 548 Ca -0.07 -0.44 0.00 0.00 -0.05 0.00 0.00 57.45 56.89 1fdi n PHE 548 Cb 0.40 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 1fdi n PHE 548 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1fdi n ASP 549 N 1.22 0.00 -4.81 4.37 8.00 -1.26 -3.80 116.55 120.27 1fdi n ASP 549 Ca 0.19 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.38 1fdi n ASP 549 Cb 0.54 -1.18 0.07 0.00 -0.02 0.00 0.00 41.12 40.53 1fdi n ASP 549 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1fdi s THR 550 N -1.92 3.64 0.50 -3.53 -4.23 -1.26 -4.72 115.64 104.13 1fdi s THR 550 Ca 0.00 0.53 0.22 0.00 -1.18 0.00 0.00 61.69 61.26 1fdi s THR 550 Cb 0.00 -3.24 0.38 0.00 1.34 0.00 0.00 72.50 70.97 1fdi s THR 550 CO 0.00 -0.70 1.99 1.55 -0.54 0.00 0.00 174.62 176.93 1fdi h PRO 551 N -0.89 0.10 -0.13 3.99 0.13 -1.92 -2.21 132.00 131.06 1fdi h PRO 551 Ca -0.45 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 1fdi h PRO 551 Cb 1.23 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1fdi h PRO 551 CO 0.57 0.07 -0.28 0.27 -0.23 0.00 0.00 178.00 178.40 1fdi n ASN 552 N -4.41 2.14 0.00 1.44 6.94 -1.26 -5.00 115.26 115.12 1fdi n ASN 552 Ca 0.10 -3.73 0.00 0.00 -0.02 0.00 0.00 54.58 50.92 1fdi n ASN 552 Cb 0.54 -0.56 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 1fdi n ASN 552 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1fdi n GLY 553 N -1.13 0.76 3.91 4.83 0.00 -0.83 -4.98 105.19 107.74 1fdi n GLY 553 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 1fdi n GLY 553 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fdi s LEU 554 N 0.00 4.25 0.39 0.99 1.43 -1.26 -2.12 118.68 122.36 1fdi s LEU 554 Ca 0.00 0.53 -0.23 0.00 -1.03 0.00 0.00 54.13 53.40 1fdi s LEU 554 Cb 0.00 -3.27 -0.10 0.00 0.03 0.00 0.00 46.19 42.85 1fdi s LEU 554 CO 0.00 0.02 0.98 0.00 0.23 0.00 0.00 176.35 177.59 1fdi s ALA 555 N -1.72 3.09 -0.40 4.21 0.00 -0.11 -4.68 121.76 122.14 1fdi s ALA 555 Ca 0.40 0.54 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 1fdi s ALA 555 Cb -0.12 -3.20 0.06 0.00 0.00 0.00 0.00 23.12 19.85 1fdi s ALA 555 CO 0.26 0.01 0.25 -0.65 0.00 0.00 0.00 175.76 175.63 1fdi s GLN 556 N -2.64 2.74 0.56 0.00 1.11 0.14 -0.57 119.66 120.99 1fdi s GLN 556 Ca 0.58 -1.28 -0.21 0.00 0.01 0.00 0.00 55.36 54.45 1fdi s GLN 556 Cb -0.16 -3.79 -0.04 0.00 -1.01 0.00 0.00 33.01 28.01 1fdi s GLN 556 CO 0.21 -0.85 1.36 -0.06 0.01 0.00 0.00 175.29 175.96 1fdi s PHE 557 N 1.50 2.22 -0.14 0.91 0.08 0.06 -4.45 117.98 118.17 1fdi s PHE 557 Ca 0.02 1.38 -0.30 0.00 0.12 0.00 0.00 56.93 58.15 1fdi s PHE 557 Cb -0.21 -3.81 0.12 0.00 -0.57 0.00 0.00 43.02 38.55 1fdi s PHE 557 CO 0.05 -2.98 0.97 0.12 -0.10 0.00 0.00 175.22 173.27 1fdi s PHE 558 N -1.30 -0.39 0.00 0.36 5.36 -1.26 -4.81 117.98 115.94 1fdi s PHE 558 Ca 0.73 0.64 0.00 0.00 -0.96 0.00 0.00 56.93 57.34 1fdi s PHE 558 Cb -0.41 0.45 0.00 0.00 -0.34 0.00 0.00 43.02 42.73 1fdi s PHE 558 CO 0.47 -0.37 0.00 0.25 -1.46 0.00 0.00 175.22 174.11 1fdi n THR 559 N 0.68 0.00 -3.98 0.12 -2.24 -1.26 -3.99 114.28 103.61 1fdi n THR 559 Ca -0.11 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.69 1fdi n THR 559 Cb 0.58 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.83 1fdi n THR 559 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fdi s ASP 561 N -3.75 7.29 0.71 0.00 1.01 -1.26 -5.01 116.67 115.66 1fdi s ASP 561 Ca 0.28 1.88 -0.16 0.00 0.71 0.00 0.00 52.55 55.26 1fdi s ASP 561 Cb -0.01 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.34 1fdi s ASP 561 CO 0.01 -0.11 1.08 1.87 0.21 0.00 0.00 175.17 178.23 1fdi n TRP 562 N 0.55 1.06 -3.73 4.23 -0.00 -1.26 -5.01 117.44 113.28 1fdi n TRP 562 Ca 0.02 0.41 -0.12 0.00 -0.00 0.00 0.00 57.50 57.80 1fdi n TRP 562 Cb 0.50 -2.13 -0.11 0.00 -0.00 0.00 0.00 31.31 29.56 1fdi n TRP 562 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 1fdi s VAL 563 N -1.73 -0.01 0.80 5.87 1.01 -1.26 -5.05 120.40 120.03 1fdi s VAL 563 Ca 0.76 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.68 1fdi s VAL 563 Cb -0.35 -0.50 0.07 0.00 0.00 0.00 0.00 36.38 35.60 1fdi s VAL 563 CO 0.48 0.02 1.09 0.00 0.00 0.00 0.00 175.10 176.69 1fdi s ALA 564 N 0.70 2.14 1.12 5.51 0.00 -1.26 -4.94 121.76 125.03 1fdi s ALA 564 Ca -0.04 -0.06 -0.14 0.00 0.00 0.00 0.00 51.96 51.72 1fdi s ALA 564 Cb -0.05 -3.16 0.25 0.00 0.00 0.00 0.00 23.12 20.16 1fdi s ALA 564 CO -0.05 -1.81 1.06 -2.14 0.00 0.00 0.00 175.76 172.82 1fdi s PRO 565 N -5.05 -0.54 0.00 0.00 0.02 -1.26 -5.00 135.00 123.17 1fdi s PRO 565 Ca 0.61 0.55 0.00 0.00 0.02 0.00 0.00 61.00 62.18 1fdi s PRO 565 Cb -0.16 -1.62 0.00 0.00 0.02 0.00 0.00 34.50 32.74 1fdi s PRO 565 CO 0.55 -3.39 0.43 -0.89 -0.33 0.00 0.00 177.00 173.37 1fdi n ILE 566 N -4.64 0.00 -1.31 2.83 5.41 -1.26 -4.72 119.36 115.67 1fdi n ILE 566 Ca 0.05 0.85 -0.57 0.00 1.00 0.00 0.00 62.75 64.08 1fdi n ILE 566 Cb 0.56 -1.69 -0.10 0.00 -0.71 0.00 0.00 39.64 37.70 1fdi n ILE 566 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1fdi n ASP 567 N -1.52 1.18 -4.72 4.38 9.92 -1.26 -4.89 116.55 119.64 1fdi n ASP 567 Ca 0.00 0.59 -0.40 0.00 -0.53 0.00 0.00 54.79 54.45 1fdi n ASP 567 Cb 0.00 -1.01 -0.04 0.00 -0.64 0.00 0.00 41.12 39.42 1fdi n ASP 567 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1fdi s LYS 568 N 6.10 4.46 0.42 -1.24 2.36 -1.26 -4.74 119.74 125.84 1fdi s LYS 568 Ca 1.17 0.99 -0.25 0.00 -2.55 0.00 0.00 55.97 55.33 1fdi s LYS 568 Cb -1.30 -3.44 -0.08 0.00 -1.05 0.00 0.00 37.83 31.97 1fdi s LYS 568 CO 0.60 0.08 1.27 -0.51 1.55 0.00 0.00 175.35 178.35 1fdi s LEU 569 N 0.71 4.17 0.26 5.43 1.43 -1.26 -4.97 118.68 124.45 1fdi s LEU 569 Ca 0.40 2.59 0.11 0.00 -1.03 0.00 0.00 54.13 56.19 1fdi s LEU 569 Cb -0.19 -3.97 -0.05 0.00 0.03 0.00 0.00 