#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x05 n GLY 49 N 0.00 0.37 3.74 0.00 0.00 -1.24 -4.29 105.19 103.78 2x05 n GLY 49 Ca 0.00 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 2x05 n GLY 49 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x05 s ASN 50 N -0.98 4.58 -0.29 1.61 0.01 -0.36 -4.06 114.94 115.46 2x05 s ASN 50 Ca 0.00 -0.91 -0.00 0.00 -0.71 0.00 0.00 52.86 51.24 2x05 s ASN 50 Cb 0.00 -0.60 0.18 0.00 0.41 0.00 0.00 41.25 41.24 2x05 s ASN 50 CO 0.00 -0.42 0.57 0.00 -1.51 0.00 0.00 177.10 175.74 2x05 s ALA 51 N -2.50 -2.14 -0.17 0.60 0.00 -1.26 -3.11 121.76 113.17 2x05 s ALA 51 Ca 0.40 1.66 0.01 0.00 0.00 0.00 0.00 51.96 54.02 2x05 s ALA 51 Cb 0.00 -2.16 0.02 0.00 0.00 0.00 0.00 23.12 20.99 2x05 s ALA 51 CO 0.23 -1.38 -0.17 0.99 0.00 0.00 0.00 175.76 175.43 2x05 s THR 52 N 2.82 1.90 0.61 0.00 2.01 -0.77 -4.94 115.64 117.26 2x05 s THR 52 Ca 0.19 -0.88 -0.18 0.00 0.31 0.00 0.00 61.69 61.12 2x05 s THR 52 Cb -0.15 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 2x05 s THR 52 CO -0.21 0.48 1.20 -2.16 -0.69 0.00 0.00 174.62 173.24 2x05 s PRO 53 N 1.35 2.91 -0.16 4.92 0.04 -1.26 -0.64 135.00 142.14 2x05 s PRO 53 Ca 0.04 1.80 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 2x05 s PRO 53 Cb -0.13 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 2x05 s PRO 53 CO -0.12 -1.25 1.16 0.42 0.04 0.00 0.00 177.00 177.25 2x05 s ILE 54 N -1.66 4.45 0.16 0.56 1.01 -0.07 -4.85 121.20 120.80 2x05 s ILE 54 Ca 0.77 1.75 0.19 0.00 0.00 0.00 0.00 60.65 63.36 2x05 s ILE 54 Cb -0.30 -4.13 0.13 0.00 0.01 0.00 0.00 42.46 38.18 2x05 s ILE 54 CO 0.34 -0.12 1.73 1.55 0.00 0.00 0.00 174.94 178.44 2x05 h PRO 55 N 7.75 0.00 -1.86 2.79 0.13 -1.93 -3.42 132.00 135.46 2x05 h PRO 55 Ca -0.26 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 65.14 2x05 h PRO 55 Cb 1.10 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.13 2x05 h PRO 55 CO 0.95 0.37 0.71 0.20 -0.23 0.00 0.00 178.00 180.00 2x05 s GLY 56 N -4.36 -0.30 0.05 1.56 0.00 -1.26 -2.18 107.32 100.84 2x05 s GLY 56 Ca 0.00 0.39 -0.01 0.00 0.00 0.00 0.00 44.72 45.09 2x05 s GLY 56 CO 0.69 0.63 -0.01 -0.19 0.00 0.00 0.00 173.10 174.21 2x05 s TYR 57 N -2.65 0.46 -0.03 1.90 2.02 -0.22 -4.78 117.35 114.04 2x05 s TYR 57 Ca 0.15 -0.97 -0.03 0.00 -0.37 0.00 0.00 57.07 55.85 2x05 s TYR 57 Cb 0.02 -0.34 -0.04 0.00 -0.40 0.00 0.00 41.96 41.20 2x05 s TYR 57 CO -0.01 -0.37 0.15 0.14 -1.57 0.00 0.00 175.55 173.89 2x05 s VAL 58 N -3.64 5.31 0.15 0.71 -7.23 -0.25 0.40 120.40 115.86 2x05 s VAL 58 Ca 0.04 -0.12 0.06 0.00 -1.81 0.00 0.00 61.98 60.15 2x05 s VAL 58 Cb 0.06 -3.43 -0.04 0.00 0.56 0.00 0.00 36.38 33.53 2x05 s VAL 58 CO -0.09 0.40 -0.14 0.27 -0.31 0.00 0.00 175.10 175.23 2x05 s ILE 59 N -1.23 1.45 0.00 -0.62 -4.36 0.24 -1.42 121.20 115.26 2x05 s ILE 59 Ca 0.24 -1.91 -0.27 0.00 -0.26 0.00 0.00 60.65 58.44 2x05 s ILE 59 Cb -0.12 -1.74 0.06 0.00 1.25 0.00 0.00 42.46 41.91 2x05 s ILE 59 CO 0.14 -0.50 0.61 -1.58 0.24 0.00 0.00 174.94 173.85 2x05 s GLN 60 N -3.09 1.06 0.58 0.37 2.00 -1.07 -0.72 119.66 118.78 2x05 s GLN 60 Ca 0.14 0.03 -0.20 0.00 -2.00 0.00 0.00 55.36 53.33 2x05 s GLN 60 Cb -0.03 0.49 -0.05 0.00 0.80 0.00 0.00 33.01 34.23 2x05 s GLN 60 CO 0.04 -0.36 1.16 0.45 -0.50 0.00 0.00 175.29 176.08 2x05 n SER 61 N 0.65 1.69 0.00 6.67 2.88 -1.26 -0.55 113.62 123.69 2x05 n SER 61 Ca -0.19 0.89 0.05 0.00 -1.33 0.00 0.00 58.87 58.29 2x05 n SER 61 Cb 0.59 -1.48 0.26 0.00 -0.75 0.00 0.00 64.21 62.83 2x05 n SER 61 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2x05 n SER 62 N -0.95 0.00 0.31 -3.46 3.41 -0.58 -1.56 113.62 110.79 2x05 n SER 62 Ca 0.13 0.24 0.17 0.00 -0.26 0.00 0.00 58.87 59.15 2x05 n SER 62 Cb 0.46 -0.35 0.98 0.00 -0.26 0.00 0.00 64.21 65.04 2x05 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x05 h ALA 63 N 2.47 1.41 -0.63 7.33 0.00 -1.90 -1.48 119.26 126.46 2x05 h ALA 63 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2x05 h ALA 63 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2x05 h ALA 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 2x05 n GLN 64 N -3.68 3.55 -4.05 0.00 1.13 -0.60 -4.86 117.38 108.87 2x05 n GLN 64 Ca -0.03 -2.72 -0.31 0.00 -1.94 0.00 0.00 57.00 52.00 2x05 n GLN 64 Cb 0.08 -1.85 -0.16 0.00 0.11 0.00 0.00 30.24 28.42 2x05 n GLN 64 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2x05 s VAL 65 N -1.79 1.80 -0.08 5.09 1.01 -0.56 -4.99 120.40 120.89 2x05 s VAL 65 Ca 0.49 -0.91 0.22 0.00 0.00 0.00 0.00 61.98 61.78 2x05 s VAL 65 Cb 0.31 -1.73 -0.33 0.00 0.00 0.00 0.00 36.38 34.63 2x05 s VAL 65 CO 0.24 0.38 0.50 -1.54 0.00 0.00 0.00 175.10 174.67 2x05 n SER 66 N 4.67 0.08 -3.72 3.32 3.41 -1.26 -4.84 113.62 115.28 2x05 n SER 66 Ca -0.17 -0.05 -0.28 0.00 -0.26 0.00 0.00 58.87 58.10 2x05 n SER 66 Cb 0.48 1.94 -0.16 0.00 -0.26 0.00 0.00 64.21 66.22 2x05 n SER 66 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2x05 s ASP 67 N -4.43 3.15 0.21 4.04 2.15 -1.26 -5.04 116.67 115.49 2x05 s ASP 67 Ca -0.07 -1.00 -0.15 0.00 0.43 0.00 0.00 52.55 51.76 2x05 s ASP 67 Cb 0.14 -0.62 0.22 0.00 -0.30 0.00 0.00 42.92 42.36 2x05 s ASP 67 CO 0.90 -0.34 1.61 0.44 -0.17 0.00 0.00 175.17 177.62 2x05 h ASP 68 N 8.23 -0.78 -0.18 -0.34 5.19 -2.00 -2.07 116.42 124.47 2x05 h ASP 68 Ca -0.16 0.21 0.05 0.00 -0.62 0.00 0.00 57.03 56.51 2x05 h ASP 68 Cb 1.09 0.46 -0.01 0.00 0.18 0.00 0.00 39.33 41.06 2x05 h ASP 68 CO 0.37 -0.25 0.25 0.77 -3.12 0.00 0.00 179.24 177.26 2x05 h SER 69 N -0.05 0.00 0.49 6.45 4.64 -1.96 -2.93 113.55 120.18 2x05 h SER 69 Ca 0.29 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.43 2x05 h SER 69 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 2x05 h SER 69 CO -0.68 0.00 -0.82 0.00 -0.87 0.00 0.00 176.83 174.46 2x05 h ALA 70 N 1.66 0.58 -0.33 5.18 0.00 -1.73 -3.32 119.26 121.31 2x05 h ALA 70 Ca 0.09 -0.68 0.03 0.00 0.00 0.00 0.00 54.91 54.35 2x05 h ALA 70 Cb 0.59 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2x05 h ALA 70 CO -0.00 0.86 0.22 0.28 0.00 0.00 0.00 179.25 180.60 2x05 h VAL 71 N 0.15 1.02 -0.36 0.00 2.07 -1.66 -1.20 116.25 116.26 2x05 h VAL 71 Ca -0.04 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2x05 h VAL 71 Cb 1.42 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2x05 h VAL 71 CO 0.13 0.06 0.00 -1.54 0.02 0.00 0.00 177.57 176.24 2x05 n SER 72 N -4.49 3.10 -4.70 0.57 3.41 -1.25 -4.82 113.62 105.45 2x05 n SER 72 Ca 0.03 -1.94 -0.40 0.00 -0.26 0.00 0.00 58.87 56.30 2x05 n SER 72 Cb 0.15 -0.23 -0.05 0.00 -0.26 0.00 0.00 64.21 63.82 2x05 n SER 72 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2x05 s LYS 73 N -1.53 4.37 0.20 4.33 1.02 -0.45 -1.55 119.74 126.13 2x05 s LYS 73 Ca 0.38 0.84 -0.32 0.00 0.02 0.00 0.00 55.97 56.88 2x05 s LYS 73 Cb 0.22 -3.49 -0.13 0.00 -0.52 0.00 0.00 37.83 33.90 2x05 s LYS 73 CO 0.30 -0.05 1.55 -2.30 -0.92 0.00 0.00 175.35 173.93 2x05 n PRO 74 N 4.23 2.25 0.00 -1.68 -0.02 -1.26 -1.32 135.00 137.21 2x05 n PRO 74 Ca -0.01 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2x05 n PRO 74 Cb 0.51 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2x05 n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x05 n GLY 75 N 2.98 0.71 3.62 -1.23 0.00 -1.26 -5.05 105.19 104.95 2x05 n GLY 75 Ca 0.14 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.61 2x05 n GLY 75 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2x05 n PHE 76 N -2.00 1.90 -2.20 1.61 7.35 -0.43 -4.90 117.46 118.80 2x05 n PHE 76 Ca 0.00 0.46 -0.41 0.00 -0.76 0.00 0.00 57.45 56.74 2x05 n PHE 76 Cb 0.00 -2.48 -0.03 0.00 0.35 0.00 0.00 39.48 37.33 2x05 n PHE 76 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2x05 s PRO 77 N 4.42 4.42 -0.07 -7.13 0.04 -1.26 -4.95 135.00 130.46 2x05 s PRO 77 Ca 1.02 2.12 0.15 0.00 0.04 0.00 0.00 61.00 64.33 2x05 s PRO 77 Cb -1.03 -3.10 0.30 0.00 0.04 0.00 0.00 34.50 30.71 2x05 s PRO 77 CO 0.61 -0.10 1.14 0.25 0.04 0.00 0.00 177.00 178.93 2x05 n THR 78 N 0.98 0.85 -1.70 1.26 -2.24 -1.26 -5.07 114.28 107.09 2x05 n THR 78 Ca 0.00 -1.51 -0.43 0.00 -2.27 0.00 0.00 64.05 59.83 2x05 n THR 78 Cb 0.42 0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 69.01 2x05 n THR 78 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2x05 n SER 79 N -0.33 3.15 0.00 3.42 2.88 -1.26 -1.11 113.62 120.37 2x05 n SER 79 Ca 0.09 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 2x05 n SER 79 Cb 0.85 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 2x05 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2x05 n GLY 80 N 2.03 1.33 3.81 0.46 0.00 -1.26 -5.03 105.19 106.54 2x05 n GLY 80 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2x05 n GLY 80 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2x05 s TRP 81 N -3.77 3.19 -0.39 1.61 0.52 -0.26 -5.00 118.94 114.84 2x05 s TRP 81 Ca 0.00 1.56 -0.18 0.00 0.02 0.00 0.00 56.10 57.50 2x05 s TRP 81 Cb 0.00 -2.93 0.01 0.00 -1.15 0.00 0.00 33.47 29.39 2x05 s TRP 81 CO 0.00 -0.52 0.49 0.71 0.02 0.00 0.00 176.95 177.66 2x05 s TYR 82 N -2.21 3.16 0.24 -1.98 2.02 0.10 -4.78 117.35 113.89 2x05 s TYR 82 Ca 0.63 -0.07 -0.30 0.00 -0.37 0.00 0.00 57.07 56.97 2x05 s TYR 82 Cb -0.12 -2.96 -0.09 0.00 -0.40 0.00 0.00 41.96 38.38 2x05 s TYR 82 CO 0.21 -0.64 1.33 -1.25 -1.57 0.00 0.00 175.55 173.63 2x05 s PRO 83 N 2.34 4.37 0.05 -1.71 0.04 -1.26 -0.60 135.00 138.24 2x05 s PRO 83 Ca 0.16 2.13 0.02 0.00 0.04 0.00 0.00 61.00 63.36 2x05 s PRO 83 Cb -0.16 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.21 2x05 s PRO 83 CO 0.14 -0.25 -0.08 0.14 0.04 0.00 0.00 177.00 176.99 2x05 s VAL 84 N -0.24 0.59 0.82 -0.36 -7.23 0.16 -4.81 120.40 109.33 2x05 s VAL 84 Ca 0.55 -1.23 -0.12 0.00 -1.81 0.00 0.00 61.98 59.37 2x05 s VAL 84 Cb -0.38 -0.80 0.08 0.00 0.56 0.00 0.00 36.38 35.84 2x05 s VAL 84 CO 0.42 -0.46 1.10 -0.44 -0.31 0.00 0.00 175.10 175.42 2x05 s SER 85 N -1.83 4.29 0.82 4.85 0.01 -1.26 -1.06 113.70 119.53 2x05 s SER 85 Ca -0.06 1.27 -0.14 0.00 1.31 0.00 0.00 55.95 58.33 2x05 s SER 85 Cb -0.07 -1.98 0.02 0.00 0.21 0.00 0.00 66.02 64.19 2x05 s SER 85 CO -0.00 -2.09 0.68 -0.24 0.41 0.00 0.00 173.24 171.99 2x05 n SER 86 N -3.51 -0.86 -1.34 2.44 2.88 -0.93 -3.46 113.62 108.85 2x05 n SER 86 Ca 0.07 0.50 -0.14 0.00 -1.33 0.00 0.00 58.87 57.97 2x05 n SER 86 Cb 0.57 -1.30 -0.03 0.00 -0.75 0.00 0.00 64.21 62.70 2x05 n SER 86 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2x05 n ARG 87 N -1.79 -1.03 -3.34 -1.46 1.74 -1.23 -4.94 116.66 104.61 2x05 n ARG 87 Ca 0.10 0.81 -0.38 0.00 -0.77 0.00 0.00 57.85 57.61 2x05 n ARG 87 Cb 0.51 -4.99 -0.06 0.00 -1.02 0.00 0.00 32.46 26.90 2x05 n ARG 87 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2x05 s SER 88 N -2.59 6.60 0.72 0.55 0.01 -1.10 -4.56 113.70 113.34 2x05 s SER 88 Ca 0.00 0.72 -0.13 0.00 1.31 0.00 0.00 55.95 57.85 2x05 s SER 88 Cb 0.00 -2.27 0.03 0.00 0.21 0.00 0.00 66.02 64.00 2x05 s SER 88 CO 0.00 -0.02 1.11 0.42 0.41 0.00 0.00 173.24 175.16 2x05 s THR 89 N 0.82 3.18 0.17 1.44 -4.23 -1.26 -2.68 115.64 113.08 2x05 s THR 89 Ca 0.24 0.47 -0.14 0.00 -1.18 0.00 0.00 61.69 61.07 2x05 s THR 89 Cb -0.15 -2.95 0.05 0.00 1.34 0.00 0.00 72.50 70.79 2x05 s THR 89 CO 0.09 -0.42 1.83 0.58 -0.54 0.00 0.00 174.62 176.16 2x05 h VAL 90 N -0.59 1.12 -0.61 2.29 2.07 -1.23 -0.76 116.25 118.53 2x05 h VAL 90 Ca -0.45 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 2x05 h VAL 90 Cb 1.24 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2x05 h VAL 90 CO 0.52 0.12 0.12 0.22 0.02 0.00 0.00 177.57 178.57 2x05 h TYR 91 N 0.67 1.06 -0.49 1.57 3.20 -1.94 -0.91 116.97 120.12 2x05 h TYR 91 Ca 0.19 -0.14 0.04 0.00 3.14 0.00 0.00 58.73 61.96 2x05 h TYR 91 Cb -0.07 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 37.87 2x05 h TYR 91 CO -0.04 0.90 0.25 0.00 -1.64 0.00 0.00 178.16 177.62 2x05 h ALA 92 N 1.03 0.63 -0.10 1.82 0.00 -1.74 -1.29 119.26 119.61 2x05 h ALA 92 Ca 0.19 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2x05 h ALA 92 Cb 0.40 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2x05 h ALA 92 CO 0.01 -0.10 -0.19 0.78 0.00 0.00 0.00 179.25 179.75 2x05 h GLY 93 N 0.49 0.17 1.91 0.00 0.00 -0.63 0.51 103.07 105.52 2x05 h GLY 93 Ca 0.22 -0.11 -0.12 0.00 0.00 0.00 0.00 47.33 47.32 2x05 h GLY 93 CO -0.15 0.10 -0.55 1.41 0.00 0.00 0.00 176.54 177.35 2x05 h LEU 94 N 0.15 0.11 -0.45 3.11 3.38 -0.85 -2.75 115.31 118.00 2x05 h LEU 94 Ca 0.03 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 2x05 h LEU 94 Cb 0.42 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2x05 h LEU 94 CO 0.03 0.63 -0.57 -0.07 0.09 0.00 0.00 178.44 178.55 2x05 h LEU 95 N 0.07 0.00 -1.72 1.67 3.38 -0.12 -2.02 115.31 116.58 2x05 h LEU 95 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2x05 h LEU 95 Cb 0.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2x05 h LEU 95 CO 0.08 0.57 -0.15 1.56 0.09 0.00 0.00 178.44 180.59 2x05 h GLN 96 N 0.00 0.00 -0.68 1.13 4.20 -0.69 -3.08 115.11 115.99 2x05 h GLN 96 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2x05 h GLN 96 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2x05 h GLN 96 CO 0.07 0.15 0.00 0.09 -0.67 0.00 0.00 178.83 178.47 2x05 n ASN 97 N -4.33 4.29 -1.10 1.46 3.02 -0.99 -4.94 115.26 112.67 2x05 n ASN 97 Ca -0.03 -2.24 -0.11 0.00 -0.03 0.00 0.00 54.58 52.17 2x05 n ASN 97 Cb 0.22 -0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 2x05 n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x05 n GLY 98 N 1.35 0.52 0.08 7.41 0.00 -1.15 -4.93 105.19 108.48 2x05 n GLY 98 Ca 0.25 -0.45 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 2x05 n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x05 h LYS 99 N 0.00 0.00 -4.44 1.61 1.79 -1.63 -3.48 116.57 110.42 2x05 h LYS 99 Ca -0.25 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.03 2x05 h LYS 99 Cb 0.99 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.48 2x05 h LYS 99 CO 0.33 0.89 -0.69 0.71 -1.08 0.00 0.00 179.45 179.60 2x05 s TYR 100 N -2.95 0.69 1.13 -1.35 2.02 -1.26 -5.06 117.35 110.57 2x05 s TYR 100 Ca 0.00 -0.90 -0.14 0.00 -0.37 0.00 0.00 57.07 55.66 2x05 s TYR 100 Cb 0.11 -0.43 0.26 0.00 -0.40 0.00 0.00 41.96 41.49 2x05 s TYR 100 CO 0.80 -0.23 1.06 0.00 -1.57 0.00 0.00 175.55 175.61 2x05 s ALA 101 N -3.35 0.18 -0.45 3.71 0.00 -1.26 -4.88 121.76 115.72 2x05 s ALA 101 Ca 0.06 -0.43 -0.28 0.00 0.00 0.00 0.00 51.96 51.31 2x05 s ALA 101 Cb 0.04 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.05 2x05 s ALA 101 CO -0.06 -3.50 1.54 0.34 0.00 0.00 0.00 175.76 174.08 2x05 s ASP 102 N -3.16 6.09 0.64 0.00 2.15 -1.26 -4.85 116.67 116.28 2x05 s ASP 102 Ca 0.68 0.75 0.35 0.00 0.43 0.00 0.00 52.55 54.76 2x05 s ASP 102 Cb -0.19 -2.54 1.96 0.00 -0.30 0.00 0.00 42.92 41.85 2x05 s ASP 102 CO 0.60 -1.65 2.18 1.55 -0.17 0.00 0.00 175.17 177.68 2x05 h PRO 103 N 11.65 0.00 0.00 4.34 0.13 -1.89 0.20 132.00 146.43 2x05 h PRO 103 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2x05 h PRO 103 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2x05 h PRO 103 CO 1.11 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 180.07 2x05 n PHE 104 N -3.33 0.20 -3.99 1.56 3.01 -1.26 -4.38 117.46 109.28 2x05 n PHE 104 Ca -0.01 0.07 -0.35 0.00 1.01 0.00 0.00 57.45 58.16 2x05 n PHE 104 Cb 0.22 -0.61 -0.13 0.00 -0.01 0.00 0.00 39.48 38.95 2x05 n PHE 104 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 2x05 s TYR 105 N -3.05 3.05 0.00 1.38 5.04 0.71 -4.36 117.35 120.11 2x05 s TYR 105 Ca 0.10 -0.49 0.00 0.00 -2.44 0.00 0.00 57.07 54.24 2x05 s TYR 105 Cb 0.14 -2.12 0.00 0.00 0.35 0.00 0.00 41.96 40.33 2x05 s TYR 105 CO 0.42 -0.29 0.00 0.45 -1.34 0.00 0.00 175.55 174.79 2x05 n SER 106 N 4.43 0.00 -1.16 4.32 2.88 -0.18 -2.29 113.62 121.61 2x05 n SER 106 Ca -0.17 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.45 2x05 n SER 106 Cb 0.52 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 64.26 2x05 n SER 106 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2x05 n THR 107 N 0.00 1.84 -0.32 2.46 -2.24 -1.26 -4.71 114.28 110.05 2x05 n THR 107 Ca 0.00 -1.38 0.21 0.00 -2.27 0.00 0.00 64.05 60.61 2x05 n THR 107 Cb 0.00 0.07 0.41 0.00 -2.10 0.00 0.00 70.33 68.71 2x05 n THR 107 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2x05 h ASN 108 N 2.86 0.15 -0.42 3.42 2.35 -1.72 0.15 115.58 122.38 2x05 h ASN 108 Ca 0.00 0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.95 2x05 h ASN 108 Cb 1.31 0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.92 2x05 h ASN 108 CO 0.19 -0.24 0.18 -0.03 -1.65 0.00 0.00 177.43 175.88 2x05 h MET 109 N 0.17 0.67 0.00 0.81 4.05 -1.82 -1.79 114.93 117.03 2x05 h MET 109 Ca 0.68 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 60.01 2x05 h MET 109 Cb 1.56 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 32.23 2x05 h MET 109 CO -0.71 0.56 -0.01 1.96 0.23 0.00 0.00 176.91 178.94 2x05 h GLN 110 N 0.67 0.00 -0.05 0.39 4.20 -1.06 -2.92 115.11 116.33 2x05 h GLN 110 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2x05 h GLN 110 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2x05 h GLN 110 CO -0.02 0.01 0.00 0.09 -0.67 0.00 0.00 178.83 178.24 2x05 n ASN 111 N -3.85 1.01 -4.67 1.46 3.02 -0.67 -4.84 115.26 106.71 2x05 n ASN 111 Ca -0.03 -1.43 -0.42 0.00 -0.03 0.00 0.00 54.58 52.67 2x05 n ASN 111 Cb 0.09 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 2x05 n ASN 111 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2x05 s VAL 112 N -1.95 4.82 0.14 2.41 1.01 -1.11 -5.00 120.40 120.73 2x05 s VAL 112 Ca 0.37 1.82 -0.31 0.00 0.00 0.00 0.00 61.98 63.86 2x05 s VAL 112 Cb 0.19 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 32.24 2x05 s VAL 112 CO 0.31 -0.01 1.82 -2.65 0.00 0.00 0.00 175.10 174.56 2x05 n PRO 113 N 5.35 2.80 0.07 2.72 -0.02 -1.26 -4.88 135.00 139.77 2x05 n PRO 113 Ca 0.07 1.02 -0.13 0.00 -2.02 0.00 0.00 63.50 62.43 2x05 n PRO 113 Cb 0.48 -2.90 -0.14 0.00 -0.02 0.00 0.00 33.50 30.92 2x05 n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x05 h ALA 114 N 8.23 0.25 -0.99 3.55 0.00 -1.94 -3.38 119.26 124.98 2x05 h ALA 114 Ca -0.46 -0.99 0.18 0.00 0.00 0.00 0.00 54.91 53.64 2x05 h ALA 114 Cb 1.22 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 2x05 h ALA 114 CO 0.95 1.13 0.61 0.00 0.00 0.00 0.00 179.25 181.94 2x05 h ALA 115 N 0.69 1.73 0.00 0.00 0.00 -1.92 -0.69 119.26 119.07 2x05 h ALA 115 Ca -0.14 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2x05 h ALA 115 Cb 1.94 