#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mma h PRO 3 N 0.00 0.71 0.00 1.20 0.13 -2.02 3.19 132.00 135.21 1mma h PRO 3 Ca 0.00 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.05 1mma h PRO 3 Cb 0.00 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 30.96 1mma h PRO 3 CO 0.00 0.47 -0.17 0.82 -0.23 0.00 0.00 178.00 178.89 1mma h ILE 4 N 0.73 0.60 0.00 -3.56 5.03 -1.98 -2.81 117.51 115.53 1mma h ILE 4 Ca 0.21 -0.77 -0.36 0.00 -0.12 0.00 0.00 64.86 63.82 1mma h ILE 4 Cb -0.04 1.50 -0.07 0.00 -3.03 0.00 0.00 36.82 35.17 1mma h ILE 4 CO -0.05 0.17 -2.37 1.41 -0.68 0.00 0.00 178.15 176.63 1mma n HIS 5 N -3.58 0.00 -2.51 1.37 8.25 -0.07 -4.85 115.22 113.83 1mma n HIS 5 Ca -0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.05 1mma n HIS 5 Cb 0.31 -0.98 -0.02 0.00 1.12 0.00 0.00 29.99 30.41 1mma n HIS 5 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1mma s ASP 6 N -5.51 6.45 0.09 0.41 2.15 1.04 -4.90 116.67 116.40 1mma s ASP 6 Ca -0.11 -1.74 0.04 0.00 0.43 0.00 0.00 52.55 51.17 1mma s ASP 6 Cb 0.06 -2.57 0.22 0.00 -0.30 0.00 0.00 42.92 40.33 1mma s ASP 6 CO 0.80 -1.56 0.97 0.54 -0.17 0.00 0.00 175.17 175.76 1mma n ARG 7 N 8.70 0.03 0.05 4.34 1.74 -1.26 0.11 116.66 130.36 1mma n ARG 7 Ca 0.39 0.40 0.11 0.00 -0.77 0.00 0.00 57.85 57.98 1mma n ARG 7 Cb 0.49 -1.79 -0.02 0.00 -1.02 0.00 0.00 32.46 30.12 1mma n ARG 7 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1mma n THR 8 N -1.54 0.30 -1.23 0.55 -1.04 -1.26 -4.55 114.28 105.50 1mma n THR 8 Ca -0.00 -0.40 -0.34 0.00 -2.04 0.00 0.00 64.05 61.26 1mma n THR 8 Cb 0.21 -0.04 0.11 0.00 -1.82 0.00 0.00 70.33 68.79 1mma n THR 8 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1mma n SER 9 N -2.28 0.94 -0.22 8.00 3.41 0.29 -4.81 113.62 118.95 1mma n SER 9 Ca 0.00 0.63 0.03 0.00 -0.26 0.00 0.00 58.87 59.27 1mma n SER 9 Cb 0.50 -1.48 0.28 0.00 -0.26 0.00 0.00 64.21 63.25 1mma n SER 9 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1mma h ASP 10 N -0.59 0.80 -0.79 4.04 5.19 -1.92 -1.67 116.42 121.48 1mma h ASP 10 Ca -0.47 -0.01 0.18 0.00 -0.62 0.00 0.00 57.03 56.11 1mma h ASP 10 Cb 1.31 -0.18 -0.14 0.00 0.18 0.00 0.00 39.33 40.49 1mma h ASP 10 CO 0.47 0.55 -0.07 0.22 -3.12 0.00 0.00 179.24 177.28 1mma h TYR 11 N 0.93 -0.19 0.05 4.55 3.20 -1.88 0.58 116.97 124.21 1mma h TYR 11 Ca 0.31 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 62.24 1mma h TYR 11 Cb 0.08 0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1mma h TYR 11 CO -0.00 -0.30 -0.03 0.45 -1.64 0.00 0.00 178.16 176.64 1mma h HIS 12 N 0.05 -0.07 0.11 -3.82 3.86 -1.56 -1.39 115.15 112.34 1mma h HIS 12 Ca 0.42 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.64 1mma h HIS 12 Cb 0.73 0.02 -0.05 0.00 1.06 0.00 0.00 27.41 29.17 1mma h HIS 12 CO -0.51 0.36 -0.52 -0.22 0.86 0.00 0.00 177.93 177.90 1mma h LYS 13 N -0.51 -0.72 0.00 2.45 3.64 -0.45 -0.50 116.57 120.47 1mma h LYS 13 Ca -0.01 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1mma h LYS 13 Cb 0.46 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1mma h LYS 13 CO 0.01 -0.48 -0.30 0.66 -2.27 0.00 0.00 179.45 177.07 1mma n TYR 14 N -5.49 0.62 0.00 1.91 4.01 0.18 -4.28 117.16 114.11 1mma n TYR 14 Ca -0.08 0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 1mma n TYR 14 Cb 0.41 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 38.71 1mma n TYR 14 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1mma n LEU 15 N -2.07 0.00 -4.39 7.72 4.77 -0.52 -4.78 117.00 117.72 1mma n LEU 15 Ca 0.05 -0.38 -0.26 0.00 -0.03 0.00 0.00 56.01 55.39 1mma n LEU 15 Cb 0.42 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.39 1mma n LEU 15 CO 0.33 0.00 -0.53 -0.54 -1.33 0.00 0.00 177.39 175.32 1mma s LYS 16 N -1.22 1.43 -0.16 3.23 -0.14 -0.20 -4.73 119.74 117.94 1mma s LYS 16 Ca 0.00 -1.45 -0.29 0.00 -1.36 0.00 0.00 55.97 52.87 1mma s LYS 16 Cb 0.00 -1.74 -0.01 0.00 -1.68 0.00 0.00 37.83 34.39 1mma s LYS 16 CO 0.00 0.38 1.20 0.08 -0.76 0.00 0.00 175.35 176.26 1mma s VAL 17 N -1.57 4.37 0.02 3.17 1.01 -1.26 -4.70 120.40 121.45 1mma s VAL 17 Ca 0.18 1.66 -0.38 0.00 0.00 0.00 0.00 61.98 63.43 1mma s VAL 17 Cb -0.08 -4.07 -0.18 0.00 0.00 0.00 0.00 36.38 32.05 1mma s VAL 17 CO 0.08 -0.12 1.25 1.17 0.00 0.00 0.00 175.10 177.48 1mma n LYS 18 N 6.33 0.65 -3.29 2.72 4.81 -1.26 -4.96 118.16 123.16 1mma n LYS 18 Ca 0.13 0.24 -0.41 0.00 -0.87 0.00 0.00 58.31 57.40 1mma n LYS 18 Cb 0.45 -1.82 -0.08 0.00 0.02 0.00 0.00 35.03 33.60 1mma n LYS 18 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1mma s GLN 19 N 0.47 3.61 -1.05 1.64 -0.21 -1.26 -4.97 119.66 117.89 1mma s GLN 19 Ca 0.88 -0.23 -0.11 0.00 0.02 0.00 0.00 55.36 55.91 1mma s GLN 19 Cb -1.10 -3.80 0.24 0.00 1.00 0.00 0.00 33.01 29.35 1mma s GLN 19 CO 0.53 -0.60 1.08 0.20 -2.12 0.00 0.00 175.29 174.38 1mma s GLY 20 N 1.75 2.92 -0.47 3.09 0.00 -1.26 -5.01 107.32 108.34 1mma s GLY 20 Ca 0.16 -3.60 -0.28 0.00 0.00 0.00 0.00 44.72 41.01 1mma s GLY 20 CO 0.13 1.45 1.77 0.99 0.00 0.00 0.00 173.10 177.44 1mma s ASP 21 N 1.85 5.68 0.14 1.64 1.11 -1.26 -4.83 116.67 121.00 1mma s ASP 21 Ca 0.30 0.80 0.22 0.00 0.18 0.00 0.00 52.55 54.04 1mma s ASP 21 Cb -0.09 -2.53 -0.08 0.00 1.07 0.00 0.00 42.92 41.30 1mma s ASP 21 CO -0.07 -1.97 0.91 -1.54 1.18 0.00 0.00 175.17 173.68 1mma n SER 22 N 11.17 0.70 -3.67 0.27 3.41 -1.26 -5.36 113.62 118.89 1mma n SER 22 Ca 0.21 0.27 -0.26 0.00 -0.26 0.00 0.00 58.87 58.83 1mma n SER 22 Cb 0.49 0.68 -0.07 0.00 -0.26 0.00 0.00 64.21 65.05 1mma n SER 22 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1mma n ASP 23 N -2.63 0.22 -2.89 4.04 5.75 -1.26 -5.37 116.55 114.41 1mma n ASP 23 Ca -0.02 -1.72 -0.10 0.00 -0.01 0.00 0.00 54.79 52.94 1mma n ASP 23 Cb 0.59 -0.31 -0.01 0.00 -1.03 0.00 0.00 41.12 40.37 1mma n ASP 23 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1mma n ASP 31 N 6.75 -2.66 -1.63 -1.12 -0.08 -1.26 -5.33 116.55 111.22 1mma n ASP 31 Ca 0.28 -2.89 -0.04 0.00 -1.51 0.00 0.00 54.79 50.62 1mma n ASP 31 Cb 0.34 1.25 -0.01 0.00 2.34 0.00 0.00 41.12 45.04 1mma n ASP 31 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1mma n LYS 32 N 2.59 0.27 -3.15 -0.67 4.76 -1.26 -5.17 118.16 115.53 1mma n LYS 32 Ca 0.18 -0.87 0.04 0.00 -2.87 0.00 0.00 58.31 54.80 1mma n LYS 32 Cb 0.56 0.89 -0.01 0.00 -1.84 0.00 0.00 35.03 34.63 1mma n LYS 32 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1mma s ARG 33 N -2.20 0.52 0.50 1.97 1.04 -1.26 -5.05 118.95 114.47 1mma s ARG 33 Ca 0.08 0.84 0.03 0.00 -1.04 0.00 0.00 55.73 55.65 1mma s ARG 33 Cb -0.01 0.46 0.02 0.00 -2.04 0.00 0.00 34.95 33.38 1mma s ARG 33 CO 0.06 -0.65 0.70 0.71 -0.04 0.00 0.00 175.30 176.08 1mma s TYR 34 N 2.87 2.89 0.08 5.89 2.02 -1.26 -0.32 117.35 129.52 1mma s TYR 34 Ca 0.17 -0.10 -0.04 0.00 -0.37 0.00 0.00 57.07 56.72 1mma s TYR 34 Cb -0.13 -2.58 -0.02 0.00 -0.40 0.00 0.00 41.96 38.82 1mma s TYR 34 CO -0.21 -0.67 0.08 0.42 -1.57 0.00 0.00 175.55 173.61 1mma s ILE 35 N -2.61 0.17 -0.34 2.71 1.01 0.16 -0.88 121.20 121.42 1mma s ILE 35 Ca 0.55 -1.57 -0.10 0.00 0.00 0.00 0.00 60.65 59.54 1mma s ILE 35 Cb -0.10 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.84 1mma s ILE 35 CO 0.37 -0.76 0.17 0.26 0.00 0.00 0.00 174.94 174.97 1mma s TRP 36 N -3.92 3.21 0.23 3.97 0.52 -0.59 -0.84 118.94 121.52 1mma s TRP 36 Ca 0.09 -0.80 0.11 0.00 0.02 0.00 0.00 56.10 55.52 1mma s TRP 36 Cb 0.06 -2.38 -0.05 0.00 -1.15 0.00 0.00 33.47 29.96 1mma s TRP 36 CO -0.08 -0.56 -0.20 1.52 0.02 0.00 0.00 176.95 177.65 1mma s TYR 37 N 1.57 2.34 -0.31 -1.98 1.13 0.33 -4.59 117.35 115.85 1mma s TYR 37 Ca 0.03 -0.33 -0.06 0.00 -1.41 0.00 0.00 57.07 55.30 1mma s TYR 37 Cb -0.18 -1.09 0.03 0.00 -1.10 0.00 0.00 41.96 39.62 1mma s TYR 37 CO 0.06 0.60 0.07 0.54 -2.51 0.00 0.00 175.55 174.31 1mma s ASN 38 N -3.10 5.10 0.00 -0.18 2.20 -1.26 0.36 114.94 118.06 1mma s ASN 38 Ca 0.26 -0.94 0.00 0.00 -0.94 0.00 0.00 52.86 51.23 1mma s ASN 38 Cb -0.07 -1.84 0.00 0.00 -2.00 0.00 0.00 41.25 37.34 1mma s ASN 38 CO 0.13 -0.25 0.18 -0.81 -2.94 0.00 0.00 177.10 173.41 1mma n PRO 39 N 4.81 0.19 -3.08 3.55 -0.04 -1.25 -3.90 135.00 135.28 1mma n PRO 39 Ca -0.14 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.34 1mma n PRO 39 Cb 0.46 -1.01 -0.00 0.00 -0.04 0.00 0.00 33.50 32.91 1mma n PRO 39 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1mma s ASP 40 N -1.71 -1.12 0.45 3.54 2.15 -1.26 -5.01 116.67 113.72 1mma s ASP 40 Ca 0.00 -0.36 0.14 0.00 0.43 0.00 0.00 52.55 52.76 1mma s ASP 40 Cb 0.00 1.50 0.74 0.00 -0.30 0.00 0.00 42.92 44.85 1mma s ASP 40 CO 0.00 -0.15 1.33 1.55 -0.17 0.00 0.00 175.17 177.73 1mma h PRO 41 N 6.79 0.00 0.00 4.34 0.13 -1.97 4.17 132.00 145.47 1mma h PRO 41 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1mma h PRO 41 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1mma h PRO 41 CO 0.04 0.00 -0.05 0.87 -0.23 0.00 0.00 178.00 178.63 1mma h LYS 42 N 0.00 0.00 -2.93 0.86 1.79 -1.95 -3.33 116.57 111.02 1mma h LYS 42 Ca 0.00 0.00 -0.72 0.00 -2.18 0.00 0.00 60.65 57.75 1mma h LYS 42 Cb 0.94 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 31.25 1mma h LYS 42 CO 0.00 0.00 0.15 0.39 -1.08 0.00 0.00 179.45 178.91 1mma n GLU 43 N -2.81 3.35 0.32 3.15 -0.58 1.37 -4.88 120.64 120.56 1mma n GLU 43 Ca 0.04 -4.55 0.22 0.00 -0.42 0.00 0.00 57.16 52.45 1mma n GLU 43 Cb 0.50 -2.42 1.11 0.00 -0.57 0.00 0.00 31.44 30.06 1mma n GLU 43 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 1mma h ARG 44 N 5.41 0.00 -0.58 3.49 0.11 -1.69 -2.11 114.38 119.01 1mma h ARG 44 Ca 0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.27 1mma h ARG 44 Cb 0.71 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.79 1mma h ARG 44 CO 1.04 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.86 1mma n ASP 45 N -3.06 3.55 -3.94 0.08 8.00 -1.26 -4.73 116.55 115.19 1mma n ASP 45 Ca -0.02 -2.00 -0.30 0.00 0.71 0.00 0.00 54.79 53.18 1mma n ASP 45 Cb 0.11 -0.39 -0.11 0.00 -0.02 0.00 0.00 41.12 40.71 1mma n ASP 45 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1mma s SER 46 N -1.00 4.96 0.64 -2.24 0.15 -0.80 -4.44 113.70 110.97 1mma s SER 46 Ca 0.39 -3.73 -0.09 0.00 0.70 0.00 0.00 55.95 53.22 1mma s SER 46 Cb 0.20 -1.68 0.01 0.00 -1.71 0.00 0.00 66.02 62.83 1mma s SER 46 CO 0.26 -0.12 1.00 -0.31 1.20 0.00 0.00 173.24 175.27 1mma s TYR 47 N -1.29 3.32 0.11 3.44 1.51 -1.25 -3.76 117.35 119.42 1mma s TYR 47 Ca 0.24 0.88 0.01 0.00 -1.01 0.00 0.00 57.07 57.19 1mma s TYR 47 Cb -0.08 -2.88 -0.04 0.00 -0.11 0.00 0.00 41.96 38.85 1mma s TYR 47 CO -0.14 -0.97 -0.03 -1.21 -1.11 0.00 0.00 175.55 172.09 1mma s GLU 48 N -5.17 0.85 -0.06 -0.62 0.41 1.14 -4.89 118.70 110.37 1mma s GLU 48 Ca 0.56 -1.36 -0.04 0.00 -0.41 0.00 0.00 54.97 53.72 1mma s GLU 48 Cb -0.11 -0.09 -0.04 0.00 -1.78 0.00 0.00 34.13 32.11 1mma s GLU 48 CO 0.49 -0.08 0.13 0.00 -0.49 0.00 0.00 175.26 175.31 1mma s GLY 50 N -1.47 0.12 0.18 0.00 0.00 -0.02 -4.60 107.32 101.53 1mma s GLY 50 Ca 0.21 -0.30 -0.18 0.00 0.00 0.00 0.00 44.72 44.45 1mma s GLY 50 CO 0.11 -0.41 0.65 -0.54 0.00 0.00 0.00 173.10 172.91 1mma s GLU 51 N -1.35 4.15 -0.44 2.90 2.02 -1.25 0.35 118.70 125.09 1mma s GLU 51 Ca -0.15 0.72 -0.23 0.00 0.02 0.00 0.00 54.97 55.34 1mma s GLU 51 Cb -0.08 -2.93 0.02 0.00 0.10 0.00 0.00 34.13 31.24 1mma s GLU 51 CO 0.00 0.45 0.78 0.42 0.02 0.00 0.00 175.26 176.94 1mma s ILE 52 N -1.46 4.66 0.25 -1.63 1.01 0.57 -1.18 121.20 123.42 1mma s ILE 52 Ca 0.40 0.49 0.03 0.00 0.00 0.00 0.00 60.65 61.57 1mma s ILE 52 Cb -0.16 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.00 1mma s ILE 52 CO 0.20 -0.68 1.62 0.58 0.00 0.00 0.00 174.94 176.67 1mma h VAL 53 N 5.95 1.32 -1.83 2.92 2.07 -0.27 -3.42 116.25 122.99 1mma h VAL 53 Ca -0.25 -1.65 0.24 0.00 0.82 0.00 0.00 66.70 65.86 1mma h VAL 53 Cb 1.09 1.72 -0.12 0.00 -1.52 0.00 0.00 31.29 32.45 1mma h VAL 53 CO 0.95 0.50 0.68 -0.55 0.02 0.00 0.00 177.57 179.17 1mma s SER 54 N -6.88 -0.15 0.53 0.57 0.15 -1.05 -5.04 113.70 101.83 1mma s SER 54 Ca -0.05 -0.18 0.05 0.00 0.70 0.00 0.00 55.95 56.46 1mma s SER 54 Cb 0.13 0.29 0.02 0.00 -1.71 0.00 0.00 66.02 64.75 1mma s SER 54 CO 0.80 -0.51 0.31 -1.83 1.20 0.00 0.00 173.24 173.20 1mma s GLU 55 N -2.78 2.24 -0.27 5.44 -1.05 -1.26 -0.32 118.70 120.71 1mma s GLU 55 Ca 0.12 -2.10 -0.16 0.00 -0.15 0.00 0.00 54.97 52.68 1mma s GLU 55 Cb 0.01 -1.97 0.08 0.00 -0.44 0.00 0.00 34.13 31.81 1mma s GLU 55 CO -0.03 -0.55 0.67 0.95 0.95 0.00 0.00 175.26 177.26 1mma s THR 56 N -2.79 -0.00 0.47 1.83 -4.23 -0.95 -4.93 115.64 105.04 1mma s THR 56 Ca 0.28 0.01 0.34 0.00 -1.18 0.00 0.00 61.69 61.14 1mma s THR 56 Cb -0.01 -0.97 0.50 0.00 1.34 0.00 0.00 72.50 73.36 1mma s THR 56 CO 0.17 0.00 1.20 -0.24 -0.54 0.00 0.00 174.62 175.21 1mma n SER 57 N 4.26 0.00 0.02 3.99 2.88 -1.26 0.72 113.62 124.23 1mma n SER 57 Ca -0.20 0.74 -0.14 0.00 -1.33 0.00 0.00 58.87 57.95 1mma n SER 57 Cb 0.59 -0.34 -0.14 0.00 -0.75 0.00 0.00 64.21 63.57 1mma n SER 57 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1mma h ASP 58 N 0.00 0.21 -0.78 -3.46 1.82 -1.99 -3.47 116.42 108.74 1mma h ASP 58 Ca 0.64 -0.37 0.00 0.00 -0.39 0.00 0.00 57.03 56.91 1mma h ASP 58 Cb 2.85 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 42.79 1mma h ASP 58 CO -0.01 1.32 0.00 -1.20 -1.61 0.00 0.00 179.24 177.74 1mma n SER 59 N -3.29 0.00 -4.05 2.28 7.64 0.22 -3.07 113.62 113.37 1mma n SER 59 Ca -0.19 -0.50 -0.13 0.00 1.01 0.00 0.00 58.87 59.07 1mma n SER 59 Cb 1.04 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 64.12 1mma n SER 59 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1mma s PHE 60 N -3.52 0.61 -0.13 1.43 0.08 0.27 -2.24 117.98 114.48 1mma s PHE 60 Ca 0.00 -0.48 -0.02 0.00 0.12 0.00 0.00 56.93 56.55 1mma s PHE 60 Cb 0.00 -0.37 0.04 0.00 -0.57 0.00 0.00 43.02 42.12 1mma s PHE 60 CO 0.00 -0.09 0.02 0.99 -0.10 0.00 0.00 175.22 176.04 1mma s THR 61 N -1.31 0.43 0.00 0.64 2.01 0.57 -2.12 115.64 115.86 1mma s THR 61 Ca -0.10 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1mma s THR 61 Cb -0.09 -0.75 0.00 0.00 0.01 0.00 0.00 72.50 71.66 1mma s THR 61 CO 0.00 0.04 0.00 2.22 -0.69 0.00 0.00 174.62 176.19 1mma n PHE 62 N 5.11 0.00 -3.56 4.92 -1.74 -1.11 0.46 117.46 121.53 1mma n PHE 62 Ca -0.08 0.00 -0.25 0.00 -0.56 0.00 0.00 57.45 56.56 1mma n PHE 62 Cb 0.49 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.33 1mma n PHE 62 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 1mma s LYS 63 N 2.39 0.13 1.10 3.97 2.36 -0.32 -3.62 119.74 125.74 1mma s LYS 63 Ca 0.00 -0.15 -0.21 0.00 -2.55 0.00 0.00 55.97 53.06 1mma s LYS 63 Cb 0.00 -1.51 0.05 0.00 -1.05 0.00 0.00 37.83 35.32 1mma s LYS 63 CO 0.00 -0.77 -0.33 0.25 1.55 0.00 0.00 175.35 176.05 1mma n THR 64 N 5.28 0.00 -0.27 3.43 -2.24 -1.26 -3.92 114.28 115.30 1mma n THR 64 Ca -0.06 -0.24 0.01 0.00 -2.27 0.00 0.00 64.05 61.49 1mma n THR 64 Cb 0.47 -0.48 0.13 0.00 -2.10 0.00 0.00 70.33 68.36 1mma n THR 64 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1mma h SER 65 N -1.87 0.66 0.55 3.42 0.87 -1.92 0.45 113.55 115.70 1mma h SER 65 Ca -0.51 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1mma h SER 65 Cb 1.36 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1mma h SER 65 CO 0.35 0.40 0.00 0.47 -0.53 0.00 0.00 176.83 177.52 1mma n ASP 66 N -4.74 0.64 -0.55 6.23 9.92 -1.26 -4.84 116.55 121.95 1mma n ASP 66 Ca 0.11 0.69 -0.04 0.00 -0.53 0.00 0.00 54.79 55.02 1mma n ASP 66 Cb 0.21 -0.81 0.00 0.00 -0.64 0.00 0.00 41.12 39.88 1mma n ASP 66 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mma n GLY 67 N -0.32 0.32 2.81 0.44 0.00 0.16 -5.00 105.19 103.59 1mma n GLY 67 Ca 0.01 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 1mma n GLY 67 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mma s GLN 68 N -4.41 1.31 0.59 1.61 1.11 -1.26 -4.82 119.66 113.79 1mma s GLN 68 Ca 0.02 -1.89 -0.12 0.00 0.01 0.00 0.00 55.36 53.39 1mma s GLN 68 Cb -0.01 -2.57 -0.10 0.00 -1.01 0.00 0.00 33.01 29.32 1mma s GLN 68 CO 0.03 -1.08 -0.42 -0.25 0.01 0.00 0.00 175.29 173.58 1mma n ASP 69 N 3.87 -3.70 -3.30 5.90 8.00 -1.26 -4.14 116.55 121.92 1mma n ASP 69 Ca 0.05 0.22 -0.13 0.00 0.71 0.00 0.00 54.79 55.64 1mma n ASP 69 Cb 0.37 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 1mma n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mma s ARG 70 N -1.18 1.91 -0.30 -1.24 1.70 -1.24 -4.86 118.95 113.74 1mma s ARG 70 Ca 0.31 -1.64 -0.10 0.00 -0.47 0.00 0.00 55.73 53.84 1mma s ARG 70 Cb -0.19 0.48 0.17 0.00 -0.57 0.00 0.00 34.95 34.84 1mma s ARG 70 CO 0.54 -0.81 0.87 1.14 -1.08 0.00 0.00 175.30 175.95 1mma s GLN 71 N -3.07 0.36 0.57 3.89 -2.07 -1.26 -2.75 119.66 115.34 1mma s GLN 71 Ca 0.27 0.75 0.08 0.00 -1.82 0.00 0.00 55.36 54.64 1mma s GLN 71 Cb -0.01 0.43 0.07 0.00 -1.09 0.00 0.00 33.01 32.41 1mma s GLN 71 CO 0.17 -0.29 0.64 0.14 -1.32 0.00 0.00 175.29 174.64 1mma s VAL 72 N 2.78 1.91 0.32 3.63 -7.23 -0.90 -4.89 120.40 116.02 1mma s VAL 72 Ca 0.04 -1.20 -0.12 0.00 -1.81 0.00 0.00 61.98 58.90 1mma s VAL 72 Cb -0.11 -2.11 -0.08 0.00 0.56 0.00 0.00 36.38 34.65 1mma s VAL 72 CO -0.16 0.00 0.69 -1.59 -0.31 0.00 0.00 175.10 173.72 1mma s LYS 73 N -4.52 3.87 0.13 4.82 0.00 -1.26 0.94 119.74 123.71 1mma s LYS 73 Ca 0.51 0.48 -0.26 0.00 0.00 0.00 0.00 55.97 56.70 1mma s LYS 73 Cb -0.04 -2.49 -0.03 0.00 0.00 0.00 0.00 37.83 35.27 1mma s LYS 73 CO 0.32 0.15 1.62 0.87 0.00 0.00 0.00 175.35 178.31 1mma h LYS 74 N 2.02 -0.38 0.00 1.78 1.57 -1.77 0.20 116.57 120.00 1mma h LYS 74 Ca -0.47 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1mma h LYS 74 Cb 1.18 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1mma h LYS 74 CO 0.66 -0.25 0.01 -0.25 -0.57 0.00 0.00 179.45 179.04 1mma n ASP 75 N -5.39 0.00 -0.14 0.86 9.92 -1.26 0.97 116.55 121.50 1mma n ASP 75 Ca -0.04 0.26 0.02 0.00 -0.53 0.00 0.00 54.79 54.51 1mma n ASP 75 Cb 0.31 -0.26 0.01 0.00 -0.64 0.00 0.00 41.12 40.54 1mma n ASP 75 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1mma n ASP 76 N -1.26 1.14 -4.68 -2.24 8.00 0.46 -5.03 116.55 112.94 1mma n ASP 76 Ca 0.00 -1.07 -0.42 0.00 0.71 0.00 0.00 54.79 54.01 1mma n ASP 76 Cb 0.01 0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 1mma n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mma s ALA 77 N -0.57 3.55 -1.09 2.24 0.00 0.27 -4.85 121.76 121.32 1mma s ALA 77 Ca 0.04 0.70 -0.02 0.00 0.00 0.00 0.00 51.96 52.68 1mma s ALA 77 Cb 0.04 -3.57 0.28 0.00 0.00 0.00 0.00 23.12 19.87 1mma s ALA 77 CO 0.08 -0.90 1.89 0.09 0.00 0.00 0.00 175.76 176.92 1mma n ASN 78 N 5.53 7.33 -4.56 0.00 3.02 -1.26 -5.03 115.26 120.28 1mma n ASN 78 Ca 0.12 -3.56 -0.46 0.00 -0.03 0.00 0.00 54.58 50.65 1mma n ASN 78 Cb 0.45 -1.22 -0.02 0.00 -0.61 0.00 0.00 39.78 38.38 1mma n ASN 78 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mma n GLN 79 N 0.46 1.13 -3.04 3.52 6.02 -1.26 -1.54 117.38 122.68 1mma n GLN 79 Ca 0.47 0.40 -0.40 0.00 -0.01 0.00 0.00 57.00 57.46 1mma n GLN 79 Cb 0.27 -1.76 -0.05 0.00 1.02 0.00 0.00 30.24 29.71 1mma n GLN 79 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1mma s ARG 80 N -1.15 4.25 0.76 -1.09 3.52 -0.06 -4.80 118.95 120.39 1mma s ARG 80 Ca 0.63 0.76 -0.14 0.00 -0.13 0.00 0.00 55.73 56.86 1mma s ARG 80 Cb -0.77 -3.57 0.06 0.00 -1.56 0.00 0.00 34.95 29.11 1mma s ARG 80 CO 0.57 -0.25 1.19 -0.80 -0.81 0.00 0.00 175.30 175.21 1mma s ASN 81 N 1.16 3.98 0.40 -2.12 0.01 -1.26 -4.65 114.94 112.46 1mma s ASN 81 Ca 0.32 2.31 -0.27 0.00 -0.71 0.00 0.00 52.86 54.51 1mma s ASN 81 Cb -0.16 -2.58 -0.10 0.00 0.41 0.00 0.00 41.25 38.82 1mma s ASN 81 CO 0.11 -2.40 1.47 -2.84 -1.51 0.00 0.00 177.10 171.93 1mma s PRO 82 N -4.08 3.95 0.53 -0.60 0.02 -1.26 -4.81 135.00 128.75 1mma s PRO 82 Ca 0.73 2.53 0.35 0.00 0.02 0.00 0.00 61.00 64.62 1mma s PRO 82 Cb -0.28 -2.86 1.51 0.00 0.02 0.00 0.00 34.50 32.90 1mma s PRO 82 CO 0.48 -0.64 1.81 0.82 -0.33 0.00 0.00 177.00 179.14 1mma h ILE 83 N 2.74 0.43 -0.08 2.83 5.03 -1.99 0.46 117.51 126.91 1mma h ILE 83 Ca -0.51 -0.01 0.02 0.00 -0.12 0.00 0.00 64.86 64.24 1mma h ILE 83 Cb 1.25 0.39 -0.00 0.00 -3.03 0.00 0.00 36.82 35.43 1mma h ILE 83 CO 0.63 0.01 0.08 0.11 -0.68 0.00 0.00 178.15 178.30 1mma h LYS 84 N 0.03 0.00 0.00 2.37 1.57 -2.01 0.19 116.57 118.72 1mma h LYS 84 Ca 0.56 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 1mma h LYS 84 Cb 2.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.47 1mma h LYS 84 CO -0.03 0.00 -0.05 1.19 -0.57 0.00 0.00 179.45 179.99 1mma n PHE 85 N -3.95 0.60 -1.55 -1.35 3.72 0.16 -4.75 117.46 110.34 1mma n PHE 85 Ca -0.01 0.17 -0.19 0.00 -0.05 0.00 0.00 57.45 57.37 1mma n PHE 85 Cb 0.19 -0.77 -0.09 0.00 -0.94 0.00 0.00 39.48 37.86 1mma n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1mma n ASP 86 N -2.00 1.32 0.00 4.37 8.00 0.66 -0.65 116.55 128.25 1mma n ASP 86 Ca 0.06 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1mma n ASP 86 Cb 0.40 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 1mma n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mma n GLY 87 N 6.47 1.20 3.58 0.44 0.00 -1.26 -5.00 105.19 110.63 1mma n GLY 87 Ca 0.49 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.14 1mma n GLY 87 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1mma n VAL 88 N -0.26 3.48 0.47 1.61 0.24 0.17 -4.89 118.33 119.16 1mma n VAL 88 Ca 0.00 -0.50 0.13 0.00 -2.04 0.00 0.00 64.34 61.93 1mma n VAL 88 Cb 0.00 -1.05 0.44 0.00 -1.47 0.00 0.00 33.84 31.77 1mma n VAL 88 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1mma h GLU 89 N 0.37 0.00 -3.82 7.34 5.08 -1.94 -3.43 114.58 118.18 1mma h GLU 89 Ca -0.48 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.47 1mma h GLU 89 Cb 1.37 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.27 1mma h GLU 89 CO 0.50 0.00 -0.76 0.34 -1.00 0.00 0.00 179.01 178.08 1mma s ASP 90 N -4.68 1.11 0.00 1.42 -1.08 -1.26 -1.73 116.67 110.44 1mma s ASP 90 Ca 0.07 -0.09 0.05 0.00 -0.52 0.00 0.00 52.55 52.06 1mma s ASP 90 Cb 0.10 -0.39 0.23 0.00 -1.46 0.00 0.00 42.92 41.40 1mma s ASP 90 CO 0.52 -0.12 1.05 0.23 0.52 0.00 0.00 175.17 177.36 1mma n MET 91 N 4.54 0.04 0.29 4.34 2.81 0.17 -1.78 117.12 127.53 1mma n MET 91 Ca -0.18 0.30 0.18 0.00 -1.81 0.00 0.00 57.70 56.20 1mma n MET 91 Cb 0.50 -1.50 0.87 0.00 -0.71 0.00 0.00 33.22 32.38 1mma n MET 91 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1mma h SER 92 N 0.00 0.00 1.45 7.83 0.02 -1.92 -2.94 113.55 117.99 1mma h SER 92 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1mma h SER 92 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1mma h SER 92 CO 0.00 0.03 -0.30 -0.33 -1.14 0.00 0.00 176.83 175.09 1mma h GLU 93 N 0.00 0.00 -7.11 3.45 5.08 -1.58 -3.43 114.58 110.99 1mma h GLU 93 Ca -0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1mma h GLU 93 Cb 0.31 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.69 1mma h GLU 93 CO 0.00 0.00 0.48 -0.51 -1.00 0.00 0.00 179.01 177.98 1mma s LEU 94 N -5.19 3.60 -0.07 1.33 1.43 -1.11 -4.92 118.68 113.75 1mma s LEU 94 Ca 0.07 2.45 -0.03 0.00 -1.03 0.00 0.00 54.13 55.59 1mma s LEU 94 Cb 0.10 -4.60 -0.02 0.00 0.03 0.00 0.00 46.19 41.70 1mma s LEU 94 CO 0.68 -1.78 0.14 0.28 0.23 0.00 0.00 176.35 175.90 1mma h SER 95 N 0.66 -0.09 -3.70 2.29 0.02 -1.90 -3.43 113.55 107.39 1mma h SER 95 Ca -0.50 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 59.88 1mma h SER 95 Cb 1.31 0.02 -0.08 0.00 0.14 0.00 0.00 62.40 63.79 1mma h SER 95 CO 0.54 0.29 0.86 -0.31 -1.14 0.00 0.00 176.83 177.07 1mma s TYR 96 N -1.82 2.84 -0.32 3.45 2.02 -1.26 -4.80 117.35 117.46 1mma s TYR 96 Ca -0.02 0.65 -0.09 0.00 -0.37 0.00 0.00 57.07 57.24 1mma s TYR 96 Cb 0.00 -4.35 0.01 0.00 -0.40 0.00 0.00 41.96 37.22 1mma s TYR 96 CO 0.05 -1.24 0.15 -0.51 -1.57 0.00 0.00 175.55 172.43 1mma s LEU 97 N 4.32 4.22 0.07 -1.29 2.01 -1.26 -4.71 118.68 122.04 1mma s LEU 97 Ca 0.46 -0.70 -0.26 0.00 0.01 0.00 0.00 54.13 53.64 1mma s LEU 97 Cb -0.08 -1.98 0.09 0.00 0.01 0.00 0.00 46.19 44.23 1mma s LEU 97 CO 0.31 -0.25 0.74 0.54 1.01 0.00 0.00 176.35 178.70 1mma s ASN 98 N 1.57 -0.48 0.11 2.29 4.22 -1.26 -4.96 114.94 116.42 1mma s ASN 98 Ca 0.03 0.06 -0.33 0.00 -2.14 0.00 0.00 52.86 50.48 1mma s ASN 98 Cb -0.18 0.50 -0.12 0.00 1.28 0.00 0.00 41.25 42.73 1mma s ASN 98 CO 0.06 -0.78 1.57 -0.33 -2.04 0.00 0.00 177.10 175.57 1mma h GLU 99 N 2.08 -0.67 -0.45 3.55 5.08 -1.97 -1.32 114.58 120.88 1mma h GLU 99 Ca -0.28 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1mma h GLU 99 Cb 1.27 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.63 1mma h GLU 99 CO 0.35 -0.45 0.21 -1.00 -1.00 0.00 0.00 179.01 177.12 1mma h PRO 100 N -0.70 0.41 -0.67 2.33 0.13 -1.97 0.15 132.00 131.68 1mma h PRO 100 Ca 0.01 -0.02 0.13 0.00 -0.87 0.00 0.00 66.00 65.25 1mma h PRO 100 Cb 0.72 -0.09 -0.10 0.00 0.13 0.00 0.00 31.00 31.67 1mma h PRO 100 CO -0.29 0.27 0.17 0.00 -0.23 0.00 0.00 178.00 177.92 1mma h ALA 101 N 1.25 0.85 -0.15 -0.56 0.00 -1.83 1.01 119.26 119.83 1mma h ALA 101 Ca 0.20 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1mma h ALA 101 Cb 0.13 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1mma