46.19 42.01 1fdi s LEU 569 CO 0.20 -0.88 -0.12 0.42 0.23 0.00 0.00 176.35 176.20 1fdi s THR 570 N -1.31 2.89 0.60 5.49 -4.23 -1.23 -4.99 115.64 112.86 1fdi s THR 570 Ca 0.58 -2.14 0.29 0.00 -1.18 0.00 0.00 61.69 59.25 1fdi s THR 570 Cb -0.36 -2.52 0.36 0.00 1.34 0.00 0.00 72.50 71.32 1fdi s THR 570 CO 0.46 -0.35 2.08 -2.24 -0.54 0.00 0.00 174.62 174.03 1fdi h ASP 571 N 2.24 0.00 1.32 3.99 3.04 -1.99 0.56 116.42 125.57 1fdi h ASP 571 Ca -0.43 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 53.24 1fdi h ASP 571 Cb 1.25 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.52 1fdi h ASP 571 CO 0.59 0.00 -0.70 -0.33 -2.04 0.00 0.00 179.24 176.76 1fdi h GLU 572 N 0.00 0.00 -2.10 4.15 4.39 -2.01 -3.37 114.58 115.64 1fdi h GLU 572 Ca 0.09 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.23 1fdi h GLU 572 Cb 0.54 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.79 1fdi h GLU 572 CO -0.00 0.51 -0.92 0.66 -1.16 0.00 0.00 179.01 178.10 1fdi n TYR 573 N -3.18 1.50 0.32 4.33 4.01 0.15 -4.89 117.16 119.39 1fdi n TYR 573 Ca -0.00 -3.84 0.14 0.00 -0.16 0.00 0.00 57.90 54.04 1fdi n TYR 573 Cb 0.77 -0.44 0.64 0.00 -0.31 0.00 0.00 39.34 40.00 1fdi n TYR 573 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1fdi h PRO 574 N 3.65 0.00 -6.70 -0.72 0.13 -1.63 -3.25 132.00 123.48 1fdi h PRO 574 Ca 0.12 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.73 1fdi h PRO 574 Cb 0.78 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.94 1fdi h PRO 574 CO 0.62 0.00 0.56 -1.64 -0.23 0.00 0.00 178.00 177.31 1fdi s MET 575 N -3.54 4.50 -0.25 0.86 -1.94 -1.25 -4.87 119.30 112.81 1fdi s MET 575 Ca 0.01 1.90 -0.11 0.00 -1.71 0.00 0.00 55.69 55.78 1fdi s MET 575 Cb 0.09 -3.22 -0.05 0.00 2.01 0.00 0.00 34.83 33.66 1fdi s MET 575 CO 0.40 -0.06 0.18 0.08 -0.01 0.00 0.00 175.02 175.61 1fdi s VAL 576 N -0.27 5.34 -0.24 -6.03 1.01 -0.79 -2.39 120.40 117.03 1fdi s VAL 576 Ca 0.52 0.21 -0.13 0.00 0.00 0.00 0.00 61.98 62.58 1fdi s VAL 576 Cb -0.33 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1fdi s VAL 576 CO 0.38 0.31 0.26 -0.22 0.00 0.00 0.00 175.10 175.84 1fdi s LEU 577 N 1.27 4.10 -0.24 3.92 2.96 0.13 0.40 118.68 131.23 1fdi s LEU 577 Ca 0.08 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 1fdi s LEU 577 Cb -0.14 -2.27 0.06 0.00 0.50 0.00 0.00 46.19 44.33 1fdi s LEU 577 CO 0.06 -0.03 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.44 1fdi s SER 578 N 1.22 4.01 0.59 3.68 0.15 -0.94 -0.27 113.70 122.14 1fdi s SER 578 Ca 0.12 -1.22 -0.17 0.00 0.70 0.00 0.00 55.95 55.38 1fdi s SER 578 Cb -0.14 -1.33 -0.04 0.00 -1.71 0.00 0.00 66.02 62.80 1fdi s SER 578 CO 0.07 -0.20 1.09 0.42 1.20 0.00 0.00 173.24 175.82 1fdi s THR 579 N 1.28 3.42 0.00 6.45 -4.23 -1.00 -3.05 115.64 118.51 1fdi s THR 579 Ca -0.06 0.76 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 1fdi s THR 579 Cb -0.19 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.38 1fdi s THR 579 CO -0.06 -0.32 0.00 0.55 -0.54 0.00 0.00 174.62 174.25 1fdi n VAL 580 N -1.81 0.00 -4.17 2.29 3.14 0.11 -4.68 118.33 113.21 1fdi n VAL 580 Ca 0.10 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.38 1fdi n VAL 580 Cb 0.52 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.26 1fdi n VAL 580 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 1fdi n ARG 581 N 0.00 0.35 -4.12 1.45 1.85 -1.26 -3.45 116.66 111.47 1fdi n ARG 581 Ca 0.00 -1.70 -0.10 0.00 -1.00 0.00 0.00 57.85 55.04 1fdi n ARG 581 Cb 0.00 1.27 -0.10 0.00 -1.05 0.00 0.00 32.46 32.58 1fdi n ARG 581 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 1fdi s GLU 582 N -2.71 0.70 1.06 2.89 -1.05 -1.26 -4.89 118.70 113.43 1fdi s GLU 582 Ca 0.18 -1.15 -0.17 0.00 -0.15 0.00 0.00 54.97 53.67 1fdi s GLU 582 Cb 0.01 -0.14 0.23 0.00 -0.44 0.00 0.00 34.13 33.80 1fdi s GLU 582 CO 0.12 -0.02 1.24 0.08 0.95 0.00 0.00 175.26 177.63 1fdi s VAL 583 N -3.08 1.84 0.00 1.83 1.01 -1.26 -3.99 120.40 116.76 1fdi s VAL 583 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1fdi s VAL 583 Cb 0.02 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1fdi s VAL 583 CO -0.04 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1fdi n GLY 584 N -2.65 1.05 3.32 4.51 0.00 -1.26 -4.86 105.19 105.29 1fdi n GLY 584 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1fdi n GLY 584 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fdi s HIS 585 N 0.00 2.12 -0.23 1.61 4.02 -1.26 -4.88 115.29 116.67 1fdi s HIS 585 Ca 0.00 -0.40 0.00 0.00 1.02 0.00 0.00 55.06 55.69 1fdi s HIS 585 Cb 0.00 -1.24 0.06 0.00 -1.02 0.00 0.00 32.58 30.38 1fdi s HIS 585 CO 0.00 0.16 -0.03 -0.47 1.02 0.00 0.00 174.74 175.41 1fdi s TYR 586 N -0.88 2.19 0.00 1.40 6.14 -1.26 -4.56 117.35 120.39 1fdi s TYR 586 Ca 0.10 -1.64 0.00 0.00 0.64 0.00 0.00 57.07 56.17 1fdi s TYR 586 Cb -0.10 -1.52 0.00 0.00 0.42 0.00 0.00 41.96 40.77 1fdi s TYR 586 CO 0.03 -0.75 0.00 0.43 0.64 0.00 0.00 175.55 175.89 1fdi n SER 587 N 4.73 0.00 0.00 4.32 7.64 -1.26 -2.23 113.62 126.81 1fdi n SER 587 Ca -0.11 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.82 1fdi n SER 587 Cb 0.44 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 63.92 1fdi n SER 587 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fdi n ARG 589 N -1.15 -1.51 0.03 0.00 0.63 -0.95 -4.81 116.66 108.90 1fdi n ARG 589 Ca 0.06 0.70 -0.15 0.00 -0.92 0.00 0.00 57.85 57.55 1fdi n ARG 589 Cb 0.06 -4.86 -0.04 0.00 0.45 0.00 0.00 32.46 28.07 1fdi n ARG 589 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1fdi h SER 590 N 0.00 0.72 0.00 6.15 0.02 -1.88 0.15 113.55 118.71 1fdi h SER 590 Ca -0.21 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 1fdi h SER 590 Cb 0.86 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1fdi