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2x05 h ALA 115 CO 0.17 -0.06 0.00 -0.56 0.00 0.00 0.00 179.25 178.79 2x05 h GLN 116 N 0.76 0.00 -0.63 0.00 3.07 -1.98 -1.51 115.11 114.81 2x05 h GLN 116 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.28 2x05 h GLN 116 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.41 2x05 h GLN 116 CO -0.32 0.00 0.00 1.19 0.09 0.00 0.00 178.83 179.79 2x05 n PHE 117 N -3.04 0.84 1.30 0.06 3.72 -0.26 -4.02 117.46 116.06 2x05 n PHE 117 Ca -0.03 -0.43 0.13 0.00 -0.05 0.00 0.00 57.45 57.08 2x05 n PHE 117 Cb 0.08 -0.00 0.47 0.00 -0.94 0.00 0.00 39.48 39.08 2x05 n PHE 117 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2x05 n SER 118 N 1.60 0.80 -4.56 4.37 3.41 -0.57 -4.73 113.62 113.95 2x05 n SER 118 Ca 0.23 -0.76 -0.24 0.00 -0.26 0.00 0.00 58.87 57.84 2x05 n SER 118 Cb 0.62 0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.53 2x05 n SER 118 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2x05 s VAL 119 N -2.49 2.80 0.80 -3.33 -7.23 -1.26 -4.86 120.40 104.83 2x05 s VAL 119 Ca 0.26 -2.16 -0.15 0.00 -1.81 0.00 0.00 61.98 58.12 2x05 s VAL 119 Cb 0.20 -2.58 0.01 0.00 0.56 0.00 0.00 36.38 34.57 2x05 s VAL 119 CO 0.50 -0.34 0.71 -2.65 -0.31 0.00 0.00 175.10 173.00 2x05 n PRO 120 N -0.78 0.15 -4.45 4.82 -0.02 -1.26 -4.54 135.00 128.91 2x05 n PRO 120 Ca -0.05 0.10 -0.26 0.00 -2.02 0.00 0.00 63.50 61.27 2x05 n PRO 120 Cb 0.60 -2.02 -0.13 0.00 -0.02 0.00 0.00 33.50 31.93 2x05 n PRO 120 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2x05 s TRP 121 N -2.07 2.01 -0.11 6.00 0.52 0.04 -1.53 118.94 123.80 2x05 s TRP 121 Ca 0.66 -0.40 -0.10 0.00 0.02 0.00 0.00 56.10 56.28 2x05 s TRP 121 Cb -0.30 -1.13 -0.05 0.00 -1.15 0.00 0.00 33.47 30.85 2x05 s TRP 121 CO 0.58 0.22 0.22 -1.58 0.02 0.00 0.00 176.95 176.40 2x05 s TRP 122 N -1.02 3.59 -0.19 -1.98 0.52 0.28 -0.21 118.94 119.93 2x05 s TRP 122 Ca 0.09 0.62 -0.03 0.00 0.02 0.00 0.00 56.10 56.81 2x05 s TRP 122 Cb -0.10 -2.10 -0.01 0.00 -1.15 0.00 0.00 33.47 30.11 2x05 s TRP 122 CO 0.04 0.60 -0.06 0.71 0.02 0.00 0.00 176.95 178.26 2x05 s TYR 123 N -0.68 2.93 0.02 -1.98 2.02 0.11 -2.60 117.35 117.17 2x05 s TYR 123 Ca 0.16 -0.77 0.04 0.00 -0.37 0.00 0.00 57.07 56.14 2x05 s TYR 123 Cb -0.13 -2.02 -0.02 0.00 -0.40 0.00 0.00 41.96 39.40 2x05 s TYR 123 CO 0.05 -0.39 -0.13 0.50 -1.57 0.00 0.00 175.55 174.01 2x05 s ARG 124 N 1.03 0.98 -0.02 -0.62 3.52 -0.50 -0.59 118.95 122.74 2x05 s ARG 124 Ca 0.00 -0.63 -0.25 0.00 -0.13 0.00 0.00 55.73 54.73 2x05 s ARG 124 Cb -0.15 -0.97 0.05 0.00 -1.56 0.00 0.00 34.95 32.33 2x05 s ARG 124 CO -0.00 0.25 0.54 -0.08 -0.81 0.00 0.00 175.30 175.20 2x05 s THR 125 N -0.61 0.02 0.38 4.11 -1.32 -0.56 -1.09 115.64 116.57 2x05 s THR 125 Ca 0.03 -0.19 -0.06 0.00 -1.21 0.00 0.00 61.69 60.26 2x05 s THR 125 Cb -0.07 -0.87 -0.05 0.00 -1.51 0.00 0.00 72.50 70.00 2x05 s THR 125 CO 0.00 -0.10 0.67 -1.81 -2.21 0.00 0.00 174.62 171.17 2x05 s ASP 126 N -1.35 6.40 -0.05 8.08 1.01 -1.26 -0.55 116.67 128.95 2x05 s ASP 126 Ca -0.11 0.85 0.03 0.00 0.71 0.00 0.00 52.55 54.03 2x05 s ASP 126 Cb -0.02 -2.21 0.00 0.00 1.01 0.00 0.00 42.92 41.71 2x05 s ASP 126 CO 0.06 -0.36 -0.14 -0.76 0.21 0.00 0.00 175.17 174.19 2x05 s LEU 127 N -4.03 1.79 -0.09 1.23 1.43 0.70 -4.89 118.68 114.82 2x05 s LEU 127 Ca 0.46 -0.30 -0.18 0.00 -1.03 0.00 0.00 54.13 53.08 2x05 s LEU 127 Cb -0.10 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 45.25 2x05 s LEU 127 CO 0.35 0.09 0.50 0.20 0.23 0.00 0.00 176.35 177.71 2x05 s ASN 128 N 0.31 6.75 -0.09 2.29 0.02 -1.26 0.67 114.94 123.62 2x05 s ASN 128 Ca -0.08 0.89 0.03 0.00 -1.02 0.00 0.00 52.86 52.68 2x05 s ASN 128 Cb -0.13 -2.30 0.01 0.00 0.02 0.00 0.00 41.25 38.85 2x05 s ASN 128 CO 0.02 0.03 -0.18 -0.69 0.02 0.00 0.00 177.10 176.31 2x05 s VAL 129 N 0.40 1.62 0.06 1.60 1.01 0.03 -4.98 120.40 120.15 2x05 s VAL 129 Ca 0.27 -0.75 0.10 0.00 0.00 0.00 0.00 61.98 61.61 2x05 s VAL 129 Cb -0.16 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.70 2x05 s VAL 129 CO 0.12 0.46 1.40 0.44 0.00 0.00 0.00 175.10 177.52 2x05 h ASP 130 N 7.03 0.00 -5.25 3.32 3.32 -1.92 -0.08 116.42 122.84 2x05 h ASP 130 Ca -0.27 0.00 0.20 0.00 0.02 0.00 0.00 57.03 56.98 2x05 h ASP 130 Cb 1.20 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.65 2x05 h ASP 130 CO 0.48 0.77 0.57 1.51 -1.72 0.00 0.00 179.24 180.85 2x05 s ASP 131 N -6.63 -0.18 -0.36 6.45 -4.77 -1.26 -4.79 116.67 105.12 2x05 s ASP 131 Ca 0.02 -0.27 0.07 0.00 -3.30 0.00 0.00 52.55 49.07 2x05 s ASP 131 Cb 0.10 0.39 0.62 0.00 -1.09 0.00 0.00 42.92 42.94 2x05 s ASP 131 CO 0.78 -0.71 1.73 0.35 0.70 0.00 0.00 175.17 178.03 2x05 n THR 132 N -0.42 2.90 0.10 2.11 -2.24 -1.26 -4.42 114.28 111.05 2x05 n THR 132 Ca -0.07 -2.14 -0.15 0.00 -2.27 0.00 0.00 64.05 59.43 2x05 n THR 132 Cb 0.61 -0.39 -0.12 0.00 -2.10 0.00 0.00 70.33 68.33 2x05 n THR 132 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2x05 h SER 133 N 1.34 0.43 -3.37 3.42 0.02 -1.98 -3.44 113.55 109.97 2x05 h SER 133 Ca 0.40 -0.44 -0.55 0.00 -0.84 0.00 0.00 61.79 60.36 2x05 h SER 133 Cb 2.32 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 64.68 2x05 h SER 133 CO 0.77 1.32 0.07 -0.44 -1.14 0.00 0.00 176.83 177.40 2x05 s SER 134 N -7.13 7.19 0.84 3.07 0.01 -1.26 -4.91 113.70 111.51 2x05 s SER 134 Ca -0.04 1.41 -0.12 0.00 1.31 0.00 0.00 55.95 58.52 2x05 s SER 134 Cb 0.07 -2.42 0.10 0.00 0.21 0.00 0.00 66.02 63.98 2x05 s SER 134 CO 0.88 0.20 1.16 -0.13 0.41 0.00 0.00 173.24 175.76 2x05 s ARG 135 N -0.89 1.52 -0.00 12.44 0.52 0.07 -4.85 118.95 127.75 2x05 s ARG 135 Ca 0.33 1.58 0.04 0.00 -0.52 0.00 0.00 55.73 57.16 2x05 s ARG 135 Cb -0.21 -1.78 -0.01 0.00 0.52 0.00 0.00 34.95 33.47 2x05 s ARG 135 CO 0.22 -2.27 -0.14 0.99 0.02 0.00 0.00 175.30 174.12 2x05 s THR 136 N -2.46 1.11 0.01 0.02 2.01 -1.26 -3.02 115.64 112.06 2x05 s THR 136 Ca 0.69 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 62.01 2x05 s THR 136 Cb -0.24 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.31 2x05 s THR 136 CO 0.54 0.25 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.39 2x05 s TYR 137 N -0.43 0.21 -0.21 4.92 2.02 -0.02 -1.05 117.35 122.79 2x05 s TYR 137 Ca 0.05 -0.21 -0.11 0.00 -0.37 0.00 0.00 57.07 56.43 2x05 s TYR 137 Cb -0.06 -0.14 -0.05 0.00 -0.40 0.00 0.00 41.96 41.31 2x05 s TYR 137 CO -0.00 -0.06 0.15 -0.51 -1.57 0.00 0.00 175.55 173.56 2x05 s LEU 138 N -0.59 4.19 -0.09 -1.29 1.43 -0.22 -0.37 118.68 121.74 2x05 s LEU 138 Ca -0.05 0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 53.27 2x05 s LEU 138 Cb -0.04 -2.12 0.02 0.00 0.03 0.00 0.00 46.19 44.08 2x05 s LEU 138 CO -0.00 0.14 -0.07 -0.62 0.23 0.00 0.00 176.35 176.03 2x05 s ASP 139 N 0.55 1.92 -0.09 2.29 2.15 -0.61 -0.01 116.67 122.86 2x05 s ASP 139 Ca 0.09 -0.25 -0.30 0.00 0.43 0.00 0.00 52.55 52.52 2x05 s ASP 139 Cb -0.12 -0.73 0.12 0.00 -0.30 0.00 0.00 42.92 41.89 2x05 s ASP 139 CO 0.00 -0.11 0.99 0.72 -0.17 0.00 0.00 175.17 176.60 2x05 s PHE 140 N 1.56 -0.30 0.00 -5.34 -0.12 -0.37 0.08 117.98 113.49 2x05 s PHE 140 Ca 0.01 0.29 0.00 0.00 -0.05 0.00 0.00 56.93 57.18 2x05 s PHE 140 Cb -0.13 0.51 0.00 0.00 -0.63 0.00 0.00 43.02 42.77 2x05 s PHE 140 CO -0.05 -0.41 0.00 -1.13 -0.05 0.00 0.00 175.22 173.57 2x05 n SER 141 N 0.06 0.16 -0.03 1.98 3.41 -1.26 -0.53 113.62 117.40 2x05 n SER 141 Ca -0.07 -0.79 -0.00 0.00 -0.26 0.00 0.00 58.87 57.74 2x05 n SER 141 Cb 0.60 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2x05 n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x05 n GLY 142 N 0.40 0.37 3.63 5.00 0.00 -0.16 -4.19 105.19 110.23 2x05 n GLY 142 Ca 0.00 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 2x05 n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x05 s VAL 143 N -2.02 5.14 -0.20 1.61 0.11 -1.25 0.41 120.40 124.20 2x05 s VAL 143 Ca 0.00 0.74 -0.02 0.00 -2.93 0.00 0.00 61.98 59.77 2x05 s VAL 143 Cb 0.00 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 31.10 2x05 s VAL 143 CO 0.00 0.16 -0.11 -0.76 -3.33 0.00 0.00 175.10 171.07 2x05 s LEU 144 N 1.90 2.59 -0.02 2.54 1.43 -0.42 -3.18 118.68 123.51 2x05 s LEU 144 Ca 0.19 -0.50 0.21 0.00 -1.03 0.00 0.00 54.13 52.99 2x05 s LEU 144 Cb -0.15 -1.63 -0.31 0.00 0.03 0.00 0.00 46.19 44.13 2x05 s LEU 144 CO 0.09 -0.01 0.51 -1.54 0.23 0.00 0.00 176.35 175.63 2x05 n SER 145 N 4.72 0.38 -3.60 2.29 3.41 -0.85 -1.07 113.62 118.90 2x05 n SER 145 Ca -0.19 -0.14 -0.04 0.00 -0.26 0.00 0.00 58.87 58.24 2x05 n SER 145 Cb 0.50 1.81 -0.02 0.00 -0.26 0.00 0.00 64.21 66.24 2x05 n SER 145 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2x05 s LYS 146 N -3.35 0.39 -0.14 4.33 -2.85 -1.26 -1.15 119.74 115.70 2x05 s LYS 146 Ca -0.05 -0.16 -0.20 0.00 -1.00 0.00 0.00 55.97 54.55 2x05 s LYS 146 Cb 0.13 0.17 0.05 0.00 -2.06 0.00 0.00 37.83 36.12 2x05 s LYS 146 CO 0.85 -0.17 0.52 0.00 0.10 0.00 0.00 175.35 176.65 2x05 s ALA 147 N -2.50 -1.31 0.20 0.59 0.00 0.08 -1.35 121.76 117.47 2x05 s ALA 147 Ca 0.10 1.27 -0.26 0.00 0.00 0.00 0.00 51.96 53.07 2x05 s ALA 147 Cb 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 23.12 22.48 2x05 s ALA 147 CO -0.05 -0.27 0.83 -0.51 0.00 0.00 0.00 175.76 175.75 2x05 s ASP 148 N -0.26 7.41 -0.13 0.00 1.01 -1.08 -2.58 116.67 121.05 2x05 s ASP 148 Ca -0.04 1.71 0.03 0.00 0.71 0.00 0.00 52.55 54.96 2x05 s ASP 148 Cb -0.03 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.38 2x05 s ASP 148 CO 0.03 0.15 -0.22 -0.69 0.21 0.00 0.00 175.17 174.66 2x05 s VAL 149 N -1.24 2.14 0.09 -1.27 1.01 -0.44 -0.67 120.40 120.01 2x05 s VAL 149 Ca 0.39 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.50 2x05 s VAL 149 Cb -0.23 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 2x05 s VAL 149 CO 0.27 0.55 -0.24 0.26 0.00 0.00 0.00 175.10 175.94 2x05 s TRP 150 N 0.72 2.04 -0.04 5.22 0.52 0.71 -1.23 118.94 126.88 2x05 s TRP 150 Ca -0.09 -0.40 -0.02 0.00 0.02 0.00 0.00 56.10 55.62 2x05 s TRP 150 Cb -0.16 -1.16 0.03 0.00 -1.15 0.00 0.00 33.47 31.03 2x05 s TRP 150 CO 0.00 0.20 0.05 0.08 0.02 0.00 0.00 176.95 177.31 2x05 s VAL 151 N -0.98 -0.10 -1.36 4.03 1.01 -0.16 -1.46 120.40 121.39 2x05 s VAL 151 Ca 0.10 0.38 -0.05 0.00 0.00 0.00 0.00 61.98 62.41 2x05 s VAL 151 Cb -0.10 -0.13 0.03 0.00 0.00 0.00 0.00 36.38 36.18 2x05 s VAL 151 CO 0.04 0.16 0.38 0.59 0.00 0.00 0.00 175.10 176.27 2x05 n ASN 152 N 5.04 -4.68 0.00 3.32 3.02 -0.60 -1.57 115.26 119.80 2x05 n ASN 152 Ca -0.09 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 2x05 n ASN 152 Cb 0.50 -3.85 0.00 0.00 -0.61 0.00 0.00 39.78 35.82 2x05 n ASN 152 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x05 n GLY 153 N -1.19 0.72 3.47 7.41 0.00 -1.20 -4.76 105.19 109.63 2x05 n GLY 153 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 2x05 n GLY 153 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x05 s THR 154 N -2.30 3.18 -0.84 2.61 2.01 -0.61 -4.84 115.64 114.84 2x05 s THR 154 Ca 0.00 -0.66 -0.22 0.00 0.31 0.00 0.00 61.69 61.12 2x05 s THR 154 Cb 0.00 -2.28 0.08 0.00 0.01 0.00 0.00 72.50 70.31 2x05 s THR 154 CO 0.00 0.57 1.16 -0.75 -0.69 0.00 0.00 174.62 174.92 2x05 s LYS 155 N -0.47 3.40 0.27 4.92 2.20 -1.26 -0.99 119.74 127.81 2x05 s LYS 155 Ca 0.06 -1.17 0.26 0.00 -0.36 0.00 0.00 55.97 54.76 2x05 s LYS 155 Cb -0.12 -4.72 0.87 0.00 -1.51 0.00 0.00 37.83 32.36 2x05 s LYS 155 CO 0.02 -1.92 1.76 -0.39 -0.36 0.00 0.00 175.35 174.45 2x05 h VAL 156 N 6.11 0.00 -2.16 4.02 -1.51 -1.53 -3.46 116.25 117.72 2x05 h VAL 156 Ca -0.02 -0.43 -0.03 0.00 -1.23 0.00 0.00 66.70 64.99 2x05 h VAL 156 Cb 1.04 1.34 -0.18 0.00 -2.13 0.00 0.00 31.29 31.36 2x05 h VAL 156 CO 1.22 0.00 0.25 0.00 -1.23 0.00 0.00 177.57 177.81 2x05 s ALA 157 N -3.23 -1.76 0.36 5.19 0.00 -1.13 -4.98 121.76 116.22 2x05 s ALA 157 Ca 0.07 1.17 0.07 0.00 0.00 0.00 0.00 51.96 53.28 2x05 s ALA 157 Cb 0.10 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 2x05 s ALA 157 CO 0.53 -0.46 0.39 0.95 0.00 0.00 0.00 175.76 177.17 2x05 s THR 158 N -1.77 3.40 -0.93 0.00 -4.23 -1.26 -1.33 115.64 109.52 2x05 s THR 158 Ca -0.07 -1.22 0.06 0.00 -1.18 0.00 0.00 61.69 59.28 2x05 s THR 158 Cb -0.00 -3.17 0.05 0.00 1.34 0.00 0.00 72.50 70.72 2x05 s THR 158 CO 0.04 -0.11 1.19 2.29 -0.54 0.00 0.00 174.62 177.49 2x05 n LYS 159 N -1.54 0.02 0.07 3.99 2.85 -1.06 -1.23 118.16 121.25 2x05 n LYS 159 Ca 0.01 0.44 -0.05 0.00 -1.05 0.00 0.00 58.31 57.66 2x05 n LYS 159 Cb 0.60 -1.54 -0.09 0.00 -0.65 0.00 0.00 35.03 33.34 2x05 n LYS 159 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2x05 h ASP 160 N 0.00 0.00 0.00 -5.58 3.32 -1.94 -3.38 116.42 108.83 2x05 h ASP 160 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2x05 h ASP 160 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2x05 h ASP 160 CO 0.00 0.89 -0.20 -0.61 -1.72 0.00 0.00 179.24 177.60 2x05 h GLN 161 N 0.00 0.00 -5.68 3.56 4.15 -1.76 -3.43 115.11 111.95 2x05 h GLN 161 Ca -0.02 0.00 -0.42 0.00 0.77 0.00 0.00 58.65 58.98 2x05 h GLN 161 Cb 1.69 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.33 2x05 h GLN 161 CO 0.11 0.00 1.24 0.08 -1.93 0.00 0.00 178.83 178.33 2x05 s VAL 162 N -1.52 3.67 -0.14 2.39 1.01 -0.36 -4.85 120.40 120.59 2x05 s VAL 162 Ca -0.06 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 2x05 s VAL 162 Cb 0.01 -4.59 0.06 0.00 0.00 0.00 0.00 36.38 31.86 2x05 s VAL 162 CO 0.09 -1.28 0.33 0.21 0.00 0.00 0.00 175.10 174.44 2x05 s ASN 163 N 6.31 -0.21 0.00 3.32 3.84 -1.26 -0.74 114.94 126.20 2x05 s ASN 163 Ca 0.64 0.72 0.00 0.00 0.21 0.00 0.00 52.86 54.43 2x05 s ASN 163 Cb -0.01 0.72 0.00 0.00 -0.55 0.00 0.00 41.25 41.41 2x05 s ASN 163 CO 0.06 -0.20 0.00 0.61 -2.79 0.00 0.00 177.10 174.78 2x05 n GLY 164 N 4.65 2.15 0.28 1.21 0.00 -0.30 -4.61 105.19 108.56 2x05 n GLY 164 Ca -0.18 -1.46 0.08 0.00 0.00 0.00 0.00 46.02 44.46 2x05 n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x05 h ALA 165 N 0.00 1.96 -0.03 4.61 0.00 -1.32 -2.90 119.26 121.59 2x05 h ALA 165 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2x05 h ALA 165 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2x05 h ALA 165 CO 0.00 0.03 -0.06 0.66 0.00 0.00 0.00 179.25 179.88 2x05 n TYR 166 N -4.51 0.00 -2.36 0.00 4.02 -1.26 -0.99 117.16 112.05 2x05 n TYR 166 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.46 2x05 n TYR 166 Cb 0.12 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.41 2x05 n TYR 166 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2x05 s THR 167 N -1.88 4.03 0.18 -0.72 -4.23 -1.09 -4.51 115.64 107.42 2x05 s THR 167 Ca 0.24 1.38 -0.24 0.00 -1.18 0.00 0.00 61.69 61.89 2x05 s THR 167 Cb 0.18 -3.89 -0.08 0.00 1.34 0.00 0.00 72.50 70.05 2x05 s THR 167 CO 0.30 -0.00 0.77 -0.60 -0.54 0.00 0.00 174.62 174.55 2x05 s ARG 168 N 2.29 4.49 -0.03 3.99 3.52 -1.26 -4.38 118.95 127.57 2x05 s ARG 168 Ca 0.59 1.10 0.03 0.00 -0.13 0.00 0.00 55.73 57.32 2x05 s ARG 168 Cb -0.27 -3.15 -0.00 0.00 -1.56 0.00 0.00 34.95 29.96 2x05 s ARG 168 CO 0.24 0.52 -0.12 -1.01 -0.81 0.00 0.00 175.30 174.12 2x05 s HIS 169 N -1.25 1.16 -0.41 5.12 3.76 0.31 -4.97 115.29 119.01 2x05 s HIS 169 Ca 0.38 -0.29 0.01 0.00 -0.15 0.00 0.00 55.06 55.01 2x05 s HIS 169 Cb -0.21 -0.80 0.14 0.00 1.11 0.00 0.00 32.58 32.82 2x05 s HIS 169 CO 0.25 -0.10 0.24 0.34 -0.85 0.00 0.00 174.74 174.62 2x05 s ASP 170 N 0.06 3.33 -0.28 1.40 2.15 -1.25 -1.23 116.67 120.85 2x05 s ASP 170 Ca -0.02 -2.51 -0.10 0.00 0.43 0.00 0.00 52.55 50.36 2x05 s ASP 170 Cb -0.08 -0.79 -0.03 0.00 -0.30 0.00 0.00 42.92 41.71 2x05 s ASP 170 CO 0.01 -0.28 0.15 -0.76 -0.17 0.00 0.00 175.17 174.12 2x05 s LEU 171 N 0.57 3.89 -0.52 -1.34 1.43 0.99 -4.94 118.68 118.76 2x05 s LEU 171 Ca 0.19 -0.23 -0.28 0.00 -1.03 0.00 0.00 54.13 52.78 2x05 s LEU 171 Cb -0.22 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 43.98 2x05 s LEU 171 CO -0.01 -0.09 1.44 -0.62 0.23 0.00 0.00 176.35 177.30 2x05 s ASP 172 N 1.67 6.15 -0.15 2.29 -1.08 -1.26 -1.05 116.67 123.24 2x05 s ASP 172 Ca 0.06 0.45 0.16 0.00 -0.52 0.00 0.00 52.55 52.70 2x05 s ASP 172 Cb -0.16 -2.54 0.64 0.00 -1.46 0.00 0.00 42.92 39.40 2x05 s ASP 172 CO 0.07 -1.66 1.56 2.30 0.52 0.00 0.00 175.17 177.96 2x05 n ILE 173 N 6.94 2.11 -0.13 4.11 -5.35 -0.21 -4.68 119.36 122.16 2x05 n ILE 173 Ca 0.14 -1.43 -0.04 0.00 -0.27 0.00 0.00 62.75 61.15 2x05 n ILE 173 Cb 0.49 -0.04 0.04 0.00 -1.74 0.00 0.00 39.64 38.38 2x05 n ILE 173 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2x05 h THR 174 N 3.15 0.68 -0.08 7.28 2.02 -1.87 -0.45 112.91 123.64 2x05 h THR 174 Ca 0.00 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.16 2x05 h THR 174 Cb 1.50 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2x05 h THR 174 CO 0.27 0.02 0.20 0.00 0.37 0.00 0.00 175.52 176.38 2x05 h ALA 175 N 1.38 1.44 0.00 6.16 0.00 -1.92 -2.12 119.26 124.19 2x05 h ALA 175 Ca 0.21 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2x05 h ALA 175 Cb 0.31 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2x05 h ALA 175 CO -0.35 -0.24 -1.69 1.04 0.00 0.00 0.00 179.25 178.02 2x05 n GLN 176 N -3.30 0.64 -3.06 0.00 3.00 -0.22 -4.96 117.38 109.49 2x05 n GLN 176 Ca -0.01 -0.06 -0.39 0.00 -0.01 0.00 0.00 57.00 56.53 2x05 n GLN 176 Cb 0.28 -1.63 -0.05 0.00 0.00 0.00 0.00 30.24 28.84 2x05 n GLN 176 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2x05 s VAL 177 N -3.37 4.73 0.35 5.09 1.01 -0.80 -4.83 120.40 122.58 2x05 s VAL 177 Ca -0.06 1.52 0.07 0.00 0.00 0.00 0.00 61.98 63.52 2x05 s VAL 177 Cb 0.12 -4.06 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 2x05 s VAL 177 CO 0.86 0.41 -0.03 -1.38 0.00 0.00 0.00 175.10 174.96 2x05 s HIS 178 N -0.30 2.28 0.21 5.22 -3.43 -1.26 -4.97 115.29 113.04 2x05 s HIS 178 Ca 0.36 -0.66 -0.32 0.00 -0.80 0.00 0.00 55.06 53.64 2x05 s HIS 178 Cb -0.20 -1.43 -0.13 0.00 -1.43 0.00 0.00 32.58 29.39 2x05 s HIS 178 CO 0.22 0.40 1.61 2.41 -2.00 0.00 0.00 174.74 177.37 2x05 n THR 179 N -0.79 0.30 0.00 -5.38 -1.04 -1.26 -4.75 114.28 101.36 2x05 n THR 179 Ca -0.05 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2x05 n THR 179 Cb 0.65 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.40 2x05 n THR 179 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2x05 n GLY 180 N 3.23 1.03 3.63 3.41 0.00 -0.04 -4.93 105.19 111.51 2x05 n GLY 180 Ca 0.14 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 2x05 n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x05 s VAL 181 N 0.00 4.27 0.34 1.61 1.01 -1.26 -0.79 120.40 125.58 2x05 s VAL 181 Ca 0.00 1.42 