h ALA 101 CO -0.16 -0.30 0.04 0.28 0.00 0.00 0.00 179.25 179.11 1mma h VAL 102 N 0.29 1.19 -0.39 0.00 2.07 -0.52 -2.19 116.25 116.70 1mma h VAL 102 Ca 0.36 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1mma h VAL 102 Cb 0.57 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1mma h VAL 102 CO -0.44 0.18 0.25 0.15 0.02 0.00 0.00 177.57 177.73 1mma h PHE 103 N 0.05 0.48 -0.44 1.57 3.57 0.74 -2.04 116.94 120.88 1mma h PHE 103 Ca 0.05 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.62 1mma h PHE 103 Cb 0.24 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 1mma h PHE 103 CO 0.00 0.30 0.13 1.25 -2.23 0.00 0.00 178.31 177.77 1mma h HIS 104 N 0.52 0.23 -0.48 0.41 2.76 0.12 -0.12 115.15 118.59 1mma h HIS 104 Ca 0.14 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 1mma h HIS 104 Cb -0.06 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 1mma h HIS 104 CO -0.05 0.06 0.28 -0.97 -1.30 0.00 0.00 177.93 175.95 1mma h ASN 105 N 0.29 0.58 -0.93 3.26 -1.24 -1.21 0.92 115.58 117.26 1mma h ASN 105 Ca 0.21 -0.07 0.06 0.00 0.71 0.00 0.00 56.30 57.22 1mma h ASN 105 Cb 0.23 -0.15 -0.06 0.00 0.73 0.00 0.00 38.32 39.07 1mma h ASN 105 CO -0.24 0.48 0.59 -0.07 -1.29 0.00 0.00 177.43 176.90 1mma h LEU 106 N 0.63 0.93 0.46 0.34 3.38 -0.80 -2.09 115.31 118.16 1mma h LEU 106 Ca 0.17 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1mma h LEU 106 Cb 0.01 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1mma h LEU 106 CO -0.03 0.59 -0.22 -0.09 0.09 0.00 0.00 178.44 178.78 1mma h ARG 107 N 1.06 -0.60 -0.96 1.13 2.43 -0.53 0.37 114.38 117.28 1mma h ARG 107 Ca 0.40 0.04 0.21 0.00 -0.81 0.00 0.00 59.98 59.82 1mma h ARG 107 Cb 0.18 0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 29.78 1mma h ARG 107 CO -0.18 -0.34 0.62 0.28 -1.51 0.00 0.00 179.97 178.84 1mma h VAL 108 N -0.74 0.67 0.06 0.20 2.07 -0.69 0.97 116.25 118.79 1mma h VAL 108 Ca -0.06 -0.18 -0.19 0.00 0.82 0.00 0.00 66.70 67.09 1mma h VAL 108 Cb 0.54 0.10 0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1mma h VAL 108 CO 0.10 0.09 -0.79 0.03 0.02 0.00 0.00 177.57 177.03 1mma h ARG 109 N 0.52 0.42 -0.69 1.57 3.08 -1.06 -3.20 114.38 115.02 1mma h ARG 109 Ca 0.52 -0.54 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1mma h ARG 109 Cb 1.14 0.17 -0.04 0.00 0.08 0.00 0.00 29.97 31.33 1mma h ARG 109 CO -0.25 1.20 0.45 -0.92 -1.07 0.00 0.00 179.97 179.38 1mma h TYR 110 N -0.11 0.84 0.00 3.04 3.20 0.17 0.93 116.97 125.05 1mma h TYR 110 Ca -0.12 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1mma h TYR 110 Cb 1.53 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 39.52 1mma h TYR 110 CO 0.16 0.52 -0.03 -0.91 -1.64 0.00 0.00 178.16 176.25 1mma h ASN 111 N 0.89 0.00 -0.61 -2.11 2.35 0.88 -0.80 115.58 116.19 1mma h ASN 111 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1mma h ASN 111 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1mma h ASN 111 CO -0.06 0.03 0.00 0.00 -1.65 0.00 0.00 177.43 175.75 1mma n GLN 112 N -4.03 2.76 -1.93 0.81 6.02 -0.60 -4.91 117.38 115.49 1mma n GLN 112 Ca -0.03 -2.34 -0.13 0.00 -0.01 0.00 0.00 57.00 54.48 1mma n GLN 112 Cb 0.12 -1.60 -0.03 0.00 1.02 0.00 0.00 30.24 29.75 1mma n GLN 112 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1mma n ASP 113 N 1.23 -4.31 -4.30 1.08 8.00 -0.30 -4.94 116.55 112.99 1mma n ASP 113 Ca 0.22 0.11 -0.46 0.00 0.71 0.00 0.00 54.79 55.37 1mma n ASP 113 Cb 0.62 -3.31 -0.03 0.00 -0.02 0.00 0.00 41.12 38.38 1mma n ASP 113 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1mma s LEU 114 N -3.54 6.57 0.18 0.64 1.43 0.31 -4.85 118.68 119.43 1mma s LEU 114 Ca 0.00 -2.76 0.23 0.00 -1.03 0.00 0.00 54.13 50.57 1mma s LEU 114 Cb 0.00 -2.17 0.90 0.00 0.03 0.00 0.00 46.19 44.95 1mma s LEU 114 CO 0.00 -0.53 1.71 2.30 0.23 0.00 0.00 176.35 180.05 1mma n ILE 115 N 3.84 0.72 -4.76 -0.59 -5.35 -1.26 -3.46 119.36 108.51 1mma n ILE 115 Ca 0.14 0.08 -0.33 0.00 -0.27 0.00 0.00 62.75 62.37 1mma n ILE 115 Cb 0.46 -0.93 -0.13 0.00 -1.74 0.00 0.00 39.64 37.30 1mma n ILE 115 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1mma s TYR 116 N -3.18 2.82 -0.05 4.28 2.02 -1.26 -1.82 117.35 120.16 1mma s TYR 116 Ca 0.07 -0.27 -0.14 0.00 -0.37 0.00 0.00 57.07 56.36 1mma s TYR 116 Cb 0.11 -1.74 0.03 0.00 -0.40 0.00 0.00 41.96 39.96 1mma s TYR 116 CO 0.43 0.09 0.33 0.99 -1.57 0.00 0.00 175.55 175.82 1mma s THR 117 N -0.35 0.04 0.14 -0.71 2.01 -0.09 -4.72 115.64 111.96 1mma s THR 117 Ca 0.04 -0.34 -0.03 0.00 0.31 0.00 0.00 61.69 61.67 1mma s THR 117 Cb -0.13 -0.59 -0.05 0.00 0.01 0.00 0.00 72.50 71.75 1mma s THR 117 CO 0.02 -0.19 0.35 -0.31 -0.69 0.00 0.00 174.62 173.81 1mma s TYR 118 N -0.92 3.48 -0.47 4.92 2.02 -0.71 0.98 117.35 126.66 1mma s TYR 118 Ca -0.10 0.44 0.04 0.00 -0.37 0.00 0.00 57.07 57.08 1mma s TYR 118 Cb -0.04 -1.92 0.16 0.00 -0.40 0.00 0.00 41.96 39.76 1mma s TYR 118 CO 0.03 0.45 0.35 0.45 -1.57 0.00 0.00 175.55 175.27 1mma s SER 119 N -2.65 2.54 1.89 2.29 0.15 0.17 0.41 113.70 118.50 1mma s SER 119 Ca 0.39 -3.13 0.00 0.00 0.70 0.00 0.00 55.95 53.92 1mma s SER 119 Cb -0.12 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.43 1mma s SER 119 CO 0.26 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1mma n GLY 120 N 2.82 4.04 0.24 9.45 0.00 -1.26 -1.54 105.19 118.94 1mma n GLY 120 Ca 0.24 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.41 1mma n GLY 120 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1mma h LEU 121 N 0.00 0.00 -9.82 0.99 3.38 -1.97 -3.44 115.31 104.45 1mma h LEU 121 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 1mma h LEU 121 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1mma h LEU 121 CO 0.00 0.19 0.35 -0.36 0.09 0.00 0.00 178.44 178.71 1mma s PHE 122 N -4.09 3.83 -0.43 1.13 0.08 -0.59 -4.26 117.98 113.66 1mma s PHE 122 Ca -0.02 1.85 -0.16 0.00 0.12 0.00 0.00 56.93 58.71 1mma s PHE 122 Cb 0.13 -2.96 0.03 0.00 -0.57 0.00 0.00 43.02 39.65 1mma s PHE 122 CO 0.62 0.30 0.38 -1.17 -0.10 0.00 0.00 175.22 175.26 1mma s LEU 123 N -1.62 5.09 -0.06 -0.37 2.96 -0.01 0.42 118.68 125.10 1mma s LEU 123 Ca 0.46 -0.89 -0.21 0.00 -0.22 0.00 0.00 54.13 53.27 1mma s LEU 123 Cb -0.23 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 1mma s LEU 123 CO 0.28 -0.55 0.61 -0.69 -1.32 0.00 0.00 176.35 174.68 1mma s VAL 124 N 1.89 5.04 -0.22 1.68 1.01 0.28 -1.69 120.40 128.38 1mma s VAL 124 Ca 0.08 1.26 0.01 0.00 0.00 0.00 0.00 61.98 63.33 1mma s VAL 124 Cb -0.19 -3.95 0.05 0.00 0.00 0.00 0.00 36.38 32.29 1mma s VAL 124 CO 0.11 0.32 -0.06 0.00 0.00 0.00 0.00 175.10 175.47 1mma s ALA 125 N 0.46 1.89 -0.30 5.51 0.00 -0.81 -0.91 121.76 127.59 1mma s ALA 125 Ca 0.33 -1.24 -0.15 0.00 0.00 0.00 0.00 51.96 50.90 1mma s ALA 125 Cb -0.17 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 1mma s ALA 125 CO 0.16 -1.07 0.37 0.08 0.00 0.00 0.00 175.76 175.30 1mma s VAL 126 N 1.44 5.17 0.10 0.00 1.01 -0.75 -0.09 120.40 127.27 1mma s VAL 126 Ca -0.04 0.38 -0.35 0.00 0.00 0.00 0.00 61.98 61.98 1mma s VAL 126 Cb -0.18 -3.74 -0.15 0.00 0.00 0.00 0.00 36.38 32.32 1mma s VAL 126 CO -0.07 0.07 1.55 -3.20 0.00 0.00 0.00 175.10 173.45 1mma n ASN 127 N 5.36 2.70 0.12 3.32 2.85 -0.18 -4.77 115.26 124.65 1mma n ASN 127 Ca -0.09 1.08 0.06 0.00 -0.11 0.00 0.00 54.58 55.53 1mma n ASN 127 Cb 0.50 -1.34 0.02 0.00 1.24 0.00 0.00 39.78 40.20 1mma n ASN 127 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1mma h PRO 128 N 5.93 0.00 -5.72 1.20 0.13 -1.93 -3.40 132.00 128.21 1mma h PRO 128 Ca -0.46 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.26 1mma h PRO 128 Cb 1.28 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.53 1mma h PRO 128 CO 0.87 0.21 -0.68 1.19 -0.23 0.00 0.00 178.00 179.36 1mma n PHE 129 N -2.97 -2.75 -3.60 1.56 3.72 -1.26 -4.14 117.46 108.02 1mma n PHE 129 Ca -0.01 0.95 -0.03 0.00 -0.05 0.00 0.00 57.45 58.31 1mma n PHE 129 Cb 0.67 -4.91 -0.01 0.00 -0.94 0.00 0.00 39.48 34.29 1mma n PHE 129 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1mma s LYS 130 N -6.27 0.54 0.21 -1.08 -2.85 -1.26 -3.97 119.74 105.06 1mma s LYS 130 Ca 0.56 -0.25 -0.30 0.00 -1.00 0.00 0.00 55.97 54.99 1mma s LYS 130 Cb -0.25 0.22 -0.08 0.00 -2.06 0.00 0.00 37.83 35.65 1mma s LYS 130 CO 0.69 -0.24 1.20 1.03 0.10 0.00 0.00 175.35 178.13 1mma s ARG 131 N -2.66 4.49 -0.23 1.78 0.52 -1.26 -5.00 118.95 116.59 1mma s ARG 131 Ca 0.10 1.90 -0.00 0.00 -0.52 0.00 0.00 55.73 57.21 1mma s ARG 131 Cb 0.01 -3.22 0.06 0.00 0.52 0.00 0.00 34.95 32.32 1mma s ARG 131 CO -0.04 -0.07 -0.03 0.42 0.02 0.00 0.00 175.30 175.60 1mma s ILE 132 N -0.25 1.27 -0.19 1.52 1.01 -1.26 -5.04 121.20 118.25 1mma s ILE 132 Ca 0.52 -1.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.05 1mma s ILE 132 Cb -0.33 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1mma s ILE 132 CO 0.38 -0.15 1.28 -0.81 0.00 0.00 0.00 174.94 175.64 1mma n PRO 133 N 4.77 0.43 -0.12 2.79 -0.04 -1.26 -4.44 135.00 137.12 1mma n PRO 133 Ca -0.11 -0.75 0.05 0.00 -0.04 0.00 0.00 63.50 62.65 1mma n PRO 133 Cb 0.45 -2.15 0.11 0.00 -0.04 0.00 0.00 33.50 31.87 1mma n PRO 133 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1mma n ILE 134 N 5.04 1.48 -1.62 0.52 -5.35 -1.26 -4.53 119.36 113.64 1mma n ILE 134 Ca 0.13 -1.54 -0.03 0.00 -0.27 0.00 0.00 62.75 61.04 1mma n ILE 134 Cb 0.07 0.15 0.17 0.00 -1.74 0.00 0.00 39.64 38.29 1mma n ILE 134 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1mma n TYR 135 N -0.64 0.88 -2.27 4.28 4.01 -1.26 -4.80 117.16 117.36 1mma n TYR 135 Ca 0.10 -1.70 -0.29 0.00 -0.16 0.00 0.00 57.90 55.86 1mma n TYR 135 Cb 0.50 -0.38 0.02 0.00 -0.31 0.00 0.00 39.34 39.17 1mma n TYR 135 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1mma s THR 136 N -3.51 4.36 0.29 -0.72 -4.23 -1.26 -4.86 115.64 105.72 1mma s THR 136 Ca 0.43 0.37 0.04 0.00 -1.18 0.00 0.00 61.69 61.35 1mma s THR 136 Cb 0.39 -3.72 0.29 0.00 1.34 0.00 0.00 72.50 70.81 1mma s THR 136 CO -0.03 -0.81 1.79 -0.61 -0.54 0.00 0.00 174.62 174.42 1mma h GLN 137 N -0.14 0.78 -0.86 3.99 5.75 -1.99 1.34 115.11 123.99 1mma h GLN 137 Ca -0.45 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 57.99 1mma h GLN 137 Cb 1.22 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 29.55 1mma h GLN 137 CO 0.62 0.52 0.52 0.93 -2.65 0.00 0.00 178.83 178.76 1mma h GLU 138 N 0.81 1.16 -0.14 1.69 3.07 -1.98 0.16 114.58 119.35 1mma h GLU 138 Ca 0.55 -0.10 -0.02 0.00 -0.50 0.00 0.00 59.36 59.28 1mma h GLU 138 Cb 0.78 -0.25 -0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1mma h GLU 138 CO -0.35 0.81 -0.01 0.52 -1.40 0.00 0.00 179.01 178.58 1mma h MET 139 N 1.18 0.25 -0.27 2.33 2.86 0.13 -0.94 114.93 120.47 1mma h MET 139 Ca 0.31 -0.08 0.04 0.00 -2.06 0.00 0.00 59.70 57.90 1mma h MET 139 Cb -0.05 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.52 1mma h MET 139 CO -0.06 0.50 -0.53 0.28 1.06 0.00 0.00 176.91 178.17 1mma h VAL 140 N -0.03 0.00 -0.75 -2.22 2.07 -0.07 -1.57 116.25 113.68 1mma h VAL 140 Ca 0.04 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.72 1mma h VAL 140 Cb 0.40 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.03 1mma h VAL 140 CO 0.01 0.00 -0.03 0.44 0.02 0.00 0.00 177.57 178.01 1mma h ASP 141 N -0.47 -0.41 -0.05 0.57 3.32 -0.96 0.54 116.42 118.97 1mma h ASP 141 Ca 0.05 0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.31 1mma h ASP 141 Cb 0.61 0.36 -0.00 0.00 0.22 0.00 0.00 39.33 40.52 1mma h ASP 141 CO -0.50 -0.19 0.04 0.40 -1.72 0.00 0.00 179.24 177.27 1mma h ILE 142 N 0.08 0.86 0.00 0.35 2.04 -0.15 -3.02 117.51 117.67 1mma h ILE 142 Ca 0.40 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.26 1mma h ILE 142 Cb 0.69 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1mma h ILE 142 CO -0.68 0.00 -0.21 -0.26 0.00 0.00 0.00 178.15 177.00 1mma h PHE 143 N 0.00 0.00 -1.86 1.37 0.04 0.40 -3.46 116.94 113.43 1mma h PHE 143 Ca 0.02 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.13 1mma h PHE 143 Cb 0.09 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.27 1mma h PHE 143 CO 0.00 0.00 0.88 1.63 -0.60 0.00 0.00 178.31 180.22 1mma n LYS 144 N -2.37 1.68 -0.98 1.51 5.02 -1.14 -2.27 118.16 119.62 1mma n LYS 144 Ca 0.04 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1mma n LYS 144 Cb 0.45 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.10 1mma n LYS 144 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mma n GLY 145 N 3.85 0.10 3.83 0.72 0.00 -1.26 -4.98 105.19 107.45 1mma n GLY 145 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1mma n GLY 145 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mma s ARG 146 N -1.58 4.11 0.68 1.61 1.81 -0.96 -5.06 118.95 119.56 1mma s ARG 146 Ca 0.00 0.64 -0.12 0.00 -1.72 0.00 0.00 55.73 54.53 1mma s ARG 146 Cb 0.00 -3.03 0.01 0.00 -0.45 0.00 0.00 34.95 31.47 1mma s ARG 146 CO 0.00 0.52 1.07 1.03 -0.68 0.00 0.00 175.30 177.24 1mma s ARG 147 N -1.65 2.88 0.25 3.54 0.52 -1.26 -4.73 118.95 118.49 1mma s ARG 147 Ca 0.35 1.09 -0.04 0.00 -0.52 0.00 0.00 55.73 56.62 1mma s ARG 147 Cb -0.17 -1.98 0.50 0.00 0.52 0.00 0.00 34.95 33.82 1mma s ARG 147 CO 0.19 -1.15 1.70 -0.09 0.02 0.00 0.00 175.30 175.97 1mma h ARG 148 N -0.46 0.33 0.00 3.54 2.43 -1.89 0.16 114.38 118.48 1mma h ARG 148 Ca -0.45 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1mma h ARG 148 Cb 1.22 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1mma h ARG 148 CO 0.56 0.22 0.00 0.27 -1.51 0.00 0.00 179.97 179.50 1mma n ASN 149 N -5.09 0.47 0.01 -3.80 6.94 -1.26 -2.99 115.26 109.54 1mma n ASN 149 Ca 0.15 0.58 0.12 0.00 -0.02 0.00 0.00 54.58 55.41 1mma n ASN 149 Cb 0.47 -0.69 0.14 0.00 -2.36 0.00 0.00 39.78 37.34 1mma n ASN 149 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1mma n GLU 150 N -1.98 0.10 -4.20 -3.83 1.02 0.54 -4.95 120.64 107.33 1mma n GLU 150 Ca 0.04 0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.07 1mma n GLU 150 Cb 0.30 -1.54 -0.10 0.00 -0.02 0.00 0.00 31.44 30.07 1mma n GLU 150 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1mma s VAL 151 N -3.06 0.06 0.76 2.62 -7.23 -1.15 -4.94 120.40 107.45 1mma s VAL 151 Ca 0.08 -1.99 -0.14 0.00 -1.81 0.00 0.00 61.98 58.12 1mma s VAL 151 Cb 0.16 -2.46 0.05 0.00 0.56 0.00 0.00 36.38 34.69 1mma s VAL 151 CO 0.75 -0.05 1.20 0.00 -0.31 0.00 0.00 175.10 176.69 1mma s ALA 152 N -4.12 2.03 0.35 1.32 0.00 -1.26 -4.86 121.76 115.22 1mma s ALA 152 Ca 0.37 0.84 -0.28 0.00 0.00 0.00 0.00 51.96 52.89 1mma s ALA 152 Cb 0.07 -3.47 -0.12 0.00 0.00 0.00 0.00 23.12 19.61 1mma s ALA 152 CO 0.11 -2.01 1.42 -2.30 0.00 0.00 0.00 175.76 172.98 1mma n PRO 153 N -2.94 2.45 -3.59 0.00 -0.02 -1.26 -4.84 135.00 124.79 1mma n PRO 153 Ca 0.13 0.86 -0.05 0.00 -2.02 0.00 0.00 63.50 62.42 1mma n PRO 153 Cb 0.50 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 1mma n PRO 153 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1mma s HIS 154 N -0.98 -0.15 0.20 6.00 2.46 -1.26 -4.75 115.29 116.81 1mma s HIS 154 Ca 0.55 0.13 0.22 0.00 0.47 0.00 0.00 55.06 56.44 1mma s HIS 154 Cb -0.52 0.51 0.91 0.00 -0.13 0.00 0.00 32.58 33.35 1mma s HIS 154 CO 0.61 -0.21 1.83 0.97 -2.47 0.00 0.00 174.74 175.48 1mma h ILE 155 N 2.05 0.70 -0.48 0.89 6.09 -1.99 -2.78 117.51 122.00 1mma h ILE 155 Ca -0.10 -1.17 -0.10 0.00 -1.37 0.00 0.00 64.86 62.12 1mma h ILE 155 Cb 1.17 1.75 -0.02 0.00 0.47 0.00 0.00 36.82 40.20 1mma h ILE 155 CO 0.24 0.26 -0.08 -0.26 -3.07 0.00 0.00 178.15 175.24 1mma h PHE 156 N 0.00 1.00 0.07 2.19 0.04 -1.94 -1.15 116.94 117.15 1mma h PHE 156 Ca -0.00 -0.20 0.02 0.00 2.80 0.00 0.00 57.97 60.59 1mma h PHE 156 Cb 0.73 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.59 1mma h PHE 156 CO 0.00 0.97 -0.32 0.00 -0.60 0.00 0.00 178.31 178.36 1mma h ALA 157 N 0.89 -0.51 -0.70 2.45 0.00 -1.82 0.89 119.26 120.46 1mma h ALA 157 Ca 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1mma h ALA 157 Cb 0.62 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1mma h ALA 157 CO 0.04 -0.85 0.37 -0.84 0.00 0.00 0.00 179.25 177.97 1mma h ILE 158 N -0.51 1.22 -0.64 0.00 -0.00 -1.49 0.47 117.51 116.56 1mma h ILE 158 Ca 0.04 -0.58 0.00 0.00 -0.00 0.00 0.00 64.86 64.33 1mma h ILE 158 Cb 0.56 0.32 -0.03 0.00 -0.00 0.00 0.00 36.82 37.67 1mma h ILE 158 CO -0.22 0.25 0.42 0.28 -0.00 0.00 0.00 178.15 178.88 1mma h SER 159 N 0.97 0.74 -0.16 2.16 0.02 -0.75 -2.22 113.55 114.32 1mma h SER 159 Ca 0.24 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1mma h SER 159 Cb 0.07 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1mma h SER 159 CO -0.04 0.55 0.05 -0.78 -1.14 0.00 0.00 176.83 175.47 1mma h ASP 160 N 0.87 0.23 -0.28 3.07 1.82 0.20 -1.97 116.42 120.37 1mma h ASP 160 Ca 0.23 -0.20 0.07 0.00 -0.39 0.00 0.00 57.03 56.74 1mma h ASP 160 Cb -0.09 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 39.85 1mma h ASP 160 CO -0.05 0.37 0.19 0.58 -1.61 0.00 0.00 179.24 178.72 1mma h VAL 161 N 0.09 0.90 -0.06 2.25 2.07 -0.84 -0.46 116.25 120.19 1mma h VAL 161 Ca 0.05 -0.03 -0.21 0.00 0.82 0.00 0.00 66.70 67.34 1mma h VAL 161 Cb 0.21 0.82 0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1mma h VAL 161 CO -0.00 0.01 -0.77 0.00 0.02 0.00 0.00 177.57 176.83 1mma h ALA 162 N 1.86 0.18 -0.79 1.67 0.00 -1.17 -2.05 119.26 118.96 1mma h ALA 162 Ca 0.13 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1mma h ALA 162 Cb 0.41 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1mma h ALA 162 CO -0.01 0.55 0.30 -0.92 0.00 0.00 0.00 179.25 179.17 1mma h TYR 163 N 0.27 1.21 -0.24 0.00 3.20 -0.46 -1.29 116.97 119.66 1mma h TYR 163 Ca -0.08 -0.10 -0.05 0.00 3.14 0.00 0.00 58.73 61.65 1mma h TYR 163 Cb 1.43 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 1mma h TYR 163 CO 0.11 0.92 -0.04 0.00 -1.64 0.00 0.00 178.16 177.51 1mma h ARG 164 N 1.15 0.45 -0.89 1.82 2.47 -1.16 -2.13 114.38 116.08 1mma h ARG 164 Ca 0.26 -0.16 0.05 0.00 -1.26 0.00 0.00 59.98 58.87 1mma h ARG 164 Cb 0.23 -0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.47 1mma h ARG 164 CO -0.02 0.66 0.57 0.77 0.56 0.00 0.00 179.97 182.51 1mma h SER 165 N 0.19 0.92 0.15 7.04 0.02 -1.32 0.68 113.55 121.23 1mma h SER 165 Ca 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1mma h SER 165 Cb 0.49 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1mma h SER 165 CO 0.02 0.61 -0.07 -0.03 -1.14 0.00 0.00 176.83 176.22 1mma h MET 166 N 1.07 -0.19 -0.49 3.45 1.85 -1.16 0.60 114.93 120.06 1mma h MET 166 Ca 0.37 0.01 -0.10 0.00 -0.61 0.00 0.00 59.70 59.38 1mma h MET 166 Cb 0.09 0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.14 1mma h MET 166 CO -0.15 -0.08 -0.08 -0.07 -0.40 0.00 0.00 176.91 176.13 1mma h LEU 167 N -0.26 0.87 0.01 3.39 3.38 -0.60 -1.52 115.31 120.59 1mma h LEU 167 Ca -0.02 -0.26 -0.21 0.00 0.09 0.00 0.00 57.88 57.48 1mma h LEU 167 Cb 0.20 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 40.73 1mma h LEU 167 CO 0.03 0.98 -0.83 0.44 0.09 0.00 0.00 178.44 179.15 1mma h ASP 168 N 0.80 0.70 0.24 -0.43 3.32 0.48 -3.36 116.42 118.16 1mma h ASP 168 Ca 0.14 -0.77 0.00 0.00 0.02 0.00 0.00 57.03 56.42 1mma h ASP 168 Cb 0.59 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1mma h ASP 168 CO 0.04 1.38 -0.89 0.47 -1.72 0.00 0.00 179.24 178.52 1mma n ASP 169 N -4.05 0.74 -3.06 6.45 8.00 0.21 -4.96 116.55 119.88 1mma n ASP 169 Ca -0.11 -0.58 -0.23 0.00 0.71 0.00 0.00 54.79 54.58 1mma n ASP 169 Cb 0.78 0.77 0.03 0.00 -0.02 0.00 0.00 41.12 42.68 1mma n ASP 169 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1mma n ARG 170 N -1.62 -4.68 -5.16 -1.24 5.12 -0.57 -4.98 116.66 103.53 1mma n ARG 170 Ca 0.04 0.85 -0.32 0.00 -1.93 0.00 0.00 57.85 56.49 1mma n ARG 170 Cb 0.36 -5.70 -0.15 0.00 -1.16 0.00 0.00 32.46 25.82 1mma n ARG 170 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1mma s GLN 171 N -5.74 2.24 0.79 5.56 0.74 -1.25 -5.09 119.66 116.91 1mma s GLN 171 Ca 0.31 -0.85 -0.13 0.00 0.05 0.00 0.00 55.36 54.74 1mma s GLN 171 Cb -0.14 -2.16 0.07 0.00 1.10 0.00 0.00 33.01 31.88 1mma s GLN 171 CO 0.39 0.58 1.18 -0.80 -0.55 0.00 0.00 175.29 176.09 1mma s ASN 172 N -0.66 3.85 0.16 6.67 0.01 -1.26 -4.40 114.94 119.31 1mma s ASN 172 Ca 0.11 2.26 0.07 0.00 -0.71 0.00 0.00 52.86 54.59 1mma s ASN 172 Cb -0.10 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.94 1mma s ASN 172 CO -0.00 -2.49 -0.16 -1.10 -1.51 0.00 0.00 177.10 171.84 1mma s GLN 173 N -4.21 1.21 0.02 -0.60 -1.52 -0.78 -1.25 119.66 112.54 1mma s GLN 173 Ca 0.71 -1.42 0.01 0.00 -1.95 0.00 0.00 55.36 52.71 1mma s GLN 173 Cb -0.26 -1.13 -0.01 0.00 -0.22 0.00 0.00 33.01 31.38 1mma s GLN 173 CO 0.50 0.21 -0.05 -1.54 -0.25 0.00 0.00 175.29 174.16 1mma s SER 174 N -2.81 0.49 -0.19 5.90 1.04 -0.49 0.36 113.70 117.98 1mma s SER 174 Ca 0.16 -0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.27 1mma s SER 174 Cb -0.04 0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.13 1mma s SER 174 CO 0.05 -0.13 -0.19 -0.76 0.98 0.00 0.00 173.24 173.20 1mma s LEU 175 N -0.93 2.32 -0.45 2.42 1.02 0.36 0.12 118.68 123.53 1mma s LEU 175 Ca -0.07 -0.76 -0.13 0.00 0.02 0.00 0.00 54.13 53.19 1mma s LEU 175 Cb -0.06 -1.49 0.08 0.00 0.02 0.00 0.00 46.19 44.74 1mma s LEU 175 CO -0.00 -0.03 0.35 -0.76 0.02 0.00 0.00 176.35 175.93 1mma s LEU 176 N 1.26 5.47 -0.35 1.79 1.02 -0.17 0.94 118.68 128.64 1mma s LEU 176 Ca 0.03 -1.43 -0.05 0.00 0.02 0.00 0.00 54.13 52.70 1mma s LEU 176 Cb -0.14 -2.11 0.06 0.00 0.02 0.00 0.00 46.19 44.03 1mma s LEU 176 CO -0.12 -0.62 0.12 -0.63 0.02 0.00 0.00 176.35 175.12 1mma s ILE 177 N 1.55 3.52 0.36 -0.59 1.01 -0.38 -0.81 121.20 125.86 1mma s ILE 177 Ca 0.04 -1.43 0.04 0.00 0.00 0.00 0.00 60.65 59.29 1mma s ILE 177 Cb -0.24 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1mma s ILE 177 CO 0.05 -0.31 0.12 0.42 0.00 0.00 0.00 174.94 175.22 1mma s THR 178 N 1.31 0.63 0.00 2.92 -4.23 -0.77 -3.39 115.64 112.11 1mma s THR 178 Ca -0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1mma s THR 178 Cb -0.21 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1mma s THR 178 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1mma n GLY 179 N -0.76 1.15 3.64 3.99 0.00 -1.26 -0.94 105.19 111.01 1mma n GLY 179 Ca -0.03 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 1mma n GLY 179 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mma s GLU 180 N -1.64 0.11 0.34 1.61 -1.05 -1.26 -2.88 118.70 113.93 1mma s GLU 180 Ca 0.00 0.58 -0.28 0.00 -0.15 0.00 0.00 54.97 55.12 1mma s GLU 180 Cb 0.00 -1.69 -0.12 0.00 -0.44 0.00 0.00 34.13 31.88 1mma s GLU 180 CO 0.00 -2.96 1.38 0.45 0.95 0.00 0.00 175.26 175.07 1mma n SER 181 N -4.35 3.14 0.00 0.83 2.88 -1.26 -1.91 113.62 112.96 1mma n SER 181 Ca 0.05 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1mma n SER 181 Cb 0.57 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1mma n SER 181 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1mma n GLY 182 N 0.87 0.29 0.14 0.46 0.00 -1.26 -4.90 105.19 100.80 1mma n GLY 182 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1mma n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mma h ALA 183 N 0.00 1.00 0.00 4.61 0.00 -1.71 -3.46 119.26 119.70 1mma h ALA 183 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mma h ALA 183 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1mma h ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1mma n GLY 184 N 0.64 1.39 0.06 0.00 0.00 -1.26 -4.00 105.19 102.01 1mma n GLY 184 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1mma n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mma h LYS 185 N 0.00 -0.05 -0.68 1.61 1.57 -1.92 -2.34 116.57 114.77 1mma h LYS 185 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1mma h LYS 185 Cb 0.00 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1mma h LYS 185 CO 0.00 0.10 0.22 1.15 -0.57 0.00 0.00 179.45 180.35 1mma h THR 186 N -0.18 1.25 0.19 -0.16 2.02 -1.95 0.11 112.91 114.19 1mma h THR 186 Ca -0.01 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1mma h THR 186 Cb 0.17 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1mma h THR 186 CO 0.01 0.33 -0.20 -0.33 0.37 0.00 0.00 175.52 175.69 1mma h GLU 187 N 0.98 -0.42 -0.73 6.66 4.39 -1.95 -1.35 114.58 122.16 1mma h GLU 187 Ca 0.22 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.92 1mma h GLU 187 Cb 0.28 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 1mma h GLU 187 CO -0.01 -0.28 0.36 -0.91 -1.16 0.00 0.00 179.01 177.01 1mma h ASN 188 N -0.43 0.94 -0.17 1.42 2.35 -1.34 -2.14 115.58 116.21 1mma h ASN 188 Ca 0.00 -0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.66 1mma h ASN 188 Cb 0.41 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 1mma h ASN 188 CO -0.06 0.80 -0.03 0.74 -1.65 0.00 0.00 177.43 177.24 1mma h THR 189 N 1.01 0.84 -0.77 2.81 2.02 -0.40 -0.80 112.91 117.62 1mma h THR 189 Ca 0.25 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.46 1mma h THR 189 Cb 0.10 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 1mma h THR 189 CO -0.03 0.00 0.51 0.11 0.37 0.00 0.00 175.52 176.48 1mma h LYS 190 N 0.02 0.93 -0.38 6.66 1.57 -0.80 -1.86 