h SER 590 CO 0.31 1.29 -0.03 0.24 -1.14 0.00 0.00 176.83 177.50 1fdi h MET 591 N 0.38 0.00 -0.68 3.45 2.86 -1.90 -3.29 114.93 115.75 1fdi h MET 591 Ca -0.06 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.72 1fdi h MET 591 Cb 1.46 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 33.01 1fdi h MET 591 CO 0.16 0.00 0.04 0.00 1.06 0.00 0.00 176.91 178.17 1fdi h THR 592 N -0.21 0.45 0.00 2.22 1.03 -1.87 0.10 112.91 114.63 1fdi h THR 592 Ca 0.00 -0.05 -0.02 0.00 -0.01 0.00 0.00 66.41 66.34 1fdi h THR 592 Cb 0.03 0.29 -0.00 0.00 -1.07 0.00 0.00 68.15 67.40 1fdi h THR 592 CO 0.00 0.03 -0.07 1.23 -0.01 0.00 0.00 175.52 176.69 1fdi h GLY 593 N 0.14 0.00 -2.12 2.99 0.00 -0.90 -1.81 103.07 101.37 1fdi h GLY 593 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1fdi h GLY 593 CO -0.57 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.67 1fdi n ASN 594 N -3.26 3.17 -4.64 0.19 3.02 0.34 -4.52 115.26 109.56 1fdi n ASN 594 Ca -0.00 -2.23 -0.35 0.00 -0.03 0.00 0.00 54.58 51.97 1fdi n ASN 594 Cb 0.29 -0.44 -0.10 0.00 -0.61 0.00 0.00 39.78 38.93 1fdi n ASN 594 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fdi h ALA 596 N 6.50 -0.31 -0.44 0.00 0.00 -1.86 -0.26 119.26 122.89 1fdi h ALA 596 Ca -0.38 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 1fdi h ALA 596 Cb 1.17 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1fdi h ALA 596 CO 0.68 -0.73 -0.21 0.00 0.00 0.00 0.00 179.25 178.99 1fdi h ALA 597 N 0.49 0.80 -0.29 0.00 0.00 -1.95 -2.88 119.26 115.43 1fdi h ALA 597 Ca 0.06 -0.38 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 1fdi h ALA 597 Cb 0.45 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1fdi h ALA 597 CO -0.21 0.65 -0.49 -0.07 0.00 0.00 0.00 179.25 179.13 1fdi h LEU 598 N 0.76 0.93 -1.61 0.00 3.38 -1.82 -2.94 115.31 114.01 1fdi h LEU 598 Ca 0.10 -0.52 0.05 0.00 0.09 0.00 0.00 57.88 57.60 1fdi h LEU 598 Cb 0.75 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1fdi h LEU 598 CO 0.06 1.28 0.33 0.00 0.09 0.00 0.00 178.44 180.20 1fdi h ALA 599 N 0.68 1.84 0.00 1.53 0.00 -1.04 -2.19 119.26 120.09 1fdi h ALA 599 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fdi h ALA 599 Cb 1.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1fdi h ALA 599 CO 0.11 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1fdi n ALA 600 N -2.49 1.55 0.61 0.00 0.00 -1.09 -2.67 120.51 116.42 1fdi n ALA 600 Ca 0.06 0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.62 1fdi n ALA 600 Cb 0.20 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 1fdi n ALA 600 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fdi n LEU 601 N -1.97 0.79 -3.45 0.00 4.32 -0.83 -4.97 117.00 110.90 1fdi n LEU 601 Ca 0.02 -0.56 0.01 0.00 -0.02 0.00 0.00 56.01 55.46 1fdi n LEU 601 Cb 0.18 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.94 1fdi n LEU 601 CO 0.15 0.18 0.51 0.00 -1.22 0.00 0.00 177.39 177.01 1fdi s ALA 602 N -2.10 -2.55 0.00 -1.18 0.00 -1.09 -5.15 121.76 109.68 1fdi s ALA 602 Ca 0.06 2.10 0.00 0.00 0.00 0.00 0.00 51.96 54.13 1fdi s ALA 602 Cb 0.10 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.22 1fdi s ALA 602 CO 0.49 -0.97 0.00 -3.47 0.00 0.00 0.00 175.76 171.81 1fdi n ASP 603 N 5.13 0.43 -4.80 0.00 -0.08 -1.25 -4.62 116.55 111.36 1fdi n ASP 603 Ca -0.10 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.86 1fdi n ASP 603 Cb 0.52 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.98 1fdi n ASP 603 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1fdi s GLU 604 N 1.61 3.36 0.08 -0.67 0.41 -1.26 -3.83 118.70 118.40 1fdi s GLU 604 Ca 0.00 1.24 0.23 0.00 -0.41 0.00 0.00 54.97 56.02 1fdi s GLU 604 Cb 0.00 -2.04 -0.01 0.00 -1.78 0.00 0.00 34.13 30.30 1fdi s GLU 604 CO 0.00 -0.78 0.96 -0.35 -0.49 0.00 0.00 175.26 174.60 1fdi n PRO 605 N -1.90 0.42 0.00 0.39 -0.04 -1.26 -5.02 135.00 127.59 1fdi n PRO 605 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1fdi n PRO 605 Cb 0.53 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1fdi n PRO 605 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fdi n GLY 606 N 1.31 2.45 3.61 0.55 0.00 -1.25 -3.06 105.19 108.81 1fdi n GLY 606 Ca 0.01 -2.07 -0.24 0.00 0.00 0.00 0.00 46.02 43.72 1fdi n GLY 606 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fdi s TYR 607 N -1.84 2.64 -0.15 1.61 2.02 -1.26 -0.95 117.35 119.42 1fdi s TYR 607 Ca 0.00 -0.23 -0.01 0.00 -0.37 0.00 0.00 57.07 56.46 1fdi s TYR 607 Cb 0.00 -1.19 0.04 0.00 -0.40 0.00 0.00 41.96 40.41 1fdi s TYR 607 CO 0.00 0.61 -0.03 0.00 -1.57 0.00 0.00 175.55 174.57 1fdi s ALA 608 N -2.23 1.24 -0.64 3.71 0.00 -0.70 -4.48 121.76 118.66 1fdi s ALA 608 Ca 0.30 -0.67 -0.27 0.00 0.00 0.00 0.00 51.96 51.33 1fdi s ALA 608 Cb -0.07 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 1fdi s ALA 608 CO 0.18 -0.78 1.74 -0.65 0.00 0.00 0.00 175.76 176.25 1fdi s GLN 609 N 1.74 2.74 -0.14 0.00 -0.21 -0.28 -2.31 119.66 121.20 1fdi s GLN 609 Ca 0.01 0.42 -0.06 0.00 0.02 0.00 0.00 55.36 55.76 1fdi s GLN 609 Cb -0.15 -4.36 -0.04 0.00 1.00 0.00 0.00 33.01 29.47 1fdi s GLN 609 CO -0.07 -2.62 0.06 0.42 -2.12 0.00 0.00 175.29 170.95 1fdi s ILE 610 N 8.41 4.76 0.22 1.08 1.01 -0.78 -3.05 121.20 132.84 1fdi s ILE 610 Ca 0.61 -0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.89 1fdi s ILE 610 Cb -0.12 -3.09 -0.10 0.00 0.01 0.00 0.00 42.46 39.17 1fdi s ILE 610 CO 0.19 0.53 1.42 0.21 0.00 0.00 0.00 174.94 177.29 1fdi s ASN 611 N -0.22 6.71 0.00 3.58 3.84 -1.26 -0.68 114.94 126.92 1fdi s ASN 611 Ca 0.08 2.57 0.00 0.00 0.21 0.00 0.00 52.86 55.72 1fdi s ASN 611 Cb -0.12 -2.61 0.00 0.00 -0.55 0.00 0.00 41.25 37.97 1fdi s ASN 611 CO 0.01 -0.67 0.55 0.41 -2.79 0.00 0.00 177.10 174.61 1fdi