0.09 0.00 0.00 0.00 0.00 61.98 63.49 2x05 s VAL 181 Cb 0.00 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 2x05 s VAL 181 CO 0.00 -0.57 0.08 0.20 0.00 0.00 0.00 175.10 174.81 2x05 s ASN 182 N 2.38 4.46 -0.01 3.32 0.01 0.21 -4.88 114.94 120.43 2x05 s ASN 182 Ca 0.51 -0.86 0.02 0.00 -0.71 0.00 0.00 52.86 51.82 2x05 s ASN 182 Cb -0.13 -0.65 -0.00 0.00 0.41 0.00 0.00 41.25 40.87 2x05 s ASN 182 CO 0.22 -0.26 -0.07 -0.44 -1.51 0.00 0.00 177.10 175.04 2x05 s SER 183 N -3.78 0.91 0.02 -1.22 0.01 -1.26 -0.21 113.70 108.16 2x05 s SER 183 Ca 0.36 -0.14 0.07 0.00 1.31 0.00 0.00 55.95 57.56 2x05 s SER 183 Cb -0.02 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 2x05 s SER 183 CO 0.21 0.08 -0.22 -0.69 0.41 0.00 0.00 173.24 173.02 2x05 s VAL 184 N -0.05 1.80 -0.06 3.43 1.01 0.29 -1.88 120.40 124.94 2x05 s VAL 184 Ca 0.01 -1.12 -0.03 0.00 0.00 0.00 0.00 61.98 60.84 2x05 s VAL 184 Cb -0.04 -1.52 0.03 0.00 0.00 0.00 0.00 36.38 34.84 2x05 s VAL 184 CO -0.00 0.37 0.14 0.00 0.00 0.00 0.00 175.10 175.61 2x05 s ALA 185 N -0.67 -0.26 -0.15 5.51 0.00 -0.53 -1.50 121.76 124.16 2x05 s ALA 185 Ca 0.09 0.59 -0.05 0.00 0.00 0.00 0.00 51.96 52.59 2x05 s ALA 185 Cb -0.09 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 2x05 s ALA 185 CO 0.01 -0.13 0.01 -0.06 0.00 0.00 0.00 175.76 175.59 2x05 s PHE 186 N 0.91 3.15 -0.50 0.00 0.08 0.24 -0.21 117.98 121.66 2x05 s PHE 186 Ca -0.07 -0.03 -0.15 0.00 0.12 0.00 0.00 56.93 56.80 2x05 s PHE 186 Cb -0.09 -1.97 0.10 0.00 -0.57 0.00 0.00 43.02 40.49 2x05 s PHE 186 CO -0.04 0.16 0.43 0.21 -0.10 0.00 0.00 175.22 175.87 2x05 s LYS 187 N 0.07 2.93 -0.26 0.44 2.20 0.16 -0.71 119.74 124.56 2x05 s LYS 187 Ca 0.03 -1.52 -0.16 0.00 -0.36 0.00 0.00 55.97 53.96 2x05 s LYS 187 Cb -0.13 -4.17 -0.03 0.00 -1.51 0.00 0.00 37.83 31.99 2x05 s LYS 187 CO 0.02 -1.15 0.44 0.08 -0.36 0.00 0.00 175.35 174.38 2x05 s VAL 188 N 1.60 5.13 0.37 4.02 1.01 0.71 -2.63 120.40 130.61 2x05 s VAL 188 Ca 0.04 0.71 -0.24 0.00 0.00 0.00 0.00 61.98 62.49 2x05 s VAL 188 Cb -0.27 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 2x05 s VAL 188 CO 0.05 0.13 0.95 -0.31 0.00 0.00 0.00 175.10 175.91 2x05 s TYR 189 N 2.15 3.53 0.66 5.22 2.02 -0.46 -0.78 117.35 129.69 2x05 s TYR 189 Ca 0.18 1.71 -0.17 0.00 -0.37 0.00 0.00 57.07 58.41 2x05 s TYR 189 Cb -0.16 -2.89 -0.06 0.00 -0.40 0.00 0.00 41.96 38.46 2x05 s TYR 189 CO 0.09 0.07 0.53 -2.30 -1.57 0.00 0.00 175.55 172.38 2x05 n PRO 190 N 0.04 0.40 -4.37 -1.71 -0.02 -1.26 -2.01 135.00 126.07 2x05 n PRO 190 Ca 0.04 0.17 -0.34 0.00 -2.02 0.00 0.00 63.50 61.35 2x05 n PRO 190 Cb 0.52 -1.78 -0.12 0.00 -0.02 0.00 0.00 33.50 32.10 2x05 n PRO 190 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2x05 s ASN 191 N -1.34 4.88 -0.23 2.55 2.47 -1.26 -4.15 114.94 117.85 2x05 s ASN 191 Ca 0.67 -0.10 -0.00 0.00 0.42 0.00 0.00 52.86 53.84 2x05 s ASN 191 Cb -0.39 -1.79 0.06 0.00 -1.45 0.00 0.00 41.25 37.69 2x05 s ASN 191 CO 0.56 0.18 -0.02 -0.62 -3.72 0.00 0.00 177.10 173.48 2x05 s ASP 192 N 0.32 3.64 0.29 -4.21 -1.08 -1.26 -4.80 116.67 109.56 2x05 s ASP 192 Ca -0.03 -1.14 0.23 0.00 -0.52 0.00 0.00 52.55 51.09 2x05 s ASP 192 Cb -0.14 -1.01 1.06 0.00 -1.46 0.00 0.00 42.92 41.37 2x05 s ASP 192 CO 0.03 -0.27 1.69 -0.81 0.52 0.00 0.00 175.17 176.33 2x05 n PRO 193 N 4.77 0.18 0.14 4.34 -0.04 -1.26 0.36 135.00 143.48 2x05 n PRO 193 Ca -0.10 0.51 0.06 0.00 -0.04 0.00 0.00 63.50 63.93 2x05 n PRO 193 Cb 0.45 -1.91 0.04 0.00 -0.04 0.00 0.00 33.50 32.03 2x05 n PRO 193 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2x05 h ASN 194 N 0.00 0.00 0.00 3.54 -0.26 -1.92 -0.33 115.58 116.61 2x05 h ASN 194 Ca 0.00 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.59 2x05 h ASN 194 Cb 0.22 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.45 2x05 h ASN 194 CO 0.00 0.31 -1.66 -1.14 -1.06 0.00 0.00 177.43 173.88 2x05 n ARG 195 N -3.06 2.01 -4.24 0.81 0.63 -0.65 -0.83 116.66 111.34 2x05 n ARG 195 Ca 0.00 -0.02 -0.35 0.00 -0.92 0.00 0.00 57.85 56.56 2x05 n ARG 195 Cb 0.67 -1.26 -0.09 0.00 0.45 0.00 0.00 32.46 32.24 2x05 n ARG 195 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2x05 s ASP 196 N -4.07 5.50 -0.98 6.15 1.01 0.16 -4.95 116.67 119.47 2x05 s ASP 196 Ca -0.05 0.20 -0.23 0.00 0.71 0.00 0.00 52.55 53.17 2x05 s ASP 196 Cb 0.04 -1.66 0.02 0.00 1.01 0.00 0.00 42.92 42.33 2x05 s ASP 196 CO 0.42 0.36 1.62 -0.76 0.21 0.00 0.00 175.17 177.02 2x05 s LEU 197 N -0.74 3.39 0.00 1.23 1.43 -1.26 -4.55 118.68 118.17 2x05 s LEU 197 Ca 0.12 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 2x05 s LEU 197 Cb -0.12 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.54 2x05 s LEU 197 CO 0.02 -1.92 0.00 -0.24 0.23 0.00 0.00 176.35 174.44 2x05 n SER 198 N 10.60 2.35 -3.88 2.29 2.88 -1.26 -1.83 113.62 124.77 2x05 n SER 198 Ca 0.36 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.75 2x05 n SER 198 Cb 0.50 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.81 2x05 n SER 198 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2x05 s MET 199 N 4.88 0.21 0.14 -1.46 -1.94 -1.26 -4.86 119.30 115.01 2x05 s MET 199 Ca 0.00 -0.03 -0.05 0.00 -1.71 0.00 0.00 55.69 53.91 2x05 s MET 199 Cb 0.00 -0.27 -0.03 0.00 2.01 0.00 0.00 34.83 36.55 2x05 s MET 199 CO 0.00 -0.01 0.16 0.20 -0.01 0.00 0.00 175.02 175.36 2x05 s GLY 200 N 0.28 0.75 -0.18 -0.03 0.00 -1.26 -4.62 107.32 102.26 2x05 s GLY 200 Ca -0.03 -1.20 0.16 0.00 0.00 0.00 0.00 44.72 43.65 2x05 s GLY 200 CO -0.01 -1.13 1.68 0.79 0.00 0.00 0.00 173.10 174.43 2x05 n TRP 201 N -0.14 1.75 0.00 1.90 7.02 -1.26 -4.97 117.44 121.73 2x05 n TRP 201 Ca -0.06 -0.69 0.00 0.00 -1.02 0.00 0.00 57.50 55.73 2x05 n TRP 201 Cb 0.63 -0.38 0.00 0.00 -2.42 0.00 0.00 31.31 29.14 2x05 n TRP 201 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 2x05 n ILE 202 N 0.76 0.00 -1.59 -0.99 5.41 -1.26 -0.67 119.36 121.02 2x05 n ILE 202 Ca 0.26 0.00 0.06 0.00 1.00 0.00 0.00 62.75 64.08 2x05 n ILE 202 Cb 1.04 0.00 0.15 0.00 -0.71 0.00 0.00 39.64 40.12 2x05 n ILE 202 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2x05 n ASP 203 N 4.18 1.68 0.11 4.38 5.68 -1.26 -4.85 116.55 126.46 2x05 n ASP 203 Ca 0.00 -3.28 -0.04 0.00 -0.50 0.00 0.00 54.79 50.97 2x05 n ASP 203 Cb 0.00 -0.45 0.10 0.00 -1.14 0.00 0.00 41.12 39.63 2x05 n ASP 203 CO 0.00 0.00 0.00 -0.50 -1.33 0.00 0.00 177.20 175.37 2x05 h TRP 204 N 0.64 0.11 0.00 2.11 4.06 -1.26 -3.42 115.95 118.18 2x05 h TRP 204 Ca -0.03 -0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.87 2x05 h TRP 204 Cb 1.15 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.29 2x05 h TRP 204 CO 0.42 0.75 0.00 0.00 -3.56 0.00 0.00 178.44 176.04 2x05 n ALA 205 N -2.43 0.00 -2.95 1.49 0.00 -1.26 -4.81 120.51 110.55 2x05 n ALA 205 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 2x05 n ALA 205 Cb 0.68 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.05 2x05 n ALA 205 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2x05 s GLN 206 N 3.01 0.77 -0.08 0.00 -1.52 -1.26 -1.42 119.66 119.16 2x05 s GLN 206 Ca 0.00 -0.56 -0.30 0.00 -1.95 0.00 0.00 55.36 52.56 2x05 s GLN 206 Cb 0.00 0.33 -0.03 0.00 -0.22 0.00 0.00 33.01 33.09 2x05 s GLN 206 CO 0.00 -0.24 1.26 0.99 -0.25 0.00 0.00 175.29 177.06 2x05 s THR 207 N -2.58 4.16 0.19 -0.19 2.01 -1.26 -4.96 115.64 113.01 2x05 s THR 207 Ca -0.05 1.47 -0.33 0.00 0.31 0.00 0.00 61.69 63.09 2x05 s THR 207 Cb -0.01 -3.94 -0.14 0.00 0.01 0.00 0.00 72.50 68.42 2x05 s THR 207 CO -0.04 -0.04 1.48 -2.65 -0.69 0.00 0.00 174.62 172.68 2x05 n PRO 208 N 5.70 2.03 -0.30 4.92 -0.02 -1.26 -4.87 135.00 141.20 2x05 n PRO 208 Ca 0.12 0.73 0.24 0.00 -2.02 0.00 0.00 63.50 62.57 2x05 n PRO 208 Cb 0.45 -2.43 0.56 0.00 -0.02 0.00 0.00 33.50 32.06 2x05 n PRO 208 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2x05 h PRO 209 N 5.05 0.31 -0.55 0.52 0.11 -1.93 0.57 132.00 136.07 2x05 h PRO 209 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2x05 h PRO 209 Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2x05 h PRO 209 CO 0.82 0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 178.41 2x05 n ASP 210 N -4.52 3.72 -4.39 -2.05 5.75 -1.26 -4.80 116.55 108.99 2x05 n ASP 210 Ca 0.24 -2.00 -0.36 0.00 -0.01 0.00 0.00 54.79 52.66 2x05 n ASP 210 Cb 0.90 -0.36 -0.09 0.00 -1.03 0.00 0.00 41.12 40.54 2x05 n ASP 210 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2x05 n GLN 211 N 1.58 -1.00 -1.59 0.11 6.02 0.19 -1.97 117.38 120.72 2x05 n GLN 211 Ca 0.22 0.13 -0.20 0.00 -0.01 0.00 0.00 57.00 57.13 2x05 n GLN 211 Cb 0.62 -4.09 -0.09 0.00 1.02 0.00 0.00 30.24 27.70 2x05 n GLN 211 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2x05 n ASN 212 N -2.72 -5.47 -4.75 1.08 3.02 -1.26 -4.56 115.26 100.58 2x05 n ASN 212 Ca -0.15 0.50 -0.42 0.00 -0.03 0.00 0.00 54.58 54.49 2x05 n ASN 212 Cb 0.60 -4.76 -0.01 0.00 -0.61 0.00 0.00 39.78 35.00 2x05 n ASN 212 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 2x05 n MET 213 N -2.37 2.67 -0.20 3.52 0.00 -0.83 -4.75 117.12 115.16 2x05 n MET 213 Ca -0.20 0.95 0.00 0.00 0.00 0.00 0.00 57.70 58.44 2x05 n MET 213 Cb 0.67 -2.70 0.00 0.00 0.00 0.00 0.00 33.22 31.19 2x05 n MET 213 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2x05 n GLY 214 N 1.47 0.41 2.72 3.17 0.00 -0.24 -0.71 105.19 112.02 2x05 n GLY 214 Ca 0.06 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 2x05 n GLY 214 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x05 s ILE 215 N -3.82 0.64 -2.77 -0.61 1.01 -1.09 -1.31 121.20 113.25 2x05 s ILE 215 Ca 0.00 -0.96 0.24 0.00 0.00 0.00 0.00 60.65 59.93 2x05 s ILE 215 Cb 0.00 -1.32 0.30 0.00 0.01 0.00 0.00 42.46 41.45 2x05 s ILE 215 CO 0.00 -0.46 1.33 1.33 0.00 0.00 0.00 174.94 177.14 2x05 n VAL 216 N 4.97 0.23 -4.44 2.92 0.24 0.16 -2.70 118.33 119.72 2x05 n VAL 216 Ca -0.06 -0.61 -0.22 0.00 -2.04 0.00 0.00 64.34 61.41 2x05 n VAL 216 Cb 0.44 1.27 -0.09 0.00 -1.47 0.00 0.00 33.84 33.99 2x05 n VAL 216 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2x05 s ARG 217 N -1.77 1.71 0.50 7.34 0.52 -1.26 -4.68 118.95 121.31 2x05 s ARG 217 Ca 0.33 -1.99 -0.20 0.00 -0.52 0.00 0.00 55.73 53.35 2x05 s ARG 217 Cb 0.21 -0.59 -0.08 0.00 0.52 0.00 0.00 34.95 35.02 2x05 s ARG 217 CO 0.31 -0.34 1.08 -0.51 0.02 0.00 0.00 175.30 175.85 2x05 s ASP 218 N -3.49 6.14 -0.22 0.23 1.01 -1.26 -4.32 116.67 114.75 2x05 s ASP 218 Ca 0.32 2.04 -0.08 0.00 0.71 0.00 0.00 52.55 55.53 2x05 s ASP 218 Cb 0.06 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 2x05 s ASP 218 CO 0.15 -0.92 0.10 -0.69 0.21 0.00 0.00 175.17 174.01 2x05 s VAL 219 N -1.87 4.82 -0.15 -1.27 1.01 -1.26 -4.11 120.40 117.56 2x05 s VAL 219 Ca 0.69 -0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.57 2x05 s VAL 219 Cb -0.20 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2x05 s VAL 219 CO 0.23 0.38 0.14 -0.76 0.00 0.00 0.00 175.10 175.09 2x05 s LEU 220 N 1.03 4.32 -0.32 3.92 1.43 0.11 -0.89 118.68 128.28 2x05 s LEU 220 Ca 0.05 0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 53.38 2x05 s LEU 220 Cb -0.14 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 2x05 s LEU 220 CO 0.03 0.32 0.40 -0.69 0.23 0.00 0.00 176.35 176.65 2x05 s VAL 221 N -0.51 5.13 -0.10 -1.59 1.01 0.18 -1.58 120.40 122.95 2x05 s VAL 221 Ca 0.13 0.29 -0.05 0.00 0.00 0.00 0.00 61.98 62.35 2x05 s VAL 221 Cb -0.12 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2x05 s VAL 221 CO 0.02 -0.04 0.08 -0.13 0.00 0.00 0.00 175.10 175.03 2x05 s ARG 222 N 2.12 3.24 -0.08 2.72 0.52 0.50 -1.86 118.95 126.12 2x05 s ARG 222 Ca 0.14 -0.26 0.03 0.00 -0.52 0.00 0.00 55.73 55.13 2x05 s ARG 222 Cb -0.16 -3.01 0.01 0.00 0.52 0.00 0.00 34.95 32.30 2x05 s ARG 222 CO 0.11 0.74 -0.17 1.03 0.02 0.00 0.00 175.30 177.03 2x05 s ARG 223 N -1.01 2.23 0.31 3.54 1.81 -1.18 -0.84 118.95 123.81 2x05 s ARG 223 Ca 0.15 -0.62 -0.05 0.00 -1.72 0.00 0.00 55.73 53.49 2x05 s ARG 223 Cb -0.12 -1.77 -0.00 0.00 -0.45 0.00 0.00 34.95 32.61 2x05 s ARG 223 CO 0.04 0.11 0.45 -1.54 -0.68 0.00 0.00 175.30 173.68 2x05 s SER 224 N 0.47 0.58 0.00 0.23 1.04 -1.17 -1.22 113.70 113.63 2x05 s SER 224 Ca -0.15 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 54.95 2x05 s SER 224 Cb -0.16 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2x05 s SER 224 CO 0.06 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.66 2x05 n GLY 225 N -0.49 1.35 0.37 7.32 0.00 0.26 -0.75 105.19 113.25 2x05 n GLY 225 Ca 0.00 -1.61 0.08 0.00 0.00 0.00 0.00 46.02 44.50 2x05 n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x05 h ALA 226 N -1.55 1.60 -3.21 4.61 0.00 -1.90 -3.40 119.26 115.40 2x05 h ALA 226 Ca 0.00 0.02 -0.63 0.00 0.00 0.00 0.00 54.91 54.30 2x05 h ALA 226 Cb 0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 17.79 17.45 2x05 h ALA 226 CO 0.00 0.15 -0.57 0.08 0.00 0.00 0.00 179.25 178.92 2x05 s VAL 227 N -5.89 4.75 -0.15 0.00 1.01 -1.26 -1.42 120.40 117.43 2x05 s VAL 227 Ca -0.11 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 2x05 s VAL 227 Cb 0.22 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 2x05 s VAL 227 CO 0.80 0.51 0.15 0.00 0.00 0.00 0.00 175.10 176.56 2x05 s ALA 228 N -0.02 3.78 -0.19 5.51 0.00 0.56 -4.15 121.76 127.25 2x05 s ALA 228 Ca 0.06 -0.64 -0.09 0.00 0.00 0.00 0.00 51.96 51.29 2x05 s ALA 228 Cb -0.12 -2.09 -0.05 0.00 0.00 0.00 0.00 23.12 20.86 2x05 s ALA 228 CO 0.01 0.40 0.12 -1.17 0.00 0.00 0.00 175.76 175.12 2x05 s LEU 229 N -0.38 4.18 0.05 0.00 2.96 -1.26 -1.05 118.68 123.18 2x05 s LEU 229 Ca 0.12 0.23 -0.10 0.00 -0.22 0.00 0.00 54.13 54.16 2x05 s LEU 229 Cb -0.12 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.51 2x05 s LEU 229 CO 0.02 0.20 0.21 -0.60 -1.32 0.00 0.00 176.35 174.86 2x05 s ARG 230 N 0.25 0.73 -1.35 1.98 3.52 0.12 -4.93 118.95 119.28 2x05 s ARG 230 Ca 0.08 -0.65 -0.00 0.00 -0.13 0.00 0.00 55.73 55.03 2x05 s ARG 230 Cb -0.11 0.31 -0.00 0.00 -1.56 0.00 0.00 34.95 33.58 2x05 s ARG 230 CO -0.01 -0.22 0.57 0.45 -0.81 0.00 0.00 175.30 175.27 2x05 n SER 231 N 0.57 -0.84 -4.74 -2.12 2.88 -1.26 0.24 113.62 108.36 2x05 n SER 231 Ca -0.18 -0.91 -0.40 0.00 -1.33 0.00 0.00 58.87 56.04 2x05 n SER 231 Cb 0.59 -3.57 -0.05 0.00 -0.75 0.00 0.00 64.21 60.44 2x05 n SER 231 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2x05 s ALA 232 N -3.81 3.31 0.30 -1.46 0.00 -1.26 -3.99 121.76 114.85 2x05 s ALA 232 Ca 0.01 0.40 -0.18 0.00 0.00 0.00 0.00 51.96 52.19 2x05 s ALA 232 Cb -0.00 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 20.02 2x05 s ALA 232 CO 0.85 0.01 0.69 -3.38 0.00 0.00 0.00 175.76 173.93 2x05 s HIS 233 N 0.03 -0.01 -0.17 0.00 -3.43 0.26 -4.99 115.29 106.98 2x05 s HIS 233 Ca 0.42 -0.47 0.00 0.00 -0.80 0.00 0.00 55.06 54.22 2x05 s HIS 233 Cb -0.22 0.63 0.03 0.00 -1.43 0.00 0.00 32.58 31.60 2x05 s HIS 233 CO 0.26 -1.26 -0.11 0.08 -2.00 0.00 0.00 174.74 171.70 2x05 s VAL 234 N -3.60 1.53 0.06 -5.38 1.01 -1.26 -1.34 120.40 111.41 2x05 s VAL 234 Ca 0.14 -0.78 -0.31 0.00 0.00 0.00 0.00 61.98 61.03 2x05 s VAL 234 Cb -0.05 -1.54 -0.06 0.00 0.00 0.00 0.00 36.38 34.72 2x05 s VAL 234 CO 0.09 0.29 1.34 -0.63 0.00 0.00 0.00 175.10 176.19 2x05 s ILE 235 N 1.47 3.64 -0.11 2.22 1.01 -0.16 -4.89 121.20 124.38 2x05 s ILE 235 Ca 0.02 1.13 0.00 0.00 0.00 0.00 0.00 60.65 61.80 2x05 s ILE 235 Cb -0.15 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 38.62 2x05 s ILE 235 CO -0.09 0.05 -0.09 -1.58 0.00 0.00 0.00 174.94 173.23 2x05 s GLN 236 N 1.56 1.67 -0.11 2.79 -0.44 -1.26 -0.27 119.66 123.60 2x05 s GLN 236 Ca 0.63 -0.32 0.01 0.00 -2.50 0.00 0.00 55.36 53.17 2x05 s GLN 236 Cb -0.33 -1.63 0.02 0.00 -1.64 0.00 0.00 33.01 29.43 2x05 s GLN 236 CO 0.28 -0.21 -0.13 0.21 0.50 0.00 0.00 175.29 175.94 2x05 s LYS 237 N 1.51 2.06 -0.09 1.67 2.47 0.58 -4.94 119.74 123.00 2x05 s LYS 237 Ca 0.02 -0.49 -0.01 0.00 -1.56 0.00 0.00 55.97 53.92 2x05 s LYS 237 Cb -0.13 -1.84 -0.03 0.00 -1.46 0.00 0.00 37.83 34.37 2x05 s LYS 237 CO -0.07 -0.13 -0.01 -1.17 0.16 0.00 0.00 175.35 174.13 2x05 s LEU 238 N 1.21 3.51 0.70 5.43 2.96 -1.26 0.11 118.68 131.33 2x05 s LEU 238 Ca -0.03 0.11 -0.11 0.00 -0.22 0.00 0.00 54.13 53.88 2x05 s LEU 238 Cb -0.14 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.76 2x05 s LEU 238 CO -0.04 0.37 1.07 0.54 -1.32 0.00 0.00 176.35 176.96 2x05 s ASN 239 N -0.83 5.45 0.49 3.68 4.22 -0.07 -4.95 114.94 122.93 2x05 s ASN 239 Ca 0.13 1.36 0.25 0.00 -2.14 0.00 0.00 52.86 52.46 2x05 s ASN 239 Cb -0.11 -2.24 1.26 0.00 1.28 0.00 0.00 41.25 41.44 2x05 s ASN 239 CO 0.02 -1.37 2.00 0.77 -2.04 0.00 0.00 177.10 176.48 2x05 h SER 240 N -0.67 0.00 0.58 3.54 4.64 -1.99 -0.85 113.55 118.79 2x05 h SER 240 Ca -0.45 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 2x05 h SER 240 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2x05 h SER 240 CO 0.61 0.17 -0.12 0.00 -0.87 0.00 0.00 176.83 176.61 2x05 h ALA 241 N 1.83 1.15 -0.66 5.18 0.00 -1.95 -3.47 119.26 121.35 2x05 h ALA 241 Ca -0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2x05 h ALA 241 Cb 0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2x05 h ALA 241 CO 0.02 0.16 -0.14 1.28 0.00 0.00 0.00 179.25 180.57 2x05 n LEU 242 N -3.45 -0.98 0.00 0.00 4.77 -0.33 -4.92 117.00 112.09 2x05 n LEU 242 Ca -0.01 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2x05 n LEU 242 Cb 0.29 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 2x05 n LEU 242 CO 0.30 -0.15 0.13 -0.90 -1.33 0.00 0.00 177.39 175.43 2x05 n ASP 243 N 0.91 0.51 -4.02 -1.43 5.75 -1.26 -4.68 116.55 112.32 2x05 n ASP 243 Ca -0.07 -0.82 -0.19 0.00 -0.01 0.00 0.00 54.79 53.71 2x05 n ASP 243 Cb 0.43 0.20 -0.15 0.00 -1.03 0.00 0.00 41.12 40.57 2x05 n ASP 243 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2x05 s HIS 244 N -0.20 0.84 0.04 2.11 5.04 -1.26 -0.20 115.29 121.67 2x05 s HIS 244 Ca 0.00 -0.17 0.07 0.00 -1.54 0.00 0.00 55.06 53.42 2x05 s HIS 244 Cb 0.00 -0.55 -0.02 0.00 0.04 0.00 0.00 32.58 32.04 2x05 s HIS 244 CO 0.00 -0.03 -0.19 0.00 -2.34 0.00 0.00 174.74 172.18 2x05 s ALA 245 N -0.16 1.63 -0.08 1.58 0.00 -0.53 -0.89 121.76 123.31 2x05 s ALA 245 Ca 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2x05 s ALA 245 Cb -0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2x05 s ALA 245 CO -0.00 0.35 -0.08 -0.51 0.00 0.00 0.00 175.76 175.52 2x05 s ASP 246 N -1.20 4.54 -0.19 0.00 1.01 0.31 -1.41 116.67 119.73 2x05 s ASP 246 Ca 0.06 -0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.24 2x05 s ASP 246 Cb -0.09 -1.27 