116.57 122.70 1mma h LYS 190 Ca 0.08 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 1mma h LYS 190 Cb 0.12 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1mma h LYS 190 CO -0.17 0.61 -0.22 0.87 -0.57 0.00 0.00 179.45 179.98 1mma h LYS 191 N 0.95 0.75 -0.66 3.15 1.79 -0.75 0.18 116.57 121.98 1mma h LYS 191 Ca 0.31 -0.30 0.02 0.00 -2.18 0.00 0.00 60.65 58.50 1mma h LYS 191 Cb 0.03 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.61 1mma h LYS 191 CO -0.09 0.90 0.43 0.28 -1.08 0.00 0.00 179.45 179.89 1mma h VAL 192 N 0.66 1.13 -0.40 0.50 2.07 -0.34 0.40 116.25 120.27 1mma h VAL 192 Ca 0.09 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 1mma h VAL 192 Cb 0.72 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1mma h VAL 192 CO 0.06 0.16 -0.03 0.40 0.02 0.00 0.00 177.57 178.17 1mma h ILE 193 N 0.85 1.27 -0.09 4.57 2.04 -1.06 -0.46 117.51 124.62 1mma h ILE 193 Ca 0.25 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 1mma h ILE 193 Cb -0.04 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1mma h ILE 193 CO -0.08 0.36 0.03 1.56 0.00 0.00 0.00 178.15 180.01 1mma h GLN 194 N 0.54 0.15 -0.78 2.37 4.20 -0.41 0.19 115.11 121.37 1mma h GLN 194 Ca 0.11 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1mma h GLN 194 Cb 0.52 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 1mma h GLN 194 CO 0.03 0.32 0.50 -0.92 -0.67 0.00 0.00 178.83 178.08 1mma h TYR 195 N -0.05 1.01 -0.60 2.96 3.20 -0.75 -1.07 116.97 121.67 1mma h TYR 195 Ca 0.03 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 1mma h TYR 195 Cb 0.23 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 1mma h TYR 195 CO 0.00 0.66 0.19 -0.07 -1.64 0.00 0.00 178.16 177.30 1mma h LEU 196 N 1.07 0.88 -1.18 2.82 3.38 -0.44 -1.07 115.31 120.77 1mma h LEU 196 Ca 0.28 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1mma h LEU 196 Cb -0.08 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 1mma h LEU 196 CO -0.06 0.86 0.48 0.00 0.09 0.00 0.00 178.44 179.81 1mma h ALA 197 N 1.06 1.39 0.49 1.53 0.00 -0.36 -2.28 119.26 121.10 1mma h ALA 197 Ca 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1mma h ALA 197 Cb 0.29 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1mma h ALA 197 CO -0.01 0.54 -0.24 1.03 0.00 0.00 0.00 179.25 180.58 1mma h SER 198 N 1.06 -0.56 0.00 0.00 0.87 -0.84 -2.09 113.55 111.99 1mma h SER 198 Ca 0.28 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1mma h SER 198 Cb -0.07 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1mma h SER 198 CO -0.06 -0.16 0.00 1.33 -0.53 0.00 0.00 176.83 177.42 1mma n VAL 199 N -5.11 0.00 -1.67 2.23 0.24 -0.44 -3.91 118.33 109.67 1mma n VAL 199 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1mma n VAL 199 Cb 0.26 -0.61 0.00 0.00 -1.47 0.00 0.00 33.84 32.02 1mma n VAL 199 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mma n ALA 200 N -0.89 1.06 -3.51 2.33 0.00 -0.86 -5.04 120.51 113.59 1mma n ALA 200 Ca 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 53.44 53.33 1mma n ALA 200 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1mma n ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mma n GLY 201 N 0.00 2.96 3.75 0.00 0.00 -0.79 -1.51 105.19 109.60 1mma n GLY 201 Ca 0.00 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.43 1mma n GLY 201 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1mma s ARG 202 N -2.27 4.70 0.00 1.61 1.70 -1.26 -4.98 118.95 118.45 1mma s ARG 202 Ca 0.04 1.66 0.00 0.00 -0.47 0.00 0.00 55.73 56.96 1mma s ARG 202 Cb -0.00 -3.26 0.00 0.00 -0.57 0.00 0.00 34.95 31.12 1mma s ARG 202 CO 0.02 0.27 0.00 0.09 -1.08 0.00 0.00 175.30 174.60 1mma n ASN 203 N 1.72 0.00 -2.01 -2.89 4.13 -1.26 -4.51 115.26 110.44 1mma n ASN 203 Ca -0.00 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.13 1mma n ASN 203 Cb 0.46 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.58 1mma n ASN 203 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1mma n GLN 204 N -0.57 1.93 0.00 3.52 0.00 -1.26 -5.07 117.38 115.93 1mma n GLN 204 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 57.00 55.89 1mma n GLN 204 Cb 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 30.24 28.35 1mma n GLN 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1mma n GLY 209 N 2.05 -1.25 0.11 2.61 0.00 -1.26 -5.34 105.19 102.10 1mma n GLY 209 Ca 0.38 0.68 -0.20 0.00 0.00 0.00 0.00 46.02 46.88 1mma n GLY 209 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1mma h VAL 210 N 0.00 1.25 -0.87 1.61 -1.51 -1.97 -3.34 116.25 111.41 1mma h VAL 210 Ca 0.00 -2.35 0.21 0.00 -1.23 0.00 0.00 66.70 63.33 1mma h VAL 210 Cb 0.00 2.82 -0.12 0.00 -2.13 0.00 0.00 31.29 31.86 1mma h VAL 210 CO 0.00 0.59 0.36 0.25 -1.23 0.00 0.00 177.57 177.54 1mma h LEU 211 N -0.65 0.29 -0.04 4.19 5.85 -1.99 -0.89 115.31 122.07 1mma h LEU 211 Ca -0.22 0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1mma h LEU 211 Cb 1.45 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.58 1mma h LEU 211 CO -0.01 -0.00 -0.21 -0.33 -0.34 0.00 0.00 178.44 177.54 1mma h GLU 212 N 0.39 -0.31 -0.47 1.25 3.07 -1.96 0.99 114.58 117.54 1mma h GLU 212 Ca 0.54 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 59.48 1mma h GLU 212 Cb 1.00 0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.93 1mma h GLU 212 CO -0.52 -0.20 0.17 1.96 -1.40 0.00 0.00 179.01 179.01 1mma h GLN 213 N -0.32 0.33 -0.83 2.33 1.08 -1.43 0.40 115.11 116.66 1mma h GLN 213 Ca 0.07 -0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1mma h GLN 213 Cb 0.42 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.73 1mma h GLN 213 CO -0.22 0.22 0.55 1.96 -0.95 0.00 0.00 178.83 180.38 1mma h GLN 214 N 0.34 1.10 -0.39 1.46 4.20 -0.41 1.34 115.11 122.75 1mma h GLN 214 Ca 0.22 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 1mma h GLN 214 Cb 0.23 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1mma h GLN 214 CO -0.23 0.73 0.01 0.82 -0.67 0.00 0.00 178.83 179.49 1mma h ILE 215 N 1.13 1.21 -0.03 2.54 2.04 0.22 -2.66 117.51 121.96 1mma h ILE 215 Ca 0.30 -0.85 -0.17 0.00 1.00 0.00 0.00 64.86 65.14 1mma h ILE 215 Cb -0.13 0.90 0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1mma h ILE 215 CO -0.07 0.29 -0.66 -0.07 0.00 0.00 0.00 178.15 177.65 1mma h LEU 216 N 0.59 0.63 0.00 1.44 3.38 0.13 -3.23 115.31 118.26 1mma h LEU 216 Ca 0.12 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1mma h LEU 216 Cb 0.36 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1mma h LEU 216 CO 0.01 1.27 0.00 0.00 0.09 0.00 0.00 178.44 179.81 1mma n GLN 217 N -4.15 0.12 -0.02 1.13 1.13 0.45 -2.84 117.38 113.21 1mma n GLN 217 Ca -0.10 0.21 -0.13 0.00 -1.94 0.00 0.00 57.00 55.04 1mma n GLN 217 Cb 0.69 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.54 1mma n GLN 217 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1mma h ALA 218 N 2.54 0.54 -0.47 -1.58 0.00 -1.49 -3.33 119.26 115.46 1mma h ALA 218 Ca 0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1mma h ALA 218 Cb 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1mma h ALA 218 CO 0.00 0.70 0.28 -0.91 0.00 0.00 0.00 179.25 179.32 1mma h ASN 219 N 0.50 0.57 -0.89 0.00 -0.26 -1.73 -2.35 115.58 111.42 1mma h ASN 219 Ca -0.01 -0.06 0.08 0.00 -0.56 0.00 0.00 56.30 55.74 1mma h ASN 219 Cb 1.21 -0.14 -0.06 0.00 -1.06 0.00 0.00 38.32 38.27 1mma h ASN 219 CO 0.12 0.47 0.57 -0.65 -1.06 0.00 0.00 177.43 176.89 1mma h PRO 220 N 0.63 0.92 -0.31 0.81 0.10 -1.75 0.80 132.00 133.19 1mma h PRO 220 Ca 0.17 -0.06 -0.10 0.00 0.10 0.00 0.00 66.00 66.12 1mma h PRO 220 Cb 0.01 -0.21 -0.01 0.00 0.10 0.00 0.00 31.00 30.89 1mma h PRO 220 CO -0.03 0.61 -0.18 0.82 0.10 0.00 0.00 178.00 179.32 1mma h ILE 221 N 0.95 1.29 0.00 4.15 2.04 -1.61 -2.03 117.51 122.30 1mma h ILE 221 Ca 0.39 -1.30 -0.08 0.00 1.00 0.00 0.00 64.86 64.87 1mma h ILE 221 Cb 0.29 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1mma h ILE 221 CO -0.16 0.42 -0.40 -0.07 0.00 0.00 0.00 178.15 177.94 1mma h LEU 222 N 0.43 0.00 -0.36 1.44 3.38 -0.89 -3.10 115.31 116.21 1mma h LEU 222 Ca 0.07 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 1mma h LEU 222 Cb 0.72 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1mma h LEU 222 CO 0.05 0.40 -0.83 -0.33 0.09 0.00 0.00 178.44 177.82 1mma h GLU 223 N 0.00 0.11 -0.29 1.13 5.08 -0.64 0.13 114.58 120.11 1mma h GLU 223 Ca -0.00 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 1mma h GLU 223 Cb 0.95 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1mma h GLU 223 CO 0.05 0.87 -0.22 0.00 -1.00 0.00 0.00 179.01 178.71 1mma h ALA 224 N 1.08 1.07 0.00 3.43 0.00 -1.30 -1.71 119.26 121.84 1mma h ALA 224 Ca -0.03 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1mma h ALA 224 Cb 1.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1mma h ALA 224 CO 0.12 0.57 -1.66 1.19 0.00 0.00 0.00 179.25 179.46 1mma n PHE 225 N -4.13 0.38 -0.24 0.00 3.01 -1.16 -0.19 117.46 115.13 1mma n PHE 225 Ca -0.00 0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.57 1mma n PHE 225 Cb 0.40 -0.72 0.00 0.00 -0.01 0.00 0.00 39.48 39.15 1mma n PHE 225 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mma n GLY 226 N 1.27 0.98 3.48 1.37 0.00 0.46 -4.90 105.19 107.85 1mma n GLY 226 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1mma n GLY 226 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mma s ASN 227 N -0.58 3.64 0.16 1.61 -0.87 -0.65 0.22 114.94 118.48 1mma s ASN 227 Ca 0.00 -1.00 -0.24 0.00 -1.57 0.00 0.00 52.86 50.05 1mma s ASN 227 Cb 0.00 -0.33 0.06 0.00 -0.02 0.00 0.00 41.25 40.96 1mma s ASN 227 CO 0.00 0.04 0.86 0.00 -2.57 0.00 0.00 177.10 175.43 1mma s ALA 228 N -2.45 -1.57 -0.08 0.60 0.00 0.17 -2.95 121.76 115.47 1mma s ALA 228 Ca 0.30 0.19 -0.30 0.00 0.00 0.00 0.00 51.96 52.14 1mma s ALA 228 Cb -0.05 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 1mma s ALA 228 CO 0.15 -0.97 1.09 0.21 0.00 0.00 0.00 175.76 176.24 1mma s LYS 229 N -3.45 4.39 0.19 0.00 2.20 -1.24 0.13 119.74 121.97 1mma s LYS 229 Ca 0.10 1.51 0.01 0.00 -0.36 0.00 0.00 55.97 57.23 1mma s LYS 229 Cb -0.02 -3.55 -0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1mma s LYS 229 CO 0.00 -0.37 0.03 0.25 -0.36 0.00 0.00 175.35 174.90 1mma n THR 230 N 4.57 0.00 0.59 3.43 -2.24 0.21 -2.50 114.28 118.34 1mma n THR 230 Ca 0.10 -1.01 0.12 0.00 -2.27 0.00 0.00 64.05 60.99 1mma n THR 230 Cb 0.48 0.28 0.45 0.00 -2.10 0.00 0.00 70.33 69.44 1mma n THR 230 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1mma n THR 231 N -0.46 0.63 0.60 4.28 -2.24 -1.26 -3.29 114.28 112.54 1mma n THR 231 Ca -0.06 -0.02 0.08 0.00 -2.27 0.00 0.00 64.05 61.77 1mma n THR 231 Cb 0.26 -0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 67.59 1mma n THR 231 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1mma n ARG 232 N -2.09 1.47 -3.64 -0.78 1.74 -1.26 -4.98 116.66 107.13 1mma n ARG 232 Ca 0.04 -0.03 -0.05 0.00 -0.77 0.00 0.00 57.85 57.04 1mma n ARG 232 Cb 0.33 -1.28 -0.07 0.00 -1.02 0.00 0.00 32.46 30.42 1mma n ARG 232 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1mma s ASN 233 N -2.79 -0.80 0.00 0.55 3.84 -1.21 -4.30 114.94 110.23 1mma s ASN 233 Ca 0.04 1.27 0.15 0.00 0.21 0.00 0.00 52.86 54.53 1mma s ASN 233 Cb 0.12 1.34 0.66 0.00 -0.55 0.00 0.00 41.25 42.82 1mma s ASN 233 CO 0.66 -0.20 1.49 0.59 -2.79 0.00 0.00 177.10 176.86 1mma n ASN 234 N 4.13 0.00 -3.11 -4.21 5.03 -1.26 0.66 115.26 116.50 1mma n ASN 234 Ca -0.19 0.50 -0.17 0.00 0.87 0.00 0.00 54.58 55.59 1mma n ASN 234 Cb 0.58 -0.50 -0.02 0.00 -1.02 0.00 0.00 39.78 38.82 1mma n ASN 234 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1mma n ASN 235 N -1.50 0.90 -4.77 6.41 5.15 -1.25 -3.59 115.26 116.61 1mma n ASN 235 Ca 0.04 -2.97 -0.40 0.00 -0.60 0.00 0.00 54.58 50.65 1mma n ASN 235 Cb 0.18 -0.59 -0.02 0.00 -0.53 0.00 0.00 39.78 38.82 1mma n ASN 235 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1mma s SER 236 N -2.52 6.71 -0.29 1.20 0.15 0.34 -4.64 113.70 114.66 1mma s SER 236 Ca 0.38 2.55 -0.26 0.00 0.70 0.00 0.00 55.95 59.32 1mma s SER 236 Cb 0.37 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1mma s SER 236 CO -0.06 -0.56 0.91 -0.44 1.20 0.00 0.00 173.24 174.28 1mma s SER 237 N -0.73 6.83 -0.40 5.45 0.01 -1.26 0.45 113.70 124.05 1mma s SER 237 Ca 0.51 0.94 0.04 0.00 1.31 0.00 0.00 55.95 58.75 1mma s SER 237 Cb -0.36 -2.47 0.61 0.00 0.21 0.00 0.00 66.02 64.01 1mma s SER 237 CO 0.47 -0.67 1.82 0.54 0.41 0.00 0.00 173.24 175.82 1mma n ARG 238 N 6.35 2.21 -3.50 12.44 5.12 0.59 -4.85 116.66 135.02 1mma n ARG 238 Ca 0.07 -2.72 -0.17 0.00 -1.93 0.00 0.00 57.85 53.11 1mma n ARG 238 Cb 0.47 -2.07 -0.05 0.00 -1.16 0.00 0.00 32.46 29.65 1mma n ARG 238 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 1mma s PHE 239 N -2.96 -0.63 0.29 -1.55 -0.71 -1.25 -1.05 117.98 110.11 1mma s PHE 239 Ca 0.51 0.97 -0.06 0.00 -1.04 0.00 0.00 56.93 57.31 1mma s PHE 239 Cb 0.43 0.44 -0.06 0.00 -1.21 0.00 0.00 43.02 42.62 1mma s PHE 239 CO 0.10 -0.65 0.57 0.20 -1.34 0.00 0.00 175.22 174.09 1mma s GLY 240 N -1.49 1.94 0.05 1.99 0.00 -0.09 -4.86 107.32 104.85 1mma s GLY 240 Ca -0.09 -0.49 -0.07 0.00 0.00 0.00 0.00 44.72 44.07 1mma s GLY 240 CO 0.05 -0.37 0.14 -1.59 0.00 0.00 0.00 173.10 171.34 1mma s LYS 241 N -3.44 0.68 -0.21 2.90 -2.85 -0.77 0.15 119.74 116.20 1mma s LYS 241 Ca 0.45 -0.77 -0.01 0.00 -1.00 0.00 0.00 55.97 54.63 1mma s LYS 241 Cb -0.11 0.27 0.06 0.00 -2.06 0.00 0.00 37.83 35.99 1mma s LYS 241 CO 0.29 -0.19 -0.00 0.12 0.10 0.00 0.00 175.35 175.66 1mma s PHE 242 N -2.91 1.63 -0.35 1.78 5.36 0.62 -0.36 117.98 123.75 1mma s PHE 242 Ca -0.02 -1.26 -0.11 0.00 -0.96 0.00 0.00 56.93 54.57 1mma s PHE 242 Cb 0.01 -1.27 0.00 0.00 -0.34 0.00 0.00 43.02 41.42 1mma s PHE 242 CO -0.06 -0.68 0.21 0.42 -1.46 0.00 0.00 175.22 173.64 1mma s ILE 243 N 1.65 4.84 -0.44 3.12 1.01 -0.06 -0.23 121.20 131.10 1mma s ILE 243 Ca -0.03 -0.52 -0.19 0.00 0.00 0.00 0.00 60.65 59.91 1mma s ILE 243 Cb -0.18 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.75 1mma s ILE 243 CO -0.07 -0.08 0.57 -0.70 0.00 0.00 0.00 174.94 174.65 1mma s GLU 244 N 1.63 3.20 -0.29 2.79 2.12 -0.40 0.29 118.70 128.04 1mma s GLU 244 Ca 0.04 -0.56 -0.19 0.00 0.36 0.00 0.00 54.97 54.62 1mma s GLU 244 Cb -0.18 -3.97 -0.01 0.00 0.26 0.00 0.00 34.13 30.23 1mma s GLU 244 CO 0.08 -0.97 0.59 0.42 -0.54 0.00 0.00 175.26 174.84 1mma s ILE 245 N 2.55 4.98 -0.18 -3.70 -1.09 0.11 -1.79 121.20 122.09 1mma s ILE 245 Ca 0.18 0.84 -0.13 0.00 -2.23 0.00 0.00 60.65 59.31 1mma s ILE 245 Cb -0.16 -3.95 -0.05 0.00 -1.58 0.00 0.00 42.46 36.73 1mma s ILE 245 CO 0.16 -0.08 0.27 -1.10 -1.23 0.00 0.00 174.94 172.97 1mma s GLN 246 N 2.51 4.22 0.13 2.79 -0.21 0.74 -0.13 119.66 129.71 1mma s GLN 246 Ca 0.24 0.04 0.09 0.00 0.02 0.00 0.00 55.36 55.74 1mma s GLN 246 Cb -0.15 -3.45 -0.04 0.00 1.00 0.00 0.00 33.01 30.37 1mma s GLN 246 CO 0.11 0.19 -0.15 -0.06 -2.12 0.00 0.00 175.29 173.25 1mma s PHE 247 N 0.64 2.57 0.68 0.91 0.40 -0.27 0.22 117.98 123.14 1mma s PHE 247 Ca 0.15 -0.25 -0.00 0.00 -0.60 0.00 0.00 56.93 56.23 1mma s PHE 247 Cb -0.13 -1.33 0.11 0.00 0.51 0.00 0.00 43.02 42.17 1mma s PHE 247 CO 0.04 0.43 0.94 0.54 0.70 0.00 0.00 175.22 177.87 1mma s ASN 248 N -2.34 4.57 0.64 1.36 2.20 0.03 -1.71 114.94 119.70 1mma s ASN 248 Ca 0.20 -0.29 0.38 0.00 -0.94 0.00 0.00 52.86 52.20 1mma s ASN 248 Cb -0.10 -0.20 2.11 0.00 -2.00 0.00 0.00 41.25 41.06 1mma s ASN 248 CO 0.12 -1.70 2.26 -0.55 -2.94 0.00 0.00 177.10 174.29 1mma h ASN 249 N -0.39 0.00 1.59 3.54 7.08 -1.94 -1.91 115.58 123.56 1mma h ASN 249 Ca -0.37 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.85 1mma h ASN 249 Cb 1.28 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.52 1mma h ASN 249 CO 0.43 0.00 0.00 0.00 -2.08 0.00 0.00 177.43 175.78 1mma h ALA 250 N 1.89 1.00 0.00 4.14 0.00 -2.03 -3.47 119.26 120.78 1mma h ALA 250 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1mma h ALA 250 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1mma h ALA 250 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1mma n GLY 251 N 1.06 1.02 3.59 0.00 0.00 -0.72 -5.10 105.19 105.05 1mma n GLY 251 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1mma n GLY 251 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mma s PHE 252 N -2.00 2.77 0.03 1.61 0.08 -1.26 -4.78 117.98 114.43 1mma s PHE 252 Ca 0.00 -0.14 -0.30 0.00 0.12 0.00 0.00 56.93 56.61 1mma s PHE 252 Cb 0.00 -1.45 -0.08 0.00 -0.57 0.00 0.00 43.02 40.91 1mma s PHE 252 CO 0.00 0.43 1.87 0.42 -0.10 0.00 0.00 175.22 177.83 1mma s ILE 253 N -1.21 3.09 -0.03 0.64 1.01 -0.57 -0.79 121.20 123.34 1mma s ILE 253 Ca 0.22 0.20 0.18 0.00 0.00 0.00 0.00 60.65 61.25 1mma s ILE 253 Cb -0.11 -3.13 -0.28 0.00 0.01 0.00 0.00 42.46 38.95 1mma s ILE 253 CO 0.14 -0.01 0.38 -1.54 0.00 0.00 0.00 174.94 173.90 1mma n SER 254 N 7.13 0.85 0.00 3.58 3.41 0.61 -4.86 113.62 124.34 1mma n SER 254 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1mma n SER 254 Cb 0.41 1.79 0.00 0.00 -0.26 0.00 0.00 64.21 66.15 1mma n SER 254 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mma n GLY 255 N 1.49 -0.86 3.51 5.00 0.00 0.18 -4.77 105.19 109.75 1mma n GLY 255 Ca -0.05 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 1mma n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mma s ALA 256 N -1.00 -1.77 -0.02 4.61 0.00 -0.54 -0.19 121.76 122.85 1mma s ALA 256 Ca 0.00 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.17 1mma s ALA 256 Cb 0.00 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.19 1mma s ALA 256 CO 0.00 -0.45 -0.03 0.45 0.00 0.00 0.00 175.76 175.73 1mma s SER 257 N -1.53 0.60 -0.18 0.00 0.15 -0.74 -1.51 113.70 110.49 1mma s SER 257 Ca -0.06 -0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.49 1mma s SER 257 Cb -0.00 -0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 64.10 1mma s SER 257 CO 0.03 -0.01 -0.09 -0.63 1.20 0.00 0.00 173.24 173.74 1mma s ILE 258 N 0.43 3.12 -0.22 6.45 1.01 -1.26 -1.27 121.20 129.46 1mma s ILE 258 Ca -0.05 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 1mma s ILE 258 Cb -0.08 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 1mma s ILE 258 CO -0.00 0.48 0.02 -1.58 0.00 0.00 0.00 174.94 173.85 1mma s GLN 259 N 1.02 3.59 0.10 2.79 2.00 0.68 -4.94 119.66 124.90 1mma s GLN 259 Ca -0.01 -0.52 0.01 0.00 -2.00 0.00 0.00 55.36 52.85 1mma s GLN 259 Cb -0.15 -3.17 -0.04 0.00 0.80 0.00 0.00 33.01 30.46 1mma s GLN 259 CO -0.01 -0.10 0.22 -1.54 -0.50 0.00 0.00 175.29 173.36 1mma s SER 260 N 1.33 6.25 0.04 6.67 1.04 -1.26 -0.28 113.70 127.48 1mma s SER 260 Ca 0.04 0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.68 1mma s SER 260 Cb -0.15 -1.88 -0.02 0.00 0.10 0.00 0.00 66.02 64.07 1mma s SER 260 CO 0.01 0.12 -0.06 -0.31 0.98 0.00 0.00 173.24 173.99 1mma s TYR 261 N -1.60 0.50 -1.28 5.02 2.02 0.41 -4.92 117.35 117.50 1mma s TYR 261 Ca 0.34 -0.56 -0.20 0.00 -0.37 0.00 0.00 57.07 56.29 1mma s TYR 261 Cb -0.12 -0.32 0.02 0.00 -0.40 0.00 0.00 41.96 41.14 1mma s TYR 261 CO 0.27 -0.14 0.55 1.28 -1.57 0.00 0.00 175.55 175.94 1mma n LEU 262 N 1.40 -1.35 -4.75 -1.29 4.77 -1.26 -0.91 117.00 113.61 1mma n LEU 262 Ca -0.22 -1.18 -0.41 0.00 -0.03 0.00 0.00 56.01 54.16 1mma n LEU 262 Cb 0.55 -1.91 -0.02 0.00 -2.33 0.00 0.00 43.42 39.71 1mma n LEU 262 CO 0.21 0.61 1.09 -0.22 -1.33 0.00 0.00 177.39 177.75 1mma s LEU 263 N -7.12 4.39 -1.16 2.23 2.96 -1.26 -4.36 118.68 114.36 1mma s LEU 263 Ca 0.33 2.68 -0.19 0.00 -0.22 0.00 0.00 54.13 56.73 1mma s LEU 263 Cb -0.16 -3.63 0.09 0.00 0.50 0.00 0.00 46.19 43.00 1mma s LEU 263 CO 0.94 -0.69 1.53 -0.70 -1.32 0.00 0.00 176.35 176.10 1mma s GLU 264 N -0.54 3.85 0.41 1.98 2.12 -0.21 -4.73 118.70 121.57 1mma s GLU 264 Ca 0.58 -1.84 0.15 0.00 0.36 0.00 0.00 54.97 54.23 1mma s GLU 264 Cb -0.42 -5.32 0.87 0.00 0.26 0.00 0.00 34.13 29.51 1mma s GLU 264 CO 0.45 -2.09 1.88 0.87 -0.54 0.00 0.00 175.26 175.82 1mma h LYS 265 N 8.26 0.00 -0.40 4.30 1.57 -1.90 -2.65 116.57 125.75 1mma h LYS 265 Ca 0.32 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.15 1mma h LYS 265 Cb 0.93 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1mma h LYS 265 CO 1.37 0.30 0.27 0.66 -0.57 0.00 0.00 179.45 181.49 1mma h SER 266 N 0.00 0.29 0.00 0.86 4.64 -1.95 -2.39 113.55 115.00 1mma h SER 266 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mma h SER 266 Cb 0.57 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1mma h SER 266 CO 0.04 0.19 0.09 -0.09 -0.87 0.00 0.00 176.83 176.19 1mma h ARG 267 N 0.33 0.00 -0.02 4.77 2.43 -1.64 -1.59 114.38 118.66 1mma h ARG 267 Ca 0.18 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.21 1mma h ARG 267 Cb 0.28 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1mma h ARG 267 CO -0.04 0.00 -0.60 0.28 -1.51 0.00 0.00 179.97 178.10 1mma h VAL 268 N 0.00 1.42 -0.02 0.20 2.07 -1.63 -3.24 116.25 115.05 1mma h VAL 268 Ca 0.00 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.49 1mma h VAL 268 Cb 0.19 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1mma h VAL 268 CO 0.00 0.59 -0.08 1.33 0.02 0.00 0.00 177.57 179.43 1mma n VAL 269 N -3.84 0.00 -3.63 2.57 0.24 -0.64 -4.83 118.33 108.20 1mma n VAL 269 Ca -0.02 -0.46 -0.04 0.00 -2.04 0.00 0.00 64.34 61.78 1mma n VAL 269 Cb 0.61 1.27 -0.06 0.00 -1.47 0.00 0.00 33.84 34.19 1mma n VAL 269 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1mma s PHE 270 N -1.38 -0.92 -0.01 6.34 5.36 -0.95 -4.92 117.98 121.49 1mma s PHE 270 Ca 0.16 1.79 0.03 0.00 -0.96 0.00 0.00 56.93 57.95 1mma s PHE 270 Cb 0.12 0.55 -0.01 0.00 -0.34 0.00 0.00 43.02 43.35 1mma s PHE 270 CO 0.23 -0.46 -0.09 -0.65 -1.46 0.00 0.00 175.22 172.79 1mma s GLN 271 N 1.74 0.80 0.82 10.12 1.11 -1.26 -4.20 119.66 128.78 1mma s GLN 271 Ca -0.09 -0.33 -0.13 0.00 0.01 0.00 0.00 55.36 54.82 1mma s GLN 271 Cb -0.05 -0.77 0.09 0.00 -1.01 0.00 0.00 33.01 31.27 1mma s GLN 271 CO -0.18 0.19 1.18 -1.12 0.01 0.00 0.00 175.29 175.37 1mma s SER 272 N -0.16 3.59 0.20 5.90 0.01 -1.26 -4.40 113.70 117.58 1mma s SER 272 Ca 0.03 2.29 -0.33 0.00 1.31 0.00 0.00 55.95 59.24 1mma s SER 272 Cb -0.04 -2.58 -0.13 0.00 0.21 0.00 0.00 66.02 63.47 1mma s SER 272 CO -0.00 -2.66 1.56 -0.62 0.41 0.00 0.00 173.24 171.92 1mma n GLU 273 N -3.44 2.25 0.00 12.44 -0.58 -1.26 -1.65 120.64 128.40 1mma n GLU 273 Ca 0.13 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.67 1mma n GLU 273 Cb 0.51 -2.56 0.00 0.00 -0.57 0.00 0.00 31.44 28.82 1mma n GLU 273 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1mma n THR 274 N 3.01 0.00 -2.16 2.62 -2.24 1.01 -4.99 114.28 111.54 1mma n THR 274 Ca 0.15 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.65 1mma n THR 274 Cb 0.31 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.71 1mma n THR 274 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1mma s GLU 275 N -0.41 0.77 0.25 -0.78 2.02 -0.66 -4.58 118.70 115.31 1mma s GLU 275 Ca 0.00 -0.75 0.06 0.00 0.02 0.00 0.00 54.97 54.30 1mma s GLU 275 Cb 0.00 -1.99 -0.05 0.00 0.10 0.00 0.00 34.13 32.18 1mma s GLU 275 CO 0.00 -2.23 -0.07 1.03 0.02 0.00 0.00 175.26 174.01 1mma s ARG 276 N -5.69 1.45 0.33 1.61 0.52 -1.04 -4.26 118.95 111.86 1mma s ARG 276 Ca 0.73 -1.71 -0.06 0.00 -0.52 0.00 0.00 55.73 54.18 1mma s ARG 276 Cb -0.03 -1.04 0.08 0.00 0.52 0.00 0.00 34.95 34.48 1mma s ARG 276 CO 0.51 0.05 0.43 -1.71 0.02 0.00 0.00 175.30 174.59 1mma n ASN 277 N -0.50 -0.15 -4.76 0.23 2.85 -1.26 -4.46 115.26 107.20 1mma n ASN 277 Ca -0.06 -1.10 -0.39 0.00 -0.11 0.00 0.00 54.58 52.92 1mma n ASN 277 Cb 0.63 -0.33 0.01 0.00 1.24 0.00 0.00 39.78 41.32 1mma n ASN 277 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 1mma s TYR 278 N -1.91 2.66 0.18 1.20 2.02 -1.26 -4.53 117.35 115.70 1mma s TYR 278 Ca 0.25 1.39 -0.23 0.00 -0.37 0.00 0.00 57.07 58.11 1mma s TYR 278 Cb -0.01 -3.71 0.07 0.00 -0.40 0.00 0.00 41.96 37.91 1mma s TYR 278 CO 0.17 -2.33 1.42 0.72 -1.57 0.00 0.00 175.55 173.97 1mma n HIS 279 N -0.21 -0.20 -0.59 2.71 8.25 -1.15 -1.77 115.22 122.25 1mma n HIS 279 Ca 0.06 1.14 0.48 0.00 -0.26 0.00 0.00 57.72 59.14 1mma n HIS 279 Cb 0.44 -0.70 0.78 0.00 1.12 0.00 0.00 29.99 31.63 1mma n HIS 279 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1mma h ILE 280 N 0.00 0.08 -0.20 1.59 6.09 -0.91 -0.92 117.51 123.24 1mma h ILE 280 Ca 0.23 0.00 -0.16 0.00 -1.37 0.00 0.00 64.86 63.56 1mma h ILE 280 Cb 0.46 0.08 0.00 0.00 0.47 0.00 0.00 36.82 37.84 1mma h ILE 280 CO -0.89 0.00 -0.51 -0.26 -3.07 0.00 0.00 178.15 173.42 1mma h PHE 281 N 0.00 0.91 0.14 2.19 0.04 -1.63 0.41 116.94 119.00 1mma h PHE 281 Ca 0.83 -0.35 -0.01 0.00 2.80 0.00 0.00 57.97 61.24 1mma h PHE 281 Cb 3.42 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 41.41 1mma h PHE 281 CO 0.00 1.14 -0.07 1.88 -0.60 0.00 0.00 178.31 180.66 1mma h TYR 282 N 0.41 -0.18 -0.57 -0.55 -1.99 -1.35 -0.63 116.97 112.12 1mma h TYR 282 Ca -0.01 -0.00 0.11 0.00 2.00 0.00 0.00 58.73 60.83 1mma h TYR 282 Cb 1.12 0.06 -0.09 0.00 2.00 0.00 0.00 36.73 39.82 1mma h TYR 282 CO 0.09 0.28 0.05 1.96 -0.00 0.00 0.00 178.16 180.54 1mma h GLN 283 N -0.83 0.16 0.87 4.88 4.20 -1.38 0.71 115.11 123.72 1mma h GLN 283 Ca -0.02 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1mma h GLN 283 Cb 0.54 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.29 1mma h GLN 283 CO 0.03 0.11 -0.44 1.25 -0.67 0.00 0.00 178.83 179.11 1mma h LEU 284 N 0.17 -1.06 -0.86 1.46 5.85 -0.19 1.00 115.31 121.68 1mma h LEU 284 Ca 0.30 0.04 0.21 0.00 0.84 0.00 0.00 57.88 59.27 1mma h LEU 284 Cb 0.45 0.28 -0.13 0.00 0.37 0.00 0.00 40.66 41.64 1mma h LEU 284 CO -0.44 -0.73 0.30 -0.07 -0.34 0.00 0.00 178.44 177.15 1mma h LEU 285 N -1.20 0.16 -1.07 2.25 4.07 -0.55 -0.53 115.31 118.43 1mma h LEU 285 Ca -0.12 0.17 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1mma h LEU 285 Cb 0.93 0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1mma h LEU 285 CO 0.18 -0.06 -0.13 0.00 -1.08 0.00 0.00 178.44 177.35 1mma n ALA 286 N -2.60 2.82 0.09 1.53 0.00 0.24 -4.30 120.51 118.29 1mma n ALA 286 Ca 0.20 -0.52 0.01 0.00 0.00 0.00 0.00 53.44 53.14 1mma n ALA 286 Cb 0.62 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 1mma n ALA 286 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mma n GLY 287 N 1.29 0.48 3.75 0.00 0.00 0.34 -4.30 105.19 106.75 1mma n GLY 287 Ca 0.15 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1mma n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mma s ALA 288 N -1.54 2.35 0.22 4.61 0.00 -0.33 -5.01 121.76 122.07 1mma s ALA 288 Ca 0.00 0.68 -0.22 0.00 0.00 0.00 0.00 51.96 52.43 1mma s ALA 288 Cb 0.02 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 1mma s ALA 288 CO 0.12 -1.46 0.77 0.95 0.00 0.00 0.00 175.76 176.14 1mma s THR 289 N -2.18 4.46 0.61 0.00 -4.23 -1.26 -4.86 115.64 108.18 1mma s THR 289 Ca 0.70 1.48 0.10 0.00 -1.18 0.00 0.00 61.69 62.79 1mma s THR 289 Cb -0.24 -3.95 0.15 0.00 1.34 0.00 0.00 72.50 69.80 1mma s THR 289 CO 0.42 0.28 1.06 0.00 -0.54 0.00 0.00 174.62 175.84 1mma n ALA 290 N 0.92 0.39 -0.02 3.99 0.00 -1.26 0.23 120.51 124.75 1mma n ALA 290 Ca -0.02 0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.40 1mma n ALA 290 Cb 0.50 -0.23 -0.14 0.00 0.00 0.00 0.00 19.45 19.58 1mma n ALA 290 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1mma n GLU 291 N -2.70 0.69 0.09 0.00 4.07 -1.26 -3.97 120.64 117.56 1mma n GLU 291 Ca 0.09 0.25 -0.08 0.00 -0.06 0.00 0.00 57.16 57.36 1mma n GLU 291 Cb 1.16 -1.72 0.00 0.00 -0.06 0.00 0.00 31.44 30.82 1mma n GLU 291 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1mma h GLU 292 N 0.03 0.16 -0.01 5.31 5.08 0.26 -2.20 114.58 123.21 1mma h GLU 292 Ca -0.39 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1mma h GLU 292 Cb 2.03 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.32 1mma h GLU 292 CO 0.07 0.92 -0.08 0.87 -1.00 0.00 0.00 179.01 179.79 1mma h LYS 293 N 0.09 -0.08 -0.80 2.33 1.79 -1.50 3.84 116.57 122.23 1mma h LYS 293 Ca -0.04 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1mma h LYS 293 Cb 1.48 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 32.11 1mma h LYS 293 CO 0.13 -0.06 0.43 0.87 -1.08 0.00 0.00 179.45 179.75 1mma h LYS 294 N -0.09 1.11 -0.91 3.15 1.79 -1.69 2.41 116.57 122.34 1mma h LYS 294 Ca 0.00 -0.13 0.17 0.00 -2.18 0.00 0.00 60.65 58.52 1mma h LYS 294 Cb 0.10 -0.22 -0.07 0.00 -1.58 0.00 0.00 32.23 30.46 1mma h LYS 294 CO -0.06 0.81 0.59 0.00 -1.08 0.00 0.00 179.45 179.71 1mma h ALA 295 N 1.36 1.94 -0.39 3.86 0.00 -0.63 0.66 119.26 126.06 1mma h ALA 295 Ca 0.28 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1mma h ALA 295 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1mma h ALA 295 CO -0.05 -0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.27 1mma n LEU 296 N -4.57 3.19 -3.57 0.00 4.77 1.26 -4.90 117.00 113.17 1mma n LEU 296 Ca 0.19 -1.40 -0.27 0.00 -0.03 0.00 0.00 56.01 54.50 1mma n LEU 296 Cb 0.56 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1mma n LEU 296 CO 0.29 0.70 0.03 1.41 -1.33 0.00 0.00 177.39 178.48 1mma n HIS 297 N 1.30 -2.01 -2.24 -1.77 8.25 0.60 -4.91 115.22 114.44 1mma n HIS 297 Ca 0.19 0.66 -0.26 0.00 -0.26 0.00 0.00 57.72 58.05 1mma n HIS 297 Cb 0.56 -3.57 0.10 0.00 1.12 0.00 0.00 29.99 28.20 1mma n HIS 297 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1mma s LEU 298 N -6.87 2.84 0.00 2.41 1.43 0.67 -4.94 118.68 114.23 1mma s LEU 298 Ca 0.51 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1mma s LEU 298 Cb -0.26 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.32 1mma s LEU 298 CO 0.63 -1.92 0.00 0.00 0.23 0.00 0.00 176.35 175.29 1mma n ALA 299 N -3.09 0.00 -2.00 4.21 0.00 -1.26 -4.49 120.51 113.88 1mma n ALA 299 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.21 1mma n ALA 299 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 1mma n ALA 299 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1mma s GLY 300 N -1.44 2.48 0.60 0.00 0.00 -1.26 -4.90 107.32 102.81 1mma s GLY 300 Ca 0.00 0.23 0.28 0.00 0.00 0.00 0.00 44.72 45.23 1mma s GLY 300 CO 0.00 0.53 1.81 -0.56 0.00 0.00 0.00 173.10 174.88 1mma h PRO 301 N 2.57 0.00 -0.90 2.90 0.13 -1.92 0.72 132.00 135.50 1mma h PRO 301 Ca -0.48 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.68 1mma h PRO 301 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 1mma h PRO 301 CO 0.64 0.00 0.59 1.49 -0.23 0.00 0.00 178.00 180.49 1mma h GLU 302 N 0.00 1.11 -0.32 0.86 4.57 -1.92 -0.90 114.58 117.98 1mma h GLU 302 Ca 0.21 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1mma h GLU 302 Cb 1.33 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1mma h GLU 302 CO -0.00 0.73 0.00 -1.13 -1.18 0.00 0.00 179.01 177.43 1mma n SER 303 N -4.51 0.32 -3.92 1.04 3.41 0.25 -4.61 113.62 105.60 1mma n SER 303 Ca 0.11 -1.87 -0.26 0.00 -0.26 0.00 0.00 58.87 56.59 1mma n SER 303 Cb 0.08 -0.16 -0.17 0.00 -0.26 0.00 0.00 64.21 63.70 1mma n SER 303 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1mma s PHE 304 N -1.66 1.46 0.19 7.33 0.08 -0.35 -4.95 117.98 120.08 1mma s PHE 304 Ca 0.00 -0.70 -0.15 0.00 0.12 0.00 0.00 56.93 56.20 1mma s PHE 304 Cb 0.00 -1.20 0.18 0.00 -0.57 0.00 0.00 43.02 41.43 1mma s PHE 304 CO 0.00 -0.48 1.64 -0.91 -0.10 0.00 0.00 175.22 175.37 1mma h ASN 305 N 8.04 -0.50 0.37 1.36 4.21 -1.83 0.87 115.58 128.10 1mma h ASN 305 Ca -0.30 0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.37 1mma h ASN 305 Cb 1.14 0.34 0.00 0.00 -1.12 0.00 0.00 38.32 38.67 1mma h ASN 305 CO 0.41 -0.18 0.00 -1.22 -1.29 0.00 0.00 177.43 175.15 1mma n TYR 306 N -5.38 0.00 -0.34 1.19 4.01 -1.26 -2.96 117.16 112.42 1mma n TYR 306 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1mma n TYR 306 Cb 0.29 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 1mma n TYR 306 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1mma n LEU 307 N -1.42 0.42 -0.99 7.72 4.77 -0.28 -4.74 117.00 122.48 1mma n LEU 307 Ca 0.04 -0.49 0.10 0.00 -0.03 0.00 0.00 56.01 55.64 1mma n LEU 307 Cb 0.14 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.40 1mma n LEU 307 CO 0.11 0.10 0.65 -0.46 -1.33 0.00 0.00 177.39 176.47 1mma n ASN 308 N -0.14 3.18 -0.03 -1.43 2.04 0.29 -4.69 115.26 114.48 1mma n ASN 308 Ca 0.00 -1.92 -0.19 0.00 -0.44 0.00 0.00 54.58 52.03 1mma n ASN 308 Cb 0.08 -0.20 -0.14 0.00 -2.53 0.00 0.00 39.78 37.00 1mma n ASN 308 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1mma n GLN 309 N 1.25 0.72 0.03 -3.83 1.13 -1.24 -4.57 117.38 110.87 1mma n GLN 309 Ca 0.16 0.24 0.14 0.00 -1.94 0.00 0.00 57.00 55.60 1mma n GLN 309 Cb 0.54 -1.68 0.55 0.00 0.11 0.00 0.00 30.24 29.77 1mma n GLN 309 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1mma n SER 310 N -3.36 0.22 0.00 1.08 3.41 -1.26 -4.85 113.62 108.86 1mma n SER 310 Ca -0.33 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1mma n SER 310 Cb 1.04 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1mma n SER 310 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mma n GLY 311 N 1.45 1.06 3.03 5.00 0.00 -1.26 0.33 105.19 114.80 1mma n GLY 311 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1mma n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mma n VAL 313 N 4.15 0.30 -4.13 0.00 0.24 -1.26 -4.64 118.33 112.99 1mma n VAL 313 Ca -0.19 -0.33 -0.11 0.00 -2.04 0.00 0.00 64.34 61.67 1mma n VAL 313 Cb 0.51 0.96 -0.10 0.00 -1.47 0.00 0.00 33.84 33.74 1mma n VAL 313 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1mma s ASP 314 N -0.30 0.95 -0.11 -1.34 1.01 -1.26 -5.02 116.67 110.60 1mma s ASP 314 Ca 0.00 -0.88 0.01 0.00 0.71 0.00 0.00 52.55 52.39 1mma s ASP 314 Cb 0.00 0.10 0.02 0.00 1.01 0.00 0.00 42.92 44.04 1mma s ASP 314 CO 0.00 -0.42 -0.13 -0.63 0.21 0.00 0.00 175.17 174.21 1mma s ILE 315 N -3.05 1.34 -0.19 0.77 1.01 -1.26 -5.04 121.20 114.78 1mma s ILE 315 Ca 0.05 -0.53 -0.29 0.00 0.00 0.00 0.00 60.65 59.88 1mma s ILE 315 Cb 0.01 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1mma s ILE 315 CO -0.04 0.41 1.74 -0.54 0.00 0.00 0.00 174.94 176.52 1mma s LYS 316 N 1.19 3.75 0.00 2.79 1.02 -1.26 -1.39 119.74 125.84 1mma s LYS 316 Ca -0.03 1.84 0.00 0.00 0.02 0.00 0.00 55.97 57.79 1mma s LYS 316 Cb -0.14 -4.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.07 1mma s LYS 316 CO -0.04 -1.36 0.00 0.41 -0.92 0.00 0.00 175.35 173.44 1mma n GLY 317 N 4.80 0.98 2.94 -3.33 0.00 -1.26 -5.09 105.19 104.23 1mma n GLY 317 Ca 0.20 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1mma n GLY 317 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mma s VAL 318 N -2.00 0.62 -0.41 1.61 1.01 -0.49 -5.11 120.40 115.64 1mma s VAL 318 Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 1mma s VAL 318 Cb 0.00 -0.60 0.10 0.00 0.00 0.00 0.00 36.38 35.88 1mma s VAL 318 CO 0.00 0.22 0.22 -0.55 0.00 0.00 0.00 175.10 174.99 1mma s SER 319 N 0.53 5.40 0.42 3.32 0.15 -1.26 -4.60 113.70 117.65 1mma s SER 319 Ca -0.08 -1.78 0.10 0.00 0.70 0.00 0.00 55.95 54.90 1mma s SER 319 Cb -0.11 -1.89 0.94 0.00 -1.71 0.00 0.00 66.02 63.24 1mma s SER 319 CO 0.00 -0.54 2.01 0.44 1.20 0.00 0.00 173.24 176.36 1mma h ASP 320 N 8.21 0.44 0.66 5.45 3.32 -1.94 0.22 116.42 132.78 1mma h ASP 320 Ca -0.18 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 1mma h ASP 320 Cb 1.06 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1mma h ASP 320 CO 0.72 0.29 -0.43 0.77 -1.72 0.00 0.00 179.24 178.87 1mma h SER 321 N 0.50 -1.10 -0.35 6.45 4.64 -1.87 -0.13 113.55 121.70 1mma h SER 321 Ca 0.23 0.06 0.01 0.00 -0.47 0.00 0.00 61.79 61.62 1mma h SER 321 Cb 0.27 0.33 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 1mma h SER 321 CO -0.06 -0.64 0.22 -0.33 -0.87 0.00 0.00 176.83 175.15 1mma h GLU 322 N -1.02 0.44 -0.18 4.77 5.08 -1.75 -1.79 114.58 120.12 1mma h GLU 322 Ca -0.09 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1mma h GLU 322 Cb 0.83 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1mma h GLU 322 CO 0.07 0.29 0.18 0.93 -1.00 0.00 0.00 179.01 179.49 1mma h GLU 323 N 0.45 0.00 -0.16 2.33 4.39 -0.41 -0.37 114.58 120.82 1mma h GLU 323 Ca 0.13 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.73 1mma h GLU 323 Cb -0.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1mma h GLU 323 CO -0.04 0.00 -0.36 0.35 -1.16 0.00 0.00 179.01 177.79 1mma h PHE 324 N 0.00 0.39 0.49 4.33 3.57 -0.11 -2.67 116.94 122.94 1mma h PHE 324 Ca 0.09 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1mma h PHE 324 Cb 0.45 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1mma h PHE 324 CO 0.00 0.66 -0.42 0.87 -2.23 0.00 0.00 178.31 177.19 1mma h LYS 325 N 0.29 -0.87 -0.17 1.11 1.57 -0.97 -1.66 116.57 115.86 1mma h LYS 325 Ca 0.03 0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1mma h LYS 325 Cb 0.78 0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.25 1mma h LYS 325 CO 0.06 -0.58 -0.27 0.82 -0.57 0.00 0.00 179.45 178.91 1mma h ILE 326 N -0.91 0.00 -0.72 1.86 2.04 -1.51 1.07 117.51 119.34 1mma h ILE 326 Ca -0.05 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.93 1mma h ILE 326 Cb 0.78 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.73 1mma h ILE 326 CO -0.02 0.00 -0.34 0.74 0.00 0.00 0.00 178.15 178.53 1mma h THR 327 N -0.21 0.12 0.37 -0.27 2.02 -1.48 2.52 112.91 115.98 1mma h THR 327 Ca 0.03 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 1mma h THR 327 Cb 0.30 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1mma h THR 327 CO -0.28 0.00 -0.36 0.03 0.37 0.00 0.00 175.52 175.29 1mma h ARG 328 N -0.10 -0.72 -0.77 6.66 3.08 -0.92 0.45 114.38 122.06 1mma h ARG 328 Ca 0.28 0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.52 1mma h ARG 328 Cb 0.57 0.16 -0.10 0.00 0.08 0.00 0.00 29.97 30.68 1mma h ARG 328 CO -0.78 -0.48 0.31 0.37 -1.07 0.00 0.00 179.97 178.32 1mma h GLN 329 N -0.75 0.44 -0.56 0.04 4.15 0.51 0.61 115.11 119.55 1mma h GLN 329 Ca -0.03 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.30 1mma h GLN 329 Cb 0.67 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 1mma h GLN 329 CO -0.06 0.29 0.09 0.00 -1.93 0.00 0.00 178.83 177.22 1mma h ALA 330 N 1.56 1.10 -0.72 3.38 0.00 0.47 -2.42 119.26 122.63 1mma h ALA 330 Ca 0.42 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1mma h ALA 330 Cb 0.65 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1mma h ALA 330 CO -0.41 0.59 0.43 0.52 0.00 0.00 0.00 179.25 180.38 1mma h MET 331 N 0.85 0.79 -0.10 0.00 2.86 0.49 -0.17 114.93 119.66 1mma h MET 331 Ca 0.18 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1mma h MET 331 Cb 0.38 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 1mma h MET 331 CO 0.01 0.52 0.05 -0.44 1.06 0.00 0.00 176.91 178.12 1mma h ASP 332 N 0.82 0.12 0.28 1.22 3.32 -0.96 0.55 116.42 121.76 1mma h ASP 332 Ca 0.31 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1mma h ASP 332 Cb 0.11 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1mma h ASP 332 CO -0.15 0.16 -0.48 0.40 -1.72 0.00 0.00 179.24 177.45 1mma h ILE 333 N 0.07 0.00 -0.77 0.35 2.04 -0.88 -2.11 117.51 116.22 1mma h ILE 333 Ca 0.03 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.04 1mma h ILE 333 Cb 0.06 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.05 1mma h ILE 333 CO -0.01 0.00 0.32 0.58 0.00 0.00 0.00 178.15 179.05 1mma h VAL 334 N -0.81 0.67 0.00 1.67 2.07 -1.03 -3.46 116.25 115.37 1mma h VAL 334 Ca -0.03 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1mma h VAL 334 Cb 0.75 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1mma h VAL 334 CO -0.17 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.12 1mma n GLY 335 N -1.32 0.64 3.76 2.17 0.00 -0.03 -4.95 105.19 105.46 1mma n GLY 335 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1mma n GLY 335 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mma s PHE 336 N -0.96 3.02 0.28 1.61 0.40 0.17 -4.95 117.98 117.56 1mma s PHE 336 Ca 0.00 1.29 -0.29 0.00 -0.60 0.00 0.00 56.93 57.33 1mma s PHE 336 Cb 0.00 -3.73 -0.10 0.00 0.51 0.00 0.00 43.02 39.70 1mma s PHE 336 CO 0.00 -2.13 1.20 0.45 0.70 0.00 0.00 175.22 175.44 1mma s SER 337 N -0.21 7.05 0.35 1.36 0.15 -1.26 -4.60 113.70 116.54 1mma s SER 337 Ca 0.52 2.42 0.16 0.00 0.70 0.00 0.00 55.95 59.76 1mma s SER 337 Cb -0.40 -2.63 1.13 0.00 -1.71 0.00 0.00 66.02 62.40 1mma s SER 337 CO 0.50 -0.33 1.66 1.56 1.20 0.00 0.00 173.24 177.83 1mma h GLN 338 N 3.93 0.29 -0.06 5.44 1.08 -1.99 0.84 115.11 124.64 1mma h GLN 338 Ca -0.47 -0.02 -0.20 0.00 -1.45 0.00 0.00 58.65 56.51 1mma h GLN 338 Cb 1.22 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.58 1mma h GLN 338 CO 0.68 0.19 -0.80 0.93 -0.95 0.00 0.00 178.83 178.88 1mma h GLU 339 N 0.30 0.43 -0.78 1.46 3.07 -1.98 -0.79 114.58 116.28 1mma h GLU 339 Ca 0.74 -0.38 -0.03 0.00 -0.50 0.00 0.00 59.36 59.19 1mma h GLU 339 Cb 1.76 0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 29.73 1mma h GLU 339 CO -0.59 1.03 0.38 0.93 -1.40 0.00 0.00 179.01 179.37 1mma h GLU 340 N 0.28 1.12 0.83 2.33 5.08 0.14 0.23 114.58 124.59 1mma h GLU 340 Ca -0.05 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1mma h GLU 340 Cb 1.39 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 30.45 1mma h GLU 340 CO 0.14 0.86 -0.40 1.96 -1.00 0.00 0.00 179.01 180.57 1mma h GLN 341 N 1.10 -1.08 -0.76 2.33 4.20 -0.27 0.28 115.11 120.91 1mma h GLN 341 Ca 0.27 0.07 0.17 0.00 0.06 0.00 0.00 58.65 59.22 1mma h GLN 341 Cb 0.11 0.24 -0.12 0.00 0.30 0.00 0.00 27.48 28.01 1mma h GLN 341 CO -0.04 -0.71 0.17 1.98 -0.67 0.00 0.00 178.83 179.56 1mma h MET 342 N -1.16 0.24 -0.79 1.46 4.05 -0.87 0.37 114.93 118.23 1mma h MET 342 Ca -0.11 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.26 1mma h MET 342 Cb 0.86 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.57 1mma h MET 342 CO 0.19 0.16 0.36 0.77 0.23 0.00 0.00 176.91 178.61 1mma h SER 343 N 0.24 1.05 -0.34 1.39 0.02 -0.19 0.41 113.55 116.13 1mma h SER 343 Ca 0.44 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1mma h SER 343 Cb 0.77 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1mma h SER 343 CO -0.55 0.91 0.22 0.40 -1.14 0.00 0.00 176.83 176.67 1mma h ILE 344 N 1.13 1.10 0.01 3.27 2.04 0.34 -2.11 117.51 123.28 1mma h ILE 344 Ca 0.27 -0.20 -0.23 0.00 1.00 0.00 0.00 64.86 65.69 1mma h ILE 344 Cb 0.15 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1mma h ILE 344 CO -0.03 0.10 -1.18 -0.26 0.00 0.00 0.00 178.15 176.78 1mma h PHE 345 N 0.48 0.05 -0.68 1.37 0.04 0.15 -3.14 116.94 115.20 1mma h PHE 345 Ca 0.13 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 1mma h PHE 345 Cb -0.03 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 1mma h PHE 345 CO 0.00 1.03 0.34 0.87 -0.60 0.00 0.00 178.31 179.95 1mma h LYS 346 N 0.01 0.96 0.02 1.51 1.57 0.31 0.17 116.57 121.11 1mma h LYS 346 Ca -0.08 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1mma h LYS 346 Cb 1.84 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.97 1mma h LYS 346 CO 0.13 0.73 -0.01 0.82 -0.57 0.00 0.00 179.45 180.54 1mma h ILE 347 N 0.96 1.20 0.11 1.86 2.04 -1.42 1.65 117.51 123.90 1mma h ILE 347 Ca 0.24 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.45 1mma h ILE 347 Cb 0.07 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1mma h ILE 347 CO -0.03 0.17 -0.25 0.40 0.00 0.00 0.00 178.15 178.44 1mma h ILE 348 N -0.31 0.45 -0.04 -0.67 1.08 -1.46 0.94 117.51 117.49 1mma h ILE 348 Ca -0.00 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.47 1mma h ILE 348 Cb 0.30 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 1mma h ILE 348 CO 0.00 0.00 -0.00 0.00 -0.69 0.00 0.00 178.15 177.46 1mma h ALA 349 N 0.31 0.04 -0.18 1.87 0.00 -0.54 0.21 119.26 120.97 1mma h ALA 349 Ca 0.03 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1mma h ALA 349 Cb 0.48 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1mma h ALA 349 CO -0.15 -0.48 -0.48 0.78 0.00 0.00 0.00 179.25 178.92 1mma h GLY 350 N 0.01 -1.15 -0.13 0.00 0.00 0.29 0.79 103.07 102.88 1mma h GLY 350 Ca 0.02 0.70 0.29 0.00 0.00 0.00 0.00 47.33 48.34 1mma h GLY 350 CO -0.03 -0.24 0.73 -2.22 0.00 0.00 0.00 176.54 174.78 1mma h ILE 351 N -0.47 0.49 -0.29 2.60 2.04 0.16 0.56 117.51 122.60 1mma h ILE 351 Ca 0.04 -0.05 -0.16 0.00 1.00 0.00 0.00 64.86 65.68 1mma h ILE 351 Cb 0.57 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1mma h ILE 351 CO -0.42 0.03 -0.46 -0.07 0.00 0.00 0.00 178.15 177.23 1mma h LEU 352 N 0.16 0.91 -0.17 1.44 3.38 0.12 -2.68 115.31 118.46 1mma h LEU 352 Ca 0.54 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1mma h LEU 352 Cb 1.82 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 1mma h LEU 352 CO -0.12 1.25 0.11 0.45 0.09 0.00 0.00 178.44 180.22 1mma h HIS 353 N 0.59 0.21 -0.88 1.13 3.86 0.11 -1.99 115.15 118.17 1mma h HIS 353 Ca 0.02 0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.37 1mma h HIS 353 Cb 1.07 -0.07 -0.07 0.00 1.06 0.00 0.00 27.41 29.40 1mma h HIS 353 CO 0.07 0.13 0.57 -0.07 0.86 0.00 0.00 177.93 179.49 1mma h LEU 354 N 0.23 0.68 -2.08 2.43 3.38 -1.44 0.60 115.31 119.11 1mma h LEU 354 Ca 0.06 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1mma h LEU 354 Cb -0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1mma h LEU 354 CO -0.02 0.36 -0.06 1.23 0.09 0.00 0.00 178.44 180.04 1mma h GLY 355 N 0.73 0.00 1.88 0.83 0.00 -1.01 -2.78 103.07 102.72 1mma h GLY 355 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1mma h GLY 355 CO -0.20 0.00 -0.11 3.43 0.00 0.00 0.00 176.54 179.66 1mma h ASN 356 N 0.00 0.00 -3.68 0.19 2.35 0.37 -3.43 115.58 111.38 1mma h ASN 356 Ca -0.00 -0.01 -0.56 0.00 -0.55 0.00 0.00 56.30 55.18 1mma h ASN 356 Cb 0.29 0.00 0.15 0.00 0.05 0.00 0.00 38.32 38.81 1mma h ASN 356 CO 0.01 0.00 0.36 -0.38 -1.65 0.00 0.00 177.43 175.78 1mma n ILE 357 N -2.80 3.48 -3.77 2.81 5.41 -1.04 -4.85 119.36 118.59 1mma n ILE 357 Ca 0.04 -0.50 -0.29 0.00 1.00 0.00 0.00 62.75 63.01 1mma n ILE 357 Cb 0.50 -1.40 -0.16 0.00 -0.71 0.00 0.00 39.64 37.87 1mma n ILE 357 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1mma s LYS 358 N -2.65 0.84 -0.13 0.38 2.20 -1.26 -5.07 119.74 114.05 1mma s LYS 358 Ca 0.71 -0.65 -0.22 0.00 -0.36 0.00 0.00 55.97 55.45 1mma s LYS 358 Cb -0.45 -2.17 -0.03 0.00 -1.51 0.00 0.00 37.83 33.67 1mma s LYS 358 CO 0.50 -0.70 0.66 -0.06 -0.36 0.00 0.00 175.35 175.40 1mma s PHE 359 N 1.73 3.48 0.21 4.03 0.08 -1.26 -4.66 117.98 121.58 1mma s PHE 359 Ca 0.00 1.09 0.10 0.00 0.12 0.00 0.00 56.93 58.24 1mma s PHE 359 Cb -0.17 -2.79 -0.04 0.00 -0.57 0.00 0.00 43.02 39.44 1mma s PHE 359 CO -0.11 -0.03 -0.19 -1.21 -0.10 0.00 0.00 175.22 173.58 1mma s GLU 360 N 1.32 1.44 -0.57 0.44 2.02 -1.17 -4.92 118.70 117.26 1mma s GLU 360 Ca 0.33 -1.55 -0.27 0.00 0.02 0.00 0.00 54.97 53.50 1mma s GLU 360 Cb -0.17 -1.52 0.03 0.00 0.10 0.00 0.00 34.13 32.58 1mma s GLU 360 CO 0.14 0.30 1.12 0.21 0.02 0.00 0.00 175.26 177.05 1mma s LYS 361 N -3.07 3.46 -0.03 1.61 2.20 -1.26 -1.12 119.74 121.53 1mma s LYS 361 Ca 0.21 0.10 0.11 0.00 -0.36 0.00 0.00 55.97 56.03 1mma s LYS 361 Cb -0.05 -4.03 0.36 0.00 -1.51 0.00 0.00 37.83 32.60 1mma s LYS 361 CO 0.09 -1.63 1.24 0.41 -0.36 0.00 0.00 175.35 175.11 1mma n GLY 362 N 5.08 1.15 0.00 5.54 0.00 -1.01 -4.78 105.19 111.17 1mma n GLY 362 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1mma n GLY 362 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mma n ALA 363 N 0.54 0.00 0.00 4.61 0.00 -1.26 -5.01 120.51 119.38 1mma n ALA 363 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1mma n ALA 363 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1mma n ALA 363 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mma n GLY 364 N 0.00 -0.60 2.46 0.00 0.00 -1.26 -4.98 105.19 100.80 1mma n GLY 364 Ca 0.00 0.80 -0.19 0.00 0.00 0.00 0.00 46.02 46.63 1mma n GLY 364 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mma n GLU 365 N 0.00 -2.04 -3.77 1.61 4.07 -1.26 -4.98 120.64 114.27 1mma n GLU 365 Ca 0.00 0.91 -0.13 0.00 -0.06 0.00 0.00 57.16 57.88 1mma n GLU 365 Cb 0.00 -5.49 -0.14 0.00 -0.06 0.00 0.00 31.44 25.75 1mma n GLU 365 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1mma s GLY 366 N -2.24 -0.04 0.32 8.31 0.00 -1.26 -3.47 107.32 108.93 1mma s GLY 366 Ca 0.05 0.60 -0.15 0.00 0.00 0.00 0.00 44.72 45.22 1mma s GLY 366 CO 0.06 0.83 0.74 0.00 0.00 0.00 0.00 173.10 174.73 1mma s ALA 367 N 0.92 3.32 0.06 3.20 0.00 -0.09 -2.41 121.76 126.76 1mma s ALA 367 Ca -0.07 0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.01 1mma s ALA 367 Cb -0.09 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 1mma s ALA 367 CO -0.05 0.33 -0.20 0.14 0.00 0.00 0.00 175.76 175.99 1mma s VAL 368 N -1.97 1.62 -0.94 0.00 -7.23 -0.27 -4.81 120.40 106.80 1mma s VAL 368 Ca 0.54 -1.29 -0.03 0.00 -1.81 0.00 0.00 61.98 59.39 1mma s VAL 368 Cb -0.10 -1.44 0.24 0.00 0.56 0.00 0.00 36.38 35.64 1mma s VAL 368 CO 0.17 0.09 0.90 -0.11 -0.31 0.00 0.00 175.10 175.84 1mma n LEU 369 N 1.59 4.58 -0.27 1.32 7.94 -1.26 -3.03 117.00 127.87 1mma n LEU 369 Ca -0.18 -5.14 -0.05 0.00 -1.11 0.00 0.00 56.01 49.53 1mma n LEU 369 Cb 0.54 -1.16 0.06 0.00 0.53 0.00 0.00 43.42 43.39 1mma n LEU 369 CO 0.23 1.56 1.11 0.11 -1.11 0.00 0.00 177.39 179.29 1mma h LYS 370 N 5.96 1.06 -4.66 1.96 1.57 -1.95 -3.38 116.57 117.13 1mma h LYS 370 Ca 0.17 -0.13 -0.70 0.00 -1.87 0.00 0.00 60.65 58.12 1mma h LYS 370 Cb 0.80 -0.20 -0.25 0.00 0.08 0.00 0.00 32.23 32.65 1mma h LYS 370 CO 0.92 0.79 -0.55 0.34 -0.57 0.00 0.00 179.45 180.38 1mma s ASP 371 N -6.09 5.56 0.00 0.86 2.15 -1.26 -4.92 116.67 112.97 1mma s ASP 371 Ca -0.13 -0.92 0.08 0.00 0.43 0.00 0.00 52.55 52.01 1mma s ASP 371 Cb 0.15 -1.98 0.33 0.00 -0.30 0.00 0.00 42.92 41.12 1mma s ASP 371 CO 0.80 -0.33 1.24 2.29 -0.17 0.00 0.00 175.17 179.01 1mma n LYS 372 N 4.95 1.35 0.00 4.34 2.85 -1.26 -4.54 118.16 125.85 1mma n LYS 372 Ca -0.12 -0.55 0.00 0.00 -1.05 0.00 0.00 58.31 56.59 1mma n LYS 372 Cb 0.46 -1.17 0.00 0.00 -0.65 0.00 0.00 35.03 33.67 1mma n LYS 372 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1mma n THR 373 N -0.10 0.00 -0.27 0.58 -1.04 -1.26 -1.37 114.28 110.82 1mma n THR 373 Ca 0.08 0.52 0.20 0.00 -2.04 0.00 0.00 64.05 62.80 1mma n THR 373 Cb 0.14 -1.35 0.37 0.00 -1.82 0.00 0.00 70.33 67.67 1mma n THR 373 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mma n ALA 374 N -2.90 0.65 0.20 2.41 0.00 -1.26 0.10 120.51 119.72 1mma n ALA 374 Ca 0.00 0.86 -0.17 0.00 0.00 0.00 0.00 53.44 54.13 1mma n ALA 374 Cb 0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 19.45 18.61 1mma n ALA 374 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1mma h LEU 375 N 0.00 -1.43 -0.88 0.00 5.85 -1.81 -0.28 115.31 116.77 1mma h LEU 375 Ca 0.61 0.13 0.22 0.00 0.84 0.00 0.00 57.88 59.68 1mma h LEU 375 Cb 1.47 0.50 -0.13 0.00 0.37 0.00 0.00 40.66 42.87 1mma h LEU 375 CO -0.70 -0.60 0.35 0.78 -0.34 0.00 0.00 178.44 177.93 1mma h ASN 376 N -0.86 0.25 -0.24 1.25 2.35 0.20 -1.02 115.58 117.51 1mma h ASN 376 Ca -0.03 0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1mma h ASN 376 Cb 0.80 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 1mma h ASN 376 CO -0.17 -0.03 0.10 0.00 -1.65 0.00 0.00 177.43 175.68 1mma h ALA 377 N 1.71 0.31 -0.25 -0.83 0.00 -1.11 0.15 119.26 119.24 1mma h ALA 377 Ca 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1mma h ALA 377 Cb 1.