n THR 612 N 2.72 0.00 -0.24 -5.21 -1.04 0.27 -0.25 114.28 110.53 1fdi n THR 612 Ca 0.08 1.05 0.00 0.00 -2.04 0.00 0.00 64.05 63.14 1fdi n THR 612 Cb 0.41 -1.72 0.04 0.00 -1.82 0.00 0.00 70.33 67.23 1fdi n THR 612 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1fdi n GLU 613 N -1.00 -0.13 0.01 -2.82 1.02 -1.26 0.42 120.64 116.89 1fdi n GLU 613 Ca 0.00 0.99 0.13 0.00 -0.02 0.00 0.00 57.16 58.25 1fdi n GLU 613 Cb 0.00 -1.47 0.34 0.00 -0.02 0.00 0.00 31.44 30.29 1fdi n GLU 613 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1fdi n ASP 614 N -4.96 0.42 -0.01 1.62 5.75 -1.15 -3.57 116.55 114.64 1fdi n ASP 614 Ca 0.07 0.03 -0.15 0.00 -0.01 0.00 0.00 54.79 54.74 1fdi n ASP 614 Cb 0.27 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.33 1fdi n ASP 614 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1fdi h ALA 615 N 2.90 0.41 -0.34 2.12 0.00 0.32 -2.92 119.26 121.75 1fdi h ALA 615 Ca 0.00 -0.59 0.10 0.00 0.00 0.00 0.00 54.91 54.41 1fdi h ALA 615 Cb 0.55 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1fdi h ALA 615 CO 0.00 0.70 0.25 0.87 0.00 0.00 0.00 179.25 181.07 1fdi h LYS 616 N 0.48 0.02 -0.18 0.00 1.57 -1.50 0.48 116.57 117.44 1fdi h LYS 616 Ca -0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1fdi h LYS 616 Cb 1.35 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1fdi h LYS 616 CO 0.15 0.01 0.00 -2.13 -0.57 0.00 0.00 179.45 176.91 1fdi n ARG 617 N -4.44 1.95 -0.00 3.15 0.63 -1.15 -4.00 116.66 112.80 1fdi n ARG 617 Ca 0.05 -1.42 0.05 0.00 -0.92 0.00 0.00 57.85 55.61 1fdi n ARG 617 Cb 0.41 -1.44 -0.06 0.00 0.45 0.00 0.00 32.46 31.82 1fdi n ARG 617 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1fdi n LEU 618 N 0.66 0.28 -1.85 6.15 7.99 0.16 -5.01 117.00 125.37 1fdi n LEU 618 Ca 0.17 -0.31 -0.08 0.00 -0.01 0.00 0.00 56.01 55.79 1fdi n LEU 618 Cb 0.42 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.77 1fdi n LEU 618 CO 0.14 0.07 0.06 0.61 -1.51 0.00 0.00 177.39 176.77 1fdi n GLY 619 N 1.50 0.22 3.00 -0.72 0.00 -0.82 -4.66 105.19 103.71 1fdi n GLY 619 Ca 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 1fdi n GLY 619 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fdi s ILE 620 N -3.13 0.93 0.09 -0.61 1.01 -1.20 -4.68 121.20 113.61 1fdi s ILE 620 Ca 0.09 -0.38 0.07 0.00 0.00 0.00 0.00 60.65 60.42 1fdi s ILE 620 Cb -0.04 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 1fdi s ILE 620 CO 0.28 0.30 -0.18 -0.70 0.00 0.00 0.00 174.94 174.64 1fdi s GLU 621 N 0.55 1.01 -0.36 2.79 -6.30 -1.26 -4.52 118.70 110.62 1fdi s GLU 621 Ca -0.10 -1.09 -0.42 0.00 -2.50 0.00 0.00 54.97 50.86 1fdi s GLU 621 Cb -0.13 -1.18 -0.18 0.00 0.00 0.00 0.00 34.13 32.64 1fdi s GLU 621 CO 0.02 0.27 1.36 -3.47 0.02 0.00 0.00 175.26 173.46 1fdi n ASP 622 N 1.15 0.86 0.00 -1.70 2.03 -1.26 -1.51 116.55 116.11 1fdi n ASP 622 Ca -0.20 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.19 1fdi n ASP 622 Cb 0.54 -0.81 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 1fdi n ASP 622 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1fdi n GLU 623 N 3.15 0.00 -3.87 -0.67 -0.58 -1.19 -4.95 120.64 112.53 1fdi n GLU 623 Ca 0.26 0.11 -0.37 0.00 -0.42 0.00 0.00 57.16 56.75 1fdi n GLU 623 Cb -0.03 -2.79 -0.07 0.00 -0.57 0.00 0.00 31.44 27.99 1fdi n GLU 623 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fdi s ALA 624 N -2.00 3.81 0.02 0.62 0.00 -0.57 -4.75 121.76 118.90 1fdi s ALA 624 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 51.96 51.00 1fdi s ALA 624 Cb 0.00 -1.99 -0.07 0.00 0.00 0.00 0.00 23.12 21.06 1fdi s ALA 624 CO 0.00 0.53 1.67 -0.51 0.00 0.00 0.00 175.76 177.45 1fdi s LEU 625 N -0.75 4.36 0.44 0.00 1.43 -1.26 -0.31 118.68 122.58 1fdi s LEU 625 Ca 0.13 2.41 0.03 0.00 -1.03 0.00 0.00 54.13 55.67 1fdi s LEU 625 Cb -0.12 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 1fdi s LEU 625 CO 0.03 -0.91 0.06 0.54 0.23 0.00 0.00 176.35 176.30 1fdi s VAL 626 N 3.24 1.00 0.19 -1.59 0.11 0.12 -3.41 120.40 120.06 1fdi s VAL 626 Ca 0.75 -2.00 0.10 0.00 -2.93 0.00 0.00 61.98 57.89 1fdi s VAL 626 Cb -0.38 -2.39 -0.04 0.00 -1.53 0.00 0.00 36.38 32.04 1fdi s VAL 626 CO 0.32 0.00 -0.20 0.26 -3.33 0.00 0.00 175.10 172.15 1fdi s TRP 627 N -3.05 2.01 -0.11 1.54 0.52 -0.56 -2.11 118.94 117.18 1fdi s TRP 627 Ca 0.19 -0.43 -0.04 0.00 0.02 0.00 0.00 56.10 55.84 1fdi s TRP 627 Cb 0.04 -0.97 0.06 0.00 -1.15 0.00 0.00 33.47 31.44 1fdi s TRP 627 CO 0.11 0.44 0.22 0.08 0.02 0.00 0.00 176.95 177.81 1fdi s VAL 628 N -2.12 -0.33 0.27 4.03 1.01 0.02 -1.37 120.40 121.92 1fdi s VAL 628 Ca 0.20 0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.56 1fdi s VAL 628 Cb -0.06 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 1fdi s VAL 628 CO 0.09 0.13 0.19 -1.00 0.00 0.00 0.00 175.10 174.51 1fdi s HIS 629 N 2.30 3.03 0.14 5.22 3.76 -0.47 0.72 115.29 129.99 1fdi s HIS 629 Ca 0.01 -0.16 -0.22 0.00 -0.15 0.00 0.00 55.06 54.54 1fdi s HIS 629 Cb -0.12 -1.45 0.06 0.00 1.11 0.00 0.00 32.58 32.18 1fdi s HIS 629 CO -0.07 0.47 0.57 0.45 -0.85 0.00 0.00 174.74 175.30 1fdi s SER 630 N -3.85 -0.51 0.32 1.40 0.15 0.86 -2.92 113.70 109.15 1fdi s SER 630 Ca 0.34 -0.01 0.20 0.00 0.70 0.00 0.00 55.95 57.18 1fdi s SER 630 Cb -0.07 0.57 1.12 0.00 -1.71 0.00 0.00 66.02 65.93 1fdi s SER 630 CO 0.25 -0.92 1.62 0.54 1.20 0.00 0.00 173.24 175.92 1fdi n ARG 631 N -0.26 0.13 -0.03 5.44 1.74 -1.26 -0.67 116.66 121.74 1fdi n ARG 631 Ca -0.17 0.63 0.05 0.00 -0.77 0.00 0.00 57.85 57.59 1fdi n ARG 631 Cb 0.64 -1.97 -0.15 0.00 -1.02 0.00 0.00 32.46 29.96 1fdi n ARG 631 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1fdi n LYS 632 N -2.23 0.70 -3.10 5.56 4.76 -1.26 -5.09 118.16 117.49 1fdi n LYS 632 Ca -0.01 -0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 1fdi n LYS 632 Cb 0.06 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 1fdi n LYS 632 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1fdi n GLY 633 N 1.50 -0.63 2.92 0.72 0.00 0.15 -4.73 105.19 105.12 1fdi n GLY 633 Ca -0.10 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 1fdi n GLY 633 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fdi s LYS 634 N -0.20 0.34 0.08 1.61 2.20 -1.26 0.30 119.74 122.80 1fdi s LYS 634 Ca 0.00 0.54 0.03 0.00 -0.36 0.00 0.00 55.97 56.17 1fdi s LYS 634 Cb 0.00 -0.49 -0.04 0.00 -1.51 0.00 0.00 37.83 35.79 1fdi s LYS 634 CO 0.00 -0.63 0.10 0.42 -0.36 0.00 0.00 175.35 174.88 1fdi s ILE 635 N 2.54 4.67 -0.05 5.43 -1.09 0.22 -4.94 121.20 127.97 1fdi s ILE 635 Ca 0.12 -0.72 0.03 0.00 -2.23 0.00 0.00 60.65 57.85 1fdi s ILE 635 Cb -0.15 -3.26 -0.03 0.00 -1.58 0.00 0.00 42.46 37.44 1fdi s ILE 635 CO -0.15 0.12 -0.11 -0.51 -1.23 0.00 0.00 174.94 173.06 1fdi s ILE 636 N -1.42 3.34 0.31 2.92 2.07 -1.26 -0.80 121.20 126.37 1fdi s ILE 636 Ca 0.30 -0.65 -0.08 0.00 -1.41 0.00 0.00 60.65 58.81 1fdi s ILE 636 Cb -0.12 -2.35 0.01 0.00 0.13 0.00 0.00 42.46 40.13 1fdi s ILE 636 CO 0.23 0.57 0.52 0.42 -1.91 0.00 0.00 174.94 174.77 1fdi s THR 637 N -0.79 0.00 -0.23 4.00 -4.23 -0.90 -4.16 115.64 109.34 1fdi s THR 637 Ca 0.12 -1.45 -0.10 0.00 -1.18 0.00 0.00 61.69 59.09 1fdi s THR 637 Cb -0.11 -2.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.16 1fdi s THR 637 CO 0.01 0.00 0.14 -0.60 -0.54 0.00 0.00 174.62 173.64 1fdi s ARG 638 N -3.29 4.07 1.13 3.99 3.52 -0.12 0.10 118.95 128.35 1fdi s ARG 638 Ca 0.25 -0.27 -0.18 0.00 -0.13 0.00 0.00 55.73 55.40 1fdi s ARG 638 Cb -0.01 -3.48 0.26 0.00 -1.56 0.00 0.00 34.95 30.16 1fdi s ARG 638 CO 0.15 0.12 1.15 0.00 -0.81 0.00 0.00 175.30 175.91 1fdi s ALA 639 N 0.87 0.98 -0.36 6.12 0.00 0.57 -1.72 121.76 128.22 1fdi s ALA 639 Ca 0.07 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 1fdi s ALA 639 Cb -0.13 -2.89 0.18 0.00 0.00 0.00 0.00 23.12 20.29 1fdi s ALA 639 CO 0.03 -3.28 0.85 -1.14 0.00 0.00 0.00 175.76 172.22 1fdi s GLN 640 N -5.46 0.47 0.15 0.00 0.74 -0.98 -3.19 119.66 111.39 1fdi s GLN 640 Ca 0.71 -0.12 -0.30 0.00 0.05 0.00 0.00 55.36 55.69 1fdi s GLN 640 Cb -0.09 0.07 -0.08 0.00 1.10 0.00 0.00 33.01 34.01 1fdi s GLN 640 CO 0.55 -0.70 1.24 0.08 -0.55 0.00 0.00 175.29 175.92 1fdi s VAL 641 N 1.98 3.59 0.19 1.34 1.01 -1.26 -1.86 120.40 125.39 1fdi s VAL 641 Ca 0.16 1.25 -0.24 0.00 0.00 0.00 0.00 61.98 63.15 1fdi s VAL 641 Cb -0.01 -3.80 0.05 0.00 0.00 0.00 0.00 36.38 32.62 1fdi s VAL 641 CO -0.12 0.16 0.86 -0.94 0.00 0.00 0.00 175.10 175.06 1fdi s SER 642 N 0.51 -0.23 -0.38 3.32 1.04 0.15 -4.83 113.70 113.28 1fdi s SER 642 Ca 0.56 -0.44 0.06 0.00 0.48 0.00 0.00 55.95 56.60 1fdi s SER 642 Cb -0.33 0.57 0.66 0.00 0.10 0.00 0.00 66.02 67.02 1fdi s SER 642 CO 0.34 -1.05 1.83 0.47 0.98 0.00 0.00 173.24 175.81 1fdi n ASP 643 N -0.45 4.05 -0.10 7.02 8.00 -1.26 0.95 116.55 134.75 1fdi n ASP 643 Ca -0.06 -3.38 -0.21 0.00 0.71 0.00 0.00 54.79 51.84 1fdi n ASP 643 Cb 0.60 -0.79 -0.08 0.00 -0.02 0.00 0.00 41.12 40.84 1fdi n ASP 643 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1fdi n ARG 644 N -0.72 0.45 -2.11 -1.24 1.74 -1.26 -4.92 116.66 108.60 1fdi n ARG 644 Ca 0.50 0.18 -0.35 0.00 -0.77 0.00 0.00 57.85 57.41 1fdi n ARG 644 Cb 1.52 -1.26 0.02 0.00 -1.02 0.00 0.00 32.46 31.72 1fdi n ARG 644 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1fdi s PRO 645 N -2.38 3.13 0.04 5.56 0.04 -1.26 -2.01 135.00 138.12 1fdi s PRO 645 Ca -0.29 1.72 -0.31 0.00 0.04 0.00 0.00 61.00 62.17 1fdi s PRO 645 Cb 0.11 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.62 1fdi s PRO 645 CO 0.38 -1.05 1.32 0.54 0.04 0.00 0.00 177.00 178.22 1fdi s ASN 646 N -1.70 6.93 -0.04 6.66 4.22 -1.26 -4.58 114.94 125.17 1fdi s ASN 646 Ca 0.75 2.11 -0.31 0.00 -2.14 0.00 0.00 52.86 53.27 1fdi s ASN 646 Cb -0.27 -2.57 -0.09 0.00 1.28 0.00 0.00 41.25 39.59 1fdi s ASN 646 CO 0.31 -0.61 1.99 1.17 -2.04 0.00 0.00 177.10 177.92 1fdi n LYS 647 N 4.52 2.55 0.00 3.55 4.81 -1.26 -1.45 118.16 130.88 1fdi n LYS 647 Ca 0.11 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.46 1fdi n LYS 647 Cb 0.44 -2.94 0.00 0.00 0.02 0.00 0.00 35.03 32.55 1fdi n LYS 647 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fdi n GLY 648 N 4.73 3.76 3.52 3.14 0.00 -1.26 -5.08 105.19 114.00 1fdi n GLY 648 Ca 0.22 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 1fdi n GLY 648 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fdi s ALA 649 N 0.00 2.84 0.50 4.61 0.00 -0.53 -1.88 121.76 127.29 1fdi s ALA 649 Ca 0.00 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 50.29 1fdi s ALA 649 Cb 0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1fdi s ALA 649 CO 0.00 0.35 0.01 0.96 0.00 0.00 0.00 175.76 177.08 1fdi s ILE 650 N -2.11 1.19 -0.06 0.00 -4.36 0.16 -4.32 121.20 111.70 1fdi s ILE 650 Ca 0.27 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.63 1fdi s ILE 650 Cb -0.07 -2.24 0.04 0.00 1.25 0.00 0.00 42.46 41.44 1fdi s ILE 650 CO 0.15 0.00 0.14 -0.31 0.24 0.00 0.00 174.94 175.16 1fdi s TYR 651 N -2.89 -0.15 0.19 1.37 1.51 -1.17 -2.22 117.35 114.00 1fdi s TYR 651 Ca 0.09 0.46 0.03 0.00 -1.01 0.00 0.00 57.07 56.65 1fdi s TYR 651 Cb 0.02 -0.10 -0.05 0.00 -0.11 0.00 0.00 41.96 41.73 1fdi s TYR 651 CO 0.05 -0.16 -0.03 -1.64 -1.11 0.00 0.00 175.55 172.65 1fdi s MET 652 N 1.19 1.21 0.48 -0.62 -1.94 -1.17 -1.12 119.30 117.32 1fdi s MET 652 Ca -0.09 -1.58 0.05 0.00 -1.71 0.00 0.00 55.69 52.36 1fdi s MET 652 Cb -0.12 -0.55 -0.02 0.00 2.01 0.00 0.00 34.83 36.15 1fdi s MET 652 CO -0.06 -0.05 0.17 0.95 -0.01 0.00 0.00 175.02 176.02 1fdi s