0.05 0.00 1.01 0.00 0.00 42.92 42.62 2x05 s ASP 246 CO 0.02 0.31 -0.07 -0.76 0.21 0.00 0.00 175.17 174.88 2x05 s LEU 247 N -0.52 2.06 -0.41 1.23 1.02 -0.11 -0.31 118.68 121.65 2x05 s LEU 247 Ca 0.08 -0.87 -0.07 0.00 0.02 0.00 0.00 54.13 53.28 2x05 s LEU 247 Cb -0.12 -1.08 0.09 0.00 0.02 0.00 0.00 46.19 45.10 2x05 s LEU 247 CO 0.02 -0.19 0.23 -0.89 0.02 0.00 0.00 176.35 175.55 2x05 s THR 248 N 1.50 3.90 0.03 5.49 2.01 0.63 -1.46 115.64 127.74 2x05 s THR 248 Ca -0.02 -1.59 -0.29 0.00 0.31 0.00 0.00 61.69 60.10 2x05 s THR 248 Cb -0.16 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 2x05 s THR 248 CO -0.08 -0.55 0.95 -0.69 -0.69 0.00 0.00 174.62 173.57 2x05 s VAL 249 N 1.34 4.77 -0.03 3.82 1.01 -1.26 -0.99 120.40 129.05 2x05 s VAL 249 Ca 0.04 2.01 0.03 0.00 0.00 0.00 0.00 61.98 64.06 2x05 s VAL 249 Cb -0.23 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 31.85 2x05 s VAL 249 CO 0.00 0.22 -0.13 -0.54 0.00 0.00 0.00 175.10 174.65 2x05 s LYS 250 N 0.67 1.30 -0.13 2.72 1.02 -0.45 -0.29 119.74 124.57 2x05 s LYS 250 Ca 0.49 -0.45 -0.12 0.00 0.02 0.00 0.00 55.97 55.91 2x05 s LYS 250 Cb -0.21 -1.18 0.04 0.00 -0.52 0.00 0.00 37.83 35.95 2x05 s LYS 250 CO 0.28 0.19 0.35 0.00 -0.92 0.00 0.00 175.35 175.25 2x05 s ALA 251 N 0.05 -0.87 0.14 5.17 0.00 -0.46 -0.58 121.76 125.22 2x05 s ALA 251 Ca -0.02 1.03 -0.18 0.00 0.00 0.00 0.00 51.96 52.79 2x05 s ALA 251 Cb -0.09 -0.60 -0.07 0.00 0.00 0.00 0.00 23.12 22.35 2x05 s ALA 251 CO 0.01 -0.17 0.61 -0.51 0.00 0.00 0.00 175.76 175.70 2x05 s ASP 252 N 0.33 6.99 -0.04 0.00 1.11 0.14 -0.59 116.67 124.61 2x05 s ASP 252 Ca -0.01 1.26 0.03 0.00 0.18 0.00 0.00 52.55 54.01 2x05 s ASP 252 Cb -0.03 -2.36 0.00 0.00 1.07 0.00 0.00 42.92 41.60 2x05 s ASP 252 CO -0.01 0.15 -0.14 0.68 1.18 0.00 0.00 175.17 177.03 2x05 s VAL 253 N -1.34 1.20 -0.17 -1.27 -7.23 0.85 -0.70 120.40 111.74 2x05 s VAL 253 Ca 0.36 -0.57 -0.00 0.00 -1.81 0.00 0.00 61.98 59.96 2x05 s VAL 253 Cb -0.17 -1.05 0.04 0.00 0.56 0.00 0.00 36.38 35.75 2x05 s VAL 253 CO 0.20 0.36 -0.06 -0.60 -0.31 0.00 0.00 175.10 174.68 2x05 s ARG 254 N 0.23 1.56 -0.78 4.82 3.52 -0.21 -0.95 118.95 127.14 2x05 s ARG 254 Ca -0.06 -0.56 -0.26 0.00 -0.13 0.00 0.00 55.73 54.71 2x05 s ARG 254 Cb -0.12 -2.06 0.03 0.00 -1.56 0.00 0.00 34.95 31.23 2x05 s ARG 254 CO 0.02 -0.42 1.39 1.21 -0.81 0.00 0.00 175.30 176.70 2x05 s ASN 255 N 1.59 6.10 0.00 -2.12 2.47 -0.37 -0.32 114.94 122.28 2x05 s ASN 255 Ca 0.01 -0.56 0.25 0.00 0.42 0.00 0.00 52.86 52.98 2x05 s ASN 255 Cb -0.15 -2.56 1.01 0.00 -1.45 0.00 0.00 41.25 38.10 2x05 s ASN 255 CO -0.08 -1.86 1.71 0.47 -3.72 0.00 0.00 177.10 173.62 2x05 n ASP 256 N 9.78 1.38 -4.74 -4.21 8.00 -0.51 -0.07 116.55 126.19 2x05 n ASP 256 Ca 0.12 -1.53 -0.26 0.00 0.71 0.00 0.00 54.79 53.82 2x05 n ASP 256 Cb 0.50 -0.04 0.10 0.00 -0.02 0.00 0.00 41.12 41.66 2x05 n ASP 256 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2x05 s SER 257 N -1.83 4.41 0.51 -2.24 1.04 -1.22 -4.84 113.70 109.52 2x05 s SER 257 Ca 0.36 0.30 0.30 0.00 0.48 0.00 0.00 55.95 57.39 2x05 s SER 257 Cb 0.19 -0.79 1.07 0.00 0.10 0.00 0.00 66.02 66.60 2x05 s SER 257 CO 0.31 -1.86 1.88 0.00 0.98 0.00 0.00 173.24 174.54 2x05 h ALA 258 N -0.80 1.00 -3.27 5.32 0.00 -1.96 -3.33 119.26 116.22 2x05 h ALA 258 Ca -0.43 -0.04 -0.66 0.00 0.00 0.00 0.00 54.91 53.78 2x05 h ALA 258 Cb 1.29 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.89 2x05 h ALA 258 CO 0.53 0.05 -0.83 -0.80 0.00 0.00 0.00 179.25 178.20 2x05 s ASN 259 N -5.88 3.44 0.35 0.00 -0.87 -1.26 -4.72 114.94 106.00 2x05 s ASN 259 Ca 0.02 -0.85 -0.28 0.00 -1.57 0.00 0.00 52.86 50.18 2x05 s ASN 259 Cb 0.08 -0.26 -0.12 0.00 -0.02 0.00 0.00 41.25 40.94 2x05 s ASN 259 CO 0.59 0.13 1.42 0.00 -2.57 0.00 0.00 177.10 176.66 2x05 n ALA 260 N 0.34 1.93 -2.33 0.60 0.00 -1.26 -4.31 120.51 115.48 2x05 n ALA 260 Ca -0.13 0.35 -0.17 0.00 0.00 0.00 0.00 53.44 53.49 2x05 n ALA 260 Cb 0.56 -2.35 -0.10 0.00 0.00 0.00 0.00 19.45 17.55 2x05 n ALA 260 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2x05 s VAL 261 N -1.00 1.34 -0.12 0.00 -7.23 0.53 -4.96 120.40 108.95 2x05 s VAL 261 Ca 0.55 -2.10 -0.05 0.00 -1.81 0.00 0.00 61.98 58.58 2x05 s VAL 261 Cb -0.52 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 2x05 s VAL 261 CO 0.62 -0.48 0.06 -1.10 -0.31 0.00 0.00 175.10 173.89 2x05 s GLN 262 N -3.76 3.36 0.01 4.82 -0.21 -1.26 -0.01 119.66 122.60 2x05 s GLN 262 Ca 0.24 -0.29 0.03 0.00 0.02 0.00 0.00 55.36 55.36 2x05 s GLN 262 Cb 0.03 -3.03 -0.01 0.00 1.00 0.00 0.00 33.01 31.01 2x05 s GLN 262 CO 0.07 0.64 -0.08 -0.08 -2.12 0.00 0.00 175.29 173.71 2x05 s THR 263 N -0.67 0.66 -0.22 -0.19 -1.32 0.38 -4.44 115.64 109.82 2x05 s THR 263 Ca 0.12 -0.53 -0.05 0.00 -1.21 0.00 0.00 61.69 60.02 2x05 s THR 263 Cb -0.12 -0.58 -0.01 0.00 -1.51 0.00 0.00 72.50 70.27 2x05 s THR 263 CO 0.02 0.06 -0.02 -0.89 -2.21 0.00 0.00 174.62 171.59 2x05 s THR 264 N -0.45 3.57 -0.40 5.08 2.01 -0.39 -0.81 115.64 124.25 2x05 s THR 264 Ca 0.01 -0.43 -0.15 0.00 0.31 0.00 0.00 61.69 61.43 2x05 s THR 264 Cb -0.05 -2.63 0.02 0.00 0.01 0.00 0.00 72.50 69.85 2x05 s THR 264 CO 0.00 0.41 0.32 -0.69 -0.69 0.00 0.00 174.62 173.96 2x05 s VAL 265 N 1.48 5.23 0.05 3.82 1.01 1.00 -0.88 120.40 132.10 2x05 s VAL 265 Ca 0.06 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 2x05 s VAL 265 Cb -0.14 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2x05 s VAL 265 CO -0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 175.10 174.76 2x05 s ALA 266 N 1.76 0.45 0.00 5.51 0.00 -0.12 -1.16 121.76 128.19 2x05 s ALA 266 Ca 0.06 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2x05 s ALA 266 Cb -0.19 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.19 2x05 s ALA 266 CO 0.11 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.94 2x05 n GLY 267 N 0.34 -0.18 3.21 0.00 0.00 -0.48 -0.70 105.19 107.38 2x05 n GLY 267 Ca -0.16 -0.84 -0.19 0.00 0.00 0.00 0.00 46.02 44.83 2x05 n GLY 267 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x05 s THR 268 N -4.00 1.29 -0.07 2.61 -4.23 0.40 -0.48 115.64 111.15 2x05 s THR 268 Ca 0.00 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 2x05 s THR 268 Cb 0.00 -1.28 0.02 0.00 1.34 0.00 0.00 72.50 72.58 2x05 s THR 268 CO 0.00 -0.24 -0.05 0.54 -0.54 0.00 0.00 174.62 174.34 2x05 s VAL 269 N -1.46 0.67 -1.49 2.29 0.11 -0.14 -1.25 120.40 119.13 2x05 s VAL 269 Ca 0.02 -0.12 -0.14 0.00 -2.93 0.00 0.00 61.98 58.81 2x05 s VAL 269 Cb -0.09 -0.72 0.11 0.00 -1.53 0.00 0.00 36.38 34.16 2x05 s VAL 269 CO 0.03 0.28 0.68 0.00 -3.33 0.00 0.00 175.10 172.76 2x05 n ALA 270 N 4.57 -1.17 -0.92 1.54 0.00 -0.78 -0.52 120.51 123.23 2x05 n ALA 270 Ca -0.16 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2x05 n ALA 270 Cb 0.50 -3.30 0.00 0.00 0.00 0.00 0.00 19.45 16.66 2x05 n ALA 270 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x05 n GLY 271 N -1.32 0.82 3.69 0.00 0.00 -1.26 -5.01 105.19 102.10 2x05 n GLY 271 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2x05 n GLY 271 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x05 s LYS 272 N -0.17 4.12 0.26 1.61 1.02 0.32 -5.04 119.74 121.86 2x05 s LYS 272 Ca 0.00 -0.24 -0.30 0.00 0.02 0.00 0.00 55.97 55.45 2x05 s LYS 272 Cb 0.00 -3.49 -0.09 0.00 -0.52 0.00 0.00 37.83 33.73 2x05 s LYS 272 CO 0.00 0.16 1.06 -1.25 -0.92 0.00 0.00 175.35 174.40 2x05 s PRO 273 N 0.77 4.69 0.07 -1.68 0.04 -1.26 -0.96 135.00 136.67 2x05 s PRO 273 Ca 0.08 1.72 0.02 0.00 0.04 0.00 0.00 61.00 62.86 2x05 s PRO 273 Cb -0.13 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 2x05 s PRO 273 CO 0.02 0.27 -0.08 0.96 0.04 0.00 0.00 177.00 178.21 2x05 s ILE 274 N -1.06 0.70 -0.30 0.56 -4.36 0.37 -4.93 121.20 112.18 2x05 s ILE 274 Ca 0.44 -1.51 -0.14 0.00 -0.26 0.00 0.00 60.65 59.18 2x05 s ILE 274 Cb -0.30 -1.16 0.16 0.00 1.25 0.00 0.00 42.46 42.40 2x05 s ILE 274 CO 0.38 -0.59 0.93 -0.55 0.24 0.00 0.00 174.94 175.35 2x05 s SER 275 N -2.29 -0.66 0.09 4.36 0.15 -1.26 -1.38 113.70 112.71 2x05 s SER 275 Ca 0.01 0.92 0.06 0.00 0.70 0.00 0.00 55.95 57.65 2x05 s SER 275 Cb -0.03 1.70 -0.03 0.00 -1.71 0.00 0.00 66.02 65.95 2x05 s SER 275 CO -0.01 -0.13 -0.16 -1.10 1.20 0.00 0.00 173.24 173.03 2x05 s GLN 276 N 2.39 0.95 -0.08 5.44 -1.52 -0.31 -5.00 119.66 121.53 2x05 s GLN 276 Ca -0.04 -1.07 0.02 0.00 -1.95 0.00 0.00 55.36 52.32 2x05 s GLN 276 Cb -0.07 -1.03 0.01 0.00 -0.22 0.00 0.00 33.01 31.71 2x05 s GLN 276 CO -0.17 0.23 -0.12 0.99 -0.25 0.00 0.00 175.29 175.96 2x05 s THR 277 N -1.36 1.20 0.08 -0.19 2.01 -1.26 -0.00 115.64 116.12 2x05 s THR 277 Ca 0.02 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.57 2x05 s THR 277 Cb -0.09 -1.11 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 2x05 s THR 277 CO 0.03 0.37 -0.11 0.68 -0.69 0.00 0.00 174.62 174.91 2x05 s VAL 278 N 0.86 0.94 0.06 3.82 -7.23 0.01 -4.97 120.40 113.89 2x05 s VAL 278 Ca -0.11 -1.49 -0.22 0.00 -1.81 0.00 0.00 61.98 58.36 2x05 s VAL 278 Cb -0.15 -1.19 -0.06 0.00 0.56 0.00 0.00 36.38 35.53 2x05 s VAL 278 CO 0.01 -0.45 0.66 -0.44 -0.31 0.00 0.00 175.10 174.57 2x05 s SER 279 N -2.16 7.13 -0.16 4.85 0.01 -1.26 -0.47 113.70 121.64 2x05 s SER 279 Ca 0.02 1.35 0.00 0.00 1.31 0.00 0.00 55.95 58.63 2x05 s SER 279 Cb -0.06 -2.41 0.03 0.00 0.21 0.00 0.00 66.02 63.79 2x05 s SER 279 CO 0.01 0.16 -0.13 -0.76 0.41 0.00 0.00 173.24 172.93 2x05 s LEU 280 N -0.63 1.82 0.88 2.44 1.43 0.98 -4.97 118.68 120.63 2x05 s LEU 280 Ca 0.33 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 2x05 s LEU 280 Cb -0.20 -1.18 0.12 0.00 0.03 0.00 0.00 46.19 44.96 2x05 s LEU 280 CO 0.21 -0.08 1.11 0.00 0.23 0.00 0.00 176.35 177.81 2x05 s ALA 281 N 1.47 1.62 -0.00 4.21 0.00 -1.26 -0.35 121.76 127.44 2x05 s ALA 281 Ca 0.03 0.31 -0.36 0.00 0.00 0.00 0.00 51.96 51.95 2x05 s ALA 281 Cb -0.14 -3.33 -0.14 0.00 0.00 0.00 0.00 23.12 19.51 2x05 s ALA 281 CO -0.10 -2.42 1.65 0.00 0.00 0.00 0.00 175.76 174.89 2x05 n ALA 282 N -3.97 0.49 -0.98 0.00 0.00 -1.26 -1.87 120.51 112.92 2x05 n ALA 282 Ca 0.09 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2x05 n ALA 282 Cb 0.53 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2x05 n ALA 282 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2x05 n LYS 283 N 4.55 -0.34 -3.17 0.00 4.76 0.90 -5.01 118.16 119.86 2x05 n LYS 283 Ca 0.21 0.09 -0.38 0.00 -2.87 0.00 0.00 58.31 55.35 2x05 n LYS 283 Cb 0.24 -3.33 -0.06 0.00 -1.84 0.00 0.00 35.03 30.05 2x05 n LYS 283 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2x05 s GLU 284 N -0.38 4.29 -0.14 1.97 2.12 -0.78 -4.81 118.70 120.97 2x05 s GLU 284 Ca 0.00 0.86 -0.00 0.00 0.36 0.00 0.00 54.97 56.18 2x05 s GLU 284 Cb 0.00 -3.14 -0.01 0.00 0.26 0.00 0.00 34.13 31.24 2x05 s GLU 284 CO 0.00 0.56 -0.13 0.50 -0.54 0.00 0.00 175.26 175.65 2x05 s ARG 285 N -1.38 3.37 0.05 4.30 3.52 -1.26 -1.24 118.95 126.31 2x05 s ARG 285 Ca 0.35 -0.69 0.09 0.00 -0.13 0.00 0.00 55.73 55.35 2x05 s ARG 285 Cb -0.19 -2.66 -0.03 0.00 -1.56 0.00 0.00 34.95 30.51 2x05 s ARG 285 CO 0.21 0.17 -0.25 0.15 -0.81 0.00 0.00 175.30 174.78 2x05 s LYS 286 N 0.45 1.66 -0.28 5.12 1.02 -0.13 -4.97 119.74 122.62 2x05 s LYS 286 Ca -0.09 -1.09 -0.21 0.00 0.02 0.00 0.00 55.97 54.60 2x05 s LYS 286 Cb -0.16 -1.85 -0.01 0.00 -0.52 0.00 0.00 37.83 35.29 2x05 s LYS 286 CO 0.05 0.47 0.64 0.99 -0.92 0.00 0.00 175.35 176.59 2x05 s THR 287 N -0.83 4.94 -0.17 2.17 2.01 -1.26 -0.11 115.64 122.40 2x05 s THR 287 Ca 0.11 1.01 -0.16 0.00 0.31 0.00 0.00 61.69 62.96 2x05 s THR 287 Cb -0.10 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2x05 s THR 287 CO 0.02 -0.07 0.40 -0.69 -0.69 0.00 0.00 174.62 173.59 2x05 s VAL 288 N 2.59 5.22 -0.28 3.82 1.01 0.24 -4.95 120.40 128.05 2x05 s VAL 288 Ca 0.26 0.74 -0.07 0.00 0.00 0.00 0.00 61.98 62.92 2x05 s VAL 288 Cb -0.15 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 2x05 s VAL 288 CO 0.10 0.30 0.08 -0.89 0.00 0.00 0.00 175.10 174.69 2x05 s THR 289 N 0.93 4.07 0.57 3.92 2.01 -1.26 -1.35 115.64 124.54 2x05 s THR 289 Ca 0.20 -0.54 -0.17 0.00 0.31 0.00 0.00 61.69 61.49 2x05 s THR 289 Cb -0.14 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 2x05 s THR 289 CO 0.08 0.15 1.08 -0.36 -0.69 0.00 0.00 174.62 174.87 2x05 s PHE 290 N 1.54 2.87 0.49 4.92 0.08 0.60 -5.00 117.98 123.47 2x05 s PHE 290 Ca 0.04 1.54 -0.24 0.00 0.12 0.00 0.00 56.93 58.39 2x05 s PHE 290 Cb -0.17 -3.10 -0.07 0.00 -0.57 0.00 0.00 43.02 39.12 2x05 s PHE 290 CO 0.03 -1.24 1.40 -2.14 -0.10 0.00 0.00 175.22 173.17 2x05 s PRO 291 N -3.77 3.46 0.27 0.24 0.02 -1.26 -4.50 135.00 129.46 2x05 s PRO 291 Ca 0.67 2.34 -0.29 0.00 0.02 0.00 0.00 61.00 63.74 2x05 s PRO 291 Cb -0.18 -2.49 -0.14 0.00 0.02 0.00 0.00 34.50 31.70 2x05 s PRO 291 CO 0.32 -0.97 0.98 -0.11 -0.33 0.00 0.00 177.00 176.89 2x05 n LEU 292 N -0.54 1.48 -4.14 -5.54 7.94 -1.26 -4.76 117.00 110.17 2x05 n LEU 292 Ca 0.07 1.17 -0.33 0.00 -1.11 0.00 0.00 56.01 55.81 2x05 n LEU 292 Cb 0.43 -1.25 -0.16 0.00 0.53 0.00 0.00 43.42 42.98 2x05 n LEU 292 CO 0.56 -1.53 -0.51 -0.69 -1.11 0.00 0.00 177.39 174.11 2x05 s VAL 293 N -0.94 2.22 0.26 1.96 1.01 -0.54 -4.98 120.40 119.39 2x05 s VAL 293 Ca 0.61 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 61.53 2x05 s VAL 293 Cb -0.74 -1.96 -0.08 0.00 0.00 0.00 0.00 36.38 33.60 2x05 s VAL 293 CO 0.59 0.50 0.67 -0.83 0.00 0.00 0.00 175.10 176.03 2x05 s GLY 294 N 1.31 2.40 -0.11 4.51 0.00 -1.26 -0.94 107.32 113.23 2x05 s GLY 294 Ca 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 44.72 44.72 2x05 s GLY 294 CO -0.12 0.22 0.04 -2.27 0.00 0.00 0.00 173.10 170.98 2x05 s LEU 295 N -2.61 0.51 0.08 0.66 2.96 -0.50 -4.99 118.68 114.78 2x05 s LEU 295 Ca 0.48 -0.29 -0.16 0.00 -0.22 0.00 0.00 54.13 53.94 2x05 s LEU 295 Cb -0.12 -0.34 -0.06 0.00 0.50 0.00 0.00 46.19 46.17 2x05 s LEU 295 CO 0.19 -0.27 0.52 -1.81 -1.32 0.00 0.00 176.35 173.66 2x05 s ASP 296 N 2.05 6.91 -1.43 3.68 1.01 -1.26 -1.45 116.67 126.17 2x05 s ASP 296 Ca 0.03 1.12 -0.09 0.00 0.71 0.00 0.00 52.55 54.32 2x05 s ASP 296 Cb -0.14 -2.30 0.01 0.00 1.01 0.00 0.00 42.92 41.50 2x05 s ASP 296 CO -0.06 0.23 0.17 0.54 0.21 0.00 0.00 175.17 176.26 2x05 n ARG 297 N 1.41 -0.75 -1.72 8.23 1.74 0.73 -4.87 116.66 121.43 2x05 n ARG 297 Ca -0.09 0.07 -0.38 0.00 -0.77 0.00 0.00 57.85 56.68 2x05 n ARG 297 Cb 0.51 -3.20 0.05 0.00 -1.02 0.00 0.00 32.46 28.81 2x05 n ARG 297 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2x05 n PRO 298 N -4.65 1.37 -2.19 5.56 -0.04 -1.26 -4.88 135.00 128.91 2x05 n PRO 298 Ca -0.27 0.52 -0.34 0.00 -0.04 0.00 0.00 63.50 63.37 2x05 n PRO 298 Cb 0.65 -2.51 -0.04 0.00 -0.04 0.00 0.00 33.50 31.56 2x05 n PRO 298 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2x05 s ASN 299 N -1.14 5.52 0.32 3.54 0.02 -1.26 -4.95 114.94 117.00 2x05 s ASN 299 Ca 0.77 -0.49 -0.29 0.00 -1.02 0.00 0.00 52.86 51.83 2x05 s ASN 299 Cb -0.40 -2.55 -0.10 0.00 0.02 0.00 0.00 41.25 38.21 2x05 s ASN 299 CO 0.45 -2.33 1.33 -0.69 0.02 0.00 0.00 177.10 175.88 2x05 s VAL 300 N 8.44 2.69 0.18 1.60 1.01 -1.26 -4.63 120.40 128.42 2x05 s VAL 300 Ca 0.61 0.68 -0.30 0.00 0.00 0.00 0.00 61.98 62.97 2x05 s VAL 300 Cb -0.07 -3.43 -0.07 0.00 0.00 0.00 0.00 36.38 32.80 2x05 s VAL 300 CO 0.06 0.15 0.99 0.86 0.00 0.00 0.00 175.10 177.15 2x05 s TRP 301 N -0.96 3.82 0.12 5.22 -0.00 0.60 -4.53 118.94 123.21 2x05 s TRP 301 Ca 0.51 1.80 0.06 0.00 -0.00 0.00 0.00 56.10 58.47 2x05 s TRP 301 Cb -0.40 -3.08 -0.04 0.00 -0.00 0.00 0.00 33.47 29.95 2x05 s TRP 301 CO 0.52 0.11 -0.15 -1.58 -0.00 0.00 0.00 176.95 175.85 2x05 s TRP 302 N -0.52 1.49 1.05 5.86 0.52 0.55 -4.65 118.94 123.25 2x05 s TRP 302 Ca 0.45 -0.52 -0.13 0.00 0.02 0.00 0.00 56.10 55.92 2x05 s TRP 302 Cb -0.26 -0.78 0.18 0.00 -1.15 0.00 0.00 33.47 31.46 2x05 s TRP 302 CO 0.32 0.18 0.82 -2.30 0.02 0.00 0.00 176.95 175.99 2x05 n PRO 303 N 0.58 -1.37 -1.70 4.98 -0.02 -1.26 -4.50 135.00 131.71 2x05 n PRO 303 Ca -0.16 -0.36 -0.43 0.00 -2.02 0.00 0.00 63.50 60.53 2x05 n PRO 303 Cb 0.57 -2.12 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 2x05 n PRO 303 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x05 n ALA 304 N -4.47 1.62 -0.04 3.55 0.00 0.44 -2.57 120.51 119.05 2x05 n ALA 304 Ca 0.06 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2x05 n ALA 304 Cb 0.54 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2x05 n ALA 304 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x05 n GLY 305 N 1.93 1.69 0.00 0.00 0.00 -1.26 -4.83 105.19 102.72 2x05 n GLY 305 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 2x05 n GLY 305 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2x05 n MET 306 N -2.00 1.33 -0.24 1.61 2.00 -1.06 -4.42 117.12 114.34 2x05 n MET 306 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.67 2x05 n MET 306 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 33.22 31.91 2x05 n MET 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2x05 n GLY 307 N 1.42 -0.53 3.91 3.03 0.00 -1.25 -4.98 105.19 106.79 2x05 n GLY 307 Ca 0.02 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 2x05 n GLY 307 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x05 s GLY 308 N 0.00 1.63 -0.39 -0.02 0.00 -1.26 -4.80 107.32 102.48 2x05 s GLY 308 Ca 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 44.72 44.09 2x05 s GLY 308 CO 0.00 -0.27 1.37 -1.06 0.00 0.00 0.00 173.10 173.14 2x05 n GLN 309 N -3.02 3.40 -2.44 2.90 3.00 -1.26 -0.33 117.38 119.62 2x05 n GLN 309 Ca 0.07 -4.00 -0.40 0.00 -0.01 0.00 0.00 57.00 52.66 2x05 n GLN 309 Cb 0.60 -2.28 -0.04 0.00 0.00 0.00 0.00 30.24 28.52 2x05 n GLN 309 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2x05 s HIS 310 N -3.65 3.50 -0.01 1.08 2.46 -1.26 -4.67 115.29 112.74 2x05 s HIS 310 Ca 0.54 1.67 0.05 0.00 0.47 0.00 0.00 55.06 57.78 2x05 s HIS 310 Cb 0.43 -3.31 -0.01 0.00 -0.13 0.00 0.00 32.58 29.56 2x05 s HIS 310 CO 0.01 -0.68 -0.15 1.03 -2.47 0.00 0.00 174.74 172.47 2x05 s ARG 311 N -1.56 1.23 0.50 2.88 0.52 -1.26 -4.26 118.95 117.00 2x05 s ARG 311 Ca 0.46 -0.53 -0.02 0.00 -0.52 0.00 0.00 55.73 55.11 2x05 s ARG 311 Cb -0.32 -1.18 -0.00 0.00 0.52 0.00 0.00 34.95 33.96 2x05 s ARG 311 CO 0.41 0.31 0.76 0.71 0.02 0.00 0.00 175.30 177.51 2x05 s TYR 312 N -0.31 3.29 0.02 -0.53 2.02 -0.11 -4.87 117.35 116.86 2x05 s TYR 312 Ca 0.05 0.45 -0.05 0.00 -0.37 0.00 0.00 57.07 57.15 2x05 s TYR 312 Cb -0.06 -2.44 -0.05 0.00 -0.40 0.00 0.00 41.96 39.02 2x05 s TYR 312 CO -0.00 -0.48 0.26 -0.51 -1.57 0.00 0.00 175.55 173.25 2x05 s ASP 313 N -4.22 6.47 -0.17 2.29 1.01 -1.26 -1.60 116.67 119.18 2x05 s ASP 313 Ca 0.50 0.51 -0.01 0.00 0.71 0.00 0.00 52.55 54.26 2x05 s ASP 313 Cb -0.10 -2.07 -0.00 0.00 1.01 0.00 0.00 42.92 41.75 2x05 s ASP 313 CO 0.41 0.23 -0.12 -0.22 0.21 0.00 0.00 175.17 175.68 2x05 s LEU 314 N -1.93 2.62 -0.07 1.23 2.96 0.64 -1.86 118.68 122.27 2x05 s LEU 314 Ca 0.29 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 2x05 s LEU 314 Cb -0.13 -1.62 0.03 0.00 0.50 0.00 0.00 46.19 44.97 2x05 s LEU 314 CO 0.18 0.07 -0.00 -0.62 -1.32 0.00 0.00 176.35 174.66 2x05 s ASP 315 N 0.92 1.58 0.02 3.68 2.15 -0.38 -1.07 116.67 123.57 2x05 s ASP 315 Ca -0.03 -0.09 0.01 0.00 0.43 0.00 0.00 52.55 52.87 2x05 s ASP 315 Cb -0.15 -0.45 -0.02 0.00 -0.30 0.00 0.00 42.92 42.01 2x05 s ASP 315 CO -0.01 -0.19 -0.04 -0.76 -0.17 0.00 0.00 175.17 174.00 2x05 s LEU 316 N 1.93 2.18 -0.03 -1.34 1.43 -1.00 -0.46 118.68 121.40 2x05 s LEU 316 Ca 0.05 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 2x05 s LEU 316 Cb -0.12 -0.02 0.02 0.00 0.03 0.00 0.00 46.19 46.09 2x05 s LEU 316 CO -0.05 -0.19 -0.02 -0.89 0.23 0.00 0.00 176.35 175.43 2x05 s THR 317 N -1.07 0.27 -0.22 5.49 2.01 0.12 -1.35 115.64 120.89 2x05 s THR 317 Ca -0.10 -0.