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1mma h ALA 377 CO -0.55 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 178.59 1mma n ALA 378 N -2.24 -0.41 -0.34 0.00 0.00 -0.18 -1.66 120.51 115.68 1mma n ALA 378 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 1mma n ALA 378 Cb 0.12 0.05 -0.08 0.00 0.00 0.00 0.00 19.45 19.54 1mma n ALA 378 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1mma n SER 379 N -1.98 -0.86 -0.23 0.00 7.64 -0.52 -0.76 113.62 116.90 1mma n SER 379 Ca 0.00 1.59 -0.01 0.00 1.01 0.00 0.00 58.87 61.46 1mma n SER 379 Cb 0.00 -0.26 0.06 0.00 -1.01 0.00 0.00 64.21 63.00 1mma n SER 379 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1mma h THR 380 N 0.00 0.26 0.00 0.44 2.02 -1.00 1.73 112.91 116.36 1mma h THR 380 Ca 0.13 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.22 1mma h THR 380 Cb 0.33 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1mma h THR 380 CO -0.77 0.00 -0.45 1.62 0.37 0.00 0.00 175.52 176.29 1mma h VAL 381 N -0.04 1.19 0.00 3.16 3.04 -0.08 -2.88 116.25 120.64 1mma h VAL 381 Ca 0.31 -1.63 0.00 0.00 -1.01 0.00 0.00 66.70 64.38 1mma h VAL 381 Cb 0.52 1.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 1mma h VAL 381 CO -0.71 0.44 -0.23 -0.26 -1.01 0.00 0.00 177.57 175.79 1mma h PHE 382 N 0.00 0.00 -3.85 3.17 0.04 0.17 -3.45 116.94 113.02 1mma h PHE 382 Ca -0.00 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.51 1mma h PHE 382 Cb 0.87 0.00 0.08 0.00 2.20 0.00 0.00 35.95 39.10 1mma h PHE 382 CO 0.00 0.00 -0.42 0.41 -0.60 0.00 0.00 178.31 177.70 1mma n GLY 383 N 1.25 -0.01 3.85 -1.45 0.00 0.55 -4.12 105.19 105.26 1mma n GLY 383 Ca 0.04 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 1mma n GLY 383 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mma s VAL 384 N -3.15 1.55 -0.48 1.61 -7.23 -0.80 0.75 120.40 112.65 1mma s VAL 384 Ca 0.34 -1.66 -0.12 0.00 -1.81 0.00 0.00 61.98 58.73 1mma s VAL 384 Cb -0.15 -2.21 0.10 0.00 0.56 0.00 0.00 36.38 34.69 1mma s VAL 384 CO 0.42 0.00 0.38 0.21 -0.31 0.00 0.00 175.10 175.80 1mma s ASN 385 N -4.13 5.92 0.22 4.85 2.47 -1.26 -4.50 114.94 118.50 1mma s ASN 385 Ca 0.26 -1.66 0.11 0.00 0.42 0.00 0.00 52.86 51.98 1mma s ASN 385 Cb -0.01 -2.10 0.75 0.00 -1.45 0.00 0.00 41.25 38.44 1mma s ASN 385 CO 0.16 -0.70 0.95 -2.65 -3.72 0.00 0.00 177.10 171.14 1mma n PRO 386 N 5.07 -0.04 0.08 0.43 -0.02 -1.26 0.80 135.00 140.07 1mma n PRO 386 Ca -0.11 0.84 -0.02 0.00 -2.02 0.00 0.00 63.50 62.19 1mma n PRO 386 Cb 0.42 -1.48 0.22 0.00 -0.02 0.00 0.00 33.50 32.63 1mma n PRO 386 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1mma h SER 387 N 0.00 0.29 0.29 2.55 0.87 -2.00 -2.88 113.55 112.67 1mma h SER 387 Ca 0.48 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.91 1mma h SER 387 Cb 1.24 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1mma h SER 387 CO -0.48 0.66 -1.73 0.52 -0.53 0.00 0.00 176.83 175.27 1mma n VAL 388 N -4.04 0.23 0.03 2.23 0.31 0.24 -3.14 118.33 114.19 1mma n VAL 388 Ca -0.01 -0.53 -0.12 0.00 -0.01 0.00 0.00 64.34 63.67 1mma n VAL 388 Cb 0.47 -0.12 -0.08 0.00 -0.91 0.00 0.00 33.84 33.20 1mma n VAL 388 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1mma h LEU 389 N 0.00 -0.01 -0.49 7.52 5.85 -1.41 0.17 115.31 126.94 1mma h LEU 389 Ca -0.02 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.66 1mma h LEU 389 Cb 1.05 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.00 1mma h LEU 389 CO 0.00 0.12 0.06 -0.08 -0.34 0.00 0.00 178.44 178.20 1mma h GLU 390 N -0.15 0.17 -0.06 1.25 4.81 -1.65 1.57 114.58 120.54 1mma h GLU 390 Ca -0.00 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 1mma h GLU 390 Cb 0.14 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1mma h GLU 390 CO 0.00 0.12 -0.66 0.87 -0.73 0.00 0.00 179.01 178.61 1mma h LYS 391 N 0.18 0.26 -0.33 1.92 1.57 -1.48 0.25 116.57 118.94 1mma h LYS 391 Ca 0.25 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 1mma h LYS 391 Cb 0.35 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1mma h LYS 391 CO -0.36 0.83 -0.25 0.00 -0.57 0.00 0.00 179.45 179.10 1mma h ALA 392 N 1.12 0.95 0.21 3.86 0.00 0.13 0.49 119.26 126.01 1mma h ALA 392 Ca -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1mma h ALA 392 Cb 1.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1mma h ALA 392 CO 0.10 0.61 -0.10 -0.07 0.00 0.00 0.00 179.25 179.79 1mma h LEU 393 N 0.58 -0.24 0.00 0.00 3.38 0.25 -3.36 115.31 115.92 1mma h LEU 393 Ca 0.08 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1mma h LEU 393 Cb 0.72 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1mma h LEU 393 CO 0.06 0.24 -0.65 0.24 0.09 0.00 0.00 178.44 178.41 1mma h MET 394 N -1.07 0.00 -2.02 1.13 2.86 -0.56 -3.42 114.93 111.85 1mma h MET 394 Ca -0.03 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.08 1mma h MET 394 Cb 0.25 0.00 -0.35 0.00 0.06 0.00 0.00 31.60 31.56 1mma h MET 394 CO 0.05 0.29 -0.96 0.39 1.06 0.00 0.00 176.91 177.73 1mma n GLU 395 N -3.06 0.41 -2.68 1.72 1.02 0.17 -1.43 120.64 116.80 1mma n GLU 395 Ca -0.00 -3.03 -0.36 0.00 -0.02 0.00 0.00 57.16 53.75 1mma n GLU 395 Cb 0.69 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.56 1mma n GLU 395 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1mma s PRO 396 N -0.25 4.36 0.10 3.49 0.04 -1.14 -4.32 135.00 137.28 1mma s PRO 396 Ca 0.33 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.46 1mma s PRO 396 Cb 0.09 -2.61 -0.05 0.00 0.04 0.00 0.00 34.50 31.96 1mma s PRO 396 CO -0.16 0.06 1.00 1.03 0.04 0.00 0.00 177.00 178.97 1mma s ARG 397 N -2.39 4.63 -0.06 4.56 0.52 -1.26 0.88 118.95 125.84 1mma s ARG 397 Ca 0.55 1.51 0.03 0.00 -0.52 0.00 0.00 55.73 57.30 1mma s ARG 397 Cb -0.19 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 31.91 1mma s ARG 397 CO 0.24 0.10 -0.17 0.42 0.02 0.00 0.00 175.30 175.92 1mma s ILE 398 N 0.24 1.44 0.03 1.52 -1.09 1.24 -4.86 121.20 119.73 1mma s ILE 398 Ca 0.49 -0.69 -0.30 0.00 -2.23 0.00 0.00 60.65 57.92 1mma s ILE 398 Cb -0.24 -1.27 -0.05 0.00 -1.58 0.00 0.00 42.46 39.32 1mma s ILE 398 CO 0.30 0.42 1.24 -0.22 -1.23 0.00 0.00 174.94 175.46 1mma s LEU 399 N 0.34 4.34 -0.03 2.97 0.20 -1.26 -1.32 118.68 123.93 1mma s LEU 399 Ca -0.11 2.01 0.09 0.00 0.69 0.00 0.00 54.13 56.80 1mma s LEU 399 Cb -0.15 -3.57 0.15 0.00 -0.43 0.00 0.00 46.19 42.20 1mma s LEU 399 CO 0.04 -0.55 1.07 0.00 -0.29 0.00 0.00 176.35 176.62 1mma n ALA 400 N 4.43 2.19 0.00 5.97 0.00 0.18 -4.98 120.51 128.30 1mma n ALA 400 Ca 0.10 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 51.93 1mma n ALA 400 Cb 0.46 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1mma n ALA 400 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mma n GLY 401 N -0.12 -0.27 0.05 0.00 0.00 -1.26 -4.66 105.19 98.93 1mma n GLY 401 Ca 0.04 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.16 1mma n GLY 401 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mma n ARG 402 N 0.00 0.64 -1.91 1.61 1.74 -1.26 -4.93 116.66 112.55 1mma n ARG 402 Ca 0.00 -0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.60 1mma n ARG 402 Cb 0.00 -1.63 -0.03 0.00 -1.02 0.00 0.00 32.46 29.78 1mma n ARG 402 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1mma s ASP 403 N -4.92 6.55 -0.50 0.55 1.11 -1.26 -5.00 116.67 113.20 1mma s ASP 403 Ca -0.06 2.68 0.02 0.00 0.18 0.00 0.00 52.55 55.38 1mma s ASP 403 Cb 0.12 -2.60 0.13 0.00 1.07 0.00 0.00 42.92 41.63 1mma s ASP 403 CO 0.86 -0.83 0.26 -0.22 1.18 0.00 0.00 175.17 176.42 1mma s LEU 404 N 0.74 4.63 -0.06 1.23 2.96 -1.26 0.51 118.68 127.43 1mma s LEU 404 Ca 0.68 -2.78 -0.03 0.00 -0.22 0.00 0.00 54.13 51.78 1mma s LEU 404 Cb -0.44 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1mma s LEU 404 CO 0.35 -0.30 0.11 -0.69 -1.32 0.00 0.00 176.35 174.50 1mma s VAL 405 N 0.04 5.07 0.12 1.68 1.01 -0.43 -4.74 120.40 123.14 1mma s VAL 405 Ca 0.15 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 1mma s VAL 405 Cb -0.23 -3.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 1mma s VAL 405 CO -0.02 0.48 1.07 0.00 0.00 0.00 0.00 175.10 176.63 1mma s ALA 406 N -1.12 3.32 -0.11 5.51 0.00 -1.26 0.39 121.76 128.48 1mma s ALA 406 Ca 0.20 0.73 0.03 0.00 0.00 0.00 0.00 51.96 52.92 1mma s ALA 406 Cb -0.12 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.65 1mma s ALA 406 CO 0.10 -0.22 -0.21 -0.65 0.00 0.00 0.00 175.76 174.78 1mma s GLN 407 N 0.18 2.84 -0.43 0.00 -0.21 0.26 -4.86 119.66 117.44 1mma s GLN 407 Ca 0.51 -0.80 -0.25 0.00 0.02 0.00 0.00 55.36 54.85 1mma s GLN 407 Cb -0.27 -2.24 0.02 0.00 1.00 0.00 0.00 33.01 31.52 1mma s GLN 407 CO 0.32 0.06 0.88 -1.58 -2.12 0.00 0.00 175.29 172.85 1mma s HIS 408 N 0.64 2.99 0.20 0.91 2.46 -1.26 -2.92 115.29 118.31 1mma s HIS 408 Ca -0.12 0.45 -0.21 0.00 0.47 0.00 0.00 55.06 55.64 1mma s HIS 408 Cb -0.16 -3.77 -0.08 0.00 -0.13 0.00 0.00 32.58 28.43 1mma s HIS 408 CO 0.03 -0.97 0.74 -0.51 -2.47 0.00 0.00 174.74 171.55 1mma s LEU 409 N 3.53 4.42 0.00 8.88 1.43 -0.51 -4.82 118.68 131.60 1mma s LEU 409 Ca 0.35 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 1mma s LEU 409 Cb -0.11 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1mma s LEU 409 CO 0.23 0.09 0.00 -0.46 0.23 0.00 0.00 176.35 176.44 1mma n ASN 410 N 0.99 -0.31 0.01 2.29 0.23 -1.23 -0.92 115.26 116.33 1mma n ASN 410 Ca -0.03 -0.07 -0.18 0.00 -0.53 0.00 0.00 54.58 53.77 1mma n ASN 410 Cb 0.50 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 38.06 1mma n ASN 410 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1mma h VAL 411 N -0.92 1.60 0.10 3.53 2.07 -1.87 -2.88 116.25 117.89 1mma h VAL 411 Ca 0.00 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1mma h VAL 411 Cb 0.00 3.25 -0.02 0.00 -1.52 0.00 0.00 31.29 33.00 1mma h VAL 411 CO 0.00 0.68 -0.29 -0.08 0.02 0.00 0.00 177.57 177.91 1mma h GLU 412 N -0.56 -0.42 -0.81 1.57 4.81 -1.93 -1.46 114.58 115.78 1mma h GLU 412 Ca -0.10 0.03 0.21 0.00 -0.13 0.00 0.00 59.36 59.37 1mma h GLU 412 Cb 1.44 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.87 1mma h GLU 412 CO 0.11 -0.28 0.56 0.87 -0.73 0.00 0.00 179.01 179.54 1mma h LYS 413 N -0.44 0.17 -0.10 1.92 1.57 -1.94 0.23 116.57 117.98 1mma h LYS 413 Ca -0.01 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.58 1mma h LYS 413 Cb 0.42 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1mma h LYS 413 CO -0.13 0.11 -0.70 0.77 -0.57 0.00 0.00 179.45 178.92 1mma h SER 414 N 0.17 0.54 -0.11 0.86 0.02 -1.15 -3.04 113.55 110.85 1mma h SER 414 Ca 0.40 -0.34 -0.17 0.00 -0.84 0.00 0.00 61.79 60.84 1mma h SER 414 Cb 1.32 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 1mma h SER 414 CO -0.07 1.08 -0.52 -1.28 -1.14 0.00 0.00 176.83 174.90 1mma h SER 415 N 0.32 0.76 -0.36 3.07 0.87 0.47 -2.31 113.55 116.37 1mma h SER 415 Ca -0.03 -0.39 -0.07 0.00 -1.23 0.00 0.00 61.79 60.07 1mma h SER 415 Cb 1.28 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 1mma h SER 415 CO 0.12 1.14 -0.00 0.28 -0.53 0.00 0.00 176.83 177.84 1mma h SER 416 N 0.53 0.70 -0.13 6.23 0.02 -1.48 0.15 113.55 119.59 1mma h SER 416 Ca 0.02 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.73 1mma h SER 416 Cb 1.09 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 1mma h SER 416 CO 0.11 0.78 -0.21 -1.28 -1.14 0.00 0.00 176.83 175.08 1mma h SER 417 N 0.69 0.40 -0.80 3.07 0.87 -1.48 0.34 113.55 116.64 1mma h SER 417 Ca 0.14 -0.54 0.13 0.00 -1.23 0.00 0.00 61.79 60.29 1mma h SER 417 Cb 0.43 -0.12 -0.09 0.00 -0.44 0.00 0.00 62.40 62.19 1mma h SER 417 CO 0.02 0.86 0.40 -0.09 -0.53 0.00 0.00 176.83 177.49 1mma h ARG 418 N -0.04 0.57 -0.45 2.24 1.12 -1.11 0.77 114.38 117.48 1mma h ARG 418 Ca 0.01 -0.03 -0.14 0.00 -1.11 0.00 0.00 59.98 58.71 1mma h ARG 418 Cb 0.78 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.60 1mma h ARG 418 CO 0.05 0.38 -0.27 -0.44 -3.11 0.00 0.00 179.97 176.58 1mma h ASP 419 N 0.59 1.01 -0.45 -3.80 3.32 -0.31 -0.65 116.42 116.13 1mma h ASP 419 Ca 0.43 -0.42 0.03 0.00 0.02 0.00 0.00 57.03 57.10 1mma h ASP 419 Cb 0.59 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1mma h ASP 419 CO -0.35 1.21 0.30 0.00 -1.72 0.00 0.00 179.24 178.68 1mma h ALA 420 N 0.83 1.83 -0.13 3.45 0.00 0.76 -0.78 119.26 125.23 1mma h ALA 420 Ca 0.09 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1mma h ALA 420 Cb 0.85 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1mma h ALA 420 CO 0.08 0.12 -0.28 1.25 0.00 0.00 0.00 179.25 180.41 1mma h LEU 421 N 0.47 0.47 -1.26 0.00 5.85 -0.45 -2.08 115.31 118.32 1mma h LEU 421 Ca 0.18 -0.57 0.04 0.00 0.84 0.00 0.00 57.88 58.37 1mma h LEU 421 Cb 0.14 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 1mma h LEU 421 CO -0.04 0.95 0.52 0.58 -0.34 0.00 0.00 178.44 180.11 1mma h VAL 422 N 0.01 1.11 0.03 1.05 2.07 -0.23 -2.28 116.25 118.01 1mma h VAL 422 Ca 0.00 -0.33 -0.24 0.00 0.82 0.00 0.00 66.70 66.95 1mma h VAL 422 Cb 0.88 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1mma h VAL 422 CO 0.06 0.18 -1.01 0.11 0.02 0.00 0.00 177.57 176.92 1mma h LYS 423 N 0.96 0.40 -0.26 1.57 1.57 -1.09 -2.09 116.57 117.63 1mma h LYS 423 Ca 0.32 -0.47 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 1mma h LYS 423 Cb 0.07 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1mma h LYS 423 CO -0.10 1.14 -0.04 0.00 -0.57 0.00 0.00 179.45 179.89 1mma h ALA 424 N 0.68 0.36 -0.07 3.86 0.00 -1.15 0.39 119.26 123.33 1mma h ALA 424 Ca -0.10 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1mma h ALA 424 Cb 1.67 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 1mma h ALA 424 CO 0.18 0.14 -0.14 -0.07 0.00 0.00 0.00 179.25 179.36 1mma h LEU 425 N 0.25 -0.41 -0.38 0.00 3.38 -1.46 2.30 115.31 118.99 1mma h LEU 425 Ca 0.07 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1mma h LEU 425 Cb 0.50 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1mma h LEU 425 CO 0.02 -0.19 0.20 0.22 0.09 0.00 0.00 178.44 178.78 1mma h TYR 426 N -0.19 0.52 -0.51 1.13 3.20 -1.29 0.19 116.97 120.03 1mma h TYR 426 Ca 0.07 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 1mma h TYR 426 Cb 0.29 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1mma h TYR 426 CO -0.23 0.42 0.05 0.78 -1.64 0.00 0.00 178.16 177.55 1mma h GLY 427 N 0.47 0.93 0.99 1.82 0.00 0.43 -2.45 103.07 105.26 1mma h GLY 427 Ca 0.13 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 1mma h GLY 427 CO -0.02 0.59 0.29 3.21 0.00 0.00 0.00 176.54 180.61 1mma h ARG 428 N 0.73 0.83 -0.64 4.80 3.08 0.42 -2.37 114.38 121.22 1mma h ARG 428 Ca 0.15 -0.12 0.02 0.00 0.07 0.00 0.00 59.98 60.10 1mma h ARG 428 Cb 0.44 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1mma h ARG 428 CO 0.02 0.67 0.41 1.25 -1.07 0.00 0.00 179.97 181.25 1mma h LEU 429 N 0.79 0.70 -0.42 3.04 6.46 -0.88 -1.61 115.31 123.40 1mma h LEU 429 Ca 0.20 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 1mma h LEU 429 Cb 0.10 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 1mma h LEU 429 CO -0.03 0.50 0.20 0.15 -0.62 0.00 0.00 178.44 178.64 1mma h PHE 430 N 0.83 0.60 -0.72 1.25 3.57 -1.28 0.10 116.94 121.29 1mma h PHE 430 Ca 0.25 -0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.83 1mma h PHE 430 Cb -0.05 -0.19 -0.08 0.00 2.79 0.00 0.00 35.95 38.43 1mma h PHE 430 CO -0.04 0.49 0.31 -0.07 -2.23 0.00 0.00 178.31 176.78 1mma h LEU 431 N 0.53 0.35 -0.46 0.59 3.38 -0.90 -1.63 115.31 117.17 1mma h LEU 431 Ca 0.14 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 1mma h LEU 431 Cb 0.12 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1mma h LEU 431 CO -0.02 0.17 -0.09 -0.25 0.09 0.00 0.00 178.44 178.34 1mma h TRP 432 N 0.51 0.99 -0.67 1.13 7.01 -0.66 -2.63 115.95 121.62 1mma h TRP 432 Ca 0.37 -0.21 0.03 0.00 2.11 0.00 0.00 58.89 61.20 1mma h TRP 432 Cb 0.49 -0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 27.26 1mma h TRP 432 CO -0.14 0.97 0.41 -0.07 -2.79 0.00 0.00 178.44 176.82 1mma h LEU 433 N 0.72 0.67 -0.50 0.65 3.38 -0.09 -0.30 115.31 119.84 1mma h LEU 433 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1mma h LEU 433 Cb 0.64 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1mma h LEU 433 CO 0.04 0.46 0.23 0.58 0.09 0.00 0.00 178.44 179.84 1mma h VAL 434 N 0.80 1.20 0.57 1.22 2.07 -1.14 -1.39 116.25 119.58 1mma h VAL 434 Ca 0.27 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1mma h VAL 434 Cb 0.04 0.65 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1mma h VAL 434 CO -0.12 0.22 -0.27 0.11 0.02 0.00 0.00 177.57 177.53 1mma h LYS 435 N 0.66 -0.74 -1.05 1.57 1.57 -1.16 0.05 116.57 117.48 1mma h LYS 435 Ca 0.17 0.05 0.30 0.00 -1.87 0.00 0.00 60.65 59.30 1mma h LYS 435 Cb 0.13 0.17 -0.13 0.00 0.08 0.00 0.00 32.23 32.48 1mma h LYS 435 CO -0.02 -0.43 0.63 0.87 -0.57 0.00 0.00 179.45 179.93 1mma h LYS 436 N -1.00 0.38 -0.22 3.15 1.57 -1.08 0.78 116.57 120.16 1mma h LYS 436 Ca -0.08 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.49 1mma h LYS 436 Cb 0.65 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1mma h LYS 436 CO 0.13 0.25 -0.60 0.82 -0.57 0.00 0.00 179.45 179.48 1mma h ILE 437 N 0.39 1.29 -0.56 1.86 2.04 -1.01 -2.92 117.51 118.61 1mma h ILE 437 Ca 0.69 -1.80 -0.04 0.00 1.00 0.00 0.00 64.86 64.71 1mma h ILE 437 Cb 1.60 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 39.48 1mma h ILE 437 CO -0.48 0.58 0.20 0.78 0.00 0.00 0.00 178.15 179.23 1mma h ASN 438 N 0.53 0.75 -0.72 1.72 2.35 0.21 0.13 115.58 120.55 1mma h ASN 438 Ca -0.01 -0.10 0.06 0.00 -0.55 0.00 0.00 56.30 55.70 1mma h ASN 438 Cb 1.22 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 39.34 1mma h ASN 438 CO 0.13 0.69 0.41 0.78 -1.65 0.00 0.00 177.43 177.79 1mma h ASN 439 N 0.80 0.61 0.02 5.81 -0.26 0.39 1.90 115.58 124.84 1mma h ASN 439 Ca 0.19 0.03 -0.22 0.00 -0.56 0.00 0.00 56.30 55.74 1mma h ASN 439 Cb 0.20 -0.09 0.01 0.00 -1.06 0.00 0.00 38.32 37.38 1mma h ASN 439 CO -0.01 0.38 -0.80 0.58 -1.06 0.00 0.00 177.43 176.52 1mma h VAL 440 N 0.74 1.31 0.00 2.81 2.07 -1.12 -3.37 116.25 118.69 1mma h VAL 440 Ca 0.32 -2.08 -0.34 0.00 0.82 0.00 0.00 66.70 65.42 1mma h VAL 440 Cb 0.21 2.09 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 1mma h VAL 440 CO -0.19 0.65 -2.16 0.18 0.02 0.00 0.00 177.57 176.07 1mma n LEU 441 N -3.89 0.44 -4.77 2.57 4.77 0.36 -5.01 117.00 111.47 1mma n LEU 441 Ca -0.07 0.14 -0.40 0.00 -0.03 0.00 0.00 56.01 55.65 1mma n LEU 441 Cb 0.76 0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 42.15 1mma n LEU 441 CO 0.52 0.48 0.97 0.00 -1.33 0.00 0.00 177.39 178.03 1mma s GLN 443 N -1.99 0.63 -0.93 0.00 2.00 -1.26 -4.88 119.66 113.22 1mma s GLN 443 Ca 0.52 -0.24 -0.00 0.00 -2.00 0.00 0.00 55.36 53.64 1mma s GLN 443 Cb -0.39 -1.74 0.31 0.00 0.80 0.00 0.00 33.01 31.99 1mma s GLN 443 CO 0.51 -0.53 1.44 -1.91 -0.50 0.00 0.00 175.29 174.30 1mma n GLU 444 N 5.09 4.42 0.00 1.67 4.07 -1.26 -3.37 120.64 131.26 1mma n GLU 444 Ca -0.08 -4.66 0.00 0.00 -0.06 0.00 0.00 57.16 52.35 1mma n GLU 444 Cb 0.48 -2.42 0.00 0.00 -0.06 0.00 0.00 31.44 29.44 1mma n GLU 444 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1mma n ARG 445 N 0.50 0.00 -1.67 5.31 0.63 -1.26 -5.09 116.66 115.08 1mma n ARG 445 Ca 0.35 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.89 1mma n ARG 445 Cb 0.32 -0.18 0.03 0.00 0.45 0.00 0.00 32.46 33.08 1mma n ARG 445 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1mma n LYS 446 N 0.00 1.42 -0.05 -0.14 -0.00 -1.22 -4.91 118.16 113.27 1mma n LYS 446 Ca 0.00 0.52 -0.21 0.00 -0.00 0.00 0.00 58.31 58.62 1mma n LYS 446 Cb 0.13 -2.31 -0.13 0.00 -0.00 0.00 0.00 35.03 32.72 1mma n LYS 446 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1mma h ALA 447 N 1.28 0.25 -3.97 0.58 0.00 -1.67 -3.50 119.26 112.23 1mma h ALA 447 Ca -0.48 -1.15 -0.26 0.00 0.00 0.00 0.00 54.91 53.01 1mma h ALA 447 Cb 1.33 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 19.66 1mma h ALA 447 CO 0.56 0.79 -0.11 0.66 0.00 0.00 0.00 179.25 181.14 1mma n TYR 448 N -4.14 -1.56 -3.45 0.00 4.02 -0.69 -4.98 117.16 106.35 1mma n TYR 448 Ca -0.28 -2.36 -0.11 0.00 -0.01 0.00 0.00 57.90 55.14 1mma n TYR 448 Cb 0.79 0.60 -0.02 0.00 -0.02 0.00 0.00 39.34 40.69 1mma n TYR 448 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 1mma s PHE 449 N -2.80 -0.47 -0.14 -0.72 -0.12 -1.26 -1.11 117.98 111.36 1mma s PHE 449 Ca 0.28 0.30 -0.00 0.00 -0.05 0.00 0.00 56.93 57.47 1mma s PHE 449 Cb -0.01 0.55 0.03 0.00 -0.63 0.00 0.00 43.02 42.95 1mma s PHE 449 CO 0.20 -0.73 -0.09 0.42 -0.05 0.00 0.00 175.22 174.97 1mma s ILE 450 N -3.47 1.26 -0.07 -4.49 1.01 0.82 -1.86 121.20 114.40 1mma s ILE 450 Ca 0.02 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 1mma s ILE 450 Cb -0.01 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 1mma s ILE 450 CO -0.11 0.34 -0.02 -0.83 0.00 0.00 0.00 174.94 174.32 1mma s GLY 451 N 1.60 1.81 -0.19 6.18 0.00 0.16 0.06 107.32 116.93 1mma s GLY 451 Ca 0.04 -0.85 -0.03 0.00 0.00 0.00 0.00 44.72 43.88 1mma s GLY 451 CO -0.09 -0.62 -0.07 0.14 0.00 0.00 0.00 173.10 172.46 1mma s VAL 452 N -0.88 3.30 -0.26 1.40 1.01 0.84 0.13 120.40 125.94 1mma s VAL 452 Ca 0.14 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 1mma s VAL 452 Cb -0.11 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1mma s VAL 452 CO 0.03 0.46 0.17 -0.22 0.00 0.00 0.00 175.10 175.54 1mma s LEU 453 N 1.10 4.02 -0.38 3.92 2.96 0.27 -0.88 118.68 129.69 1mma s LEU 453 Ca 0.01 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 1mma s LEU 453 Cb -0.15 -2.10 0.11 0.00 0.50 0.00 0.00 46.19 44.55 1mma s LEU 453 CO -0.01 -0.01 0.11 -0.62 -1.32 0.00 0.00 176.35 174.51 1mma s ASP 454 N 1.49 4.48 0.07 3.68 2.15 0.51 -1.25 116.67 127.79 1mma s ASP 454 Ca 0.07 -2.29 -0.11 0.00 0.43 0.00 0.00 52.55 50.66 1mma s ASP 454 Cb -0.15 -1.47 0.01 0.00 -0.30 0.00 0.00 42.92 41.01 1mma s ASP 454 CO 0.08 -0.35 0.23 0.27 -0.17 0.00 0.00 175.17 175.24 1mma s ILE 455 N 0.73 0.12 0.74 4.11 -4.36 -1.22 -1.85 121.20 119.47 1mma s ILE 455 Ca 0.13 -0.95 -0.15 0.00 -0.26 0.00 0.00 60.65 59.42 1mma s ILE 455 Cb -0.21 -1.13 0.05 0.00 1.25 0.00 0.00 42.46 42.42 1mma s ILE 455 CO -0.08 -0.52 1.21 -0.55 0.24 0.00 0.00 174.94 175.23 1mma s SER 456 N -2.50 4.08 0.37 4.36 0.15 -1.26 -4.27 113.70 114.63 1mma s SER 456 Ca 0.00 2.37 0.00 0.00 0.70 0.00 0.00 55.95 59.03 1mma s SER 456 Cb 0.02 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1mma s SER 456 CO -0.08 -2.34 0.00 0.61 1.20 0.00 0.00 173.24 172.63 1mma n GLY 457 N 0.44 -0.35 3.68 9.45 0.00 -1.14 -4.76 105.19 112.50 1mma n GLY 457 Ca 0.14 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 1mma n GLY 457 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mma n PHE 458 N -0.82 2.10 -3.90 1.61 3.72 -1.26 -4.83 117.46 114.07 1mma n PHE 458 Ca 0.00 0.55 -0.27 0.00 -0.05 0.00 0.00 57.45 57.68 1mma n PHE 458 Cb 0.00 -2.40 -0.17 0.00 -0.94 0.00 0.00 39.48 35.97 1mma n PHE 458 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 1mma s GLU 459 N -1.52 1.50 -0.52 -1.08 -1.05 -1.26 -4.82 118.70 109.96 1mma s GLU 459 Ca 0.59 -0.37 0.04 0.00 -0.15 0.00 0.00 54.97 55.07 1mma s GLU 459 Cb -0.61 -1.78 0.13 0.00 -0.44 0.00 0.00 34.13 31.43 1mma s GLU 459 CO 0.59 -0.34 0.26 0.42 0.95 0.00 0.00 175.26 177.15 1mma s ILE 460 N 1.67 2.56 0.60 1.83 1.01 -1.26 -4.93 121.20 122.68 1mma s ILE 460 Ca 0.03 -3.33 0.05 0.00 0.00 0.00 0.00 60.65 57.41 1mma s ILE 460 Cb -0.14 -2.78 0.09 0.00 0.01 0.00 0.00 42.46 39.64 1mma s ILE 460 CO -0.08 -0.81 0.83 -0.36 0.00 0.00 0.00 174.94 174.52 1mma s PHE 461 N -0.30 1.76 0.14 3.97 0.08 -1.26 -5.02 117.98 117.35 1mma s PHE 461 Ca 0.17 -0.48 -0.19 0.00 0.12 0.00 0.00 56.93 56.54 1mma s PHE 461 Cb -0.26 -2.52 0.02 0.00 -0.57 0.00 0.00 43.02 39.69 1mma s PHE 461 CO -0.00 -1.21 1.68 0.87 -0.10 0.00 0.00 175.22 176.45 1mma h LYS 462 N 0.00 -0.05 -5.05 0.44 1.57 -2.00 -3.39 116.57 108.10 1mma h LYS 462 Ca -0.34 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.80 1mma h LYS 462 Cb 1.28 0.01 -0.34 0.00 