THR 653 N -3.43 1.75 -0.18 2.05 -4.23 -1.26 0.08 115.64 110.41 1fdi s THR 653 Ca 0.24 -1.77 0.16 0.00 -1.18 0.00 0.00 61.69 59.15 1fdi s THR 653 Cb 0.05 -2.52 0.46 0.00 1.34 0.00 0.00 72.50 71.83 1fdi s THR 653 CO 0.05 0.00 1.35 0.00 -0.54 0.00 0.00 174.62 175.48 1fdi n TYR 654 N -1.36 0.67 0.62 3.99 4.11 -1.22 -3.84 117.16 120.13 1fdi n TYR 654 Ca -0.07 -1.03 0.12 0.00 -0.00 0.00 0.00 57.90 56.91 1fdi n TYR 654 Cb 0.65 -0.29 0.09 0.00 -0.00 0.00 0.00 39.34 39.79 1fdi n TYR 654 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 1fdi n GLN 655 N -0.88 0.26 -3.44 -3.48 6.02 -1.25 -4.67 117.38 109.94 1fdi n GLN 655 Ca 0.21 0.03 -0.37 0.00 -0.01 0.00 0.00 57.00 56.86 1fdi n GLN 655 Cb 0.84 -1.61 -0.06 0.00 1.02 0.00 0.00 30.24 30.42 1fdi n GLN 655 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1fdi s TRP 656 N -3.16 3.54 0.14 1.08 0.52 -1.26 -4.42 118.94 115.37 1fdi s TRP 656 Ca 0.05 0.79 -0.06 0.00 0.02 0.00 0.00 56.10 56.90 1fdi s TRP 656 Cb 0.14 -2.41 -0.04 0.00 -1.15 0.00 0.00 33.47 30.02 1fdi s TRP 656 CO 0.77 0.30 1.38 -1.49 0.02 0.00 0.00 176.95 177.92 1fdi h TRP 657 N 6.28 0.79 0.00 -1.98 4.06 -1.91 -3.26 115.95 119.94 1fdi h TRP 657 Ca -0.43 -0.35 0.00 0.00 2.06 0.00 0.00 58.89 60.17 1fdi h TRP 657 Cb 1.18 -0.12 0.00 0.00 -1.00 0.00 0.00 29.16 29.22 1fdi h TRP 657 CO 0.63 1.14 0.00 -0.89 -3.56 0.00 0.00 178.44 175.76 1fdi n ILE 658 N -3.89 0.00 -1.24 1.49 2.08 -1.26 -4.09 119.36 112.45 1fdi n ILE 658 Ca -0.06 0.45 -0.36 0.00 0.56 0.00 0.00 62.75 63.34 1fdi n ILE 658 Cb 0.72 -1.33 -0.02 0.00 -0.75 0.00 0.00 39.64 38.26 1fdi n ILE 658 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1fdi n GLY 659 N 2.04 3.84 3.56 7.39 0.00 -1.17 -4.83 105.19 116.01 1fdi n GLY 659 Ca 0.00 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 1fdi n GLY 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fdi s ALA 660 N 2.98 1.88 0.23 4.61 0.00 -1.23 -4.70 121.76 125.53 1fdi s ALA 660 Ca 0.56 -1.46 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 1fdi s ALA 660 Cb 0.15 -4.51 0.38 0.00 0.00 0.00 0.00 23.12 19.14 1fdi s ALA 660 CO -0.04 -4.51 1.64 0.00 0.00 0.00 0.00 175.76 172.85 1fdi h ASN 662 N 0.09 0.00 -0.54 0.00 2.35 -1.87 -1.61 115.58 114.01 1fdi h ASN 662 Ca 0.38 0.00 0.16 0.00 -0.55 0.00 0.00 56.30 56.28 1fdi h ASN 662 Cb 0.64 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 1fdi h ASN 662 CO -0.64 0.00 0.55 -0.08 -1.65 0.00 0.00 177.43 175.61 1fdi h GLU 663 N 0.00 0.00 -0.08 0.81 4.22 -0.79 -0.20 114.58 118.54 1fdi h GLU 663 Ca 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.64 1fdi h GLU 663 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1fdi h GLU 663 CO -0.00 0.00 -0.06 1.28 -2.18 0.00 0.00 179.01 178.05 1fdi n LEU 664 N -3.74 2.86 -4.55 1.64 4.77 -0.61 -3.97 117.00 113.40 1fdi n LEU 664 Ca 0.10 -3.21 -0.35 0.00 -0.03 0.00 0.00 56.01 52.53 1fdi n LEU 664 Cb 0.75 -0.48 -0.11 0.00 -2.33 0.00 0.00 43.42 41.25 1fdi n LEU 664 CO 0.29 0.81 -0.27 -0.69 -1.33 0.00 0.00 177.39 176.20 1fdi s VAL 665 N -2.93 4.55 0.19 4.08 1.01 -0.09 -4.52 120.40 122.69 1fdi s VAL 665 Ca 0.36 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 1fdi s VAL 665 Cb 0.31 -3.07 -0.08 0.00 0.00 0.00 0.00 36.38 33.54 1fdi s VAL 665 CO 0.03 0.41 0.98 -0.89 0.00 0.00 0.00 175.10 175.64 1fdi s THR 666 N 0.85 4.13 -0.62 3.92 2.01 -1.26 0.10 115.64 124.78 1fdi s THR 666 Ca 0.03 1.97 -0.25 0.00 0.31 0.00 0.00 61.69 63.76 1fdi s THR 666 Cb -0.14 -4.25 0.05 0.00 0.01 0.00 0.00 72.50 68.16 1fdi s THR 666 CO 0.02 0.40 1.03 -1.83 -0.69 0.00 0.00 174.62 173.56 1fdi s GLU 667 N -0.72 3.27 -0.99 4.92 -1.05 -1.26 -4.59 118.70 118.27 1fdi s GLU 667 Ca 0.44 -0.36 -0.01 0.00 -0.15 0.00 0.00 54.97 54.90 1fdi s GLU 667 Cb -0.26 -4.12 0.32 0.00 -0.44 0.00 0.00 34.13 29.63 1fdi s GLU 667 CO 0.32 -1.71 1.68 0.09 0.95 0.00 0.00 175.26 176.59 1fdi n ASN 668 N 7.96 6.91 -4.67 0.83 3.02 -1.26 -4.96 115.26 123.09 1fdi n ASN 668 Ca 0.01 -3.64 -0.62 0.00 -0.03 0.00 0.00 54.58 50.30 1fdi n ASN 668 Cb 0.47 -1.13 -0.09 0.00 -0.61 0.00 0.00 39.78 38.43 1fdi n ASN 668 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1fdi n LEU 669 N 0.16 1.22 -4.68 3.41 4.77 -1.22 -4.01 117.00 116.64 1fdi n LEU 669 Ca 0.42 1.15 -0.44 0.00 -0.03 0.00 0.00 56.01 57.11 1fdi n LEU 669 Cb 0.29 -0.97 -0.04 0.00 -2.33 0.00 0.00 43.42 40.37 1fdi n LEU 669 CO 0.54 -1.01 1.42 -1.54 -1.33 0.00 0.00 177.39 175.46 1fdi n SER 670 N 3.59 3.72 -0.32 -1.43 3.41 0.29 -4.58 113.62 118.29 1fdi n SER 670 Ca 0.26 1.00 0.15 0.00 -0.26 0.00 0.00 58.87 60.02 1fdi n SER 670 Cb 0.03 -1.48 0.30 0.00 -0.26 0.00 0.00 64.21 62.80 1fdi n SER 670 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1fdi h PRO 671 N 8.13 0.05 0.00 4.33 0.13 -1.87 0.25 132.00 143.02 1fdi h PRO 671 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1fdi h PRO 671 Cb 1.24 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1fdi h PRO 671 CO 0.93 0.03 0.00 -0.89 -0.23 0.00 0.00 178.00 177.85 1fdi n ILE 672 N -5.41 0.00 1.63 -3.56 5.41 -1.26 -4.22 119.36 111.95 1fdi n ILE 672 Ca 0.23 0.55 0.15 0.00 1.00 0.00 0.00 62.75 64.69 1fdi n ILE 672 Cb 0.76 -1.16 0.83 0.00 -0.71 0.00 0.00 39.64 39.35 1fdi n ILE 672 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1fdi n THR 673 N -0.41 0.00 -2.91 1.39 -2.24 -1.24 -4.95 114.28 103.93 1fdi n THR 673 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.75 1fdi n THR 673 Cb 0.00 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 1fdi n THR 673 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1fdi n LYS 674 N -1.18 -1.75 -4.68 -0.78 4.01 0.88 -4.90 118.16 109.75 1fdi n LYS 674 Ca 0.18 1.74 -0.23 0.00 -0.51 0.00 0.00 58.31 59.49 1fdi n LYS 674 Cb 0.19 -5.57 -0.15 