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.77 2x05 s THR 317 Cb -0.08 -0.32 -0.05 0.00 0.01 0.00 0.00 72.50 72.07 2x05 s THR 317 CO -0.00 0.14 0.20 0.00 -0.69 0.00 0.00 174.62 174.27 2x05 s ALA 318 N 0.72 3.62 0.19 7.40 0.00 0.06 -0.95 121.76 132.80 2x05 s ALA 318 Ca -0.08 -0.76 0.11 0.00 0.00 0.00 0.00 51.96 51.23 2x05 s ALA 318 Cb -0.11 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 2x05 s ALA 318 CO -0.01 -0.11 -0.24 -1.12 0.00 0.00 0.00 175.76 174.28 2x05 s SER 319 N 0.86 3.42 -0.03 0.00 0.01 -0.06 -0.10 113.70 117.81 2x05 s SER 319 Ca 0.10 -0.87 -0.01 0.00 1.31 0.00 0.00 55.95 56.48 2x05 s SER 319 Cb -0.13 -0.25 0.03 0.00 0.21 0.00 0.00 66.02 65.88 2x05 s SER 319 CO 0.04 0.12 0.06 -0.69 0.41 0.00 0.00 173.24 173.18 2x05 s VAL 320 N -1.66 -0.06 -1.57 3.43 1.01 -0.68 -1.27 120.40 119.61 2x05 s VAL 320 Ca 0.21 0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 2x05 s VAL 320 Cb -0.08 -0.13 0.01 0.00 0.00 0.00 0.00 36.38 36.18 2x05 s VAL 320 CO 0.10 0.08 0.29 0.61 0.00 0.00 0.00 175.10 176.18 2x05 n GLY 321 N 4.18 -0.51 2.53 4.51 0.00 -1.26 -2.43 105.19 112.21 2x05 n GLY 321 Ca -0.27 0.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 2x05 n GLY 321 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x05 n GLY 322 N -1.22 0.30 3.33 -0.02 0.00 -1.26 -5.02 105.19 101.30 2x05 n GLY 322 Ca -0.16 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 2x05 n GLY 322 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x05 s THR 323 N -1.52 1.95 0.21 2.61 -4.23 -1.02 -5.11 115.64 108.54 2x05 s THR 323 Ca 0.00 -1.58 -0.30 0.00 -1.18 0.00 0.00 61.69 58.63 2x05 s THR 323 Cb 0.00 -1.74 -0.09 0.00 1.34 0.00 0.00 72.50 72.01 2x05 s THR 323 CO 0.00 0.06 1.40 -2.84 -0.54 0.00 0.00 174.62 172.70 2x05 s PRO 324 N -1.83 4.31 -0.26 3.99 0.02 -1.26 -1.69 135.00 138.28 2x05 s PRO 324 Ca 0.10 2.20 -0.08 0.00 0.02 0.00 0.00 61.00 63.24 2x05 s PRO 324 Cb -0.10 -3.16 -0.15 0.00 0.02 0.00 0.00 34.50 31.11 2x05 s PRO 324 CO 0.04 -0.37 -0.23 0.45 -0.33 0.00 0.00 177.00 176.56 2x05 n SER 325 N 2.69 1.97 -3.60 2.53 2.88 0.86 -4.29 113.62 116.66 2x05 n SER 325 Ca 0.07 0.15 -0.12 0.00 -1.33 0.00 0.00 58.87 57.64 2x05 n SER 325 Cb 0.41 -0.67 -0.05 0.00 -0.75 0.00 0.00 64.21 63.15 2x05 n SER 325 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2x05 s ASP 326 N -7.05 -0.34 0.07 -3.46 2.15 -1.09 -0.57 116.67 106.37 2x05 s ASP 326 Ca -0.36 -0.05 -0.04 0.00 0.43 0.00 0.00 52.55 52.53 2x05 s ASP 326 Cb 0.12 0.48 -0.03 0.00 -0.30 0.00 0.00 42.92 43.19 2x05 s ASP 326 CO 0.56 -0.77 0.06 0.00 -0.17 0.00 0.00 175.17 174.84 2x05 s ALA 327 N -3.03 0.24 -0.24 3.66 0.00 -1.26 -0.76 121.76 120.37 2x05 s ALA 327 Ca -0.02 -0.99 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 2x05 s ALA 327 Cb 0.00 0.38 0.09 0.00 0.00 0.00 0.00 23.12 23.59 2x05 s ALA 327 CO -0.06 -0.43 0.53 0.00 0.00 0.00 0.00 175.76 175.80 2x05 s ALA 328 N -3.90 -1.52 -0.16 0.00 0.00 -0.46 -4.81 121.76 110.91 2x05 s ALA 328 Ca 0.07 1.92 -0.05 0.00 0.00 0.00 0.00 51.96 53.89 2x05 s ALA 328 Cb 0.07 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 2x05 s ALA 328 CO -0.10 -0.64 0.01 0.15 0.00 0.00 0.00 175.76 175.17 2x05 s LYS 329 N 2.28 3.71 0.28 0.00 1.02 -1.26 -2.38 119.74 123.39 2x05 s LYS 329 Ca -0.06 -0.44 -0.04 0.00 0.02 0.00 0.00 55.97 55.46 2x05 s LYS 329 Cb -0.10 -3.02 -0.01 0.00 -0.52 0.00 0.00 37.83 34.18 2x05 s LYS 329 CO -0.16 0.32 0.36 -1.54 -0.92 0.00 0.00 175.35 173.41 2x05 s SER 330 N 0.20 0.55 0.26 2.83 1.04 -0.23 -5.01 113.70 113.34 2x05 s SER 330 Ca 0.01 -1.35 0.08 0.00 0.48 0.00 0.00 55.95 55.17 2x05 s SER 330 Cb -0.13 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 2x05 s SER 330 CO 0.02 -1.11 -0.12 -0.54 0.98 0.00 0.00 173.24 172.47 2x05 s LYS 331 N -3.64 1.53 0.04 4.02 1.02 -1.26 -0.26 119.74 121.19 2x05 s LYS 331 Ca 0.32 -1.73 -0.19 0.00 0.02 0.00 0.00 55.97 54.38 2x05 s LYS 331 Cb 0.02 -1.34 0.04 0.00 -0.52 0.00 0.00 37.83 36.03 2x05 s LYS 331 CO 0.16 0.16 0.44 -0.59 -0.92 0.00 0.00 175.35 174.60 2x05 s PHE 332 N -2.84 -0.31 0.17 3.18 -0.12 -0.63 -4.76 117.98 112.66 2x05 s PHE 332 Ca 0.28 0.32 0.04 0.00 -0.05 0.00 0.00 56.93 57.51 2x05 s PHE 332 Cb 0.00 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.60 2x05 s PHE 332 CO 0.11 -0.58 0.23 0.20 -0.05 0.00 0.00 175.22 175.14 2x05 s GLY 333 N -1.93 1.64 -0.40 1.99 0.00 -1.25 -0.93 107.32 106.44 2x05 s GLY 333 Ca -0.06 -1.15 -0.10 0.00 0.00 0.00 0.00 44.72 43.41 2x05 s GLY 333 CO -0.01 -1.16 0.23 0.14 0.00 0.00 0.00 173.10 172.30 2x05 s VAL 334 N -1.80 4.36 -0.17 1.40 1.01 -1.26 -4.87 120.40 119.07 2x05 s VAL 334 Ca 0.33 -1.16 -0.28 0.00 0.00 0.00 0.00 61.98 60.87 2x05 s VAL 334 Cb -0.10 -3.56 0.09 0.00 0.00 0.00 0.00 36.38 32.81 2x05 s VAL 334 CO 0.26 -0.38 0.81 -0.60 0.00 0.00 0.00 175.10 175.19 2x05 s ARG 335 N 1.48 0.82 -0.02 2.72 3.52 -1.26 -0.29 118.95 125.92 2x05 s ARG 335 Ca 0.02 0.52 0.05 0.00 -0.13 0.00 0.00 55.73 56.19 2x05 s ARG 335 Cb -0.21 0.39 -0.03 0.00 -1.56 0.00 0.00 34.95 33.54 2x05 s ARG 335 CO 0.04 -0.19 -0.16 0.34 -0.81 0.00 0.00 175.30 174.52 2x05 s ASP 336 N -0.47 3.91 -0.01 -2.12 -1.08 -1.26 -4.80 116.67 110.84 2x05 s ASP 336 Ca -0.04 -0.29 0.01 0.00 -0.52 0.00 0.00 52.55 51.71 2x05 s ASP 336 Cb -0.02 -0.74 0.01 0.00 -1.46 0.00 0.00 42.92 40.70 2x05 s ASP 336 CO 0.03 0.31 -0.02 0.54 0.52 0.00 0.00 175.17 176.55 2x05 s VAL 337 N -0.80 0.24 0.09 1.11 0.11 -1.26 0.55 120.40 120.44 2x05 s VAL 337 Ca 0.13 -0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.15 2x05 s VAL 337 Cb -0.11 -0.24 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 2x05 s VAL 337 CO 0.02 0.09 -0.15 -0.54 -3.33 0.00 0.00 175.10 171.19 2x05 s LYS 338 N 0.21 0.94 -0.29 1.54 1.02 0.06 -4.77 119.74 118.45 2x05 s LYS 338 Ca -0.02 -1.09 -0.03 0.00 0.02 0.00 0.00 55.97 54.85 2x05 s LYS 338 Cb -0.05 -0.96 0.10 0.00 -0.52 0.00 0.00 37.83 36.41 2x05 s LYS 338 CO -0.00 0.21 0.16 0.00 -0.92 0.00 0.00 175.35 174.79 2x05 s ALA 339 N -1.54 0.43 0.42 5.17 0.00 -1.26 0.05 121.76 125.04 2x05 s ALA 339 Ca 0.03 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.11 2x05 s ALA 339 Cb -0.08 -1.44 -0.06 0.00 0.00 0.00 0.00 23.12 21.53 2x05 s ALA 339 CO 0.03 -1.64 0.02 0.95 0.00 0.00 0.00 175.76 175.12 2x05 s THR 340 N 2.14 1.60 -0.13 0.00 -4.23 -0.27 -4.83 115.64 109.93 2x05 s THR 340 Ca 0.09 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.45 2x05 s THR 340 Cb -0.16 -2.74 -0.05 0.00 1.34 0.00 0.00 72.50 70.90 2x05 s THR 340 CO -0.35 0.00 0.36 -0.76 -0.54 0.00 0.00 174.62 173.32 2x05 s LEU 341 N -3.71 4.28 0.85 4.79 1.43 -1.26 0.17 118.68 125.24 2x05 s LEU 341 Ca 0.28 0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 53.93 2x05 s LEU 341 Cb 0.07 -2.49 0.15 0.00 0.03 0.00 0.00 46.19 43.96 2x05 s LEU 341 CO 0.14 0.10 1.18 0.54 0.23 0.00 0.00 176.35 178.55 2x05 s ASN 342 N 0.31 3.79 0.20 2.29 2.20 0.60 -4.88 114.94 119.45 2x05 s ASN 342 Ca 0.20 0.19 0.15 0.00 -0.94 0.00 0.00 52.86 52.46 2x05 s ASN 342 Cb -0.14 -0.44 0.77 0.00 -2.00 0.00 0.00 41.25 39.44 2x05 s ASN 342 CO 0.07 -2.28 1.46 -1.54 -2.94 0.00 0.00 177.10 171.87 2x05 n SER 343 N -3.37 0.37 -1.10 3.54 3.41 -1.26 -0.58 113.62 114.63 2x05 n SER 343 Ca 0.13 0.66 0.11 0.00 -0.26 0.00 0.00 58.87 59.51 2x05 n SER 343 Cb 0.60 -0.71 0.21 0.00 -0.26 0.00 0.00 64.21 64.04 2x05 n SER 343 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2x05 n SER 344 N -1.99 3.39 -0.33 4.04 7.64 -1.26 -4.96 113.62 120.16 2x05 n SER 344 Ca -0.00 -1.97 -0.04 0.00 1.01 0.00 0.00 58.87 57.87 2x05 n SER 344 Cb 0.06 -0.24 -0.01 0.00 -1.01 0.00 0.00 64.21 63.00 2x05 n SER 344 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x05 n GLY 345 N 1.40 0.59 3.85 0.23 0.00 0.25 -4.92 105.19 106.59 2x05 n GLY 345 Ca 0.18 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 2x05 n GLY 345 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x05 s GLY 346 N -2.93 2.34 -0.33 -0.02 0.00 -1.26 -4.35 107.32 100.77 2x05 s GLY 346 Ca 0.00 -0.40 -0.29 0.00 0.00 0.00 0.00 44.72 44.03 2x05 s GLY 346 CO 0.00 -0.05 1.15 -1.60 0.00 0.00 0.00 173.10 172.60 2x05 s ARG 347 N -0.99 3.99 -0.23 2.90 6.06 -0.36 -0.29 118.95 130.03 2x05 s ARG 347 Ca 0.20 1.07 -0.03 0.00 -2.50 0.00 0.00 55.73 54.47 2x05 s ARG 347 Cb -0.15 -3.80 0.00 0.00 0.06 0.00 0.00 34.95 31.07 2x05 s ARG 347 CO 0.09 -1.02 -0.05 -1.14 -2.50 0.00 0.00 175.30 170.69 2x05 s GLN 348 N 3.89 3.22 0.19 5.12 2.00 0.13 -4.71 119.66 129.50 2x05 s GLN 348 Ca 0.49 -0.72 -0.09 0.00 -2.00 0.00 0.00 55.36 53.04 2x05 s GLN 348 Cb -0.13 -3.00 -0.07 0.00 0.80 0.00 0.00 33.01 30.62 2x05 s GLN 348 CO 0.19 -0.25 0.50 0.71 -0.50 0.00 0.00 175.29 175.94 2x05 s TYR 349 N 1.44 3.46 0.01 1.67 2.02 -1.26 -1.11 117.35 123.58 2x05 s TYR 349 Ca 0.04 0.81 -0.02 0.00 -0.37 0.00 0.00 57.07 57.54 2x05 s TYR 349 Cb -0.15 -2.21 -0.01 0.00 -0.40 0.00 0.00 41.96 39.19 2x05 s TYR 349 CO -0.04 0.34 0.03 -1.54 -1.57 0.00 0.00 175.55 172.77 2x05 s SER 350 N -2.27 0.15 -0.12 2.29 1.04 0.11 -2.34 113.70 112.56 2x05 s SER 350 Ca 0.44 -0.36 0.03 0.00 0.48 0.00 0.00 55.95 56.54 2x05 s SER 350 Cb -0.12 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.14 2x05 s SER 350 CO 0.21 -0.29 -0.22 -0.69 0.98 0.00 0.00 173.24 173.23 2x05 s VAL 351 N -1.28 2.00 -1.76 5.02 1.01 -0.54 -0.76 120.40 124.09 2x05 s VAL 351 Ca -0.14 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 60.68 2x05 s VAL 351 Cb -0.08 -1.75 0.18 0.00 0.00 0.00 0.00 36.38 34.73 2x05 s VAL 351 CO -0.00 0.54 0.74 0.59 0.00 0.00 0.00 175.10 176.97 2x05 n ASN 352 N 3.85 -2.91 0.00 3.32 5.03 0.19 -0.64 115.26 124.10 2x05 n ASN 352 Ca -0.20 -1.08 0.00 0.00 0.87 0.00 0.00 54.58 54.18 2x05 n ASN 352 Cb 0.52 -2.44 0.00 0.00 -1.02 0.00 0.00 39.78 36.84 2x05 n ASN 352 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2x05 n GLY 353 N -1.30 0.83 3.48 7.41 0.00 -1.26 -5.00 105.19 109.34 2x05 n GLY 353 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2x05 n GLY 353 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x05 s LYS 354 N -0.17 3.15 0.43 1.61 -0.14 0.19 -5.07 119.74 119.75 2x05 s LYS 354 Ca 0.00 -0.89 -0.25 0.00 -1.36 0.00 0.00 55.97 53.47 2x05 s LYS 354 Cb 0.00 -3.89 -0.08 0.00 -1.68 0.00 0.00 37.83 32.18 2x05 s LYS 354 CO 0.00 -0.63 1.30 -1.25 -0.76 0.00 0.00 175.35 174.01 2x05 s PRO 355 N 1.68 3.83 0.06 -1.68 0.04 -1.26 -1.46 135.00 136.21 2x05 s PRO 355 Ca 0.05 2.13 0.05 0.00 0.04 0.00 0.00 61.00 63.27 2x05 s PRO 355 Cb -0.18 -2.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.68 2x05 s PRO 355 CO 0.10 -0.60 -0.14 -0.51 0.04 0.00 0.00 177.00 175.89 2x05 s LEU 356 N -2.65 2.23 -0.16 -3.56 1.02 -0.99 -4.93 118.68 109.64 2x05 s LEU 356 Ca 0.60 -0.55 -0.29 0.00 0.02 0.00 0.00 54.13 53.91 2x05 s LEU 356 Cb -0.37 -0.55 -0.01 0.00 0.02 0.00 0.00 46.19 45.27 2x05 s LEU 356 CO 0.47 -0.03 1.24 -0.22 0.02 0.00 0.00 176.35 177.83 2x05 s LEU 357 N -1.48 4.18 -0.20 1.79 2.96 -1.26 -4.46 118.68 120.21 2x05 s LEU 357 Ca -0.01 1.67 -0.29 0.00 -0.22 0.00 0.00 54.13 55.29 2x05 s LEU 357 Cb -0.09 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 2x05 s LEU 357 CO 0.02 -0.74 1.61 -0.63 -1.32 0.00 0.00 176.35 175.30 2x05 s ILE 358 N 3.35 3.70 -0.23 6.68 -1.09 -1.16 -4.96 121.20 127.49 2x05 s ILE 358 Ca 0.54 0.79 -0.00 0.00 -2.23 0.00 0.00 60.65 59.75 2x05 s ILE 358 Cb -0.21 -3.68 0.03 0.00 -1.58 0.00 0.00 42.46 37.01 2x05 s ILE 358 CO 0.14 -0.26 -0.11 -0.13 -1.23 0.00 0.00 174.94 173.35 2x05 s ARG 359 N 4.58 2.83 0.00 2.79 0.52 -1.26 0.54 118.95 128.95 2x05 s ARG 359 Ca 0.71 -0.97 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 2x05 s ARG 359 Cb -0.26 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 32.37 2x05 s ARG 359 CO 0.29 -0.35 0.00 0.41 0.02 0.00 0.00 175.30 175.66 2x05 n GLY 360 N 4.62 1.86 3.28 -3.53 0.00 -0.00 -0.26 105.19 111.17 2x05 n GLY 360 Ca -0.18 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 2x05 n GLY 360 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x05 s GLY 361 N -0.81 -0.03 -0.42 -0.02 0.00 -1.06 0.22 107.32 105.22 2x05 s GLY 361 Ca 0.00 -0.39 -0.29 0.00 0.00 0.00 0.00 44.72 44.04 2x05 s GLY 361 CO 0.00 -0.58 1.11 -0.32 0.00 0.00 0.00 173.10 173.32 2x05 s GLY 362 N -2.85 1.40 0.33 0.20 0.00 -0.49 -1.24 107.32 104.67 2x05 s GLY 362 Ca 0.06 -0.31 -0.26 0.00 0.00 0.00 0.00 44.72 44.21 2x05 s GLY 362 CO -0.10 2.36 0.97 -0.47 0.00 0.00 0.00 173.10 175.86 2x05 s TYR 363 N 4.14 3.62 0.02 1.90 5.04 0.15 -0.53 117.35 131.69 2x05 s TYR 363 Ca 0.47 1.76 0.02 0.00 -2.44 0.00 0.00 57.07 56.88 2x05 s TYR 363 Cb -0.09 -2.96 -0.01 0.00 0.35 0.00 0.00 41.96 39.24 2x05 s TYR 363 CO 0.25 0.06 -0.07 -0.08 -1.34 0.00 0.00 175.55 174.37 2x05 s THR 364 N -1.62 0.54 0.97 4.34 -1.32 -1.26 -4.57 115.64 112.72 2x05 s THR 364 Ca 0.51 -0.62 -0.16 0.00 -1.21 0.00 0.00 61.69 60.21 2x05 s THR 364 Cb -0.19 -0.52 0.23 0.00 -1.51 0.00 0.00 72.50 70.51 2x05 s THR 364 CO 0.25 -0.07 1.20 -0.81 -2.21 0.00 0.00 174.62 172.97 2x05 n PRO 365 N 2.31 -1.61 -1.78 7.08 -0.04 -1.26 -4.79 135.00 134.91 2x05 n PRO 365 Ca -0.17 -1.86 -0.39 0.00 -0.04 0.00 0.00 63.50 61.04 2x05 n PRO 365 Cb 0.56 -1.34 0.02 0.00 -0.04 0.00 0.00 33.50 32.71 2x05 n PRO 365 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2x05 s ASP 366 N -5.26 5.68 0.59 3.54 2.15 -1.26 -4.23 116.67 117.87 2x05 s ASP 366 Ca 0.70 2.90 0.29 0.00 0.43 0.00 0.00 52.55 56.86 2x05 s ASP 366 Cb -0.03 -2.65 1.62 0.00 -0.30 0.00 0.00 42.92 41.56 2x05 s ASP 366 CO 0.50 -1.31 2.05 0.25 -0.17 0.00 0.00 175.17 176.49 2x05 h LEU 367 N 2.07 0.00 -3.21 -1.34 5.85 -1.35 0.19 115.31 117.52 2x05 h LEU 367 Ca -0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2x05 h LEU 367 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2x05 h LEU 367 CO 0.60 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 179.19 2x05 n PHE 368 N -3.74 0.77 -3.60 1.25 3.72 -1.26 -4.77 117.46 109.82 2x05 n PHE 368 Ca 0.03 -0.89 -0.27 0.00 -0.05 0.00 0.00 57.45 56.27 2x05 n PHE 368 Cb 0.41 -0.28 -0.00 0.00 -0.94 0.00 0.00 39.48 38.67 2x05 n PHE 368 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2x05 n LEU 369 N -0.65 -1.79 -4.68 4.37 4.77 0.66 -4.36 117.00 115.32 2x05 n LEU 369 Ca 0.20 -0.57 -0.42 0.00 -0.03 0.00 0.00 56.01 55.19 2x05 n LEU 369 Cb 0.84 -2.22 -0.03 0.00 -2.33 0.00 0.00 43.42 39.68 2x05 n LEU 369 CO 0.13 0.24 1.02 -0.13 -1.33 0.00 0.00 177.39 177.31 2x05 s ARG 370 N -6.28 4.32 -0.14 3.23 0.52 -1.26 -4.74 118.95 114.60 2x05 s ARG 370 Ca 0.51 1.75 -0.07 0.00 -0.52 0.00 0.00 55.73 57.40 2x05 s ARG 370 Cb -0.27 -3.59 -0.04 0.00 0.52 0.00 0.00 34.95 31.57 2x05 s ARG 370 CO 0.63 -0.52 0.11 -0.46 0.02 0.00 0.00 175.30 175.08 2x05 s TRP 371 N 2.44 3.47 -0.19 -0.53 -0.11 -1.26 -4.60 118.94 118.16 2x05 s TRP 371 Ca 0.58 0.40 -0.07 0.00 1.22 0.00 0.00 56.10 58.23 2x05 s TRP 371 Cb -0.26 -1.99 0.08 0.00 -1.50 0.00 0.00 33.47 29.80 2x05 s TRP 371 CO 0.22 0.55 0.41 1.21 -4.62 0.00 0.00 176.95 174.72 2x05 s ASN 372 N -0.56 -0.28 0.12 5.86 3.84 -1.26 -5.07 114.94 117.59 2x05 s ASN 372 Ca 0.12 0.94 -0.16 0.00 0.21 0.00 0.00 52.86 53.97 2x05 s ASN 372 Cb -0.12 1.15 -0.03 0.00 -0.55 0.00 0.00 41.25 41.70 2x05 s ASN 372 CO 0.02 -0.22 1.57 -0.08 -2.79 0.00 0.00 177.10 175.60 2x05 h GLU 373 N 7.90 0.63 -0.09 0.43 4.81 -1.99 -0.23 114.58 126.05 2x05 h GLU 373 Ca -0.21 -0.19 0.03 0.00 -0.13 0.00 0.00 59.36 58.86 2x05 h GLU 373 Cb 1.13 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 2x05 h GLU 373 CO 0.17 0.73 -0.14 1.15 -0.73 0.00 0.00 179.01 180.19 2x05 h THR 374 N 0.46 0.64 -0.92 0.32 2.02 -1.99 0.11 112.91 113.56 2x05 h THR 374 Ca 0.11 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.31 2x05 h THR 374 Cb 0.43 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 2x05 h THR 374 CO 0.01 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.51 2x05 h ALA 375 N 0.86 1.38 -0.27 6.16 0.00 -1.91 0.16 119.26 125.64 2x05 h ALA 375 Ca 0.08 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2x05 h ALA 375 Cb 0.29 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2x05 h ALA 375 CO -0.20 0.55 0.14 0.00 0.00 0.00 0.00 179.25 179.74 2x05 h ALA 376 N 1.45 0.33 -0.05 0.00 0.00 -0.59 -1.19 119.26 119.21 2x05 h ALA 376 Ca 0.35 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.27 2x05 h ALA 376 Cb -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2x05 h ALA 376 CO -0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 179.25 178.91 2x05 h ALA 377 N 1.13 0.04 -0.75 0.00 0.00 0.48 -1.65 119.26 118.51 2x05 h ALA 377 Ca 0.11 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.15 2x05 h ALA 377 Cb 0.02 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 2x05 h ALA 377 CO -0.07 -0.49 0.37 -0.44 0.00 0.00 0.00 179.25 178.62 2x05 h ASP 378 N 0.01 0.46 -0.59 0.00 3.32 -0.59 0.98 116.42 120.01 2x05 h ASP 378 Ca 0.03 0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 2x05 h ASP 378 Cb 0.03 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2x05 h ASP 378 CO -0.05 0.25 0.05 0.11 -1.72 0.00 0.00 179.24 177.88 2x05 h LYS 379 N 0.60 1.01 -0.31 3.56 1.57 -0.85 -0.78 116.57 121.37 2x05 h LYS 379 Ca 0.38 -0.30 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 