0.08 0.00 0.00 32.23 33.26 1mma h LYS 462 CO 0.42 -0.03 -0.86 0.54 -0.57 0.00 0.00 179.45 178.95 1mma s VAL 463 N -6.19 1.83 -0.17 0.50 0.11 -1.26 -5.09 120.40 110.13 1mma s VAL 463 Ca -0.14 -0.86 -0.03 0.00 -2.93 0.00 0.00 61.98 58.03 1mma s VAL 463 Cb 0.12 -1.63 -0.02 0.00 -1.53 0.00 0.00 36.38 33.32 1mma s VAL 463 CO 0.69 0.51 -0.06 0.20 -3.33 0.00 0.00 175.10 173.10 1mma s ASN 464 N 0.76 4.41 0.00 3.54 0.01 -1.26 -5.05 114.94 117.35 1mma s ASN 464 Ca -0.10 -0.28 0.00 0.00 -0.71 0.00 0.00 52.86 51.77 1mma s ASN 464 Cb -0.16 -1.72 0.00 0.00 0.41 0.00 0.00 41.25 39.78 1mma s ASN 464 CO 0.01 0.10 0.00 -0.24 -1.51 0.00 0.00 177.10 175.46 1mma n SER 465 N 3.99 1.77 -0.35 -1.22 2.88 -1.26 -1.33 113.62 118.10 1mma n SER 465 Ca -0.18 -0.74 0.10 0.00 -1.33 0.00 0.00 58.87 56.73 1mma n SER 465 Cb 0.52 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 64.26 1mma n SER 465 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1mma h PHE 466 N 0.65 1.04 -0.58 0.66 3.57 -1.91 -2.38 116.94 118.00 1mma h PHE 466 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1mma h PHE 466 Cb 0.00 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.40 1mma h PHE 466 CO 0.00 0.28 0.35 0.93 -2.23 0.00 0.00 178.31 177.65 1mma h GLU 467 N 0.80 0.78 -0.26 1.11 3.07 -1.98 -1.35 114.58 116.75 1mma h GLU 467 Ca 0.54 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 59.29 1mma h GLU 467 Cb 0.75 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 1mma h GLU 467 CO -0.35 0.55 -0.00 1.96 -1.40 0.00 0.00 179.01 179.77 1mma h GLN 468 N 0.78 0.39 -0.50 2.33 7.50 -1.82 -2.14 115.11 121.64 1mma h GLN 468 Ca 0.21 -0.07 -0.08 0.00 0.50 0.00 0.00 58.65 59.21 1mma h GLN 468 Cb -0.03 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.42 1mma h GLN 468 CO -0.04 0.42 0.01 1.25 -1.50 0.00 0.00 178.83 178.97 1mma h LEU 469 N 0.38 0.86 0.54 1.46 5.85 -0.83 -1.47 115.31 122.10 1mma h LEU 469 Ca 0.09 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1mma h LEU 469 Cb 0.26 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1mma h LEU 469 CO 0.01 0.95 -0.39 0.00 -0.34 0.00 0.00 178.44 178.67 1mma h ILE 471 N -0.89 0.56 0.00 0.00 2.04 -1.42 -0.09 117.51 117.72 1mma h ILE 471 Ca -0.07 -0.20 -0.12 0.00 1.00 0.00 0.00 64.86 65.47 1mma h ILE 471 Cb 0.73 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1mma h ILE 471 CO 0.04 0.10 -0.57 0.78 0.00 0.00 0.00 178.15 178.50 1mma h ASN 472 N 0.57 0.00 -0.05 1.72 2.35 -0.90 -0.05 115.58 119.21 1mma h ASN 472 Ca 0.60 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.35 1mma h ASN 472 Cb 1.10 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.46 1mma h ASN 472 CO -0.47 0.57 0.01 0.22 -1.65 0.00 0.00 177.43 176.11 1mma h TYR 473 N 0.00 0.09 -0.24 1.19 3.20 0.12 -0.68 116.97 120.66 1mma h TYR 473 Ca -0.01 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.90 1mma h TYR 473 Cb 1.24 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 39.43 1mma h TYR 473 CO 0.00 0.33 -0.06 1.15 -1.64 0.00 0.00 178.16 177.93 1mma h THR 474 N -0.16 0.76 -0.06 1.81 2.02 -0.89 0.26 112.91 116.64 1mma h THR 474 Ca 0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.21 1mma h THR 474 Cb 0.28 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1mma h THR 474 CO 0.00 0.00 0.04 0.78 0.37 0.00 0.00 175.52 176.72 1mma h ASN 475 N -0.00 0.01 -0.49 4.18 2.35 -0.88 0.14 115.58 120.87 1mma h ASN 475 Ca 0.11 -0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.74 1mma h ASN 475 Cb 0.18 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1mma h ASN 475 CO -0.25 0.00 -0.17 -0.08 -1.65 0.00 0.00 177.43 175.29 1mma h GLU 476 N 0.01 0.99 -0.16 0.81 4.57 0.10 0.34 114.58 121.25 1mma h GLU 476 Ca 0.03 -0.40 -0.18 0.00 -1.18 0.00 0.00 59.36 57.63 1mma h GLU 476 Cb 0.11 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1mma h GLU 476 CO -0.00 1.07 -0.65 0.87 -1.18 0.00 0.00 179.01 179.12 1mma h LYS 477 N 0.87 0.60 -0.12 1.92 1.57 0.27 -2.53 116.57 119.16 1mma h LYS 477 Ca 0.12 -0.43 -0.09 0.00 -1.87 0.00 0.00 60.65 58.39 1mma h LYS 477 Cb 0.74 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1mma h LYS 477 CO 0.06 1.05 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.61 1mma h LEU 478 N 0.44 0.22 -0.17 2.94 3.38 -0.52 -1.81 115.31 119.78 1mma h LEU 478 Ca -0.02 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.67 1mma h LEU 478 Cb 1.23 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1mma h LEU 478 CO 0.12 0.53 -0.96 -0.61 0.09 0.00 0.00 178.44 177.62 1mma h GLN 479 N 0.20 0.15 -0.41 1.13 5.75 -0.88 -2.22 115.11 118.83 1mma h GLN 479 Ca 0.03 -0.19 -0.13 0.00 -0.15 0.00 0.00 58.65 58.21 1mma h GLN 479 Cb 0.65 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.25 1mma h GLN 479 CO 0.05 0.99 -0.27 0.37 -2.65 0.00 0.00 178.83 177.32 1mma h GLN 480 N 0.07 0.86 -0.64 1.69 4.15 -0.99 -1.17 115.11 119.08 1mma h GLN 480 Ca -0.05 -0.38 0.05 0.00 0.77 0.00 0.00 58.65 59.04 1mma h GLN 480 Cb 1.63 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 29.25 1mma h GLN 480 CO 0.14 1.02 0.36 0.35 -1.93 0.00 0.00 178.83 178.78 1mma h PHE 481 N 0.73 0.66 0.04 3.99 3.57 -1.31 0.48 116.94 125.10 1mma h PHE 481 Ca 0.09 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1mma h PHE 481 Cb 0.82 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.36 1mma h PHE 481 CO 0.05 0.33 -0.02 0.35 -2.23 0.00 0.00 178.31 176.78 1mma h PHE 482 N 0.67 -0.05 -0.59 0.41 3.57 -1.21 -0.27 116.94 119.48 1mma h PHE 482 Ca 0.28 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1mma h PHE 482 Cb 0.16 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1mma h PHE 482 CO -0.08 0.01 0.32 -0.91 -2.23 0.00 0.00 178.31 175.42 1mma h ASN 483 N -0.09 0.73 -0.02 0.41 -0.26 -0.46 -0.74 115.58 115.15 1mma h ASN 483 Ca -0.01 -0.09 -0.00 0.00 -0.56 0.00 0.00 56.30 55.64 1mma h ASN 483 Cb 0.08 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.15 1mma h ASN 483 CO 0.01 0.61 0.01 -0.74 -1.06 0.00 0.00 177.43 176.26 1mma h HIS 484 N 0.80 0.03 -1.00 1.19 2.76 0.01 -1.41 115.15 117.53 1mma h HIS 484 Ca 0.21 -0.00 0.21 0.00 -2.20 0.00 0.00 60.37 58.59 1mma h HIS 484 Cb 0.04 -0.01 -0.10 0.00 1.55 0.00 0.00 27.41 28.89 1mma h HIS 484 CO -0.01 0.10 0.62 1.25 -1.30 0.00 0.00 177.93 178.58 1mma h HIS 485 N -0.05 0.96 0.00 5.26 -0.00 -0.81 0.17 115.15 120.68 1mma h HIS 485 Ca 0.01 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.32 1mma h HIS 485 Cb 0.08 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.19 1mma h HIS 485 CO -0.05 0.17 -0.42 1.98 -0.00 0.00 0.00 177.93 179.61 1mma h MET 486 N 0.65 0.00 0.02 5.26 -1.53 -0.60 -2.72 114.93 116.00 1mma h MET 486 Ca 0.58 0.00 -0.27 0.00 -3.44 0.00 0.00 59.70 56.58 1mma h MET 486 Cb 1.07 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 32.08 1mma h MET 486 CO -0.37 0.42 -1.44 0.35 0.14 0.00 0.00 176.91 176.01 1mma h PHE 487 N 0.00 0.07 0.07 1.39 3.04 0.32 -3.19 116.94 118.65 1mma h PHE 487 Ca -0.00 -0.05 0.02 0.00 3.98 0.00 0.00 57.97 61.91 1mma h PHE 487 Cb 1.10 -0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.57 1mma h PHE 487 CO 0.00 1.07 -0.26 0.87 -2.02 0.00 0.00 178.31 177.98 1mma h LYS 488 N 0.01 -0.42 -0.29 1.11 1.57 -0.84 0.45 116.57 118.15 1mma h LYS 488 Ca -0.19 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1mma h LYS 488 Cb 1.93 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 34.28 1mma h LYS 488 CO 0.11 -0.28 -0.36 -0.07 -0.57 0.00 0.00 179.45 178.28 1mma h LEU 489 N -0.44 -1.21 -0.04 2.94 3.38 -1.59 0.60 115.31 118.95 1mma h LEU 489 Ca 0.04 0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.20 1mma h LEU 489 Cb 0.49 0.50 -0.06 0.00 0.09 0.00 0.00 40.66 41.68 1mma h LEU 489 CO -0.18 -0.25 -0.52 -0.33 0.09 0.00 0.00 178.44 177.25 1mma h GLU 490 N -0.23 -0.61 -0.53 1.13 4.39 -1.44 0.77 114.58 118.05 1mma h GLU 490 Ca 0.05 0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.89 1mma h GLU 490 Cb 0.37 0.14 -0.11 0.00 -0.10 0.00 0.00 28.75 29.05 1mma h GLU 490 CO -0.40 -0.40 -0.34 1.96 -1.16 0.00 0.00 179.01 178.67 1mma h GLN 491 N -0.63 -0.19 -0.27 2.33 1.08 0.46 -2.04 115.11 115.84 1mma h GLN 491 Ca 0.02 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 1mma h GLN 491 Cb 0.69 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 1mma h GLN 491 CO -0.37 -0.12 0.10 1.05 -0.95 0.00 0.00 178.83 178.54 1mma h GLU 492 N -0.19 0.42 -0.06 1.46 -0.00 0.93 -2.17 114.58 114.97 1mma h GLU 492 Ca 0.21 -0.08 0.00 0.00 -0.00 0.00 0.00 59.36 59.49 1mma h GLU 492 Cb 0.55 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 29.23 1mma h GLU 492 CO -0.64 0.45 0.00 -1.91 -0.00 0.00 0.00 179.01 176.92 1mma n GLU 493 N -4.75 0.23 -2.51 1.06 2.13 0.26 -2.11 120.64 114.96 1mma n GLU 493 Ca -0.02 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.65 1mma n GLU 493 Cb 0.14 -1.03 0.03 0.00 0.27 0.00 0.00 31.44 30.85 1mma n GLU 493 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1mma n TYR 494 N -0.28 2.11 -1.93 4.31 4.02 -0.82 -5.00 117.16 119.58 1mma n TYR 494 Ca 0.00 -2.54 -0.23 0.00 -0.01 0.00 0.00 57.90 55.11 1mma n TYR 494 Cb 0.01 -0.26 -0.06 0.00 -0.02 0.00 0.00 39.34 39.01 1mma n TYR 494 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1mma s LEU 495 N -3.53 3.01 0.00 7.72 1.98 -0.89 -4.56 118.68 122.41 1mma s LEU 495 Ca 0.38 -0.79 0.00 0.00 -2.89 0.00 0.00 54.13 50.83 1mma s LEU 495 Cb 0.40 -2.57 0.00 0.00 0.66 0.00 0.00 46.19 44.68 1mma s LEU 495 CO -0.03 -3.21 0.00 1.17 -1.89 0.00 0.00 176.35 172.39 1mma n LYS 496 N 8.66 0.00 0.00 1.98 4.81 -1.26 -5.18 118.16 127.17 1mma n LYS 496 Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1mma n LYS 496 Cb 0.46 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.51 1mma n LYS 496 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1mma n GLU 497 N 0.00 0.00 0.00 1.64 0.28 -1.26 -5.23 120.64 116.07 1mma n GLU 497 Ca 0.00 0.41 0.00 0.00 -0.16 0.00 0.00 57.16 57.41 1mma n GLU 497 Cb 0.00 -1.38 0.00 0.00 1.43 0.00 0.00 31.44 31.49 1mma n GLU 497 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 1mma n ILE 504 N -1.74 0.00 -1.90 3.84 0.13 -1.26 -5.26 119.36 113.18 1mma n ILE 504 Ca 0.00 0.00 -0.42 0.00 -1.10 0.00 0.00 62.75 61.23 1mma n ILE 504 Cb 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 38.77 1mma n ILE 504 CO 0.00 0.00 0.00 -1.81 2.80 0.00 0.00 176.55 177.54 1mma s ASP 505 N 0.00 6.59 0.05 9.51 1.11 -1.26 -4.93 116.67 127.74 1mma s ASP 505 Ca 0.00 2.41 0.19 0.00 0.18 0.00 0.00 52.55 55.33 1mma s ASP 505 Cb 0.00 -2.54 -0.15 0.00 1.07 0.00 0.00 42.92 41.30 1mma s ASP 505 CO 0.00 -0.95 0.74 0.49 1.18 0.00 0.00 175.17 176.62 1mma n PHE 506 N 6.88 0.76 1.90 4.23 3.72 -1.26 -4.02 117.46 129.66 1mma n PHE 506 Ca 0.18 0.25 0.13 0.00 -0.05 0.00 0.00 57.45 57.95 1mma n PHE 506 Cb 0.42 -0.98 0.79 0.00 -0.94 0.00 0.00 39.48 38.76 1mma n PHE 506 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1mma n GLY 507 N 1.38 -0.95 0.15 1.37 0.00 -1.26 -3.04 105.19 102.84 1mma n GLY 507 Ca -0.10 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1mma n GLY 507 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1mma h LEU 508 N 0.00 0.00 -1.93 0.99 3.38 -1.95 -2.99 115.31 112.81 1mma h LEU 508 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1mma h LEU 508 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1mma h LEU 508 CO 0.00 0.55 -0.04 0.44 0.09 0.00 0.00 178.44 179.48 1mma h ASP 509 N 0.00 0.00 0.44 -0.43 3.32 -1.81 -1.54 116.42 116.40 1mma h ASP 509 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1mma h ASP 509 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1mma h ASP 509 CO 0.07 0.04 -0.75 -1.20 -1.72 0.00 0.00 179.24 175.69 1mma n SER 510 N -3.23 0.63 -0.11 6.45 7.64 -1.13 -4.52 113.62 119.35 1mma n SER 510 Ca -0.01 -0.32 -0.07 0.00 1.01 0.00 0.00 58.87 59.48 1mma n SER 510 Cb 0.24 0.52 0.01 0.00 -1.01 0.00 0.00 64.21 63.97 1mma n SER 510 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1mma h GLN 511 N 0.00 0.38 -0.59 1.43 5.75 -1.31 -1.76 115.11 119.00 1mma h GLN 511 Ca 0.00 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.51 1mma h GLN 511 Cb 0.59 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.02 1mma h GLN 511 CO 0.00 0.25 0.35 0.00 -2.65 0.00 0.00 178.83 176.78 1mma h ALA 512 N 1.19 0.76 -0.25 3.38 0.00 -1.79 0.63 119.26 123.18 1mma h ALA 512 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1mma h ALA 512 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1mma h ALA 512 CO -0.10 0.07 0.13 1.15 0.00 0.00 0.00 179.25 180.50 1mma h THR 513 N 0.69 1.12 -0.24 0.00 2.02 -1.82 0.33 112.91 115.01 1mma h THR 513 Ca 0.24 -0.34 0.05 0.00 0.77 0.00 0.00 66.41 67.13 1mma h THR 513 Cb 0.05 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 1mma h THR 513 CO -0.11 0.12 -0.08 0.40 0.37 0.00 0.00 175.52 176.22 1mma h ILE 514 N 0.28 0.72 -0.43 3.11 2.04 -0.52 -2.44 117.51 120.27 1mma h ILE 514 Ca 0.09 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.01 1mma h ILE 514 Cb 0.08 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 1mma h ILE 514 CO -0.01 0.00 0.11 0.44 0.00 0.00 0.00 178.15 178.69 1mma h ASP 515 N -0.03 0.07 -0.95 1.72 3.32 0.57 0.21 116.42 121.33 1mma h ASP 515 Ca 0.12 0.06 0.18 0.00 0.02 0.00 0.00 57.03 57.42 1mma h ASP 515 Cb 0.21 0.07 -0.08 0.00 0.22 0.00 0.00 39.33 39.75 1mma h ASP 515 CO -0.26 0.07 0.60 0.25 -1.72 0.00 0.00 179.24 178.19 1mma h LEU 516 N 0.26 0.61 0.00 1.55 5.85 -0.72 2.04 115.31 124.90 1mma h LEU 516 Ca 0.20 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 1mma h LEU 516 Cb 0.23 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1mma h LEU 516 CO -0.24 0.25 -0.16 0.40 -0.34 0.00 0.00 178.44 178.35 1mma h ILE 517 N 0.61 0.88 -0.01 4.05 2.04 -0.79 1.03 117.51 125.32 1mma h ILE 517 Ca 0.51 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.66 1mma h ILE 517 Cb 0.97 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1mma h ILE 517 CO -0.26 0.30 -0.60 -0.90 0.00 0.00 0.00 178.15 176.69 1mma n ASP 518 N -4.66 1.49 -4.31 1.72 5.68 0.62 -1.04 116.55 116.05 1mma n ASP 518 Ca -0.08 -1.25 -0.39 0.00 -0.50 0.00 0.00 54.79 52.58 1mma n ASP 518 Cb 0.30 0.68 0.02 0.00 -1.14 0.00 0.00 41.12 40.98 1mma n ASP 518 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mma n GLY 519 N 1.36 -2.72 0.12 6.12 0.00 0.69 -4.70 105.19 106.07 1mma n GLY 519 Ca 0.06 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 1mma n GLY 519 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mma n ARG 520 N 1.04 0.57 -3.31 1.61 1.74 -1.26 -1.60 116.66 115.44 1mma n ARG 520 Ca 0.09 0.14 -0.07 0.00 -0.77 0.00 0.00 57.85 57.24 1mma n ARG 520 Cb 0.47 -1.45 -0.07 0.00 -1.02 0.00 0.00 32.46 30.40 1mma n ARG 520 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1mma s GLN 521 N -2.46 0.39 0.48 5.56 -1.52 -1.26 -1.66 119.66 119.19 1mma s GLN 521 Ca -0.31 0.58 -0.21 0.00 -1.95 0.00 0.00 55.36 53.47 1mma s GLN 521 Cb 0.08 -0.29 -0.07 0.00 -0.22 0.00 0.00 33.01 32.51 1mma s GLN 521 CO 0.52 -0.67 1.10 -1.25 -0.25 0.00 0.00 175.29 174.74 1mma s PRO 522 N 2.60 3.72 0.30 2.91 0.04 -1.26 -5.09 135.00 138.22 1mma s PRO 522 Ca 0.14 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.47 1mma s PRO 522 Cb -0.15 -2.24 -0.13 0.00 0.04 0.00 0.00 34.50 32.02 1mma s PRO 522 CO -0.18 -0.54 1.30 -0.35 0.04 0.00 0.00 177.00 177.27 1mma n PRO 523 N -0.76 2.00 -1.07 0.56 -0.04 -0.67 -4.69 135.00 130.32 1mma n PRO 523 Ca 0.09 0.70 -0.03 0.00 -0.04 0.00 0.00 63.50 64.22 1mma n PRO 523 Cb 0.50 -2.29 0.01 0.00 -0.04 0.00 0.00 33.50 31.69 1mma n PRO 523 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mma n GLY 524 N 1.33 1.35 0.21 0.55 0.00 -0.63 -4.81 105.19 103.19 1mma n GLY 524 Ca 0.08 -2.05 -0.07 0.00 0.00 0.00 0.00 46.02 43.97 1mma n GLY 524 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1mma h ILE 525 N -0.20 0.53 -0.96 -0.61 2.04 0.14 -1.33 117.51 117.12 1mma h ILE 525 Ca -0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1mma h ILE 525 Cb 0.16 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 1mma h ILE 525 CO 0.05 0.00 0.63 -0.07 0.00 0.00 0.00 178.15 178.76 1mma h LEU 526 N -0.14 1.06 -0.51 1.44 3.38 -1.32 0.13 115.31 119.35 1mma h LEU 526 Ca 0.14 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1mma h LEU 526 Cb 0.35 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1mma h LEU 526 CO -0.35 0.74 0.05 0.00 0.09 0.00 0.00 178.44 178.97 1mma h ALA 527 N 1.43 0.68 -0.56 1.53 0.00 -1.71 0.27 119.26 120.90 1mma h ALA 527 Ca 0.37 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1mma h ALA 527 Cb -0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1mma h ALA 527 CO -0.11 0.44 0.19 -0.07 0.00 0.00 0.00 179.25 179.71 1mma h LEU 528 N 0.74 0.80 -0.49 0.00 3.38 -0.77 0.28 115.31 119.25 1mma h LEU 528 Ca 0.15 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1mma h LEU 528 Cb 0.45 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1mma h LEU 528 CO 0.02 0.78 0.30 0.25 0.09 0.00 0.00 178.44 179.87 1mma h LEU 529 N 0.77 0.59 -0.55 1.67 5.85 -0.60 0.58 115.31 123.62 1mma h LEU 529 Ca 0.18 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1mma h LEU 529 Cb 0.25 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1mma h LEU 529 CO -0.01 0.47 0.22 0.44 -0.34 0.00 0.00 178.44 179.23 1mma h ASP 530 N 0.66 0.76 -0.30 1.25 3.32 0.01 -1.15 116.42 120.97 1mma h ASP 530 Ca 0.18 -0.17 0.05 0.00 0.02 0.00 0.00 57.03 57.11 1mma h ASP 530 Cb -0.01 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.29 1mma h ASP 530 CO -0.03 0.72 -0.00 -0.08 -1.72 0.00 0.00 179.24 178.12 1mma h GLU 531 N 0.75 0.08 -0.57 3.56 4.57 0.38 -1.95 114.58 121.40 1mma h GLU 531 Ca 0.18 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.38 1mma h GLU 531 Cb 0.19 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 1mma h GLU 531 CO -0.02 0.05 0.38 1.96 -1.18 0.00 0.00 179.01 180.20 1mma h GLN 532 N 0.09 0.69 0.00 1.92 1.08 -0.72 -2.90 115.11 115.27 1mma h GLN 532 Ca 0.14 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1mma h GLN 532 Cb 0.19 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1mma h GLN 532 CO -0.24 0.46 0.00 0.77 -0.95 0.00 0.00 178.83 178.87 1mma h SER 533 N 0.71 0.00 0.00 1.46 0.02 -0.39 -2.94 113.55 112.41 1mma h SER 533 Ca 0.22 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.04 1mma h SER 533 Cb -0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1mma h SER 533 CO -0.05 0.00 -0.90 0.58 -1.14 0.00 0.00 176.83 175.31 1mma h VAL 534 N 0.00 0.56 -0.06 2.27 2.07 -1.51 -3.49 116.25 116.09 1mma h VAL 534 Ca 0.00 -1.70 -0.02 0.00 0.82 0.00 0.00 66.70 65.81 1mma h VAL 534 Cb 0.20 1.33 0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1mma h VAL 534 CO 0.00 0.19 -0.04 0.33 0.02 0.00 0.00 177.57 178.07 1mma n PHE 535 N -4.52 -0.11 -0.07 1.57 -0.00 -1.11 -5.00 117.46 108.22 1mma n PHE 535 Ca -0.21 0.01 -0.07 0.00 -0.00 0.00 0.00 57.45 57.18 1mma n PHE 535 Cb 0.50 -0.05 -0.05 0.00 -0.00 0.00 0.00 39.48 39.87 1mma n PHE 535 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1mma h PRO 536 N -0.01 0.00 -1.78 -7.13 0.10 -1.93 -3.38 132.00 117.87 1mma h PRO 536 Ca -0.01 0.00 -0.15 0.00 0.10 0.00 0.00 66.00 65.93 1mma h PRO 536 Cb 0.04 0.00 -0.07 0.00 0.10 0.00 0.00 31.00 31.08 1mma h PRO 536 CO 0.01 0.40 0.19 -1.71 0.10 0.00 0.00 178.00 177.00 1mma n ASN 537 N -4.66 5.87 -4.55 -2.05 5.15 -1.26 -4.97 115.26 108.79 1mma n ASN 537 Ca -0.08 -2.72 -0.34 0.00 -0.60 0.00 0.00 54.58 50.84 1mma n ASN 537 Cb 0.26 -1.10 -0.04 0.00 -0.53 0.00 0.00 39.78 38.37 1mma n ASN 537 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mma s ALA 538 N -0.84 1.98 0.12 5.20 0.00 -1.26 -4.77 121.76 122.19 1mma s ALA 538 Ca 0.15 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 1mma s ALA 538 Cb 0.12 -4.39 -0.03 0.00 0.00 0.00 0.00 23.12 18.82 1mma s ALA 538 CO -0.00 -4.22 0.09 0.95 0.00 0.00 0.00 175.76 172.57 1mma s THR 539 N 9.52 0.12 0.35 0.00 -4.23 -1.26 -4.99 115.64 115.15 1mma s THR 539 Ca 0.69 -1.74 0.08 0.00 -1.18 0.00 0.00 61.69 59.53 1mma s THR 539 Cb -0.11 -1.85 0.31 0.00 1.34 0.00 0.00 72.50 72.19 1mma s THR 539 CO 0.14 -0.55 1.88 0.44 -0.54 0.00 0.00 174.62 175.98 1mma h ASP 540 N 2.86 0.69 -0.32 3.99 3.32 -1.95 0.29 116.42 125.29 1mma h ASP 540 Ca -0.34 0.03 -0.15 0.00 0.02 0.00 0.00 57.03 56.60 1mma h ASP 540 Cb 1.19 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1mma h ASP 540 CO 0.58 0.37 -0.38 -1.13 -1.72 0.00 0.00 179.24 176.97 1mma h ASN 541 N 0.74 0.89 -0.66 6.45 -0.73 -1.94 -0.14 115.58 120.18 1mma h ASN 541 Ca 0.43 -0.49 -0.03 0.00 1.87 0.00 0.00 56.30 58.09 1mma h ASN 541 Cb 0.62 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.93 1mma h ASN 541 CO -0.19 1.19 0.31 0.71 -0.37 0.00 0.00 177.43 179.08 1mma h THR 542 N 0.60 1.23 0.63 -3.57 1.35 -1.47 -1.20 112.91 110.47 1mma h THR 542 Ca 0.04 -0.65 -0.02 0.00 -0.55 0.00 0.00 66.41 65.24 1mma h THR 542 Cb 0.97 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 1mma h THR 542 CO 0.09 0.26 -0.51 0.25 -0.25 0.00 0.00 175.52 175.37 1mma h LEU 543 N 0.91 -1.34 -2.12 3.87 5.85 -0.45 0.16 115.31 122.19 1mma h LEU 543 Ca 0.23 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 1mma h LEU 543 Cb 0.13 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 1mma h LEU 543 CO -0.03 -0.71 -0.02 -0.29 -0.34 0.00 0.00 178.44 177.05 1mma h ILE 544 N -1.10 0.83 -0.08 4.05 6.09 -0.94 -2.05 117.51 124.31 1mma h ILE 544 Ca -0.08 -0.08 -0.02 0.00 -1.37 0.00 0.00 64.86 63.30 1mma h ILE 544 Cb 0.92 1.05 -0.00 0.00 0.47 0.00 0.00 36.82 39.26 1mma h ILE 544 CO 0.01 0.02 -0.05 0.74 -3.07 0.00 0.00 178.15 175.80 1mma h THR 545 N 0.00 1.34 -0.72 2.19 2.02 -0.63 -2.26 112.91 114.85 1mma h THR 545 Ca -0.00 -1.10 0.13 0.00 0.77 0.00 0.00 66.41 66.21 1mma h THR 545 Cb 0.05 1.91 -0.09 0.00 -1.74 0.00 0.00 68.15 68.27 1mma h THR 545 CO 0.00 0.31 0.28 0.50 0.37 0.00 0.00 175.52 176.98 1mma h LYS 546 N -0.22 0.42 0.23 6.66 3.64 -0.01 0.33 116.57 127.61 1mma h LYS 546 Ca 0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1mma h LYS 546 Cb 0.51 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1mma h LYS 546 CO 0.01 0.28 -0.20 -0.07 -2.27 0.00 0.00 179.45 177.20 1mma h LEU 547 N 0.43 -0.52 -0.86 5.20 3.38 -1.35 0.52 115.31 122.11 1mma h LEU 547 Ca 0.39 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.31 1mma h LEU 547 Cb 0.57 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1mma h LEU 547 CO -0.39 -0.30 -0.17 0.45 0.09 0.00 0.00 178.44 178.13 1mma h HIS 548 N -0.45 0.73 -0.82 1.13 3.86 -1.06 0.26 115.15 118.81 1mma h HIS 548 Ca -0.01 -0.14 0.11 0.00 -1.16 0.00 0.00 60.37 59.17 1mma h HIS 548 Cb 0.41 -0.19 -0.08 0.00 1.06 0.00 0.00 27.41 28.61 1mma h HIS 548 CO -0.14 0.79 0.45 1.03 0.86 0.00 0.00 177.93 180.92 1mma h SER 549 N 0.60 0.61 1.14 2.45 0.87 0.44 0.67 113.55 120.31 1mma h SER 549 Ca 0.10 0.06 -0.15 0.00 -1.23 0.00 0.00 61.79 60.57 1mma h SER 549 Cb 0.62 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1mma h SER 549 CO 0.04 0.32 -0.91 0.45 -0.53 0.00 0.00 176.83 176.20 1mma h HIS 550 N 0.72 0.00 0.00 2.24 -0.00 0.46 -3.41 115.15 115.16 1mma h HIS 550 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.79 1mma h HIS 550 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.87 1mma h HIS 550 CO -0.07 0.61 -0.70 1.19 -0.00 0.00 0.00 177.93 178.95 1mma n PHE 551 N -3.12 0.00 -1.73 2.45 3.72 0.88 -4.70 117.46 114.95 1mma n PHE 551 Ca -0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.95 1mma n PHE 551 Cb 0.81 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.32 1mma n PHE 551 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1mma s SER 552 N -1.50 6.48 0.00 4.37 0.15 0.23 -0.67 113.70 122.75 1mma s SER 552 Ca 0.00 2.63 0.00 0.00 0.70 0.00 0.00 55.95 59.28 1mma s SER 552 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1mma s SER 552 CO 0.00 -1.02 0.00 0.29 1.20 0.00 0.00 173.24 173.71 1mma n LYS 553 N 7.04 -0.18 -0.06 5.44 4.76 -1.26 -4.76 118.16 129.13 1mma n LYS 553 Ca 0.19 0.05 -0.07 0.00 -2.87 0.00 0.00 58.31 55.61 1mma n LYS 553 Cb 0.41 -3.62 -0.08 0.00 -1.84 0.00 0.00 35.03 29.89 1mma n LYS 553 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1mma n LYS 554 N -1.81 1.66 -4.27 1.97 5.02 0.15 -4.94 118.16 115.94 1mma n LYS 554 Ca 0.00 0.02 -0.33 0.00 -2.02 0.00 0.00 58.31 55.98 1mma n LYS 554 Cb 0.05 -1.29 -0.16 0.00 -0.02 0.00 0.00 35.03 33.61 1mma n LYS 554 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1mma s ASN 555 N -4.66 3.42 0.61 4.39 3.84 -0.30 -5.02 114.94 117.23 1mma s ASN 555 Ca -0.09 -0.56 0.31 0.00 0.21 0.00 0.00 52.86 52.72 1mma s ASN 555 Cb 0.04 -1.53 1.71 0.00 -0.55 0.00 0.00 41.25 40.92 1mma s ASN 555 CO 0.42 0.03 2.06 0.00 -2.79 0.00 0.00 177.10 176.82 1mma h ALA 556 N 7.72 1.67 -0.39 1.71 0.00 -1.92 -0.95 119.26 127.10 1mma h ALA 556 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1mma h ALA 556 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1mma h ALA 556 CO 0.60 -0.33 0.00 1.63 0.00 0.00 0.00 179.25 181.15 1mma n LYS 557 N -3.51 2.12 -4.38 0.00 4.76 -1.26 -4.91 118.16 110.98 1mma n LYS 557 Ca 0.01 -1.72 -0.28 0.00 -2.87 0.00 0.00 58.31 53.45 1mma n LYS 557 Cb 0.36 -1.42 -0.12 0.00 -1.84 0.00 0.00 35.03 32.01 1mma n LYS 557 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1mma s TYR 558 N -1.49 2.37 -0.06 2.13 6.14 -0.36 -1.48 117.35 124.61 1mma s TYR 558 Ca 0.34 -0.34 -0.01 0.00 0.64 0.00 0.00 57.07 57.70 1mma s TYR 558 Cb 0.19 -1.24 0.03 0.00 0.42 0.00 0.00 41.96 41.35 1mma s TYR 558 CO 0.26 0.40 0.02 -2.00 0.64 0.00 0.00 175.55 174.87 1mma s GLU 559 N -2.29 0.32 -0.08 4.97 2.12 -0.18 -4.72 118.70 118.85 1mma s GLU 559 Ca 0.17 0.20 -0.20 0.00 0.36 0.00 0.00 54.97 55.51 1mma s GLU 559 Cb -0.09 -0.75 -0.04 0.00 0.26 0.00 0.00 34.13 33.50 1mma s GLU 559 CO 0.08 -0.29 0.55 -2.00 -0.54 0.00 0.00 175.26 173.06 1mma s GLU 560 N 1.94 4.33 0.45 4.30 2.12 -1.26 -1.75 118.70 128.84 1mma s GLU 560 Ca 0.03 0.60 -0.24 0.00 0.36 0.00 0.00 54.97 55.73 1mma s GLU 560 Cb -0.12 -3.41 -0.07 0.00 0.26 0.00 0.00 34.13 30.79 1mma s GLU 560 CO -0.04 0.21 1.23 -2.14 -0.54 0.00 0.00 175.26 173.98 1mma s PRO 561 N 0.39 3.74 0.28 4.30 0.02 -1.26 -4.92 135.00 137.56 1mma s PRO 561 Ca 0.29 1.95 -0.03 0.00 0.02 0.00 0.00 61.00 63.23 1mma s PRO 561 Cb -0.16 -2.50 0.39 0.00 0.02 0.00 0.00 34.50 32.25 1mma s PRO 561 CO 0.14 -0.61 1.95 0.00 -0.33 0.00 0.00 177.00 178.14 1mma h ARG 562 N 2.18 1.16 0.00 5.54 -0.00 -1.98 -3.40 114.38 117.88 1mma h ARG 562 Ca -0.50 -0.07 0.00 0.00 -0.50 0.00 0.00 59.98 58.91 1mma h ARG 562 Cb 1.25 -0.26 0.00 0.00 0.00 0.00 0.00 29.97 30.96 1mma h ARG 562 CO 0.61 0.77 -0.72 1.19 0.00 0.00 0.00 179.97 181.81 1mma n PHE 563 N -4.41 0.00 -1.61 3.04 3.72 -1.26 -5.05 117.46 111.89 1mma n PHE 563 Ca 0.11 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.14 1mma n PHE 563 Cb 0.04 0.10 0.07 0.00 -0.94 0.00 0.00 39.48 38.74 1mma n PHE 563 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1mma n SER 564 N -2.66 1.18 -0.58 4.37 2.88 -1.26 -4.87 113.62 112.68 1mma n SER 564 Ca 0.00 0.78 0.05 0.00 -1.33 0.00 0.00 58.87 58.38 1mma n SER 564 Cb 0.36 -1.45 0.13 0.00 -0.75 0.00 0.00 64.21 62.49 1mma n SER 564 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1mma n LYS 565 N -1.53 2.44 0.00 -1.46 4.76 -1.26 -4.56 118.16 116.55 1mma n LYS 565 Ca 0.15 -1.87 0.00 0.00 -2.87 0.00 0.00 58.31 53.72 1mma n LYS 565 Cb 0.48 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.42 1mma n LYS 565 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1mma n THR 566 N 0.50 0.17 -4.45 -0.18 -2.24 -1.26 -4.98 114.28 101.85 1mma n THR 566 Ca 0.10 -0.24 -0.23 0.00 -2.27 0.00 0.00 64.05 61.41 1mma n THR 566 Cb 0.39 1.22 -0.10 0.00 -2.10 0.00 0.00 70.33 69.74 1mma n THR 566 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1mma s GLU 567 N -0.17 1.61 -0.02 -0.78 2.02 -1.26 -1.43 118.70 118.67 1mma s GLU 567 Ca 0.00 -1.72 -0.17 0.00 0.02 0.00 0.00 54.97 53.10 1mma s GLU 567 Cb 0.00 -1.67 0.03 0.00 0.10 0.00 0.00 34.13 32.59 1mma s GLU 567 CO 0.00 0.31 0.36 -0.59 0.02 0.00 0.00 175.26 175.36 1mma s PHE 568 N -2.52 -0.25 -0.05 1.61 -0.12 0.59 -4.41 117.98 112.84 1mma s PHE 568 Ca 0.28 0.39 -0.00 0.00 -0.05 0.00 0.00 56.93 57.54 1mma s PHE 568 Cb -0.05 0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 42.45 1mma s PHE 568 CO 0.13 -0.42 0.00 0.20 -0.05 0.00 0.00 175.22 175.09 1mma s GLY 569 N -1.31 1.87 -0.07 1.99 0.00 -0.71 0.57 107.32 109.65 1mma s GLY 569 Ca -0.13 -0.87 0.04 0.00 0.00 0.00 0.00 44.72 43.76 1mma s GLY 569 CO 0.05 -0.68 -0.21 0.14 0.00 0.00 0.00 173.10 172.40 1mma s VAL 570 N -0.98 1.78 -0.61 1.40 1.01 -0.68 -1.01 120.40 121.32 1mma s VAL 570 Ca 0.16 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 61.03 1mma s VAL 570 Cb -0.11 -1.54 0.06 0.00 0.00 0.00 0.00 36.38 34.78 1mma s VAL 570 CO 0.06 0.50 0.93 -0.89 0.00 0.00 0.00 175.10 175.71 1mma s THR 571 N 0.23 4.38 0.70 3.92 2.01 -0.55 -1.50 115.64 124.84 1mma s THR 571 Ca -0.12 -0.10 -0.03 0.00 0.31 0.00 0.00 61.69 61.74 1mma s THR 571 Cb -0.15 -4.60 0.15 0.00 0.01 0.00 0.00 72.50 67.90 1mma s THR 571 CO 0.06 -1.28 0.96 1.41 -0.69 0.00 0.00 174.62 175.08 1mma n HIS 572 N 7.52 -3.21 -0.17 4.92 8.25 0.41 -4.85 115.22 128.09 1mma n HIS 572 Ca -0.02 -1.46 -0.07 0.00 -0.26 0.00 0.00 57.72 55.91 1mma n HIS 572 Cb 0.46 -0.71 0.02 0.00 1.12 0.00 0.00 29.99 30.88 1mma n HIS 572 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1mma h TYR 573 N -0.83 0.65 -0.22 4.41 3.20 -1.95 -2.52 116.97 119.71 1mma h TYR 573 Ca -0.32 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.56 1mma h TYR 573 Cb 1.09 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.14 1mma h TYR 573 CO 0.00 0.43 0.00 0.00 -1.64 0.00 0.00 178.16 176.95 1mma n ALA 574 N -2.25 2.48 0.00 1.82 0.00 -1.26 -5.02 120.51 116.28 1mma n ALA 574 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1mma n ALA 574 Cb 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1mma n ALA 574 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mma n GLY 575 N 0.93 1.12 3.77 0.00 0.00 -0.95 -4.82 105.19 105.23 1mma n GLY 575 Ca 0.10 -2.29 -0.39 0.00 0.00 0.00 0.00 46.02 43.45 1mma n GLY 575 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mma s GLN 576 N -1.14 4.39 -0.09 1.61 0.74 -1.26 -0.45 119.66 123.47 1mma s GLN 576 Ca 0.00 1.75 0.01 0.00 0.05 0.00 0.00 55.36 57.17 1mma s GLN 576 Cb 0.00 -2.91 0.02 0.00 1.10 0.00 0.00 33.01 31.22 1mma s GLN 576 CO 0.00 -0.00 -0.08 0.08 -0.55 0.00 0.00 175.29 174.74 1mma s VAL 577 N -1.34 0.97 -0.12 1.34 1.01 -0.56 -4.89 120.40 116.81 1mma s VAL 577 Ca 0.51 -0.31 -0.16 0.00 0.00 0.00 0.00 61.98 62.02 1mma s VAL 577 Cb -0.29 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 1mma s VAL 577 CO 0.37 0.34 0.39 -0.04 0.00 0.00 0.00 175.10 176.17 1mma s MET 578 N 1.30 4.25 0.23 2.72 -1.94 -1.26 -1.69 119.30 122.91 1mma s MET 578 Ca -0.03 0.30 0.11 0.00 -1.71 0.00 0.00 55.69 54.36 1mma s MET 578 Cb -0.14 -3.40 -0.05 0.00 2.01 0.00 0.00 34.83 33.25 1mma s MET 578 CO -0.03 0.26 -0.15 0.71 -0.01 0.00 0.00 175.02 175.80 1mma s TYR 579 N 0.34 2.45 -0.04 -0.03 2.02 0.19 -4.14 117.35 118.14 1mma s TYR 579 Ca 0.22 -0.29 0.06 0.00 -0.37 0.00 0.00 57.07 56.69 1mma s TYR 579 Cb -0.14 -1.13 -0.02 0.00 -0.40 0.00 0.00 41.96 40.26 1mma s TYR 579 CO 0.08 0.60 -0.22 -1.83 -1.57 0.00 0.00 175.55 172.61 1mma s GLU 580 N -3.19 2.36 0.00 -0.62 -1.05 -0.44 -0.30 118.70 115.45 1mma s GLU 580 Ca 0.27 -0.85 0.22 0.00 -0.15 0.00 0.00 54.97 54.45 1mma s GLU 580 Cb -0.07 -2.18 0.52 0.00 -0.44 0.00 0.00 34.13 31.96 1mma s GLU 580 CO 0.15 0.52 1.45 0.44 0.95 0.00 0.00 175.26 178.77 1mma n ILE 581 N 2.56 0.59 -1.72 1.83 -6.64 -0.52 -4.51 119.36 110.95 1mma n ILE 581 Ca -0.17 -0.74 -0.42 0.00 -1.77 0.00 0.00 62.75 59.65 1mma n ILE 581 Cb 0.52 0.72 -0.03 0.00 -1.44 0.00 0.00 39.64 39.41 1mma n ILE 581 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1mma n GLN 582 N 1.31 2.71 -0.57 6.28 3.00 -1.26 -2.10 117.38 126.76 1mma n GLN 582 Ca 0.20 0.97 0.00 0.00 -0.01 0.00 0.00 57.00 58.16 1mma n GLN 582 Cb 0.55 -2.80 0.00 0.00 0.00 0.00 0.00 30.24 28.00 1mma n GLN 582 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1mma n ASP 583 N 3.41 0.00 -0.24 1.08 8.00 -1.26 -4.90 116.55 122.64 1mma n ASP 583 Ca 0.14 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.68 1mma n ASP 583 Cb 0.35 -0.45 0.16 0.00 -0.02 0.00 0.00 41.12 41.16 1mma n ASP 583 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 1mma h TRP 584 N 0.00 0.23 -0.27 1.24 4.06 -1.78 0.38 115.95 119.80 1mma h TRP 584 Ca 0.00 0.04 0.06 0.00 2.06 0.00 0.00 58.89 61.05 1mma h TRP 584 Cb 0.00 0.01 -0.06 0.00 -1.00 0.00 0.00 29.16 28.11 1mma h TRP 584 CO 0.00 -0.09 -0.13 -0.07 -3.56 0.00 0.00 178.44 174.59 1mma h LEU 585 N 0.25 -0.43 -0.38 -4.49 3.38 -1.91 0.46 115.31 112.19 1mma h LEU 585 Ca 0.39 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.44 1mma h LEU 585 Cb 0.66 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1mma h LEU 585 CO -0.50 -0.16 0.13 -0.08 0.09 0.00 0.00 178.44 177.92 1mma h GLU 586 N -0.09 0.59 -0.61 1.13 4.81 -1.82 -1.28 114.58 117.32 1mma h GLU 586 Ca 0.14 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1mma h GLU 586 Cb 0.30 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1mma h GLU 586 CO -0.33 0.59 0.40 0.87 -0.73 0.00 0.00 179.01 179.82 1mma h LYS 587 N 0.48 0.80 -0.00 1.92 1.57 -0.44 1.72 116.57 122.61 1mma h LYS 587 Ca 0.13 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.71 1mma h LYS 587 Cb 0.24 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1mma h LYS 587 CO -0.01 0.53 -0.71 -0.97 -0.57 0.00 0.00 179.45 177.72 1mma h ASN 588 N 0.82 0.01 0.41 0.86 -1.24 0.54 -3.23 115.58 113.75 1mma h ASN 588 Ca 0.22 -0.00 -0.14 0.00 0.71 0.00 0.00 56.30 57.09 1mma h ASN 588 Cb -0.09 -0.00 -0.03 0.00 0.73 0.00 0.00 38.32 38.94 1mma h ASN 588 CO -0.05 0.72 -1.71 0.29 -1.29 0.00 0.00 177.43 175.39 1mma n LYS 589 N -3.69 0.64 -3.88 6.67 5.02 -0.54 -1.96 118.16 120.42 1mma n LYS 589 Ca -0.01 0.05 -0.34 0.00 -2.02 0.00 0.00 58.31 56.00 1mma n LYS 589 Cb 0.70 -1.68 0.01 0.00 -0.02 0.00 0.00 35.03 34.04 1mma n LYS 589 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1mma n ASP 590 N -2.66 -3.41 -4.80 4.39 2.03 0.58 -4.85 116.55 107.83 1mma n ASP 590 Ca -0.12 -1.10 -0.32 0.00 0.52 0.00 0.00 54.79 53.78 1mma n ASP 590 Cb 0.79 -2.79 0.04 0.00 -0.72 0.00 0.00 41.12 38.44 1mma n ASP 590 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1mma s PRO 591 N -6.55 2.99 -0.21 -0.67 0.04 -1.25 -5.07 135.00 124.28 1mma s PRO 591 Ca 0.33 1.14 -0.05 0.00 0.04 0.00 0.00 61.00 62.47 1mma s PRO 591 Cb -0.14 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.52 1mma s PRO 591 CO 0.90 -1.07 0.38 -1.17 0.04 0.00 0.00 177.00 176.09 1mma s LEU 592 N -5.07 -0.60 -0.39 -3.56 2.96 -1.26 -4.91 118.68 105.85 1mma s LEU 592 Ca 0.62 0.58 -0.43 0.00 -0.22 0.00 0.00 54.13 54.68 1mma s LEU 592 Cb -0.16 1.16 -0.18 0.00 0.50 0.00 0.00 46.19 47.52 1mma s LEU 592 CO 0.46 -0.27 1.71 0.00 -1.32 0.00 0.00 176.35 176.93 1mma n GLN 593 N 5.37 0.60 -0.30 1.98 1.13 -1.26 -4.75 117.38 120.14 1mma n GLN 593 Ca -0.06 0.22 0.06 0.00 -1.94 0.00 0.00 57.00 55.27 1mma n GLN 593 Cb 0.50 -1.82 0.26 0.00 0.11 0.00 0.00 30.24 29.29 1mma n GLN 593 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 1mma h GLN 594 N 6.41 0.94 -0.77 -1.09 4.15 -1.97 0.51 115.11 123.29 1mma h GLN 594 Ca -0.44 -0.06 0.08 0.00 0.77 0.00 0.00 58.65 59.01 1mma h GLN 594 Cb 1.34 -0.21 -0.05 0.00 0.21 0.00 0.00 27.48 28.77 1mma h GLN 594 CO 0.98 0.63 0.51 -0.44 -1.93 0.00 0.00 178.83 178.57 1mma h ASP 595 N 0.97 0.67 -0.73 -0.69 5.19 -1.90 1.42 116.42 121.35 1mma h ASP 595 Ca 0.41 0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.78 1mma h ASP 595 Cb 0.31 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.66 1mma h ASP 595 CO -0.17 0.41 0.26 -0.07 -3.12 0.00 0.00 179.24 176.55 1mma h LEU 596 N 0.75 1.05 -0.62 1.55 3.38 -0.35 0.67 115.31 121.74 1mma h LEU 596 Ca 0.35 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1mma h LEU 596 Cb 0.37 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1mma h LEU 596 CO -0.13 0.95 0.41 -0.33 0.09 0.00 0.00 178.44 179.44 1mma h GLU 597 N 1.09 0.82 0.08 1.13 4.39 0.15 -2.46 114.58 119.77 1mma h GLU 597 Ca 0.24 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.91 1mma h GLU 597 Cb 0.26 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1mma h GLU 597 CO -0.01 0.54 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.17 1mma h LEU 598 N 0.84 -0.39 0.14 1.33 3.38 0.46 0.17 115.31 121.24 1mma h LEU 598 Ca 0.23 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.26 1mma h LEU 598 Cb -0.10 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1mma h LEU 598 CO -0.05 -0.21 -0.52 0.00 0.09 0.00 0.00 178.44 177.76 1mma h PHE 600 N -0.76 1.20 -0.96 0.00 -1.00 -1.42 -2.57 116.94 111.44 1mma h PHE 600 Ca -0.00 -0.14 0.30 0.00 2.81 0.00 0.00 57.97 60.94 1mma h PHE 600 Cb 0.76 -0.34 -0.16 0.00 3.61 0.00 0.00 35.95 39.82 1mma h PHE 600 CO -0.44 0.97 0.38 0.87 -1.61 0.00 0.00 178.31 178.48 1mma h LYS 601 N 1.09 0.19 -1.77 1.51 1.57 -0.59 0.63 116.57 119.20 1mma h LYS 601 Ca 0.23 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.77 1mma h LYS 601 Cb 0.36 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.54 1mma h LYS 601 CO 0.00 0.12 0.20 -0.25 -0.57 0.00 0.00 179.45 178.96 1mma n ASP 602 N -5.20 6.00 -4.81 0.86 8.00 -0.97 -4.80 116.55 115.63 1mma n ASP 602 Ca 0.28 -2.81 -0.35 0.00 0.71 0.00 0.00 54.79 52.62 1mma n ASP 602 Cb 0.91 -1.13 -0.06 0.00 -0.02 0.00 0.00 41.12 40.81 1mma n ASP 602 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1mma s SER 603 N 0.96 7.06 0.17 -2.24 0.15 0.22 -4.84 113.70 115.18 1mma s SER 603 Ca 0.27 1.55 -0.13 0.00 0.70 0.00 0.00 55.95 58.34 1mma s SER 603 Cb 0.19 -2.47 0.07 0.00 -1.71 0.00 0.00 66.02 62.10 1mma s SER 603 CO -0.03 -0.11 1.81 0.77 1.20 0.00 0.00 173.24 176.88 1mma h SER 604 N 2.87 0.68 -3.46 5.45 4.64 0.15 -3.44 113.55 120.44 1mma h SER 604 Ca -0.48 -0.06 -0.53 0.00 -0.47 0.00 0.00 61.79 60.25 1mma h SER 604 Cb 1.19 -0.17 0.07 0.00 -0.31 0.00 0.00 62.40 63.17 1mma h SER 604 CO 0.64 0.55 0.78 -0.62 -0.87 0.00 0.00 176.83 177.31 1mma s ASP 605 N -5.81 6.58 0.26 4.97 -1.08 -1.26 -4.93 116.67 115.40 1mma s ASP 605 Ca -0.13 2.76 0.13 0.00 -0.52 0.00 0.00 52.55 54.79 1mma s ASP 605 Cb 0.13 -2.63 0.24 0.00 -1.46 0.00 0.00 42.92 39.19 1mma s ASP 605 CO 0.76 -0.74 1.52 -1.13 0.52 0.00 0.00 175.17 176.10 1mma h ASN 606 N 4.69 0.00 0.01 -0.34 -1.24 -1.96 -2.38 115.58 114.36 1mma h ASN 606 Ca -0.47 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.54 1mma h ASN 606 Cb 1.22 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.27 1mma h ASN 606 CO 0.76 0.62 -0.00 0.58 -1.29 0.00 0.00 177.43 178.10 1mma h VAL 607 N 0.00 1.41 -0.89 2.57 2.07 -1.96 -3.27 116.25 116.19 1mma h VAL 607 Ca -0.01 -1.99 0.22 0.00 0.82 0.00 0.00 66.70 65.74 1mma h VAL 607 Cb 1.28 2.64 -0.13 0.00 -1.52 0.00 0.00 31.29 33.56 1mma h VAL 607 CO 0.08 0.47 0.37 0.58 0.02 0.00 0.00 177.57 179.09 1mma h VAL 608 N -0.97 0.46 -0.62 2.57 2.07 -1.92 0.23 116.25 118.07 1mma h VAL 608 Ca -0.00 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.45 1mma h VAL 608 Cb 0.78 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 1mma h VAL 608 CO 0.00 0.07 0.32 0.74 0.02 0.00 0.00 177.57 178.72 1mma h THR 609 N 0.38 0.94 0.31 2.57 2.02 -1.56 -2.68 112.91 114.89 1mma h THR 609 Ca 0.56 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.53 1mma h THR 609 Cb 1.06 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1mma h THR 609 CO -0.54 0.11 -0.43 0.11 0.37 0.00 0.00 175.52 175.14 1mma h LYS 610 N 0.60 -0.74 -0.64 6.66 1.57 -0.59 1.42 116.57 124.85 1mma h LYS 610 Ca 0.28 0.05 0.19 0.00 -1.87 0.00 0.00 60.65 59.30 1mma h LYS 610 Cb 0.20 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1mma h LYS 610 CO -0.19 -0.49 0.93 -0.07 -0.57 0.00 0.00 179.45 179.05 1mma h LEU 611 N -0.77 0.00 0.00 2.94 3.38 -1.40 0.76 115.31 120.23 1mma h LEU 611 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1mma h LEU 611 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1mma h LEU 611 CO -0.12 0.00 -0.94 0.49 0.09 0.00 0.00 178.44 177.97 1mma n PHE 612 N -3.22 0.00 0.00 1.13 3.72 -0.71 -3.67 117.46 114.72 1mma n PHE 612 Ca 0.14 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.64 1mma n PHE 612 Cb 1.14 -0.07 -0.16 0.00 -0.94 0.00 0.00 39.48 39.45 1mma n PHE 612 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1mma n ASN 613 N -1.50 0.38 -4.42 4.37 4.13 0.48 -4.80 115.26 113.90 1mma n ASN 613 Ca -0.00 -0.01 -0.44 0.00 1.68 0.00 0.00 54.58 55.80 1mma n ASN 613 Cb 0.09 1.91 -0.04 0.00 -1.54 0.00 0.00 39.78 40.21 1mma n ASN 613 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1mma s ASP 614 N -4.31 6.32 0.59 6.41 -1.08 0.23 -4.87 116.67 119.95 1mma s ASP 614 Ca -0.07 -1.49 0.36 0.00 -0.52 0.00 0.00 52.55 50.82 1mma s ASP 614 Cb 0.13 -2.36 1.27 0.00 -1.46 0.00 0.00 42.92 40.50 1mma s ASP 614 CO 0.84 -1.19 1.45 1.55 0.52 0.00 0.00 175.17 178.34 1mma h PRO 615 N 9.16 0.00 0.00 4.34 0.13 -1.88 3.64 132.00 147.39 1mma h PRO 615 Ca -0.16 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.91 1mma h PRO 615 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1mma h PRO 615 CO 1.11 0.00 -0.28 -0.91 -0.23 0.00 0.00 178.00 177.69 1mma h ASN 616 N 0.00 0.00 0.00 1.44 -0.26 -1.90 -2.93 115.58 111.93 1mma h ASN 616 Ca 0.64 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 56.19 1mma h ASN 616 Cb 3.12 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 40.35 1mma h ASN 616 CO -0.01 0.28 -1.53 -0.38 -1.06 0.00 0.00 177.43 174.73 1mma n ILE 617 N -3.24 1.33 0.92 2.81 5.41 1.15 -4.61 119.36 123.14 1mma n ILE 617 Ca 0.02 -0.06 0.08 0.00 1.00 0.00 0.00 62.75 63.79 1mma n ILE 617 Cb 0.57 -2.00 0.46 0.00 -0.71 0.00 0.00 39.64 37.97 1mma n ILE 617 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1mma n ALA 618 N -4.13 2.02 -3.14 -1.39 0.00 0.21 -4.83 120.51 109.24 1mma n ALA 618 Ca -0.28 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 52.95 1mma n ALA 618 Cb 0.62 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.69 1mma n ALA 618 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1mma s SER 619 N -2.31 -0.04 0.68 0.00 0.01 -1.11 -4.95 113.70 105.99 1mma s SER 619 Ca 0.20 -0.11 -0.10 0.00 1.31 0.00 0.00 55.95 57.25 1mma s SER 619 Cb 0.11 0.24 0.01 0.00 0.21 0.00 0.00 66.02 66.60 1mma s SER 619 CO 0.23 -0.38 1.06 -0.13 0.41 0.00 0.00 173.24 174.43 1mma s ARG 620 N -1.31 2.88 0.18 12.44 0.52 -1.26 -4.63 118.95 127.77 1mma s ARG 620 Ca -0.14 0.37 -0.32 0.00 -0.52 0.00 0.00 55.73 55.12 1mma s ARG 620 Cb -0.07 -2.07 -0.11 0.00 0.52 0.00 0.00 34.95 33.22 1mma s ARG 620 CO 0.02 -0.96 1.68 0.00 0.02 0.00 0.00 175.30 176.06 1mma s ALA 621 N -3.28 3.87 0.00 2.13 0.00 -1.26 -4.75 121.76 118.47 1mma s ALA 621 Ca 0.57 1.50 0.00 0.00 0.00 0.00 0.00 51.96 54.03 1mma s ALA 621 Cb -0.11 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1mma s ALA 621 CO 0.50 -0.90 0.00 -1.71 0.00 0.00 0.00 175.76 173.65 1mma n ASN 626 N 4.14 0.00 -4.74 0.00 4.05 -1.26 -4.27 115.26 113.17 1mma n ASN 626 Ca 0.15 0.00 -0.41 0.00 0.45 0.00 0.00 54.58 54.77 1mma n ASN 626 Cb 0.37 -0.39 -0.02 0.00 1.23 0.00 0.00 39.78 40.96 1mma n ASN 626 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 1mma s PHE 627 N -0.60 2.92 0.58 1.20 0.40 -1.26 -4.99 117.98 116.22 1mma s PHE 627 Ca 0.00 0.89 -0.05 0.00 -0.60 0.00 0.00 56.93 57.17 1mma s PHE 627 Cb 0.00 -3.92 0.01 0.00 0.51 0.00 0.00 43.02 39.62 1mma s PHE 627 CO 0.00 -3.10 0.87 0.96 0.70 0.00 0.00 175.22 174.65 1mma s ILE 628 N 0.12 3.58 0.67 0.64 -4.36 -1.26 -5.08 121.20 115.51 1mma s ILE 628 Ca 0.62 -0.11 -0.02 0.00 -0.26 0.00 0.00 60.65 60.88 1mma s ILE 628 Cb -0.44 -3.41 0.08 0.00 1.25 0.00 0.00 42.46 39.94 1mma s ILE 628 CO 0.44 -0.40 0.94 0.42 0.24 0.00 0.00 174.94 176.57 1mma s THR 629 N -2.94 2.35 0.18 8.37 -4.23 -1.26 -4.86 115.64 113.25 1mma s THR 629 Ca 0.54 -0.52 -0.14 0.00 -1.18 0.00 0.00 61.69 60.39 1mma s THR 629 Cb -0.10 -2.83 0.07 0.00 1.34 0.00 0.00 72.50 70.98 1mma s THR 629 CO 0.44 0.00 1.84 0.58 -0.54 0.00 0.00 174.62 176.93 1mma h VAL 630 N -0.38 1.12 -0.64 2.29 2.07 -1.68 0.24 116.25 119.26 1mma h VAL 630 Ca -0.40 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1mma h VAL 630 Cb 1.29 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1mma h VAL 630 CO 0.49 0.13 0.28 0.00 0.02 0.00 0.00 177.57 178.49 1mma h ALA 631 N 1.21 1.29 -0.27 1.67 0.00 -1.90 0.59 119.26 121.84 1mma h ALA 631 Ca 0.21 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1mma h ALA 631 Cb -0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1mma h ALA 631 CO -0.06 0.54 -0.13 0.00 0.00 0.00 0.00 179.25 179.61 1mma h ALA 632 N 1.39 0.38 -0.89 0.00 0.00 -1.70 0.19 119.26 118.63 1mma h ALA 632 Ca 0.22 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1mma h ALA 632 Cb 0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1mma h ALA 632 CO -0.02 0.25 0.48 0.37 0.00 0.00 0.00 179.25 180.33 1mma h GLN 633 N 0.30 1.25 -0.14 0.00 4.15 -0.29 -2.69 115.11 117.70 1mma h GLN 633 Ca 0.06 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 1mma h GLN 633 Cb 0.64 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1mma h GLN 633 CO 0.04 0.92 0.01 -0.92 -1.93 0.00 0.00 178.83 176.95 1mma h TYR 634 N 1.25 0.25 -0.89 3.99 5.03 -0.76 -1.93 116.97 123.91 1mma h TYR 634 Ca 0.31 -0.04 0.08 0.00 2.58 0.00 0.00 58.73 61.67 1mma h TYR 634 Cb 0.04 -0.07 -0.07 0.00 1.55 0.00 0.00 36.73 38.18 1mma h TYR 634 CO 0.01 0.43 0.54 -0.22 -1.32 0.00 0.00 178.16 177.60 1mma h LYS 635 N -0.00 0.90 0.30 1.82 3.64 -0.83 -0.89 116.57 121.51 1mma h LYS 635 Ca 0.04 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1mma h LYS 635 Cb 0.32 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1mma h LYS 635 CO 0.00 0.60 -0.14 1.49 -2.27 0.00 0.00 179.45 179.13 1mma h GLU 636 N 0.93 -0.39 0.00 1.90 4.57 -1.48 -0.44 114.58 119.68 1mma h GLU 636 Ca 0.41 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.60 1mma h GLU 636 Cb 0.30 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1mma h GLU 636 CO -0.22 -0.08 -0.07 1.96 -1.18 0.00 0.00 179.01 179.42 1mma h GLN 637 N -0.70 0.00 -0.17 1.92 4.20 -1.31 -0.70 115.11 118.35 1mma h GLN 637 Ca -0.04 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 1mma h GLN 637 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1mma h GLN 637 CO 0.07 0.07 -0.43 1.25 -0.67 0.00 0.00 178.83 179.11 1mma h LEU 638 N 0.00 0.68 -0.46 1.46 5.85 -0.90 -2.22 115.31 119.72 1mma h LEU 638 Ca -0.00 -0.57 -0.10 0.00 0.84 0.00 0.00 57.88 58.04 1mma h LEU 638 Cb 0.16 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1mma h LEU 638 CO 0.01 1.13 -0.11 0.00 -0.34 0.00 0.00 178.44 179.12 1mma h ALA 639 N 0.57 0.63 -0.26 1.25 0.00 -0.12 -0.63 119.26 120.71 1mma h ALA 639 Ca -0.00 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.60 1mma h ALA 639 Cb 1.