0.00 -0.51 0.00 0.00 35.03 28.99 1fdi n LYS 674 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1fdi s THR 675 N -2.79 1.17 0.20 -0.18 2.01 -1.24 -4.63 115.64 110.18 1fdi s THR 675 Ca 0.11 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.19 1fdi s THR 675 Cb -0.03 -0.98 -0.08 0.00 0.01 0.00 0.00 72.50 71.41 1fdi s THR 675 CO 0.73 0.33 1.19 -2.16 -0.69 0.00 0.00 174.62 174.02 1fdi s PRO 676 N -0.25 4.50 -0.51 4.92 0.04 -1.26 0.10 135.00 142.55 1fdi s PRO 676 Ca 0.04 1.88 -0.05 0.00 0.04 0.00 0.00 61.00 62.90 1fdi s PRO 676 Cb -0.07 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.21 1fdi s PRO 676 CO -0.00 -0.06 2.98 -1.91 0.04 0.00 0.00 177.00 178.05 1fdi n GLU 677 N 2.31 2.65 0.24 4.56 2.13 -1.25 -4.49 120.64 126.77 1fdi n GLU 677 Ca 0.04 -2.10 0.11 0.00 0.66 0.00 0.00 57.16 55.86 1fdi n GLU 677 Cb 0.45 -2.20 0.58 0.00 0.27 0.00 0.00 31.44 30.53 1fdi n GLU 677 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 1fdi h TYR 678 N 3.32 0.00 -0.10 4.31 0.05 -1.85 -2.21 116.97 120.50 1fdi h TYR 678 Ca 0.40 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.18 1fdi h TYR 678 Cb 0.86 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.60 1fdi h TYR 678 CO 1.60 0.00 0.00 1.63 -1.05 0.00 0.00 178.16 180.34 1fdi n LYS 679 N -2.42 1.36 -3.39 4.88 4.76 -1.17 -2.37 118.16 119.81 1fdi n LYS 679 Ca -0.01 -0.55 -0.12 0.00 -2.87 0.00 0.00 58.31 54.76 1fdi n LYS 679 Cb 0.31 -1.29 -0.09 0.00 -1.84 0.00 0.00 35.03 32.12 1fdi n LYS 679 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1fdi s TYR 680 N -1.87 -0.68 -0.06 2.13 6.14 -0.83 -4.33 117.35 117.84 1fdi s TYR 680 Ca 0.26 0.65 -0.03 0.00 0.64 0.00 0.00 57.07 58.60 1fdi s TYR 680 Cb 0.13 -0.09 0.04 0.00 0.42 0.00 0.00 41.96 42.46 1fdi s TYR 680 CO 0.20 -0.70 0.12 0.00 0.64 0.00 0.00 175.55 175.82 1fdi s ALA 682 N 1.90 3.18 0.15 0.00 0.00 -1.26 0.22 121.76 125.94 1fdi s ALA 682 Ca -0.00 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.51 1fdi s ALA 682 Cb -0.12 -3.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.06 1fdi s ALA 682 CO -0.05 -2.11 -0.11 0.14 0.00 0.00 0.00 175.76 173.63 1fdi s VAL 683 N 5.69 1.23 -0.20 0.00 -7.23 -1.01 -4.68 120.40 114.21 1fdi s VAL 683 Ca 0.76 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.92 1fdi s VAL 683 Cb -0.26 -1.81 0.04 0.00 0.56 0.00 0.00 36.38 34.91 1fdi s VAL 683 CO 0.31 -0.69 -0.11 -0.60 -0.31 0.00 0.00 175.10 173.70 1fdi s ARG 684 N -3.59 2.10 -0.64 4.82 3.52 -1.15 -3.77 118.95 120.24 1fdi s ARG 684 Ca 0.16 -0.83 -0.12 0.00 -0.13 0.00 0.00 55.73 54.80 1fdi s ARG 684 Cb 0.01 -2.41 0.16 0.00 -1.56 0.00 0.00 34.95 31.16 1fdi s ARG 684 CO 0.01 -0.41 0.56 0.08 -0.81 0.00 0.00 175.30 174.74 1fdi s VAL 685 N 1.39 4.98 -0.18 7.11 1.01 -1.25 -1.36 120.40 132.09 1fdi s VAL 685 Ca -0.01 -2.09 -0.11 0.00 0.00 0.00 0.00 61.98 59.77 1fdi s VAL 685 Cb -0.16 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 1fdi s VAL 685 CO -0.09 -0.91 0.18 -1.61 0.00 0.00 0.00 175.10 172.67 1fdi s GLU 686 N 0.82 4.17 0.86 2.72 8.01 -0.47 -4.91 118.70 129.91 1fdi s GLU 686 Ca 0.11 -0.13 -0.10 0.00 0.01 0.00 0.00 54.97 54.86 1fdi s GLU 686 Cb -0.21 -3.41 0.11 0.00 -4.31 0.00 0.00 34.13 26.32 1fdi s GLU 686 CO -0.03 0.31 1.13 -1.25 0.01 0.00 0.00 175.26 175.43 1fdi s PRO 687 N 0.31 1.46 -0.14 0.39 0.04 -1.26 -1.49 135.00 134.30 1fdi s PRO 687 Ca 0.11 1.41 -0.03 0.00 0.04 0.00 0.00 61.00 62.53 1fdi s PRO 687 Cb -0.12 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 1fdi s PRO 687 CO -0.00 -2.28 -0.03 0.42 0.04 0.00 0.00 177.00 175.15 1fdi s ILE 688 N -2.74 3.97 -0.01 0.56 1.01 -1.22 -4.77 121.20 118.01 1fdi s ILE 688 Ca 0.65 -0.34 -0.00 0.00 0.00 0.00 0.00 60.65 60.96 1fdi s ILE 688 Cb -0.21 -2.73 -0.00 0.00 0.01 0.00 0.00 42.46 39.53 1fdi s ILE 688 CO 0.57 0.51 -0.00 0.00 0.00 0.00 0.00 174.94 176.02 1fdi h ALA 689 N 6.44 0.00 -0.63 9.38 0.00 -1.96 -3.41 119.26 129.08 1fdi h ALA 689 Ca -0.35 -0.02 -0.49 0.00 0.00 0.00 0.00 54.91 54.06 1fdi h ALA 689 Cb 1.19 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1fdi h ALA 689 CO 0.62 0.00 1.58 -3.47 0.00 0.00 0.00 179.25 177.98 1fdi n ASP 690 N -2.24 3.90 -0.15 0.00 -0.08 -1.26 -4.78 116.55 111.94 1fdi n ASP 690 Ca -0.00 -2.80 -0.07 0.00 -1.51 0.00 0.00 54.79 50.42 1fdi n ASP 690 Cb 0.00 -1.74 0.02 0.00 2.34 0.00 0.00 41.12 41.74 1fdi n ASP 690 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1fdi h GLN 691 N 8.75 0.54 -1.02 -0.67 1.08 -1.94 -1.39 115.11 120.46 1fdi h GLN 691 Ca 0.32 -0.03 0.25 0.00 -1.45 0.00 0.00 58.65 57.74 1fdi h GLN 691 Cb 0.91 -0.12 -0.10 0.00 -0.05 0.00 0.00 27.48 28.12 1fdi h GLN 691 CO 1.33 0.36 0.64 0.00 -0.95 0.00 0.00 178.83 180.21 1fdi h ARG 692 N 0.55 0.46 -0.00 1.46 3.08 -1.99 0.71 114.38 118.65 1fdi h ARG 692 Ca 0.18 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 60.03 1fdi h ARG 692 Cb -0.00 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1fdi h ARG 692 CO -0.07 0.31 -0.79 0.00 -1.07 0.00 0.00 179.97 178.34 1fdi h ALA 693 N 1.64 0.68 -0.03 0.04 0.00 -1.68 -3.00 119.26 116.92 1fdi h ALA 693 Ca 0.59 -0.71 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1fdi h ALA 693 Cb 1.35 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1fdi h ALA 693 CO -0.33 0.96 -0.14 0.00 0.00 0.00 0.00 179.25 179.75 1fdi h ALA 694 N 1.18 0.06 -0.41 0.00 0.00 0.86 -2.36 119.26 118.58 1fdi h ALA 694 Ca -0.01 -0.38 0.12 0.00 0.00 0.00 0.00 54.91 54.63 1fdi h ALA 694 Cb 1.40 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1fdi h ALA 694 CO 0.11 -0.01 0.34 0.93 0.00 0.00 0.00 179.25 180.62 1fdi h GLU 695 N -0.45 0.00 0.10 0.00 4.39 -0.26 0.53 114.58 118.90 1fdi h GLU 695 Ca -0.01 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 