2x05 h LYS 379 Cb 0.44 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2x05 h LYS 379 CO -0.30 0.97 -0.34 -0.07 -0.57 0.00 0.00 179.45 179.14 2x05 h LEU 380 N 0.90 0.71 -1.22 2.94 3.38 -0.88 -2.91 115.31 118.23 2x05 h LEU 380 Ca 0.17 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2x05 h LEU 380 Cb 0.49 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2x05 h LEU 380 CO 0.02 0.99 0.49 0.11 0.09 0.00 0.00 178.44 180.14 2x05 h LYS 381 N 0.57 1.01 -1.00 1.13 1.57 -0.50 -1.91 116.57 117.44 2x05 h LYS 381 Ca 0.06 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 2x05 h LYS 381 Cb 0.85 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.88 2x05 h LYS 381 CO 0.07 0.68 0.65 1.88 -0.57 0.00 0.00 179.45 182.17 2x05 h TYR 382 N 1.03 1.21 -0.30 -1.35 -1.99 -0.97 0.03 116.97 114.64 2x05 h TYR 382 Ca 0.28 0.03 0.07 0.00 2.00 0.00 0.00 58.73 61.10 2x05 h TYR 382 Cb -0.09 -0.40 -0.07 0.00 2.00 0.00 0.00 36.73 38.17 2x05 h TYR 382 CO 0.00 0.66 -0.15 0.28 -0.00 0.00 0.00 178.16 178.96 2x05 h VAL 383 N 1.22 0.55 -0.40 -2.88 2.07 -1.16 0.10 116.25 115.75 2x05 h VAL 383 Ca 0.42 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.87 2x05 h VAL 383 Cb 0.09 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2x05 h VAL 383 CO -0.15 0.00 -0.01 -0.07 0.02 0.00 0.00 177.57 177.36 2x05 h LEU 384 N -0.10 0.62 -1.29 2.57 3.38 -1.38 -1.96 115.31 117.15 2x05 h LEU 384 Ca 0.15 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2x05 h LEU 384 Cb 0.34 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2x05 h LEU 384 CO -0.36 0.69 -0.14 -1.13 0.09 0.00 0.00 178.44 177.59 2x05 h ASN 385 N 0.61 0.29 1.23 -0.43 -0.73 0.47 -1.88 115.58 115.14 2x05 h ASN 385 Ca 0.12 -0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.23 2x05 h ASN 385 Cb 0.40 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.91 2x05 h ASN 385 CO 0.02 0.46 0.00 -0.07 -0.37 0.00 0.00 177.43 177.47 2x05 h LEU 386 N 0.29 0.00 0.00 0.34 3.38 -0.56 -3.47 115.31 115.29 2x05 h LEU 386 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2x05 h LEU 386 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2x05 h LEU 386 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2x05 n GLY 387 N 0.51 0.71 3.87 0.83 0.00 -0.71 -3.91 105.19 106.49 2x05 n GLY 387 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2x05 n GLY 387 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x05 s LEU 388 N 0.00 3.27 0.00 0.99 1.43 -0.76 -4.87 118.68 118.73 2x05 s LEU 388 Ca 0.00 1.43 0.11 0.00 -1.03 0.00 0.00 54.13 54.64 2x05 s LEU 388 Cb 0.00 -4.47 -0.08 0.00 0.03 0.00 0.00 46.19 41.66 2x05 s LEU 388 CO 0.00 -0.84 0.51 -0.46 0.23 0.00 0.00 176.35 175.78 2x05 n ASN 389 N -2.64 0.71 -3.75 2.29 0.23 0.65 -4.37 115.26 108.38 2x05 n ASN 389 Ca 0.06 -0.86 -0.13 0.00 -0.53 0.00 0.00 54.58 53.12 2x05 n ASN 389 Cb 0.54 0.85 -0.10 0.00 -2.08 0.00 0.00 39.78 38.99 2x05 n ASN 389 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2x05 s THR 390 N -1.84 0.00 -0.01 5.53 2.01 -1.09 -1.16 115.64 119.09 2x05 s THR 390 Ca 0.05 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.06 2x05 s THR 390 Cb 0.08 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 72.05 2x05 s THR 390 CO 0.39 -0.02 -0.09 0.68 -0.69 0.00 0.00 174.62 174.89 2x05 s VAL 391 N 0.09 3.45 -0.10 3.82 -7.23 0.32 -2.55 120.40 118.20 2x05 s VAL 391 Ca -0.01 -0.78 -0.03 0.00 -1.81 0.00 0.00 61.98 59.34 2x05 s VAL 391 Cb -0.03 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 2x05 s VAL 391 CO 0.01 0.44 0.03 -0.60 -0.31 0.00 0.00 175.10 174.67 2x05 s ARG 392 N -1.24 3.20 -0.35 4.82 3.52 -0.37 -0.70 118.95 127.82 2x05 s ARG 392 Ca 0.15 -0.36 0.02 0.00 -0.13 0.00 0.00 55.73 55.41 2x05 s ARG 392 Cb -0.11 -2.91 0.10 0.00 -1.56 0.00 0.00 34.95 30.47 2x05 s ARG 392 CO 0.05 0.65 0.08 -0.51 -0.81 0.00 0.00 175.30 174.76 2x05 s LEU 393 N -0.72 4.76 -0.84 -0.88 1.02 -0.52 0.34 118.68 121.84 2x05 s LEU 393 Ca 0.12 -2.02 -0.25 0.00 0.02 0.00 0.00 54.13 51.99 2x05 s LEU 393 Cb -0.12 -1.68 0.04 0.00 0.02 0.00 0.00 46.19 44.45 2x05 s LEU 393 CO 0.02 -0.40 1.32 -0.70 0.02 0.00 0.00 176.35 176.61 2x05 s GLU 394 N 1.00 3.34 3.82 1.70 2.12 -1.26 -1.63 118.70 127.78 2x05 s GLU 394 Ca 0.08 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 54.79 2x05 s GLU 394 Cb -0.20 -4.62 0.00 0.00 0.26 0.00 0.00 34.13 29.57 2x05 s GLU 394 CO -0.06 -2.14 0.00 0.41 -0.54 0.00 0.00 175.26 172.92 2x05 n GLY 395 N 5.91 1.01 2.77 -1.50 0.00 0.14 -4.60 105.19 108.92 2x05 n GLY 395 Ca 0.14 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.44 2x05 n GLY 395 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2x05 n HIS 396 N 0.00 -1.84 -1.76 1.61 8.25 -1.26 -4.78 115.22 115.44 2x05 n HIS 396 Ca 0.00 0.10 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 2x05 n HIS 396 Cb 0.00 -1.34 -0.02 0.00 1.12 0.00 0.00 29.99 29.75 2x05 n HIS 396 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2x05 s ILE 397 N -2.24 2.06 0.55 1.59 1.01 -1.26 -4.78 121.20 118.13 2x05 s ILE 397 Ca 0.12 0.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.74 2x05 s ILE 397 Cb -0.07 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 2x05 s ILE 397 CO 0.14 0.01 0.89 -1.61 0.00 0.00 0.00 174.94 174.37 2x05 s GLU 398 N 0.03 3.47 1.09 2.79 0.41 -1.26 -5.05 118.70 120.18 2x05 s GLU 398 Ca 0.67 0.37 -0.12 0.00 -0.41 0.00 0.00 54.97 55.48 2x05 s GLU 398 Cb -0.48 -2.25 0.23 0.00 -1.78 0.00 0.00 34.13 29.85 2x05 s GLU 398 CO 0.43 -0.41 1.00 -2.30 -0.49 0.00 0.00 175.26 173.48 2x05 n PRO 399 N -2.49 -1.78 -0.25 0.39 -0.02 -1.26 -4.86 135.00 124.74 2x05 n PRO 399 Ca 0.03 -0.48 0.05 0.00 -2.02 0.00 0.00 63.50 61.08 2x05 n PRO 399 Cb 0.55 -2.21 0.16 0.00 -0.02 0.00 0.00 33.50 31.99 2x05 n PRO 399 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2x05 h ASP 400 N -2.40 -0.23 -0.36 2.55 3.45 -1.98 -2.30 116.42 115.15 2x05 h ASP 400 Ca -0.55 0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.09 2x05 h ASP 400 Cb 1.31 0.29 -0.02 0.00 -0.56 0.00 0.00 39.33 40.36 2x05 h ASP 400 CO 0.46 -0.13 0.23 -0.33 -1.57 0.00 0.00 179.24 177.90 2x05 h GLU 401 N 0.15 0.48 -0.73 3.56 3.07 -1.99 0.13 114.58 119.25 2x05 h GLU 401 Ca 0.41 -0.03 0.04 0.00 -0.50 0.00 0.00 59.36 59.27 2x05 h GLU 401 Cb 0.71 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.47 2x05 h GLU 401 CO -0.60 0.33 0.48 0.35 -1.40 0.00 0.00 179.01 178.17 2x05 h PHE 402 N 0.50 0.84 0.14 4.33 3.57 -1.75 -0.11 116.94 124.46 2x05 h PHE 402 Ca 0.13 0.02 -0.30 0.00 3.53 0.00 0.00 57.97 61.36 2x05 h PHE 402 Cb -0.04 -0.28 0.03 0.00 2.79 0.00 0.00 35.95 38.44 2x05 h PHE 402 CO 0.00 0.48 -1.27 0.74 -2.23 0.00 0.00 178.31 176.03 2x05 h PHE 403 N 0.86 0.91 -0.45 0.41 0.04 -0.84 -2.25 116.94 115.61 2x05 h PHE 403 Ca 0.30 -0.59 0.09 0.00 2.80 0.00 0.00 57.97 60.57 2x05 h PHE 403 Cb 0.10 -0.06 -0.09 0.00 2.20 0.00 0.00 35.95 38.09 2x05 h PHE 403 CO -0.00 1.44 -0.21 -0.44 -0.60 0.00 0.00 178.31 178.50 2x05 h ASP 404 N 0.22 -0.73 -0.15 2.17 3.32 -1.23 0.19 116.42 120.22 2x05 h ASP 404 Ca -0.19 0.17 0.03 0.00 0.02 0.00 0.00 57.03 57.06 2x05 h ASP 404 Cb 1.95 0.39 -0.02 0.00 0.22 0.00 0.00 39.33 41.87 2x05 h ASP 404 CO 0.24 -0.24 -0.01 0.40 -1.72 0.00 0.00 179.24 177.91 2x05 h ILE 405 N -0.12 0.89 -0.99 0.35 2.04 -1.00 -0.13 117.51 118.55 2x05 h ILE 405 Ca 0.21 -0.01 0.12 0.00 1.00 0.00 0.00 64.86 66.18 2x05 h ILE 405 Cb 0.45 0.84 -0.08 0.00 -0.74 0.00 0.00 36.82 37.29 2x05 h ILE 405 CO -0.52 0.01 0.62 0.00 0.00 0.00 0.00 178.15 178.26 2x05 h ALA 406 N 1.13 1.56 0.05 1.87 0.00 -1.07 0.11 119.26 122.92 2x05 h ALA 406 Ca 0.07 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2x05 h ALA 406 Cb 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2x05 h ALA 406 CO -0.12 0.20 -0.02 -0.44 0.00 0.00 0.00 179.25 178.86 2x05 h ASP 407 N 0.96 -0.06 0.22 0.00 3.32 0.14 0.35 116.42 121.36 2x05 h ASP 407 Ca 0.49 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.42 2x05 h ASP 407 Cb 0.50 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2x05 h ASP 407 CO -0.25 -0.00 -0.32 0.44 -1.72 0.00 0.00 179.24 177.38 2x05 h ASP 408 N -0.11 0.16 0.64 6.45 3.32 -0.26 -2.59 116.42 124.03 2x05 h ASP 408 Ca -0.01 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2x05 h ASP 408 Cb 0.09 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2x05 h ASP 408 CO 0.01 0.48 -0.54 0.18 -1.72 0.00 0.00 179.24 177.65 2x05 n LEU 409 N -4.12 0.54 -1.54 1.55 4.77 -0.05 -4.82 117.00 113.34 2x05 n LEU 409 Ca -0.01 0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 2x05 n LEU 409 Cb 0.40 -0.23 0.01 0.00 -2.33 0.00 0.00 43.42 41.26 2x05 n LEU 409 CO 0.40 0.06 -0.07 0.61 -1.33 0.00 0.00 177.39 177.06 2x05 n GLY 410 N 1.44 -0.03 3.65 -0.72 0.00 -0.15 -4.20 105.19 105.19 2x05 n GLY 410 Ca 0.05 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 2x05 n GLY 410 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x05 s VAL 411 N -2.74 5.18 0.21 1.61 1.01 -0.07 -0.42 120.40 125.18 2x05 s VAL 411 Ca 0.09 0.69 -0.30 0.00 0.00 0.00 0.00 61.98 62.46 2x05 s VAL 411 Cb -0.04 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 2x05 s VAL 411 CO 0.11 0.21 1.11 -0.76 0.00 0.00 0.00 175.10 175.77 2x05 s LEU 412 N 1.58 4.50 -0.03 3.92 1.43 -0.31 -4.58 118.68 125.21 2x05 s LEU 412 Ca 0.18 2.15 0.06 0.00 -1.03 0.00 0.00 54.13 55.49 2x05 s LEU 412 Cb -0.15 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 2x05 s LEU 412 CO 0.08 -0.21 -0.20 0.42 0.23 0.00 0.00 176.35 176.68 2x05 s THR 413 N -0.48 2.60 -0.66 5.49 -4.23 0.34 -0.52 115.64 118.19 2x05 s THR 413 Ca 0.48 -0.93 0.05 0.00 -1.18 0.00 0.00 61.69 60.11 2x05 s THR 413 Cb -0.30 -1.98 0.20 0.00 1.34 0.00 0.00 72.50 71.75 2x05 s THR 413 CO 0.37 0.56 0.57 0.23 -0.54 0.00 0.00 174.62 175.81 2x05 n MET 414 N 2.29 1.94 -1.62 3.99 2.81 0.12 -1.01 117.12 125.65 2x05 n MET 414 Ca -0.17 -4.44 -0.30 0.00 -1.81 0.00 0.00 57.70 50.98 2x05 n MET 414 Cb 0.52 -2.21 0.07 0.00 -0.71 0.00 0.00 33.22 30.89 2x05 n MET 414 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2x05 s PRO 415 N -1.71 2.45 0.00 0.03 0.04 -1.24 -1.44 135.00 133.14 2x05 s PRO 415 Ca 0.31 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.04 2x05 s PRO 415 Cb 0.03 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2x05 s PRO 415 CO -0.12 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 175.96 2x05 n GLY 416 N -2.23 -1.41 3.86 0.56 0.00 -0.65 -1.17 105.19 104.16 2x05 n GLY 416 Ca 0.07 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 2x05 n GLY 416 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2x05 s TRP 417 N -2.14 3.23 0.28 1.61 0.23 -0.31 0.23 118.94 122.08 2x05 s TRP 417 Ca 0.00 1.13 0.04 0.00 -2.03 0.00 0.00 56.10 55.24 2x05 s TRP 417 Cb 0.00 -3.03 -0.03 0.00 0.03 0.00 0.00 33.47 30.45 2x05 s TRP 417 CO 0.00 -1.26 0.42 -1.83 0.96 0.00 0.00 176.95 175.24 2x05 s GLU 418 N -5.27 3.39 0.56 4.98 -1.05 -1.26 -3.71 118.70 116.33 2x05 s GLU 418 Ca 0.58 -0.71 -0.02 0.00 -0.15 0.00 0.00 54.97 54.67 2x05 s GLU 418 Cb -0.12 -2.82 0.12 0.00 -0.44 0.00 0.00 34.13 30.86 2x05 s GLU 418 CO 0.53 0.29 0.77 0.00 0.95 0.00 0.00 175.26 177.80 2x05 n ASP 421 N -0.58 0.00 -0.32 0.00 5.68 -1.09 -4.51 116.55 115.73 2x05 n ASP 421 Ca -0.16 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.28 2x05 n ASP 421 Cb 0.58 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.90 2x05 n ASP 421 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2x05 h LYS 422 N 0.00 0.40 -0.81 0.11 1.63 -1.09 -2.06 116.57 114.75 2x05 h LYS 422 Ca 0.00 -0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.85 2x05 h LYS 422 Cb 0.00 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 31.49 2x05 h LYS 422 CO 0.00 0.26 0.53 -1.49 -3.45 0.00 0.00 179.45 175.30 2x05 h TRP 423 N 0.41 0.86 -0.50 1.91 4.06 -1.83 -0.82 115.95 120.03 2x05 h TRP 423 Ca 0.60 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.57 2x05 h TRP 423 Cb 1.18 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 29.06 2x05 h TRP 423 CO -0.11 0.43 0.00 0.39 -3.56 0.00 0.00 178.44 175.59 2x05 n GLU 424 N -4.50 3.09 0.24 0.49 1.02 -0.83 -4.66 120.64 115.49 2x05 n GLU 424 Ca 0.13 -2.52 0.08 0.00 -0.02 0.00 0.00 57.16 54.83 2x05 n GLU 424 Cb 0.26 -1.58 0.58 0.00 -0.02 0.00 0.00 31.44 30.69 2x05 n GLU 424 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2x05 h GLY 425 N 3.04 0.00 0.79 0.62 0.00 -0.51 0.88 103.07 107.89 2x05 h GLY 425 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2x05 h GLY 425 CO 0.09 0.00 -0.01 -0.18 0.00 0.00 0.00 176.54 176.44 2x05 n GLN 426 N -4.02 1.04 0.00 4.80 -0.06 -1.26 -3.50 117.38 114.38 2x05 n GLN 426 Ca -0.02 -0.18 0.00 0.00 -2.00 0.00 0.00 57.00 54.80 2x05 n GLN 426 Cb 0.26 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.94 2x05 n GLN 426 CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 2x05 n VAL 427 N -0.82 0.00 -0.81 1.69 0.24 -0.34 -4.93 118.33 113.36 2x05 n VAL 427 Ca 0.22 -0.11 0.07 0.00 -2.04 0.00 0.00 64.34 62.48 2x05 n VAL 427 Cb 0.17 1.08 0.39 0.00 -1.47 0.00 0.00 33.84 34.02 2x05 n VAL 427 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2x05 n ASN 428 N -0.19 5.53 0.00 -1.34 0.23 0.16 -5.01 115.26 114.63 2x05 n ASN 428 Ca 0.00 -2.87 0.00 0.00 -0.53 0.00 0.00 54.58 51.18 2x05 n ASN 428 Cb 0.02 -0.68 0.00 0.00 -2.08 0.00 0.00 39.78 37.04 2x05 n ASN 428 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2x05 n GLY 429 N 0.63 3.02 0.00 4.83 0.00 -1.26 -2.01 105.19 110.41 2x05 n GLY 429 Ca 0.27 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 46.19 2x05 n GLY 429 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2x05 n GLU 430 N 14.00 0.87 -2.12 1.61 -0.58 -1.26 -4.81 120.64 128.34 2x05 n GLU 430 Ca 0.00 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.38 2x05 n GLU 430 Cb 0.00 -1.32 0.01 0.00 -0.57 0.00 0.00 31.44 29.56 2x05 n GLU 430 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2x05 s GLU 431 N -2.00 3.33 0.43 3.49 2.56 -0.85 -4.96 118.70 120.70 2x05 s GLU 431 Ca 0.27 1.81 -0.22 0.00 0.00 0.00 0.00 54.97 56.83 2x05 s GLU 431 Cb 0.12 -2.13 -0.13 0.00 2.00 0.00 0.00 34.13 33.99 2x05 s GLU 431 CO 0.21 -0.91 0.48 1.63 -0.56 0.00 0.00 175.26 176.11 2x05 n LYS 432 N -1.11 0.49 0.00 4.30 4.01 -1.26 -4.86 118.16 119.74 2x05 n LYS 432 Ca 0.11 0.18 0.00 0.00 -0.51 0.00 0.00 58.31 58.09 2x05 n LYS 432 Cb 0.49 -1.45 0.00 0.00 -0.51 0.00 0.00 35.03 33.55 2x05 n LYS 432 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2x05 n GLY 433 N 1.86 3.45 3.83 0.72 0.00 -1.26 -2.65 105.19 111.13 2x05 n GLY 433 Ca 0.11 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 2x05 n GLY 433 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x05 s GLU 434 N -5.38 4.06 0.67 1.61 2.02 -0.01 -4.47 118.70 117.21 2x05 s GLU 434 Ca 0.00 0.58 -0.17 0.00 0.02 0.00 0.00 54.97 55.40 2x05 s GLU 434 Cb 0.00 -3.11 -0.02 0.00 0.10 0.00 0.00 34.13 31.10 2x05 s GLU 434 CO 0.00 0.58 1.02 -2.30 0.02 0.00 0.00 175.26 174.58 2x05 n PRO 435 N 1.36 0.74 -3.02 0.39 -0.02 -1.23 -4.14 135.00 129.08 2x05 n PRO 435 Ca -0.09 0.30 -0.39 0.00 -2.02 0.00 0.00 63.50 61.31 2x05 n PRO 435 Cb 0.51 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 2x05 n PRO 435 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2x05 s TRP 436 N -1.63 3.85 0.39 6.00 0.52 -1.26 -4.89 118.94 121.92 2x05 s TRP 436 Ca 0.76 1.56 0.08 0.00 0.02 0.00 0.00 56.10 58.52 2x05 s TRP 436 Cb -0.38 -2.72 -0.01 0.00 -1.15 0.00 0.00 33.47 29.22 2x05 s TRP 436 CO 0.47 0.48 0.47 0.14 0.02 0.00 0.00 176.95 178.53 2x05 s VAL 437 N -1.23 3.17 0.52 4.03 -7.23 -1.26 -5.01 120.40 113.39 2x05 s VAL 437 Ca 0.37 -1.14 0.31 0.00 -1.81 0.00 0.00 61.98 59.71 2x05 s VAL 437 Cb -0.22 -3.10 0.48 0.00 0.56 0.00 0.00 36.38 34.11 2x05 s VAL 437 CO 0.25 -0.05 1.87 -0.33 -0.31 0.00 0.00 175.10 176.53 2x05 h GLU 438 N 0.87 0.05 0.00 4.82 4.39 -2.03 -1.46 114.58 121.21 2x05 h GLU 438 Ca -0.42 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.24 2x05 h GLU 438 Cb 1.27 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2x05 h GLU 438 CO 0.51 0.03 -0.22 0.66 -1.16 0.00 0.00 179.01 178.84 2x05 h SER 439 N 0.05 0.00 -0.92 1.42 4.64 -2.03 -3.16 113.55 113.56 2x05 h SER 439 Ca 0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.77 2x05 h SER 439 Cb 1.73 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.78 2x05 h SER 439 CO -0.03 0.15 0.53 0.44 -0.87 0.00 0.00 176.83 177.06 2x05 h ASP 440 N 0.00 1.12 -0.78 4.97 3.32 -1.65 -3.27 116.42 120.12 2x05 h ASP 440 Ca -0.00 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 56.98 2x05 h ASP 440 Cb 1.12 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.35 2x05 h ASP 440 CO 0.02 0.88 0.51 1.88 -1.72 0.00 0.00 179.24 180.81 2x05 h TYR 441 N 1.27 0.97 0.00 4.55 -1.99 -1.65 -1.20 116.97 118.93 2x05 h TYR 441 Ca 0.33 0.02 -0.14 0.00 2.00 0.00 0.00 58.73 60.94 2x05 h TYR 441 Cb -0.02 -0.33 -0.02 0.00 2.00 0.00 0.00 36.73 38.36 2x05 h TYR 441 CO 0.01 0.60 -0.65 -1.35 -0.00 0.00 0.00 178.16 176.76 2x05 h PRO 442 N 1.04 0.00 -0.23 4.88 0.11 -1.75 -2.42 132.00 133.62 2x05 h PRO 442 Ca 0.29 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.40 2x05 h PRO 442 Cb -0.