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1mma h ALA 639 CO 0.09 0.53 0.05 1.03 0.00 0.00 0.00 179.25 180.95 1mma h SER 640 N 0.73 0.00 0.01 0.00 0.87 -1.22 0.32 113.55 114.25 1mma h SER 640 Ca 0.12 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.75 1mma h SER 640 Cb 0.66 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.64 1mma h SER 640 CO 0.05 0.04 -0.22 0.25 -0.53 0.00 0.00 176.83 176.42 1mma h LEU 641 N 0.14 -0.63 -1.12 2.23 5.85 -1.31 0.15 115.31 120.62 1mma h LEU 641 Ca 0.12 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1mma h LEU 641 Cb 0.12 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1mma h LEU 641 CO -0.16 -0.28 0.21 0.24 -0.34 0.00 0.00 178.44 178.11 1mma h MET 642 N -0.35 0.83 -0.64 1.25 2.86 -0.67 -1.46 114.93 116.75 1mma h MET 642 Ca 0.06 -0.13 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1mma h MET 642 Cb 0.42 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.89 1mma h MET 642 CO -0.19 0.69 0.38 0.00 1.06 0.00 0.00 176.91 178.85 1mma h ALA 643 N 1.42 0.85 -0.21 6.32 0.00 0.56 -0.57 119.26 127.63 1mma h ALA 643 Ca 0.19 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1mma h ALA 643 Cb 0.18 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1mma h ALA 643 CO -0.02 0.09 0.05 1.15 0.00 0.00 0.00 179.25 180.52 1mma h THR 644 N 0.72 0.91 -0.77 0.00 2.02 -0.36 -2.83 112.91 112.61 1mma h THR 644 Ca 0.27 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.40 1mma h THR 644 Cb 0.10 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1mma h THR 644 CO -0.14 0.02 0.46 -0.07 0.37 0.00 0.00 175.52 176.16 1mma h LEU 645 N 0.14 0.92 -2.15 2.58 3.38 -0.75 -1.77 115.31 117.65 1mma h LEU 645 Ca 0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1mma h LEU 645 Cb 0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1mma h LEU 645 CO -0.12 0.71 -0.07 -0.33 0.09 0.00 0.00 178.44 178.72 1mma h GLU 646 N 1.06 0.00 -0.14 1.13 4.39 -0.87 0.10 114.58 120.25 1mma h GLU 646 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1mma h GLU 646 Cb -0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1mma h GLU 646 CO -0.05 0.07 0.00 0.25 -1.16 0.00 0.00 179.01 178.12 1mma n THR 647 N -3.77 0.19 -4.61 1.13 -2.24 -0.67 -4.92 114.28 99.40 1mma n THR 647 Ca -0.02 -0.20 -0.27 0.00 -2.27 0.00 0.00 64.05 61.28 1mma n THR 647 Cb 0.17 0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.38 1mma n THR 647 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1mma s THR 648 N -1.81 1.69 -0.46 4.28 -4.23 0.35 -4.33 115.64 111.13 1mma s THR 648 Ca 0.15 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.49 1mma s THR 648 Cb 0.08 -2.82 0.05 0.00 1.34 0.00 0.00 72.50 71.14 1mma s THR 648 CO 0.11 0.00 0.44 0.21 -0.54 0.00 0.00 174.62 174.84 1mma s ASN 649 N -3.69 6.17 0.52 3.99 2.47 -0.38 -4.88 114.94 119.14 1mma s ASN 649 Ca 0.31 -1.00 -0.13 0.00 0.42 0.00 0.00 52.86 52.46 1mma s ASN 649 Cb 0.08 -2.21 -0.06 0.00 -1.45 0.00 0.00 41.25 37.61 1mma s ASN 649 CO 0.15 -0.66 0.94 -2.16 -3.72 0.00 0.00 177.10 171.66 1mma s PRO 650 N 2.00 3.79 0.04 0.43 0.04 -1.26 -1.40 135.00 138.63 1mma s PRO 650 Ca 0.09 0.75 0.05 0.00 0.04 0.00 0.00 61.00 61.93 1mma s PRO 650 Cb -0.20 -2.19 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 1mma s PRO 650 CO 0.10 -0.30 -0.14 -1.01 0.04 0.00 0.00 177.00 175.69 1mma s HIS 651 N -2.74 1.22 -0.21 0.56 3.76 0.32 -4.88 115.29 113.32 1mma s HIS 651 Ca 0.55 -0.35 -0.01 0.00 -0.15 0.00 0.00 55.06 55.10 1mma s HIS 651 Cb -0.10 -0.73 0.01 0.00 1.11 0.00 0.00 32.58 32.87 1mma s HIS 651 CO 0.39 0.03 -0.11 -0.06 -0.85 0.00 0.00 174.74 174.14 1mma s PHE 652 N -0.85 2.92 -0.26 1.40 0.40 -1.26 -1.00 117.98 119.32 1mma s PHE 652 Ca 0.01 -1.37 -0.03 0.00 -0.60 0.00 0.00 56.93 54.94 1mma s PHE 652 Cb -0.08 -2.02 0.02 0.00 0.51 0.00 0.00 43.02 41.45 1mma s PHE 652 CO 0.01 -0.69 -0.01 0.08 0.70 0.00 0.00 175.22 175.30 1mma s VAL 653 N 1.37 3.25 -0.61 -0.44 1.01 0.01 -0.83 120.40 124.16 1mma s VAL 653 Ca 0.04 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 1mma s VAL 653 Cb -0.14 -2.66 0.15 0.00 0.00 0.00 0.00 36.38 33.74 1mma s VAL 653 CO -0.07 0.17 0.55 -0.13 0.00 0.00 0.00 175.10 175.62 1mma s ARG 654 N 1.39 3.08 -0.14 2.72 1.81 -0.68 -1.84 118.95 125.28 1mma s ARG 654 Ca 0.01 -1.96 -0.29 0.00 -1.72 0.00 0.00 55.73 51.77 1mma s ARG 654 Cb -0.17 -4.27 -0.01 0.00 -0.45 0.00 0.00 34.95 30.05 1mma s ARG 654 CO -0.02 -1.30 1.09 0.00 -0.68 0.00 0.00 175.30 174.39 1mma s ILE 656 N 2.58 4.02 0.01 0.00 1.01 0.88 -4.18 121.20 125.51 1mma s ILE 656 Ca 0.49 -0.30 -0.28 0.00 0.00 0.00 0.00 60.65 60.56 1mma s ILE 656 Cb -0.19 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 1mma s ILE 656 CO 0.15 0.45 0.90 -0.51 0.00 0.00 0.00 174.94 175.94 1mma s ILE 657 N 0.70 4.82 -0.48 2.92 2.07 -1.26 -1.02 121.20 128.95 1mma s ILE 657 Ca -0.00 1.91 0.24 0.00 -1.41 0.00 0.00 60.65 61.38 1mma s ILE 657 Cb -0.14 -4.25 0.33 0.00 0.13 0.00 0.00 42.46 38.53 1mma s ILE 657 CO 0.02 0.23 1.64 1.55 -1.91 0.00 0.00 174.94 176.47 1mma h PRO 658 N 6.44 0.00 0.00 3.50 0.13 -1.86 -3.42 132.00 136.79 1mma h PRO 658 Ca -0.42 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.91 1mma h PRO 658 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1mma h PRO 658 CO 0.74 0.00 0.65 0.27 -0.23 0.00 0.00 178.00 179.43 1mma n ASN 659 N -2.96 -1.60 -1.39 1.44 0.23 -1.25 -1.02 115.26 108.69 1mma n ASN 659 Ca 0.04 -1.76 0.09 0.00 -0.53 0.00 0.00 54.58 52.42 1mma n ASN 659 Cb 0.51 2.58 0.32 0.00 -2.08 0.00 0.00 39.78 41.12 1mma n ASN 659 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1mma n ASN 660 N -1.24 4.53 -0.50 0.53 3.02 -1.26 -4.44 115.26 115.90 1mma n ASN 660 Ca -0.01 -2.56 0.08 0.00 -0.03 0.00 0.00 54.58 52.07 1mma n ASN 660 Cb 0.57 -0.55 0.03 0.00 -0.61 0.00 0.00 39.78 39.23 1mma n ASN 660 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1mma n LYS 661 N 0.71 1.53 -2.45 3.52 5.02 -1.26 -4.96 118.16 120.27 1mma n LYS 661 Ca 0.24 -1.11 -0.15 0.00 -2.02 0.00 0.00 58.31 55.27 1mma n LYS 661 Cb 0.88 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.60 1mma n LYS 661 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1mma n GLN 662 N 0.35 -1.93 -4.84 1.97 6.02 -1.26 -5.01 117.38 112.68 1mma n GLN 662 Ca 0.08 0.66 -0.32 0.00 -0.01 0.00 0.00 57.00 57.41 1mma n GLN 662 Cb 0.37 -4.94 -0.13 0.00 1.02 0.00 0.00 30.24 26.56 1mma n GLN 662 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1mma s LEU 663 N -4.30 2.69 0.64 1.08 1.43 -1.26 -5.01 118.68 113.96 1mma s LEU 663 Ca 0.07 -0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 1mma s LEU 663 Cb -0.03 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 1mma s LEU 663 CO 0.09 0.32 1.04 -2.16 0.23 0.00 0.00 176.35 175.87 1mma s PRO 664 N -0.92 3.45 0.00 1.29 0.04 -1.25 -3.64 135.00 133.96 1mma s PRO 664 Ca 0.12 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1mma s PRO 664 Cb -0.11 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1mma s PRO 664 CO 0.02 -0.69 0.00 0.00 0.04 0.00 0.00 177.00 176.37 1mma n ALA 665 N -2.83 0.00 -3.84 8.56 0.00 -1.26 -4.93 120.51 116.21 1mma n ALA 665 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 1mma n ALA 665 Cb 0.54 -0.79 -0.14 0.00 0.00 0.00 0.00 19.45 19.06 1mma n ALA 665 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1mma s LYS 666 N -1.03 1.60 -0.53 0.00 -0.14 -1.24 -5.04 119.74 113.36 1mma s LYS 666 Ca 0.00 -2.25 -0.11 0.00 -1.36 0.00 0.00 55.97 52.24 1mma s LYS 666 Cb 0.00 -2.82 0.13 0.00 -1.68 0.00 0.00 37.83 33.46 1mma s LYS 666 CO 0.00 -1.12 0.43 -1.17 -0.76 0.00 0.00 175.35 172.73 1mma s LEU 667 N 0.13 5.92 -0.11 3.17 2.96 -1.26 -3.97 118.68 125.51 1mma s LEU 667 Ca 0.17 -1.97 -0.23 0.00 -0.22 0.00 0.00 54.13 51.87 1mma s LEU 667 Cb -0.25 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 1mma s LEU 667 CO -0.01 -0.73 0.72 -1.61 -1.32 0.00 0.00 176.35 173.41 1mma s GLU 668 N 1.29 4.37 0.06 1.98 0.41 -0.19 -4.97 118.70 121.64 1mma s GLU 668 Ca 0.06 0.87 -0.12 0.00 -0.41 0.00 0.00 54.97 55.38 1mma s GLU 668 Cb -0.26 -3.50 -0.03 0.00 -1.78 0.00 0.00 34.13 28.56 1mma s GLU 668 CO -0.00 -0.08 1.19 -0.25 -0.49 0.00 0.00 175.26 175.63 1mma n ASP 669 N 4.35 -0.40 -0.15 -0.19 9.92 -1.26 -1.21 116.55 127.60 1mma n ASP 669 Ca 0.00 1.28 -0.03 0.00 -0.53 0.00 0.00 54.79 55.51 1mma n ASP 669 Cb 0.50 -0.39 0.03 0.00 -0.64 0.00 0.00 41.12 40.63 1mma n ASP 669 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1mma h LYS 670 N 0.00 0.01 -0.95 -1.24 6.56 -1.94 0.21 116.57 119.22 1mma h LYS 670 Ca 0.06 -0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.66 1mma h LYS 670 Cb 0.16 -0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.77 1mma h LYS 670 CO -0.36 0.01 0.63 0.28 -2.06 0.00 0.00 179.45 177.95 1mma h VAL 671 N 0.01 1.24 0.21 0.50 2.07 -1.63 -2.58 116.25 116.08 1mma h VAL 671 Ca 0.23 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1mma h VAL 671 Cb 0.36 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1mma h VAL 671 CO -0.49 0.24 -0.10 0.58 0.02 0.00 0.00 177.57 177.81 1mma h VAL 672 N 1.29 0.83 -0.35 2.57 2.07 -0.14 -3.23 116.25 119.29 1mma h VAL 672 Ca 0.35 -0.85 0.07 0.00 0.82 0.00 0.00 66.70 67.08 1mma h VAL 672 Cb -0.14 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1mma h VAL 672 CO -0.08 0.17 0.24 -0.07 0.02 0.00 0.00 177.57 177.86 1mma h LEU 673 N -0.76 0.16 -0.10 2.57 3.38 -0.59 -1.32 115.31 118.64 1mma h LEU 673 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1mma h LEU 673 Cb 0.50 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1mma h LEU 673 CO 0.05 0.10 0.07 0.44 0.09 0.00 0.00 178.44 179.19 1mma h ASP 674 N 0.18 0.12 -0.71 -0.43 3.32 -1.53 -2.09 116.42 115.28 1mma h ASP 674 Ca 0.16 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1mma h ASP 674 Cb 0.40 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1mma h ASP 674 CO -0.03 0.09 0.38 1.56 -1.72 0.00 0.00 179.24 179.53 1mma h GLN 675 N 0.14 1.00 0.00 3.56 4.20 -1.28 -2.38 115.11 120.34 1mma h GLN 675 Ca 0.04 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1mma h GLN 675 Cb -0.01 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.58 1mma h GLN 675 CO -0.01 0.75 0.00 1.28 -0.67 0.00 0.00 178.83 180.18 1mma n LEU 676 N -4.48 0.22 -0.03 1.46 4.77 -0.83 -1.89 117.00 116.22 1mma n LEU 676 Ca 0.06 0.56 -0.13 0.00 -0.03 0.00 0.00 56.01 56.46 1mma n LEU 676 Cb 0.10 -0.53 -0.14 0.00 -2.33 0.00 0.00 43.42 40.51 1mma n LEU 676 CO 0.38 -0.38 -0.77 0.54 -1.33 0.00 0.00 177.39 175.83 1mma n ARG 677 N -1.75 0.68 0.01 3.23 1.74 -0.84 -1.33 116.66 118.41 1mma n ARG 677 Ca 0.03 0.23 -0.18 0.00 -0.77 0.00 0.00 57.85 57.16 1mma n ARG 677 Cb 0.17 -1.71 -0.13 0.00 -1.02 0.00 0.00 32.46 29.78 1mma n ARG 677 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mma h ASN 679 N -0.39 0.00 0.00 0.00 -1.07 -1.61 -3.41 115.58 109.11 1mma h ASN 679 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.28 1mma h ASN 679 Cb 1.38 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.63 1mma h ASN 679 CO 0.11 0.15 0.00 0.61 0.07 0.00 0.00 177.43 178.37 1mma n GLY 680 N 0.01 0.86 0.13 9.14 0.00 -1.25 -4.96 105.19 109.12 1mma n GLY 680 Ca 0.00 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 1mma n GLY 680 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1mma h VAL 681 N 0.00 1.45 -0.10 1.61 2.07 -1.87 -2.30 116.25 117.11 1mma h VAL 681 Ca 0.00 -2.23 -0.01 0.00 0.82 0.00 0.00 66.70 65.28 1mma h VAL 681 Cb 0.12 2.79 -0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1mma h VAL 681 CO 0.00 0.64 0.03 -0.07 0.02 0.00 0.00 177.57 178.19 1mma h LEU 682 N -0.19 0.16 0.18 2.57 3.38 -1.54 0.86 115.31 120.72 1mma h LEU 682 Ca -0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1mma h LEU 682 Cb 1.42 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1mma h LEU 682 CO 0.13 0.33 -0.10 -0.08 0.09 0.00 0.00 178.44 178.81 1mma h GLU 683 N -0.03 -0.25 -1.88 1.13 4.81 -1.78 -1.80 114.58 114.79 1mma h GLU 683 Ca 0.03 0.02 0.55 0.00 -0.13 0.00 0.00 59.36 59.83 1mma h GLU 683 Cb 0.23 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.59 1mma h GLU 683 CO -0.00 -0.16 1.35 0.41 -0.73 0.00 0.00 179.01 179.87 1mma n GLY 684 N -1.13 -0.94 0.13 1.92 0.00 -0.86 -0.22 105.19 104.09 1mma n GLY 684 Ca -0.03 0.66 -0.08 0.00 0.00 0.00 0.00 46.02 46.57 1mma n GLY 684 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1mma h ILE 685 N 0.00 0.52 -1.05 -0.61 2.04 -0.40 -2.98 117.51 115.03 1mma h ILE 685 Ca 0.90 -1.09 0.27 0.00 1.00 0.00 0.00 64.86 65.94 1mma h ILE 685 Cb 3.59 0.92 -0.10 0.00 -0.74 0.00 0.00 36.82 40.49 1mma h ILE 685 CO -0.02 0.15 0.66 0.03 0.00 0.00 0.00 178.15 178.97 1mma h ARG 686 N -0.98 0.40 -0.55 2.37 -0.00 0.26 3.51 114.38 119.39 1mma h ARG 686 Ca -0.02 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.98 59.33 1mma h ARG 686 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 29.97 30.28 1mma h ARG 686 CO 0.04 0.26 -0.06 0.97 0.00 0.00 0.00 179.97 181.18 1mma h ILE 687 N 0.41 1.26 0.00 2.04 -0.00 -1.61 0.43 117.51 120.03 1mma h ILE 687 Ca 0.62 -1.20 0.00 0.00 -0.00 0.00 0.00 64.86 64.28 1mma h ILE 687 Cb 1.53 0.91 0.00 0.00 -0.00 0.00 0.00 36.82 39.25 1mma h ILE 687 CO -0.34 0.43 0.00 0.41 -0.00 0.00 0.00 178.15 178.64 1mma n THR 688 N -4.16 0.00 -0.02 2.19 -1.04 1.16 0.29 114.28 112.70 1mma n THR 688 Ca 0.02 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.01 1mma n THR 688 Cb 0.37 -0.87 -0.01 0.00 -1.82 0.00 0.00 70.33 68.01 1mma n THR 688 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1mma n ARG 689 N -0.67 0.15 0.00 -2.82 3.00 0.14 -4.33 116.66 112.13 1mma n ARG 689 Ca 0.00 0.31 0.00 0.00 -0.01 0.00 0.00 57.85 58.15 1mma n ARG 689 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 32.46 31.42 1mma n ARG 689 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1mma n LYS 690 N -3.06 0.00 -0.46 5.56 5.02 0.17 -3.77 118.16 121.62 1mma n LYS 690 Ca -0.03 0.36 -0.15 0.00 -2.02 0.00 0.00 58.31 56.48 1mma n LYS 690 Cb 0.10 -1.35 -0.04 0.00 -0.02 0.00 0.00 35.03 33.72 1mma n LYS 690 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mma n GLY 691 N -0.85 0.65 3.41 0.72 0.00 0.85 -4.76 105.19 105.21 1mma n GLY 691 Ca 0.00 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.27 1mma n GLY 691 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mma s PHE 692 N 4.54 3.87 -0.14 1.61 0.08 -1.25 -4.11 117.98 122.58 1mma s PHE 692 Ca 0.23 -2.40 -0.12 0.00 0.12 0.00 0.00 56.93 54.76 1mma s PHE 692 Cb 0.05 -4.09 -0.04 0.00 -0.57 0.00 0.00 43.02 38.37 1mma s PHE 692 CO 0.12 -1.19 -0.23 -0.35 -0.10 0.00 0.00 175.22 173.47 1mma n PRO 693 N 4.27 0.42 0.00 0.24 -0.04 -1.26 -4.35 135.00 134.28 1mma n PRO 693 Ca 0.31 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 1mma n PRO 693 Cb 0.41 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1mma n PRO 693 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1mma n ASN 694 N -4.20 0.00 -2.88 3.54 2.85 -1.26 -2.23 115.26 111.09 1mma n ASN 694 Ca -0.09 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.07 1mma n ASN 694 Cb 0.34 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.36 1mma n ASN 694 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1mma n ARG 695 N 0.80 3.56 -3.61 1.20 5.12 -1.26 -4.50 116.66 117.97 1mma n ARG 695 Ca 0.00 -4.52 -0.29 0.00 -1.93 0.00 0.00 57.85 51.10 1mma n ARG 695 Cb 0.00 -2.28 -0.13 0.00 -1.16 0.00 0.00 32.46 28.88 1mma n ARG 695 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1mma s ILE 696 N -4.92 0.65 -0.94 0.55 1.09 -0.95 0.60 121.20 117.29 1mma s ILE 696 Ca 0.48 -1.74 0.00 0.00 -1.10 0.00 0.00 60.65 58.28 1mma s ILE 696 Cb 0.33 -1.48 0.33 0.00 -1.06 0.00 0.00 42.46 40.58 1mma s ILE 696 CO -0.20 -0.85 1.68 -0.38 -0.10 0.00 0.00 174.94 175.09 1mma n ILE 697 N 4.26 5.44 -0.39 2.92 5.41 -1.26 -4.85 119.36 130.89 1mma n ILE 697 Ca 0.05 -5.83 0.29 0.00 1.00 0.00 0.00 62.75 58.26 1mma n ILE 697 Cb 0.38 -1.51 0.45 0.00 -0.71 0.00 0.00 39.64 38.25 1mma n ILE 697 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1mma n TYR 698 N -0.12 0.02 -3.99 1.39 4.02 -1.26 -3.12 117.16 114.10 1mma n TYR 698 Ca 0.44 0.02 -0.31 0.00 -0.01 0.00 0.00 57.90 58.05 1mma n TYR 698 Cb 0.29 -0.30 -0.16 0.00 -0.02 0.00 0.00 39.34 39.15 1mma n TYR 698 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1mma s ALA 699 N -4.04 2.05 -0.03 -0.72 0.00 -1.26 -4.75 121.76 113.01 1mma s ALA 699 Ca -0.03 -1.32 -0.14 0.00 0.00 0.00 0.00 51.96 50.47 1mma s ALA 699 Cb 0.15 -1.37 0.02 0.00 0.00 0.00 0.00 23.12 21.93 1mma s ALA 699 CO 0.49 -0.98 0.32 -0.51 0.00 0.00 0.00 175.76 175.07 1mma s ASP 700 N 1.36 -0.22 0.00 0.00 1.01 -1.18 -5.17 116.67 112.47 1mma s ASP 700 Ca -0.04 0.18 0.00 0.00 0.71 0.00 0.00 52.55 53.40 1mma s ASP 700 Cb -0.18 0.37 0.00 0.00 1.01 0.00 0.00 42.92 44.13 1mma s ASP 700 CO -0.07 -0.40 0.00 2.22 0.21 0.00 0.00 175.17 177.13 1mma n PHE 701 N 1.53 0.00 -0.06 4.23 -1.74 -1.26 -4.96 117.46 115.19 1mma n PHE 701 Ca -0.20 0.00 -0.04 0.00 -0.56 0.00 0.00 57.45 56.65 1mma n PHE 701 Cb 0.56 -0.02 -0.04 0.00 1.52 0.00 0.00 39.48 41.51 1mma n PHE 701 CO 0.00 0.00 0.00 0.37 -0.56 0.00 0.00 176.76 176.57 1mma h GLN 720 N 1.01 0.00 0.10 3.97 -0.00 -1.91 -3.49 115.11 114.80 1mma h GLN 720 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.38 1mma h GLN 720 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.48 1mma h GLN 720 CO 0.00 0.28 -1.24 -0.22 0.00 0.00 0.00 178.83 177.65 1mma h LYS 721 N -1.00 0.22 -0.02 1.69 3.64 -2.01 -3.20 116.57 115.90 1mma h LYS 721 Ca -0.01 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1mma h LYS 721 Cb 0.30 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1mma h LYS 721 CO -0.00 1.16 -0.08 0.00 -2.27 0.00 0.00 179.45 178.26 1mma n ALA 722 N -2.52 2.70 1.66 5.00 0.00 -1.26 -3.63 120.51 122.46 1mma n ALA 722 Ca -0.08 -0.54 0.01 0.00 0.00 0.00 0.00 53.44 52.83 1mma n ALA 722 Cb 1.01 -1.01 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1mma n ALA 722 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1mma n THR 723 N 0.43 0.00 0.00 0.00 5.66 -1.21 0.14 114.28 119.30 1mma n THR 723 Ca 0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 1mma n THR 723 Cb 0.44 -0.11 0.00 0.00 -1.55 0.00 0.00 70.33 69.11 1mma n THR 723 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1mma n ASP 724 N -0.53 3.03 -0.00 1.09 -0.08 -1.24 -4.30 116.55 114.52 1mma n ASP 724 Ca 0.01 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.17 1mma n ASP 724 Cb 0.00 0.52 -0.07 0.00 2.34 0.00 0.00 41.12 43.91 1mma n ASP 724 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mma h ALA 725 N 0.00 0.06 -0.18 -1.67 0.00 -0.48 2.12 119.26 119.11 1mma h ALA 725 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1mma h ALA 725 Cb 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1mma h ALA 725 CO 0.00 -0.33 0.10 -0.24 0.00 0.00 0.00 179.25 178.78 1mma h VAL 726 N -0.11 1.09 -0.25 0.00 3.04 0.10 2.41 116.25 122.53 1mma h VAL 726 Ca 0.02 -0.25 -0.04 0.00 -1.01 0.00 0.00 66.70 65.42 1mma h VAL 726 Cb 0.20 0.94 -0.01 0.00 -2.01 0.00 0.00 31.29 30.41 1mma h VAL 726 CO -0.00 0.09 -0.01 -0.07 -1.01 0.00 0.00 177.57 176.56 1mma h LEU 727 N 0.19 0.35 0.00 3.16 4.07 -1.66 0.17 115.31 121.59 1mma h LEU 727 Ca 0.06 -0.06 -0.07 0.00 0.08 0.00 0.00 57.88 57.90 1mma h LEU 727 Cb 0.06 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 1mma h LEU 727 CO -0.01 0.43 -0.40 0.07 -1.08 0.00 0.00 178.44 177.45 1mma h LYS 728 N 0.37 0.00 0.22 1.13 2.10 0.45 0.22 116.57 121.06 1mma h LYS 728 Ca 0.08 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.72 1mma h LYS 728 Cb 0.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 1mma h LYS 728 CO 0.01 0.30 -0.10 1.25 -2.00 0.00 0.00 179.45 178.90 1mma h HIS 729 N 0.00 -0.27 0.00 0.07 2.76 0.60 -3.17 115.15 115.15 1mma h HIS 729 Ca -0.01 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1mma h HIS 729 Cb 1.25 0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.30 1mma h HIS 729 CO 0.00 -0.11 0.00 -0.11 -1.30 0.00 0.00 177.93 176.41 1mma n LEU 730 N -4.97 0.00 -3.90 0.26 0.00 0.38 -4.90 117.00 103.88 1mma n LEU 730 Ca -0.04 0.42 -0.38 0.00 0.00 0.00 0.00 56.01 56.00 1mma n LEU 730 Cb 0.14 -0.42 0.02 0.00 0.00 0.00 0.00 43.42 43.17 1mma n LEU 730 CO 0.11 -0.21 -0.14 0.59 0.00 0.00 0.00 177.39 177.75 1mma n ASN 731 N -1.42 -4.70 -3.91 1.96 4.13 0.72 -4.99 115.26 107.05 1mma n ASN 731 Ca 0.05 -1.14 -0.30 0.00 1.68 0.00 0.00 54.58 54.87 1mma n ASN 731 Cb 0.15 -2.24 0.22 0.00 -1.54 0.00 0.00 39.78 36.37 1mma n ASN 731 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1mma s ILE 732 N -3.41 1.81 -0.15 2.41 1.09 -0.83 -5.02 121.20 117.11 1mma s ILE 732 Ca 0.40 0.00 -0.08 0.00 -1.10 0.00 0.00 60.65 59.87 1mma s ILE 732 Cb -0.20 -2.78 -0.04 0.00 -1.06 0.00 0.00 42.46 38.38 1mma s ILE 732 CO 0.92 0.00 0.13 -0.62 -0.10 0.00 0.00 174.94 175.28 1mma s ASP 733 N -4.50 6.31 0.20 3.58 2.15 -1.26 -4.99 116.67 118.16 1mma s ASP 733 Ca 0.74 0.38 -0.32 0.00 0.43 0.00 0.00 52.55 53.78 1mma s ASP 733 Cb -0.06 -2.07 -0.12 0.00 -0.30 0.00 0.00 42.92 40.38 1mma s ASP 733 CO 0.54 0.33 1.73 -2.84 -0.17 0.00 0.00 175.17 174.77 1mma s PRO 734 N -0.56 4.13 0.00 4.34 0.02 -1.26 -2.62 135.00 139.05 1mma s PRO 734 Ca 0.13 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.74 1mma s PRO 734 Cb -0.12 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1mma s PRO 734 CO 0.02 -0.76 0.00 0.39 -0.33 0.00 0.00 177.00 176.32 1mma n GLU 735 N 4.21 0.00 0.00 5.54 -0.58 -1.26 -4.86 120.64 123.69 1mma n GLU 735 Ca 0.16 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1mma n GLU 735 Cb 0.36 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 1mma n GLU 735 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1mma n GLN 736 N -1.13 2.06 -3.62 3.49 1.13 -1.08 -5.07 117.38 113.16 1mma n GLN 736 Ca 0.00 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.78 1mma n GLN 736 Cb 0.21 -0.81 -0.03 0.00 0.11 0.00 0.00 30.24 29.72 1mma n GLN 736 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1mma s PHE 737 N -1.61 3.48 -0.16 1.08 -0.12 -1.25 -2.33 117.98 117.07 1mma s PHE 737 Ca 0.00 0.42 -0.08 0.00 -0.05 0.00 0.00 56.93 57.23 1mma s PHE 737 Cb 0.00 -1.92 0.07 0.00 -0.63 0.00 0.00 43.02 40.54 1mma s PHE 737 CO 0.00 0.34 0.37 0.50 -0.05 0.00 0.00 175.22 176.38 1mma s ARG 738 N -3.32 0.32 -0.57 1.99 3.52 -1.23 -4.95 118.95 114.72 1mma s ARG 738 Ca 0.40 0.81 -0.18 0.00 -0.13 0.00 0.00 55.73 56.63 1mma s ARG 738 Cb -0.11 0.05 0.11 0.00 -1.56 0.00 0.00 34.95 33.44 1mma s ARG 738 CO 0.29 -0.20 0.62 -0.06 -0.81 0.00 0.00 175.30 175.14 1mma s PHE 739 N 1.80 3.10 0.00 5.12 0.08 -1.26 -3.17 117.98 123.65 1mma s PHE 739 Ca -0.06 -1.08 0.00 0.00 0.12 0.00 0.00 56.93 55.91 1mma s PHE 739 Cb -0.10 -3.91 0.00 0.00 -0.57 0.00 0.00 43.02 38.44 1mma s PHE 739 CO -0.12 -1.18 0.05 0.41 -0.10 0.00 0.00 175.22 174.28 1mma n GLY 740 N 5.27 0.36 2.68 4.36 0.00 -1.26 -5.00 105.19 111.61 1mma n GLY 740 Ca -0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 1mma n GLY 740 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1mma n ILE 741 N -0.14 0.00 0.00 -0.61 5.41 -1.26 -4.90 119.36 117.85 1mma n ILE 741 Ca 0.00 -0.86 0.00 0.00 1.00 0.00 0.00 62.75 62.89 1mma n ILE 741 Cb 0.00 1.18 0.00 0.00 -0.71 0.00 0.00 39.64 40.11 1mma n ILE 741 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1mma n THR 742 N 1.19 0.00 -0.06 1.39 -1.04 -1.26 -4.88 114.28 109.62 1mma n THR 742 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1mma n THR 742 Cb 0.71 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.22 1mma n THR 742 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1mma n LYS 743 N 0.00 0.61 -3.86 -2.82 5.02 -1.26 -4.65 118.16 111.20 1mma n LYS 743 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 1mma n LYS 743 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 1mma n LYS 743 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1mma s ILE 744 N -0.17 0.00 -0.38 -0.18 1.10 -1.26 -4.19 121.20 116.12 1mma s ILE 744 Ca 0.00 -0.71 0.05 0.00 -0.51 0.00 0.00 60.65 59.49 1mma s ILE 744 Cb 0.00 -2.85 0.30 0.00 0.15 0.00 0.00 42.46 40.05 1mma s ILE 744 CO 0.00 0.00 1.25 0.49 -2.11 0.00 0.00 174.94 174.57 1mma n PHE 745 N -0.65 -1.54 -0.44 3.50 3.01 0.20 -4.05 117.46 117.49 1mma n PHE 745 Ca -0.05 -1.38 -0.14 0.00 1.01 0.00 0.00 57.45 56.90 1mma n PHE 745 Cb 0.60 1.40 0.13 0.00 -0.01 0.00 0.00 39.48 41.59 1mma n PHE 745 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1mma n PHE 746 N 0.16 -3.14 -3.42 1.38 7.35 0.71 -3.48 117.46 117.01 1mma n PHE 746 Ca -0.04 -0.42 -0.39 0.00 -0.76 0.00 0.00 57.45 55.83 1mma n PHE 746 Cb 0.73 -0.55 -0.09 0.00 0.35 0.00 0.00 39.48 39.92 1mma n PHE 746 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1mma s ARG 747 N -4.06 4.02 0.00 -4.13 6.06 -0.98 -4.82 118.95 115.03 1mma s ARG 747 Ca 0.32 -0.01 -0.02 0.00 -2.50 0.00 0.00 55.73 53.52 1mma s ARG 747 Cb -0.04 -3.65 -0.11 0.00 0.06 0.00 0.00 34.95 31.21 1mma s ARG 747 CO 0.26 -0.24 2.12 0.00 -2.50 0.00 0.00 175.30 174.93 1mma n ALA 748 N 5.23 4.09 -1.69 6.12 0.00 -1.26 -3.65 120.51 129.34 1mma n ALA 748 Ca -0.09 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.62 1mma n ALA 748 Cb 0.51 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1mma n ALA 748 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mma n GLY 749 N 2.22 1.04 0.43 0.00 0.00 -1.26 -4.69 105.19 102.93 1mma n GLY 749 Ca 0.17 -0.10 0.23 0.00 0.00 0.00 0.00 46.02 46.33 1mma n GLY 749 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1mma h GLN 750 N 0.00 0.20 -1.17 1.61 1.08 -1.98 0.42 115.11 115.27 1mma h GLN 750 Ca 0.00 -0.01 0.41 0.00 -1.45 0.00 0.00 58.65 57.60 1mma h GLN 750 Cb 0.00 -0.04 -0.15 0.00 -0.05 0.00 0.00 27.48 27.24 1mma h GLN 750 CO 0.00 0.13 0.71 -0.07 -0.95 0.00 0.00 178.83 178.65 1mma h LEU 751 N 0.20 0.31 -4.91 1.46 3.38 -1.90 2.72 115.31 116.58 1mma h LEU 751 Ca 0.44 0.19 -0.76 0.00 0.09 0.00 0.00 57.88 57.84 1mma h LEU 751 Cb 1.39 0.17 -0.28 0.00 0.09 0.00 0.00 40.66 42.04 1mma h LEU 751 CO -0.10 -0.26 0.98 0.00 0.09 0.00 0.00 178.44 179.16 1mma n ALA 752 N -2.40 6.46 -0.05 1.53 0.00 0.15 -3.25 120.51 122.94 1mma n ALA 752 Ca 0.37 -4.08 0.00 0.00 0.00 0.00 0.00 53.44 49.72 1mma n ALA 752 Cb 1.32 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1mma n ALA 752 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1mma n ARG 753 N -0.56 0.00 -0.12 0.00 1.74 0.15 -4.80 116.66 113.08 1mma n ARG 753 Ca 0.54 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.63 1mma n ARG 753 Cb 0.28 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.78 1mma n ARG 753 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1mma n ILE 754 N 0.00 0.35 0.00 0.55 5.41 0.86 -4.10 119.36 122.44 1mma n ILE 754 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.54 1mma n ILE 754 Cb 0.00 -0.29 0.00 0.00 -0.71 0.00 0.00 39.64 38.64 1mma n ILE 754 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1mma n GLU 755 N 0.02 0.72 -1.09 0.38 4.07 -1.26 -4.75 120.64 118.73 1mma n GLU 755 Ca 0.04 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.02 1mma n GLU 755 Cb 0.31 -0.84 0.26 0.00 -0.06 0.00 0.00 31.44 31.10 1mma n GLU 755 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1mma n GLU 756 N -2.02 3.16 -2.51 5.31 -0.58 -1.26 -4.96 120.64 117.78 1mma n GLU 756 Ca 0.00 -3.01 -0.41 0.00 -0.42 0.00 0.00 57.16 53.33 1mma n GLU 756 Cb 0.34 -2.19 -0.04 0.00 -0.57 0.00 0.00 31.44 28.98 1mma n GLU 756 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1mma s ALA 757 N -3.06 3.38 -0.27 0.62 0.00 -1.26 -4.32 121.76 116.86 1mma s ALA 757 Ca 0.55 0.83 -0.14 0.00 0.00 0.00 0.00 51.96 53.20 1mma s ALA 757 Cb 0.45 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 1mma s ALA 757 CO 0.13 -0.16 0.34 1.03 0.00 0.00 0.00 175.76 177.09 1mma s ARG 758 N -0.80 4.01 0.00 0.00 1.81 -1.26 -5.14 118.95 117.57 1mma s ARG 758 Ca 0.47 -0.02 0.00 0.00 -1.72 0.00 0.00 55.73 54.46 1mma s ARG 758 Cb -0.30 -3.65 0.00 0.00 -0.45 0.00 0.00 34.95 30.55 1mma s ARG 758 CO 0.37 -0.25 0.00 -0.85 -0.68 0.00 0.00 175.30 173.89