1fdi h GLU 695 Cb 0.80 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 1fdi h GLU 695 CO 0.03 0.00 -1.31 0.37 -1.16 0.00 0.00 179.01 176.94 1fdi h GLN 696 N 0.00 0.22 0.65 2.33 5.75 -1.48 -2.97 115.11 119.60 1fdi h GLN 696 Ca 0.19 -0.37 -0.03 0.00 -0.15 0.00 0.00 58.65 58.29 1fdi h GLN 696 Cb 0.88 0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.57 1fdi h GLN 696 CO -0.00 1.13 -0.36 -0.92 -2.65 0.00 0.00 178.83 176.03 1fdi h TYR 697 N 0.06 -0.93 -0.38 3.99 3.20 0.52 0.47 116.97 123.89 1fdi h TYR 697 Ca -0.15 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.78 1fdi h TYR 697 Cb 1.96 0.32 -0.09 0.00 1.54 0.00 0.00 36.73 40.46 1fdi h TYR 697 CO 0.05 -0.56 -0.24 0.28 -1.64 0.00 0.00 178.16 176.05 1fdi h VAL 698 N -0.93 0.35 0.22 1.81 2.07 -1.08 0.62 116.25 119.30 1fdi h VAL 698 Ca -0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1fdi h VAL 698 Cb 0.74 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1fdi h VAL 698 CO 0.11 0.00 -0.25 0.40 0.02 0.00 0.00 177.57 177.86 1fdi h ILE 699 N -0.18 0.00 -0.66 4.57 2.04 -1.30 -0.79 117.51 121.18 1fdi h ILE 699 Ca 0.18 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.15 1fdi h ILE 699 Cb 0.47 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.43 1fdi h ILE 699 CO -0.49 0.00 -0.38 0.44 0.00 0.00 0.00 178.15 177.72 1fdi h ASP 700 N -0.47 -1.32 -0.85 1.72 3.32 0.22 0.95 116.42 119.99 1fdi h ASP 700 Ca -0.03 0.25 0.08 0.00 0.02 0.00 0.00 57.03 57.36 1fdi h ASP 700 Cb 0.42 0.64 -0.07 0.00 0.22 0.00 0.00 39.33 40.54 1fdi h ASP 700 CO -0.05 -0.31 0.51 -0.33 -1.72 0.00 0.00 179.24 177.34 1fdi h GLU 701 N -0.15 0.85 0.62 3.56 4.39 -0.72 0.66 114.58 123.80 1fdi h GLU 701 Ca 0.24 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.85 1fdi h GLU 701 Cb 0.56 -0.19 0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1fdi h GLU 701 CO -0.74 0.56 -0.30 -0.92 -1.16 0.00 0.00 179.01 176.45 1fdi h TYR 702 N 0.87 -0.78 -1.00 4.33 3.20 -0.02 -2.74 116.97 120.84 1fdi h TYR 702 Ca 0.40 -0.02 0.26 0.00 3.14 0.00 0.00 58.73 62.51 1fdi h TYR 702 Cb 0.30 0.26 -0.13 0.00 1.54 0.00 0.00 36.73 38.70 1fdi h TYR 702 CO -0.05 -0.44 0.58 -0.91 -1.64 0.00 0.00 178.16 175.70 1fdi h ASN 703 N -1.10 0.63 0.04 -2.11 4.21 -0.44 -0.41 115.58 116.40 1fdi h ASN 703 Ca -0.09 0.15 -0.00 0.00 1.21 0.00 0.00 56.30 57.57 1fdi h ASN 703 Cb 0.69 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.95 1fdi h ASN 703 CO 0.14 0.06 -0.02 0.11 -1.29 0.00 0.00 177.43 176.43 1fdi h LYS 704 N 0.53 -0.05 -0.53 0.81 1.57 -0.77 -1.22 116.57 116.90 1fdi h LYS 704 Ca 0.66 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.37 1fdi h LYS 704 Cb 1.30 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 1fdi h LYS 704 CO -0.50 -0.01 0.05 1.25 -0.57 0.00 0.00 179.45 179.67 1fdi h LEU 705 N -0.08 0.88 -1.03 2.94 5.85 -0.83 -1.09 115.31 121.96 1fdi h LEU 705 Ca -0.01 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.37 1fdi h LEU 705 Cb 0.07 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1fdi h LEU 705 CO 0.01 0.94 0.01 0.11 -0.34 0.00 0.00 178.44 179.17 1fdi h LYS 706 N 0.79 0.70 0.00 1.25 1.57 -1.04 -1.03 116.57 118.81 1fdi h LYS 706 Ca 0.16 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 1fdi h LYS 706 Cb 0.46 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1fdi h LYS 706 CO 0.02 0.71 -0.71 1.79 -0.57 0.00 0.00 179.45 180.69 1fdi h THR 707 N 0.66 1.45 0.54 -0.16 1.35 -1.13 -1.83 112.91 113.79 1fdi h THR 707 Ca 0.13 -2.49 -0.03 0.00 -0.55 0.00 0.00 66.41 63.48 1fdi h THR 707 Cb 0.40 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 1fdi h THR 707 CO 0.02 0.70 -0.28 -0.09 -0.25 0.00 0.00 175.52 175.61 1fdi h ARG 708 N 0.00 -0.73 -0.36 4.72 2.43 -0.50 -0.89 114.38 119.06 1fdi h ARG 708 Ca -0.01 0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1fdi h ARG 708 Cb 1.31 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 31.00 1fdi h ARG 708 CO 0.09 -0.48 0.20 -0.07 -1.51 0.00 0.00 179.97 178.19 1fdi h LEU 709 N -0.75 0.30 -0.41 3.80 3.38 -1.30 -2.78 115.31 117.56 1fdi h LEU 709 Ca -0.07 0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1fdi h LEU 709 Cb 0.59 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 1fdi h LEU 709 CO 0.11 0.22 -0.10 -0.09 0.09 0.00 0.00 178.44 178.67 1fdi h ARG 710 N 0.40 -0.00 0.47 1.13 2.43 -1.30 0.58 114.38 118.09 1fdi h ARG 710 Ca 0.15 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1fdi h ARG 710 Cb 0.03 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1fdi h ARG 710 CO -0.08 -0.00 -0.46 0.93 -1.51 0.00 0.00 179.97 178.84 1fdi h GLU 711 N -0.00 -0.91 -0.97 0.20 5.08 -0.99 -0.90 114.58 116.09 1fdi h GLU 711 Ca 0.19 0.06 0.23 0.00 -1.00 0.00 0.00 59.36 58.85 1fdi h GLU 711 Cb 0.30 0.21 -0.08 0.00 0.50 0.00 0.00 28.75 29.67 1fdi h GLU 711 CO -0.42 -0.61 0.63 0.00 -1.00 0.00 0.00 179.01 177.62 1fdi h ALA 712 N -0.71 2.20 -0.00 3.43 0.00 -1.12 0.93 119.26 123.99 1fdi h ALA 712 Ca -0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1fdi h ALA 712 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1fdi h ALA 712 CO -0.06 -0.54 -0.03 0.00 0.00 0.00 0.00 179.25 178.62 1fdi h ALA 713 N 1.61 0.01 -0.93 0.00 0.00 -0.56 -3.33 119.26 116.06 1fdi h ALA 713 Ca 0.53 -0.37 -0.58 0.00 0.00 0.00 0.00 54.91 54.49 1fdi h ALA 713 Cb 1.31 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.82 1fdi h ALA 713 CO -0.23 -0.11 0.75 1.28 0.00 0.00 0.00 179.25 180.93 1fdi n LEU 714 N -4.72 7.17 0.00 0.00 4.77 -0.37 -4.85 117.00 119.00 1fdi n LEU 714 Ca -0.09 -3.91 0.00 0.00 -0.03 0.00 0.00 56.01 51.98 1fdi n LEU 714 Cb 0.37 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1fdi n LEU 714 CO 0.35 1.28 0.18 0.00 -1.33 0.00 0.00 177.39 177.87