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 2x05 h PRO 442 CO -0.08 0.65 0.11 0.82 -0.21 0.00 0.00 178.00 179.30 2x05 h ILE 443 N 0.00 1.14 -0.71 4.15 1.08 -1.49 -1.66 117.51 120.02 2x05 h ILE 443 Ca -0.01 -0.38 -0.06 0.00 -0.39 0.00 0.00 64.86 64.02 2x05 h ILE 443 Cb 1.29 0.96 -0.03 0.00 -3.07 0.00 0.00 36.82 35.98 2x05 h ILE 443 CO 0.08 0.13 0.19 0.00 -0.69 0.00 0.00 178.15 177.87 2x05 h ALA 444 N 0.98 0.99 -0.09 1.87 0.00 -1.18 0.27 119.26 122.10 2x05 h ALA 444 Ca 0.08 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 2x05 h ALA 444 Cb 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2x05 h ALA 444 CO -0.01 0.66 -0.74 -0.22 0.00 0.00 0.00 179.25 178.94 2x05 h LYS 445 N 1.07 0.46 -0.08 0.00 3.64 -1.42 -1.59 116.57 118.65 2x05 h LYS 445 Ca 0.23 -0.38 -0.18 0.00 -1.27 0.00 0.00 60.65 59.05 2x05 h LYS 445 Cb 0.34 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2x05 h LYS 445 CO -0.00 1.01 -0.71 0.00 -2.27 0.00 0.00 179.45 177.48 2x05 h ALA 446 N 0.88 0.62 -0.71 5.00 0.00 -1.09 -1.31 119.26 122.65 2x05 h ALA 446 Ca -0.03 -0.60 0.07 0.00 0.00 0.00 0.00 54.91 54.34 2x05 h ALA 446 Cb 1.32 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 2x05 h ALA 446 CO 0.13 0.76 0.40 0.77 0.00 0.00 0.00 179.25 181.31 2x05 h SER 447 N 0.27 0.59 -0.34 0.00 0.02 -0.31 -0.15 113.55 113.62 2x05 h SER 447 Ca -0.03 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 2x05 h SER 447 Cb 1.28 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 2x05 h SER 447 CO 0.12 0.37 -0.24 -0.03 -1.14 0.00 0.00 176.83 175.91 2x05 h MET 448 N 0.72 0.84 -0.05 3.45 -1.53 -1.03 -0.20 114.93 117.13 2x05 h MET 448 Ca 0.32 -0.36 -0.01 0.00 -3.44 0.00 0.00 59.70 56.22 2x05 h MET 448 Cb 0.22 -0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 31.24 2x05 h MET 448 CO -0.20 0.99 0.00 0.35 0.14 0.00 0.00 176.91 178.20 2x05 h PHE 449 N 0.73 0.09 -0.56 1.39 3.57 -0.87 0.16 116.94 121.45 2x05 h PHE 449 Ca 0.09 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.62 2x05 h PHE 449 Cb 0.78 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 2x05 h PHE 449 CO 0.04 0.36 0.30 0.77 -2.23 0.00 0.00 178.31 177.56 2x05 h SER 450 N -0.21 0.45 -0.51 0.41 0.02 -0.90 0.17 113.55 112.97 2x05 h SER 450 Ca 0.01 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 2x05 h SER 450 Cb 0.33 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2x05 h SER 450 CO 0.00 0.30 -0.09 -0.33 -1.14 0.00 0.00 176.83 175.57 2x05 h GLU 451 N 0.58 0.96 -0.92 3.45 4.39 -0.97 -0.55 114.58 121.51 2x05 h GLU 451 Ca 0.24 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 2x05 h GLU 451 Cb 0.12 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 2x05 h GLU 451 CO -0.15 1.02 0.55 0.00 -1.16 0.00 0.00 179.01 179.27 2x05 h ALA 452 N 0.91 1.18 -0.20 3.43 0.00 -0.06 -0.47 119.26 124.04 2x05 h ALA 452 Ca 0.13 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2x05 h ALA 452 Cb 0.65 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2x05 h ALA 452 CO 0.04 0.64 -0.58 1.49 0.00 0.00 0.00 179.25 180.84 2x05 h GLU 453 N 1.28 0.64 -0.50 0.00 4.81 -0.59 -2.00 114.58 118.21 2x05 h GLU 453 Ca 0.33 -0.42 -0.10 0.00 -0.13 0.00 0.00 59.36 59.04 2x05 h GLU 453 Cb -0.04 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 2x05 h GLU 453 CO -0.06 1.04 -0.07 -0.09 -0.73 0.00 0.00 179.01 179.10 2x05 h ARG 454 N 0.48 0.89 0.00 1.92 2.43 -0.77 -3.36 114.38 115.98 2x05 h ARG 454 Ca 0.00 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2x05 h ARG 454 Cb 1.15 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2x05 h ARG 454 CO 0.11 0.93 -1.52 1.28 -1.51 0.00 0.00 179.97 179.27 2x05 n LEU 455 N -4.17 0.39 0.29 3.80 4.77 -0.21 -4.55 117.00 117.31 2x05 n LEU 455 Ca 0.02 -0.05 0.13 0.00 -0.03 0.00 0.00 56.01 56.09 2x05 n LEU 455 Cb 0.36 -0.03 0.84 0.00 -2.33 0.00 0.00 43.42 42.27 2x05 n LEU 455 CO 0.43 0.03 1.10 0.08 -1.33 0.00 0.00 177.39 177.70 2x05 h ARG 456 N 0.00 0.00 -0.45 3.23 0.11 -1.51 -2.62 114.38 113.14 2x05 h ARG 456 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2x05 h ARG 456 Cb 0.86 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.94 2x05 h ARG 456 CO 0.00 0.02 0.00 -0.25 0.10 0.00 0.00 179.97 179.84 2x05 n ASP 457 N -3.96 4.06 -4.41 0.08 9.92 -1.26 -4.88 116.55 116.10 2x05 n ASP 457 Ca -0.03 -2.51 -0.43 0.00 -0.53 0.00 0.00 54.79 51.29 2x05 n ASP 457 Cb 0.10 -0.48 -0.10 0.00 -0.64 0.00 0.00 41.12 40.01 2x05 n ASP 457 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 2x05 s HIS 458 N -1.94 3.25 0.38 1.24 3.76 -0.99 -3.93 115.29 117.06 2x05 s HIS 458 Ca 0.41 -0.83 0.39 0.00 -0.15 0.00 0.00 55.06 54.88 2x05 s HIS 458 Cb 0.28 -2.75 1.98 0.00 1.11 0.00 0.00 32.58 33.20 2x05 s HIS 458 CO 0.17 -0.68 2.17 -1.00 -0.85 0.00 0.00 174.74 174.56 2x05 h PRO 459 N 8.61 0.00 0.00 8.40 0.13 -1.89 -2.11 132.00 145.14 2x05 h PRO 459 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2x05 h PRO 459 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2x05 h PRO 459 CO 0.76 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.19 2x05 h SER 460 N 0.00 0.00 -3.13 1.44 4.64 -1.87 -3.44 113.55 111.19 2x05 h SER 460 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 2x05 h SER 460 Cb 0.14 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.19 2x05 h SER 460 CO 0.00 0.00 0.69 -0.69 -0.87 0.00 0.00 176.83 175.96 2x05 s VAL 461 N -3.50 4.53 -0.40 0.95 1.01 -0.80 0.13 120.40 122.32 2x05 s VAL 461 Ca 0.03 1.83 0.13 0.00 0.00 0.00 0.00 61.98 63.96 2x05 s VAL 461 Cb 0.09 -4.18 -0.16 0.00 0.00 0.00 0.00 36.38 32.14 2x05 s VAL 461 CO 0.51 -0.05 0.45 2.30 0.00 0.00 0.00 175.10 178.31 2x05 n ILE 462 N 4.80 0.00 -3.60 2.22 -5.35 -0.18 -4.91 119.36 112.35 2x05 n ILE 462 Ca 0.11 -0.24 0.01 0.00 -0.27 0.00 0.00 62.75 62.36 2x05 n ILE 462 Cb 0.47 0.73 -0.01 0.00 -1.74 0.00 0.00 39.64 39.10 2x05 n ILE 462 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2x05 s SER 463 N -2.61 -0.05 -0.02 7.28 1.04 -1.26 -3.96 113.70 114.12 2x05 s SER 463 Ca 0.02 -0.07 0.07 0.00 0.48 0.00 0.00 55.95 56.45 2x05 s SER 463 Cb 0.09 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.30 2x05 s SER 463 CO 0.52 -0.20 -0.24 0.12 0.98 0.00 0.00 173.24 174.42 2x05 s PHE 464 N -2.30 2.16 -0.37 5.02 5.36 -0.75 -3.63 117.98 123.48 2x05 s PHE 464 Ca 0.13 -0.41 -0.14 0.00 -0.96 0.00 0.00 56.93 55.55 2x05 s PHE 464 Cb 0.04 -1.39 -0.00 0.00 -0.34 0.00 0.00 43.02 41.33 2x05 s PHE 464 CO -0.05 -0.04 0.29 -1.01 -1.46 0.00 0.00 175.22 172.96 2x05 s HIS 465 N -0.56 3.22 -1.33 10.12 3.76 -0.31 -0.81 115.29 129.38 2x05 s HIS 465 Ca 0.09 -0.30 0.28 0.00 -0.15 0.00 0.00 55.06 54.98 2x05 s HIS 465 Cb -0.09 -2.57 1.02 0.00 1.11 0.00 0.00 32.58 32.05 2x05 s HIS 465 CO -0.01 -0.46 1.75 0.44 -0.85 0.00 0.00 174.74 175.61 2x05 n ILE 466 N 5.17 0.00 -3.86 0.60 -5.35 -0.91 -1.16 119.36 113.85 2x05 n ILE 466 Ca -0.11 -0.03 -0.11 0.00 -0.27 0.00 0.00 62.75 62.23 2x05 n ILE 466 Cb 0.49 -0.08 -0.09 0.00 -1.74 0.00 0.00 39.64 38.22 2x05 n ILE 466 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2x05 s GLY 467 N -2.74 0.05 0.00 3.28 0.00 -0.87 -4.50 107.32 102.54 2x05 s GLY 467 Ca 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.65 2x05 s GLY 467 CO 0.55 -0.44 0.00 -1.26 0.00 0.00 0.00 173.10 171.95 2x05 n SER 468 N 0.85 0.00 -0.00 1.64 2.88 -1.26 -3.22 113.62 114.50 2x05 n SER 468 Ca -0.20 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.17 2x05 n SER 468 Cb 0.58 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.94 2x05 n SER 468 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2x05 h ASP 469 N 0.00 0.61 -4.22 -3.46 3.45 -1.93 0.15 116.42 111.02 2x05 h ASP 469 Ca 0.00 -0.72 -0.67 0.00 0.43 0.00 0.00 57.03 56.08 2x05 h ASP 469 Cb 0.00 -0.18 -0.31 0.00 -0.56 0.00 0.00 39.33 38.28 2x05 h ASP 469 CO 0.00 1.24 -0.88 -0.36 -1.57 0.00 0.00 179.24 177.67 2x05 s PHE 470 N -3.39 2.24 0.62 4.55 0.08 -1.26 -4.54 117.98 116.28 2x05 s PHE 470 Ca -0.13 -0.57 -0.17 0.00 0.12 0.00 0.00 56.93 56.18 2x05 s PHE 470 Cb 0.05 -1.46 -0.02 0.00 -0.57 0.00 0.00 43.02 41.01 2x05 s PHE 470 CO 0.83 -0.14 1.17 0.00 -0.10 0.00 0.00 175.22 176.98 2x05 s ALA 471 N -0.30 2.49 0.87 5.36 0.00 -1.26 -4.59 121.76 124.33 2x05 s ALA 471 Ca 0.02 0.84 -0.10 0.00 0.00 0.00 0.00 51.96 52.71 2x05 s ALA 471 Cb -0.12 -3.40 0.12 0.00 0.00 0.00 0.00 23.12 19.72 2x05 s ALA 471 CO 0.02 -1.21 1.11 -1.25 0.00 0.00 0.00 175.76 174.42 2x05 s PRO 472 N -3.60 1.43 1.03 0.00 0.04 -1.26 -4.95 135.00 127.70 2x05 s PRO 472 Ca 0.73 1.29 -0.15 0.00 0.04 0.00 0.00 61.00 62.92 2x05 s PRO 472 Cb -0.26 -1.79 0.21 0.00 0.04 0.00 0.00 34.50 32.69 2x05 s PRO 472 CO 0.36 -2.26 1.15 0.16 0.04 0.00 0.00 177.00 176.45 2x05 s ASP 473 N -3.02 2.41 0.19 6.66 1.47 -1.26 -4.39 116.67 118.72 2x05 s ASP 473 Ca 0.64 0.76 -0.12 0.00 1.18 0.00 0.00 52.55 55.01 2x05 s ASP 473 Cb -0.20 -1.14 0.10 0.00 -0.34 0.00 0.00 42.92 41.34 2x05 s ASP 473 CO 0.57 -3.21 1.83 -0.09 0.68 0.00 0.00 175.17 174.95 2x05 h ARG 474 N -1.96 0.83 0.08 2.11 2.43 -1.98 0.56 114.38 116.46 2x05 h ARG 474 Ca -0.48 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 58.62 2x05 h ARG 474 Cb 1.30 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2x05 h ARG 474 CO 0.48 0.59 -0.04 -0.09 -1.51 0.00 0.00 179.97 179.40 2x05 h ARG 475 N 0.84 -0.10 -0.13 0.20 2.43 -1.99 0.25 114.38 115.88 2x05 h ARG 475 Ca 0.22 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 2x05 h ARG 475 Cb -0.04 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2x05 h ARG 475 CO -0.04 0.02 -0.01 0.82 -1.51 0.00 0.00 179.97 179.25 2x05 h ILE 476 N -0.20 1.26 -0.18 1.20 2.04 -1.90 -2.31 117.51 117.42 2x05 h ILE 476 Ca -0.01 -0.86 0.04 0.00 1.00 0.00 0.00 64.86 65.03 2x05 h ILE 476 Cb 0.17 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 2x05 h ILE 476 CO 0.02 0.25 -0.09 -0.08 0.00 0.00 0.00 178.15 178.25 2x05 h GLU 477 N -0.04 -0.07 -0.72 2.37 4.81 -0.81 -0.12 114.58 120.01 2x05 h GLU 477 Ca 0.04 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.36 2x05 h GLU 477 Cb 0.39 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.71 2x05 h GLU 477 CO 0.01 -0.05 0.36 0.37 -0.73 0.00 0.00 179.01 178.98 2x05 h GLN 478 N -0.07 0.61 -0.15 1.92 5.75 -0.46 0.16 115.11 122.86 2x05 h GLN 478 Ca 0.10 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.61 2x05 h GLN 478 Cb 0.22 -0.14 -0.05 0.00 1.07 0.00 0.00 27.48 28.59 2x05 h GLN 478 CO -0.23 0.40 -0.15 0.78 -2.65 0.00 0.00 178.83 176.98 2x05 h GLY 479 N 0.62 -0.06 0.99 2.39 0.00 -0.85 0.86 103.07 107.03 2x05 h GLY 479 Ca 0.35 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.86 2x05 h GLY 479 CO -0.26 -0.15 0.00 -0.97 0.00 0.00 0.00 176.54 175.16 2x05 h TYR 480 N -0.17 0.01 -0.72 5.60 0.05 -0.02 -0.70 116.97 121.01 2x05 h TYR 480 Ca 0.10 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.92 2x05 h TYR 480 Cb 0.32 -0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.02 2x05 h TYR 480 CO -0.27 0.01 0.47 -0.07 -1.05 0.00 0.00 178.16 177.25 2x05 h LEU 481 N 0.00 0.74 -0.20 3.88 3.38 -0.64 -0.70 115.31 121.78 2x05 h LEU 481 Ca 0.00 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2x05 h LEU 481 Cb 0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2x05 h LEU 481 CO -0.00 0.51 -0.08 0.44 0.09 0.00 0.00 178.44 179.39 2x05 h ASP 482 N 0.86 0.41 -0.53 -0.43 3.32 -0.45 -1.78 116.42 117.82 2x05 h ASP 482 Ca 0.29 -0.40 0.10 0.00 0.02 0.00 0.00 57.03 57.04 2x05 h ASP 482 Cb 0.08 -0.11 -0.08 0.00 0.22 0.00 0.00 39.33 39.43 2x05 h ASP 482 CO -0.08 0.72 0.06 0.00 -1.72 0.00 0.00 179.24 178.21 2x05 h ALA 483 N 0.70 0.56 -0.64 3.45 0.00 -0.67 -1.16 119.26 121.51 2x05 h ALA 483 Ca 0.05 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2x05 h ALA 483 Cb 0.56 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2x05 h ALA 483 CO 0.03 -0.35 0.24 0.52 0.00 0.00 0.00 179.25 179.68 2x05 h MET 484 N 0.18 0.94 -0.18 0.00 2.86 -1.04 -0.77 114.93 116.92 2x05 h MET 484 Ca 0.27 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 2x05 h MET 484 Cb 0.40 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2x05 h MET 484 CO -0.40 0.78 -0.07 -0.22 1.06 0.00 0.00 176.91 178.07 2x05 h LYS 485 N 0.92 0.36 -0.01 1.72 3.64 -0.87 0.23 116.57 122.57 2x05 h LYS 485 Ca 0.21 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2x05 h LYS 485 Cb 0.21 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2x05 h LYS 485 CO -0.02 0.65 0.01 0.00 -2.27 0.00 0.00 179.45 177.82 2x05 h ALA 486 N 0.70 1.88 -0.13 5.00 0.00 -1.08 -2.21 119.26 123.43 2x05 h ALA 486 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2x05 h ALA 486 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2x05 h ALA 486 CO 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.26 2x05 n ALA 487 N -2.48 2.54 -2.36 0.00 0.00 -0.31 -4.92 120.51 112.98 2x05 n ALA 487 Ca -0.03 -0.48 -0.10 0.00 0.00 0.00 0.00 53.44 52.83 2x05 n ALA 487 Cb 0.09 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 2x05 n ALA 487 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2x05 n ASP 488 N 0.21 -3.24 -4.58 0.00 8.00 -0.67 -4.73 116.55 111.54 2x05 n ASP 488 Ca 0.17 0.26 -0.42 0.00 0.71 0.00 0.00 54.79 55.51 2x05 n ASP 488 Cb 0.32 -2.81 -0.03 0.00 -0.02 0.00 0.00 41.12 38.58 2x05 n ASP 488 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2x05 s PHE 489 N -2.43 2.15 -0.79 1.24 5.36 -0.02 -4.86 117.98 118.63 2x05 s PHE 489 Ca 0.00 0.58 0.16 0.00 -0.96 0.00 0.00 56.93 56.71 2x05 s PHE 489 Cb 0.00 -4.30 0.61 0.00 -0.34 0.00 0.00 43.02 38.99 2x05 s PHE 489 CO 0.00 -2.17 1.52 1.28 -1.46 0.00 0.00 175.22 174.39 2x05 n LEU 490 N 9.95 4.29 -4.90 6.12 4.77 -1.26 -4.65 117.00 131.33 2x05 n LEU 490 Ca 0.16 -2.54 -0.29 0.00 -0.03 0.00 0.00 56.01 53.31 2x05 n LEU 490 Cb 0.49 -0.51 0.02 0.00 -2.33 0.00 0.00 43.42 41.09 2x05 n LEU 490 CO 0.70 0.75 0.60 -0.76 -1.33 0.00 0.00 177.39 177.36 2x05 s LEU 491 N -2.00 3.26 0.34 2.23 1.43 -1.26 -4.99 118.68 117.68 2x05 s LEU 491 Ca 0.44 1.02 -0.29 0.00 -1.03 0.00 0.00 54.13 54.27 2x05 s LEU 491 Cb 0.30 -3.92 -0.10 0.00 0.03 0.00 0.00 46.19 42.50 2x05 s LEU 491 CO 0.18 -0.96 1.36 -2.84 0.23 0.00 0.00 176.35 174.32 2x05 s PRO 492 N -5.05 4.29 -0.27 1.29 0.02 -1.25 -4.81 135.00 129.21 2x05 s PRO 492 Ca 0.53 2.31 -0.09 0.00 0.02 0.00 0.00 61.00 63.77 2x05 s PRO 492 Cb -0.11 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.33 2x05 s PRO 492 CO 0.48 -0.29 0.13 0.08 -0.33 0.00 0.00 177.00 177.08 2x05 s VAL 493 N -1.05 4.71 -0.31 3.83 1.01 -1.26 -1.81 120.40 125.52 2x05 s VAL 493 Ca 0.51 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.28 2x05 s VAL 493 Cb -0.41 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 2x05 s VAL 493 CO 0.55 0.26 0.17 -0.63 0.00 0.00 0.00 175.10 175.45 2x05 s ILE 494 N 1.67 4.80 0.27 2.22 -1.09 0.01 -4.98 121.20 124.09 2x05 s ILE 494 Ca 0.06 -0.32 -0.02 0.00 -2.23 0.00 0.00 60.65 58.14 2x05 s ILE 494 Cb -0.16 -3.43 0.27 0.00 -1.58 0.00 0.00 42.46 37.56 2x05 s ILE 494 CO 0.07 0.07 1.88 1.55 -1.23 0.00 0.00 174.94 177.28 2x05 h PRO 495 N 8.38 1.13 -3.37 2.79 0.13 -1.88 -2.42 132.00 136.76 2x05 h PRO 495 Ca -0.32 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 64.71 2x05 h PRO 495 Cb 1.15 -0.25 -0.10 0.00 0.13 0.00 0.00 31.00 31.93 2x05 h PRO 495 CO 0.61 0.75 -0.01 0.00 -0.23 0.00 0.00 178.00 179.12 2x05 s ALA 496 N -6.02 -0.82 -0.51 -0.56 0.00 -1.25 -2.04 121.76 110.55 2x05 s ALA 496 Ca -0.12 -0.31 0.23 0.00 0.00 0.00 0.00 51.96 51.77 2x05 s ALA 496 Cb 0.20 0.86 0.21 0.00 0.00 0.00 0.00 23.12 24.38 2x05 s ALA 496 CO 0.81 -0.79 1.21 0.00 0.00 0.00 0.00 175.76 176.99 2x05 h ALA 497 N 2.24 0.53 -4.30 0.00 0.00 -0.94 -3.44 119.26 113.34 2x05 h ALA 497 Ca -0.29 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.41 2x05 h ALA 497 Cb 1.26 0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.09 2x05 h ALA 497 CO 0.38 0.00 0.08 -1.13 0.00 0.00 0.00 179.25 178.58 2x05 n SER 498 N -2.29 0.51 -0.03 0.00 3.41 -1.01 -3.31 113.62 110.90 2x05 n SER 498 Ca 0.02 -1.47 0.16 0.00 -0.26 0.00 0.00 58.87 57.32 2x05 n SER 498 Cb 0.47 -0.33 0.92 0.00 -0.26 0.00 0.00 64.21 65.02 2x05 n SER 498 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x05 n ALA 499 N -3.04 2.68 -2.20 7.33 0.00 -1.19 -4.35 120.51 119.73 2x05 n ALA 499 Ca -0.08 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 2x05 n ALA 499 Cb 0.27 -1.50 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 2x05 n ALA 499 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2x05 s ARG 500 N -2.00 4.35 0.25 0.00 0.52 -1.26 -4.61 118.95 116.20 2x05 s ARG 500 Ca 0.47 2.01 -0.05 0.00 -0.52 0.00 0.00 55.73 57.64 2x05 s ARG 500 Cb 0.22 -3.26 -0.05 0.00 0.52 0.00 0.00 34.95 32.37 2x05 s ARG 500 CO 0.37 -0.38 0.50 -1.25 0.02 0.00 0.00 175.30 174.56 2x05 s PRO 501 N 0.98 3.64 0.50 3.54 0.04 -1.26 -4.34 135.00 138.09 2x05 s PRO 501 Ca 0.63 -0.02 -0.02 0.00 0.04 0.00 0.00 61.00 61.63 2x05 s PRO 501 Cb -0.35 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.49 2x05 s PRO 501 CO 0.31 0.29 0.75 -1.54 0.04 0.00 0.00 177.00 176.85 2x05 s SER 502 N -2.94 5.71 0.26 6.66 1.04 -0.89 -4.70 113.70 118.84 2x05 s SER 502 Ca 0.43 0.40 0.11 0.00 0.48 0.00 0.00 55.95 57.37 2x05 s SER 502 Cb -0.11 -1.53 0.27 0.00 0.10 0.00 0.00 66.02 64.75 2x05 s SER 502 CO 0.28 -0.85 1.55 -0.65 0.98 0.00 0.00 173.24 174.54 2x05 h PRO 503 N 0.19 0.00 0.00 4.02 0.11 -1.88 -3.12 132.00 131.32 2x05 h PRO 503 Ca -0.46 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.45 2x05 h PRO 503 Cb 1.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 2x05 h PRO 503 CO 0.58 0.65 -1.53 -0.89 -0.21 0.00 0.00 178.00 176.60 2x05 n ILE 504 N -3.61 1.50 0.16 4.15 5.41 -1.26 -4.56 119.36 121.14 2x05 n ILE 504 Ca -0.01 -0.06 0.02 0.00 1.00 0.00 0.00 62.75 63.70 2x05 n ILE 504 Cb 0.68 -2.14 0.23 0.00 -0.71 0.00 0.00 39.64 37.70 2x05 n ILE 504 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 2x05 h THR 505 N -1.00 1.19 0.00 1.39 2.02 -1.98 -3.49 112.91 111.04 2x05 h THR 505 Ca -0.30 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 64.99 2x05 h THR 505 Cb 1.20 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.67 2x05 h THR 505 CO -0.18 0.50 0.00 0.61 0.37 0.00 0.00 175.52 176.82 2x05 n GLY 506 N 0.28 0.36 3.77 2.16 0.00 -1.18 -4.96 105.19 105.63 2x05 n GLY 506 Ca -0.01 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 2x05 n GLY 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x05 s ALA 507 N -2.00 3.09 0.09 4.61 0.00 -1.26 -2.10 121.76 124.19 2x05 s ALA 507 Ca 0.00 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 52.80 2x05 s ALA 507 Cb 0.00 -3.33 -0.25 0.00 0.00 0.00 0.00 23.12 19.54 2x05 s ALA 507 CO 0.00 -0.42 1.19 0.66 0.00 0.00 0.00 175.76 177.20 2x05 h SER 508 N 2.46 0.28 -1.20 0.00 4.64 -1.81 -3.46 113.55 114.46 2x05 h SER 508 Ca -0.49 -0.30 -0.30 0.00 -0.47 0.00 0.00 61.79 60.23 2x05 h SER 508 Cb 1.23 -0.09 -0.08 0.00 -0.31 0.00 0.00 62.40 63.14 2x05 h SER 508 CO 0.62 1.23 -0.31 0.61 -0.87 0.00 0.00 176.83 178.11 2x05 n GLY 509 N 1.45 0.89 3.55 -0.77 0.00 -1.26 -4.63 105.19 104.42 2x05 n GLY 509 Ca -0.06 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 2x05 n GLY 509 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2x05 s MET 510 N -3.78 1.84 0.02 1.61 -1.94 -1.26 -1.23 119.30 114.56 2x05 s MET 510 Ca 0.00 -2.03 0.01 0.00 -1.71 0.00 0.00 55.69 51.96 2x05 s MET 510 Cb 0.00 -1.35 -0.02 0.00 2.01 0.00 0.00 34.83 35.48 2x05 s MET 510 CO 0.00 -0.10 -0.05 -1.59 -0.01 0.00 0.00 175.02 173.28 2x05 s LYS 511 N -3.78 0.36 -0.45 2.03 -2.85 0.12 -3.16 119.74 112.01 2x05 s LYS 511 Ca 0.35 -0.51 0.09 0.00 -1.00 0.00 0.00 55.97 54.91 2x05 s LYS 511 Cb 0.09 -0.12 0.34 0.00 -2.06 0.00 0.00 37.83 36.08 2x05 s LYS 511 CO 0.17 0.02 0.79 -0.12 0.10 0.00 0.00 175.35 176.31 2x05 n MET 512 N 1.97 1.74 0.00 1.78 1.56 -1.25 -2.71 117.12 120.21 2x05 n MET 512 Ca -0.20 -3.89 0.14 0.00 -0.27 0.00 0.00 57.70 53.48 2x05 n MET 512 Cb 0.56 -1.87 0.51 0.00 2.15 0.00 0.00 33.22 34.57 2x05 n MET 512 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2x05 n ASN 513 N 0.19 1.33 -0.07 6.12 3.02 -1.26 -4.95 115.26 119.64 2x05 n ASN 513 Ca 0.27 -1.34 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 2x05 n ASN 513 Cb 0.56 0.03 -0.00 0.00 -0.61 0.00 0.00 39.78 39.75 2x05 n ASN 513 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x05 n GLY 514 N 1.21 -2.08 3.94 7.41 0.00 -1.26 -4.56 105.19 109.85 2x05 n GLY 514 Ca 0.18 -1.42 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 2x05 n GLY 514 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2x05 s PRO 515 N -0.20 1.72 -0.00 1.61 0.04 -1.26 -3.03 135.00 133.88 2x05 s PRO 515 Ca 0.00 -0.40 0.01 0.00 0.04 0.00 0.00 61.00 60.65 2x05 s PRO 515 Cb 0.00 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.45 2x05 s PRO 515 CO 0.00 -1.58 0.68 0.66 0.04 0.00 0.00 177.00 176.79 2x05 n TYR 516 N -3.14 0.00 -3.71 0.56 4.01 0.12 -2.32 117.16 112.68 2x05 n TYR 516 Ca 0.11 -0.15 -0.07 0.00 -0.16 0.00 0.00 57.90 57.63 2x05 n TYR 516 Cb 0.60 -0.02 -0.01 0.00 -0.31 0.00 0.00 39.34 39.61 2x05 n TYR 516 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2x05 n ASP 517 N -0.16 -0.91 -4.69 7.72 2.03 -1.04 -3.29 116.55 116.21 2x05 n ASP 517 Ca 0.00 -1.99 -0.42 0.00 0.52 0.00 0.00 54.79 52.90 2x05 n ASP 517 Cb 0.46 1.62 -0.03 0.00 -0.72 0.00 0.00 41.12 42.45 2x05 n ASP 517 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2x05 s TYR 518 N -4.32 2.15 0.04 -0.67 5.04 -1.00 -4.35 117.35 114.23 2x05 s TYR 518 Ca 0.14 -0.03 0.02 0.00 -2.44 0.00 0.00 57.07 54.76 2x05 s TYR 518 Cb -0.01 -4.19 -0.02 0.00 0.35 0.00 0.00 41.96 38.09 2x05 s TYR 518 CO 0.10 -4.90 -0.07 0.14 -1.34 0.00 0.00 175.55 169.48 2x05 s VAL 519 N 2.72 0.48 0.70 3.14 -7.23 -1.26 -4.50 120.40 114.45 2x05 s VAL 519 Ca 0.81 -1.01 -0.12 0.00 -1.81 0.00 0.00 61.98 59.85 2x05 s VAL 519 Cb -0.46 -0.55 0.02 0.00 0.56 0.00 0.00 36.38 35.95 2x05 s VAL 519 CO 0.36 -0.37 1.08 -2.16 -0.31 0.00 0.00 175.10 173.70 2x05 s PRO 520 N -1.48 2.74 0.28 4.82 0.04 -1.26 -4.93 135.00 135.22 2x05 s PRO 520 Ca -0.10 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.09 2x05 s PRO 520 Cb -0.10 -1.96 0.66 0.00 0.04 0.00 0.00 34.50 33.14 2x05 s PRO 520 CO 0.00 -1.27 1.75 -1.35 0.04 0.00 0.00 177.00 176.17 2x05 h PRO 521 N -0.59 0.58 0.00 0.56 0.11 -1.91 -0.57 132.00 130.17 2x05 h PRO 521 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2x05 h PRO 521 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2x05 h PRO 521 CO 0.55 0.38 0.00 -0.24 -0.21 0.00 0.00 178.00 178.48 2x05 h VAL 522 N 0.60 0.00 -0.32 3.15 3.04 -1.91 -2.60 116.25 118.21 2x05 h VAL 522 Ca 0.53 -0.10 0.06 0.00 -1.01 0.00 0.00 66.70 66.18 2x05 h VAL 522 Cb 0.86 0.92 -0.06 0.00 -2.01 0.00 0.00 31.29 30.99 2x05 h VAL 522 CO -0.42 0.00 -0.09 0.22 -1.01 0.00 0.00 177.57 176.27 2x05 h TYR 523 N 0.00 -0.20 -0.06 3.17 3.20 -1.45 -1.41 116.97 120.22 2x05 h TYR 523 Ca 0.00 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.92 2x05 h TYR 523 Cb 0.11 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 2x05 h TYR 523 CO 0.00 -0.15 0.09 -1.49 -1.64 0.00 0.00 178.16 174.97 2x05 h TRP 524 N -0.02 0.00 -0.00 -3.82 4.06 -1.65 -0.09 115.95 114.44 2x05 h TRP 524 Ca 0.16 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.11 2x05 h TRP 524 Cb 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 2x05 h TRP 524 CO -0.31 0.00 -0.00 0.66 -3.56 0.00 0.00 178.44 175.23 2x05 n TYR 525 N -3.60 0.00 -2.69 0.49 4.01 -0.53 -1.09 117.16 113.75 2x05 n TYR 525 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 2x05 n TYR 525 Cb 0.18 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.16 2x05 n TYR 525 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2x05 s ASP 526 N -2.04 7.46 0.00 7.72 2.15 -0.05 -4.81 116.67 127.10 2x05 s ASP 526 Ca 0.45 1.83 0.00 0.00 0.43 0.00 0.00 52.55 55.26 2x05 s ASP 526 Cb 0.22 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2x05 s ASP 526 CO 0.37 -0.10 0.41 0.29 -0.17 0.00 0.00 175.17 175.97 2x05 n LYS 527 N 2.79 -0.52 0.07 4.34 5.02 -1.26 -3.45 118.16 125.15 2x05 n LYS 527 Ca 0.03 -0.44 -0.04 0.00 -2.02 0.00 0.00 58.31 55.83 2x05 n LYS 527 Cb 0.49 -0.87 -0.09 0.00 -0.02 0.00 0.00 35.03 34.54 2x05 n LYS 527 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2x05 h SER 528 N 0.00 0.00 -3.56 4.39 4.64 -1.99 -3.44 113.55 113.59 2x05 h SER 528 Ca 0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 2x05 h SER 528 Cb 0.17 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.07 2x05 h SER 528 CO 0.00 0.85 -0.19 -1.10 -0.87 0.00 0.00 176.83 175.52 2x05 s GLN 529 N -2.77 3.17 0.53 4.77 -1.52 -1.26 -4.96 119.66 117.62 2x05 s GLN 529 Ca 0.01 -0.68 0.32 0.00 -1.95 0.00 0.00 55.36 53.05 2x05 s GLN 529 Cb 0.09 -3.94 1.21 0.00 -0.22 0.00 0.00 33.01 30.15 2x05 s GLN 529 CO 0.80 -0.82 1.93 -0.22 -0.25 0.00 0.00 175.29 176.73 2x05 h LYS 530 N 8.70 0.00 -0.50 2.91 1.63 -1.99 -3.09 116.57 124.22 2x05 h LYS 530 Ca -0.27 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.53 2x05 h LYS 530 Cb 1.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 2x05 h LYS 530 CO 0.79 0.01 0.00 -0.25 -3.45 0.00 0.00 179.45 176.55 2x05 n ASP 531 N -3.11 3.21 -4.24 4.20 8.00 -1.26 -5.00 116.55 118.36 2x05 n ASP 531 Ca 0.01 -1.97 -0.28 0.00 0.71 0.00 0.00 54.79 53.26 2x05 n ASP 531 Cb 0.34 -0.33 -0.07 0.00 -0.02 0.00 0.00 41.12 41.05 2x05 n ASP 531 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2x05 n ARG 532 N 1.28 0.75 -0.63 -1.24 5.12 -1.17 -4.78 116.66 115.99 2x05 n ARG 532 Ca 0.20 -3.42 0.06 0.00 -1.93 0.00 0.00 57.85 52.76 2x05 n ARG 532 Cb 0.53 1.24 0.30 0.00 -1.16 0.00 0.00 32.46 33.37 2x05 n ARG 532 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2x05 n GLY 533 N -0.70 2.51 3.32 -0.13 0.00 -1.17 -4.80 105.19 104.23 2x05 n GLY 533 Ca -0.15 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 2x05 n GLY 533 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x05 n GLY 534 N 0.55 -2.37 3.57 -0.02 0.00 -1.26 -4.82 105.19 100.84 2x05 n GLY 534 Ca 0.20 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 2x05 n GLY 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x05 s ALA 535 N -2.29 1.79 -0.02 4.61 0.00 -0.25 -4.83 121.76 120.77 2x05 s ALA 535 Ca 0.55 -1.80 -0.29 0.00 0.00 0.00 0.00 51.96 50.42 2x05 s ALA 535 Cb -0.16 -4.60 0.10 0.00 0.00 0.00 0.00 23.12 18.47 2x05 s ALA 535 CO 0.67 -4.88 0.90 1.67 0.00 0.00 0.00 175.76 174.12 2x05 s TRP 536 N 10.07 -0.34 0.00 0.00 1.48 -1.26 -4.05 118.94 124.83 2x05 s TRP 536 Ca 0.68 0.23 0.00 0.00 -1.06 0.00 0.00 56.10 55.95 2x05 s TRP 536 Cb -0.04 0.53 0.00 0.00 -1.16 0.00 0.00 33.47 32.80 2x05 s TRP 536 CO 0.04 -0.53 0.00 0.45 -4.06 0.00 0.00 176.95 172.85 2x05 n SER 537 N -0.19 -1.72 -4.31 -2.66 2.88 -0.40 -4.42 113.62 102.81 2x05 n SER 537 Ca -0.09 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.04 2x05 n SER 537 Cb 0.61 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.98 2x05 n SER 537 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2x05 s PHE 538 N 0.00 3.31 -0.93 0.66 5.36 -1.25 -0.65 117.98 124.47 2x05 s PHE 538 Ca 0.00 -1.33 -0.24 0.00 -0.96 0.00 0.00 56.93 54.40 2x05 s PHE 538 Cb 0.00 -2.92 0.00 0.00 -0.34 0.00 0.00 43.02 39.76 2x05 s PHE 538 CO 0.00 -0.81 1.69 -0.80 -1.46 0.00 0.00 175.22 173.84 2x05 s ASN 539 N 2.12 5.80 0.19 6.13 0.01 -0.21 -0.70 114.94 128.27 2x05 s ASN 539 Ca 0.03 -0.96 0.19 0.00 -0.71 0.00 0.00 52.86 51.41 2x05 s ASN 539 Cb -0.23 -2.56 0.84 0.00 0.41 0.00 0.00 41.25 39.71 2x05 s ASN 539 CO 0.04 -2.14 1.58 -1.54 -1.51 0.00 0.00 177.10 173.53 2x05 n SER 540 N 11.45 0.44 0.00 -1.22 3.41 -1.10 -0.96 113.62 125.64 2x05 n SER 540 Ca 0.34 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.58 2x05 n SER 540 Cb 0.49 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 2x05 n SER 540 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2x05 n GLU 541 N -2.01 0.00 -3.55 4.33 0.28 -1.22 -4.57 120.64 113.91 2x05 n GLU 541 Ca 0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.87 2x05 n GLU 541 Cb 0.16 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.98 2x05 n GLU 541 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2x05 s THR 542 N 0.00 0.02 0.26 3.84 -1.32 -0.94 -4.68 115.64 112.82 2x05 s THR 542 Ca 0.00 -0.18 -0.20 0.00 -1.21 0.00 0.00 61.69 60.10 2x05 s THR 542 Cb 0.00 -0.98 0.06 0.00 -1.51 0.00 0.00 72.50 70.07 2x05 s THR 542 CO 0.00 -0.10 0.91 -0.94 -2.21 0.00 0.00 174.62 172.28 2x05 s SER 543 N -1.97 -0.05 -0.17 8.08 1.04 -0.98 -0.21 113.70 119.45 2x05 s SER 543 Ca -0.05 -0.80 0.16 0.00 0.48 0.00 0.00 55.95 55.74 2x05 s SER 543 Cb -0.01 0.65 0.76 0.00 0.10 0.00 0.00 66.02 67.53 2x05 s SER 543 CO -0.02 -1.27 1.68 0.00 0.98 0.00 0.00 173.24 174.62 2x05 n ALA 544 N -0.58 3.45 0.00 5.32 0.00 -1.26 -3.33 120.51 124.10 2x05 n ALA 544 Ca -0.05 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 51.67 2x05 n ALA 544 Cb 0.60 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.97 2x05 n ALA 544 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x05 n GLY 545 N 0.92 1.55 3.73 0.00 0.00 -1.21 -2.38 105.19 107.81 2x05 n GLY 545 Ca 0.27 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2x05 n GLY 545 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x05 s VAL 546 N 0.00 3.59 -0.47 1.61 1.01 -1.26 -1.05 120.40 123.83 2x05 s VAL 546 Ca 0.00 1.27 0.05 0.00 0.00 0.00 0.00 61.98 63.30 2x05 s VAL 546 Cb 0.00 -3.81 0.18 0.00 0.00 0.00 0.00 36.38 32.75 2x05 s VAL 546 CO 0.00 0.17 0.40 0.47 0.00 0.00 0.00 175.10 176.15 2x05 n ASP 547 N 2.91 0.33 -4.66 3.32 8.00 -0.18 -4.81 116.55 121.46 2x05 n ASP 547 Ca 0.06 -2.59 -0.50 0.00 0.71 0.00 0.00 54.79 52.47 2x05 n ASP 547 Cb 0.44 -0.60 -0.05 0.00 -0.02 0.00 0.00 41.12 40.89 2x05 n ASP 547 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2x05 n ILE 548 N 2.43 0.50 -0.66 0.53 2.08 -1.25 -4.15 119.36 118.84 2x05 n ILE 548 Ca 0.27 -0.13 -0.30 0.00 0.56 0.00 0.00 62.75 63.15 2x05 n ILE 548 Cb 0.46 -1.80 0.27 0.00 -0.75 0.00 0.00 39.64 37.83 2x05 n ILE 548 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2x05 s PRO 549 N 4.33 -2.28 0.80 0.38 0.04 -1.26 -4.80 135.00 132.21 2x05 s PRO 549 Ca 0.96 0.04 -0.13 0.00 0.04 0.00 0.00 61.00 61.90 2x05 s PRO 549 Cb -0.75 -1.46 0.08 0.00 0.04 0.00 0.00 34.50 32.41 2x05 s PRO 549 CO 0.53 -4.43 1.20 0.95 0.04 0.00 0.00 177.00 175.29 2x05 s THR 550 N -2.58 2.13 0.40 1.26 -4.23 -1.26 -4.74 115.64 106.62 2x05 s THR 550 Ca 0.70 0.06 0.09 0.00 -1.18 0.00 0.00 61.69 61.36 2x05 s THR 550 Cb -0.12 -2.46 0.30 0.00 1.34 0.00 0.00 72.50 71.57 2x05 s THR 550 CO 0.57 -0.04 1.99 -0.03 -0.54 0.00 0.00 174.62 176.57 2x05 h MET 551 N -0.89 0.56 -0.48 3.99 4.05 -1.97 0.11 114.93 120.30 2x05 h MET 551 Ca -0.46 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 58.87 2x05 h MET 551 Cb 1.29 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.95 2x05 h MET 551 CO 0.46 0.37 0.07 -0.44 0.23 0.00 0.00 176.91 177.60 2x05 h ASP 552 N 0.57 0.77 -0.03 1.39 3.32 -2.00 -2.43 116.42 118.01 2x05 h ASP 552 Ca 0.26 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2x05 h ASP 552 Cb 0.30 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 2x05 h ASP 552 CO -0.08 0.84 -0.02 0.74 -1.72 0.00 0.00 179.24 179.01 2x05 h THR 553 N 0.67 1.34 -0.91 0.35 2.02 -1.77 -3.08 112.91 111.53 2x05 h THR 553 Ca 0.15 -1.03 0.23 0.00 0.77 0.00 0.00 66.41 66.52 2x05 h THR 553 Cb 0.40 1.97 -0.17 0.00 -1.74 0.00 0.00 68.15 68.61 2x05 h THR 553 CO 0.01 0.28 -0.07 0.18 0.37 0.00 0.00 175.52 176.29 2x05 n LEU 554 N -4.83 -0.19 0.00 2.58 4.77 -0.03 0.10 117.00 119.41 2x05 n LEU 554 Ca -0.08 1.56 0.11 0.00 -0.03 0.00 0.00 56.01 57.58 2x05 n LEU 554 Cb 0.24 -0.53 0.54 0.00 -2.33 0.00 0.00 43.42 41.34 2x05 n LEU 554 CO 0.34 -1.55 0.88 0.29 -1.33 0.00 0.00 177.39 176.03 2x05 n LYS 555 N -5.40 0.14 0.03 3.23 5.02 -0.92 -1.68 118.16 118.58 2x05 n LYS 555 Ca 0.19 0.08 0.11 0.00 -2.02 0.00 0.00 58.31 56.67 2x05 n LYS 555 Cb 0.61 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 34.01 2x05 n LYS 555 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2x05 n ARG 556 N -1.41 0.61 -0.00 1.97 1.74 0.12 -4.53 116.66 115.15 2x05 n ARG 556 Ca 0.08 -0.09 0.06 0.00 -0.77 0.00 0.00 57.85 57.13 2x05 n ARG 556 Cb 0.24 -1.61 -0.09 0.00 -1.02 0.00 0.00 32.46 29.98 2x05 n ARG 556 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2x05 n MET 557 N -2.35 1.66 -4.01 5.56 0.00 -0.83 -4.46 117.12 112.70 2x05 n MET 557 Ca -0.02 -0.06 -0.08 0.00 0.00 0.00 0.00 57.70 57.54 2x05 n MET 557 Cb 0.55 -1.20 -0.10 0.00 0.00 0.00 0.00 33.22 32.47 2x05 n MET 557 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 2x05 s MET 558 N -2.54 0.49 0.63 3.17 -1.94 -0.68 -1.02 119.30 117.41 2x05 s MET 558 Ca 0.00 -0.87 -0.10 0.00 -1.71 0.00 0.00 55.69 53.01 2x05 s MET 558 Cb 0.09 0.18 -0.02 0.00 2.01 0.00 0.00 34.83 37.09 2x05 s MET 558 CO 0.54 -0.10 1.02 -1.54 -0.01 0.00 0.00 175.02 174.93 2x05 s SER 559 N -2.16 5.98 0.28 3.03 1.04 -1.26 -4.68 113.70 115.92 2x05 s SER 559 Ca -0.05 1.24 0.02 0.00 0.48 0.00 0.00 55.95 57.64 2x05 s SER 559 Cb -0.01 -2.25 0.57 0.00 0.10 0.00 0.00 66.02 64.43 2x05 s SER 559 CO -0.05 -0.98 1.83 0.00 0.98 0.00 0.00 173.24 175.01 2x05 h ALA 560 N -0.35 1.52 0.04 5.32 0.00 -1.96 -1.06 119.26 122.77 2x05 h ALA 560 Ca -0.45 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.27 2x05 h ALA 560 Cb 1.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2x05 h ALA 560 CO 0.62 0.19 -1.03 0.66 0.00 0.00 0.00 179.25 179.69 2x05 h SER 561 N 0.96 0.17 -0.46 0.00 4.64 -1.97 0.12 113.55 117.00 2x05 h SER 561 Ca 0.50 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2x05 h SER 561 Cb 0.53 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 2x05 h SER 561 CO -0.28 1.09 0.28 -0.33 -0.87 0.00 0.00 176.83 176.72 2x05 h GLU 562 N 0.04 0.64 0.07 4.77 5.08 -1.81 0.87 114.58 124.25 2x05 h GLU 562 Ca -0.05 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.01 2x05 h GLU 562 Cb 1.75 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.87 2x05 h GLU 562 CO 0.15 0.45 -1.10 -0.07 -1.00 0.00 0.00 179.01 177.44 2x05 h LEU 563 N 0.66 0.41 -0.89 1.33 3.38 -0.92 -0.74 115.31 118.54 2x05 h LEU 563 Ca 0.17 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 2x05 h LEU 563 Cb -0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2x05 h LEU 563 CO -0.03 1.26 -0.00 -0.78 0.09 0.00 0.00 178.44 178.97 2x05 h ASP 564 N 0.12 0.79 -0.21 -0.43 3.58 -0.47 -2.98 116.42 116.82 2x05 h ASP 564 Ca -0.10 -0.20 -0.19 0.00 0.42 0.00 0.00 57.03 56.96 2x05 h ASP 564 Cb 1.79 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 42.64 2x05 h ASP 564 CO 0.18 0.86 -0.63 0.74 -2.88 0.00 0.00 179.24 177.51 2x05 h THR 565 N 0.76 1.29 -0.28 2.25 2.02 -0.69 -2.94 112.91 115.32 2x05 h THR 565 Ca 0.15 -1.83 0.07 0.00 0.77 0.00 0.00 66.41 65.56 2x05 h THR 565 Cb 0.47 1.85 -0.08 0.00 -1.74 0.00 0.00 68.15 68.65 2x05 h THR 565 CO 0.02 0.58 -0.28 -0.03 0.37 0.00 0.00 175.52 176.18 2x05 h MET 566 N 0.54 -0.26 0.03 6.66 1.85 -0.99 0.13 114.93 122.88 2x05 h MET 566 Ca -0.02 0.02 -0.22 0.00 -0.61 0.00 0.00 59.70 58.86 2x05 h MET 566 Cb 1.25 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 33.33 2x05 h MET 566 CO 0.13 -0.18 -0.99 0.11 -0.40 0.00 0.00 176.91 175.58 2x05 h TRP 567 N -0.27 0.40 -0.08 1.39 5.08 -1.58 -2.69 115.95 118.18 2x05 h TRP 567 Ca 0.14 -0.24 -0.22 0.00 1.08 0.00 0.00 58.89 59.65 2x05 h TRP 567 Cb 0.50 -0.04 0.01 0.00 -3.00 0.00 0.00 29.16 26.64 2x05 h TRP 567 CO -0.45 1.10 -0.85 0.87 -1.28 0.00 0.00 178.44 177.84 2x05 h LYS 568 N 0.12 0.63 -2.51 0.12 1.57 -1.44 -3.39 116.57 111.66 2x05 h LYS 568 Ca -0.07 -0.57 -0.59 0.00 -1.87 0.00 0.00 60.65 57.55 2x05 h LYS 568 Cb 1.66 0.13 -0.39 0.00 0.08 0.00 0.00 32.23 33.72 2x05 h LYS 568 CO 0.16 1.18 -0.90 1.21 -0.57 0.00 0.00 179.45 180.53 2x05 s ASN 569 N -7.11 2.18 0.62 0.86 2.47 0.44 -4.95 114.94 109.45 2x05 s ASN 569 Ca -0.08 -2.90 0.41 0.00 0.42 0.00 0.00 52.86 50.71 2x05 s ASN 569 Cb 0.09 -0.56 2.14 0.00 -1.45 0.00 0.00 41.25 41.47 2x05 s ASN 569 CO 0.89 -0.20 2.26 -0.65 -3.72 0.00 0.00 177.10 175.67 2x05 h PRO 570 N 6.00 0.00 0.00 0.43 0.11 -1.66 -0.94 132.00 135.94 2x05 h PRO 570 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2x05 h PRO 570 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2x05 h PRO 570 CO 0.38 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 178.94 2x05 h SER 571 N 0.00 0.00 -3.92 -2.05 0.02 -1.87 0.23 113.55 105.96 2x05 h SER 571 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 2x05 h SER 571 Cb 0.11 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.71 2x05 h SER 571 CO 0.00 0.00 0.53 0.00 -1.14 0.00 0.00 176.83 176.22 2x05 s ALA 572 N -3.54 3.23 0.33 3.77 0.00 -0.36 -4.70 121.76 120.49 2x05 s ALA 572 Ca 0.03 1.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 2x05 s ALA 572 Cb 0.09 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.69 2x05 s ALA 572 CO 0.54 -0.55 1.49 1.17 0.00 0.00 0.00 175.76 178.41 2x05 n LYS 573 N 0.27 2.54 -4.03 0.00 4.81 -1.26 -4.25 118.16 116.24 2x05 n LYS 573 Ca 0.03 0.90 -0.31 0.00 -0.87 0.00 0.00 58.31 58.06 2x05 n LYS 573 Cb 0.45 -2.62 -0.16 0.00 0.02 0.00 0.00 35.03 32.72 2x05 n LYS 573 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2x05 s GLN 574 N -1.30 2.34 0.34 1.64 -1.52 0.68 -4.97 119.66 116.87 2x05 s GLN 574 Ca 0.59 -0.70 0.04 0.00 -1.95 0.00 0.00 55.36 53.34 2x05 s GLN 574 Cb -0.51 -2.29 0.65 0.00 -0.22 0.00 0.00 33.01 30.64 2x05 s GLN 574 CO 0.56 -0.29 1.95 -0.92 -0.25 0.00 0.00 175.29 176.34 2x05 h TYR 575 N 8.00 0.87 -0.39 0.91 3.20 -1.89 -1.64 116.97 126.03 2x05 h TYR 575 Ca -0.36 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.53 2x05 h TYR 575 Cb 1.12 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.11 2x05 h TYR 575 CO 0.49 0.47 0.00 0.72 -1.64 0.00 0.00 178.16 178.20 2x05 n HIS 576 N -4.48 0.53 0.00 -3.82 8.25 -1.26 -4.20 115.22 110.25 2x05 n HIS 576 Ca 0.11 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2x05 n HIS 576 Cb 0.19 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.30 2x05 n HIS 576 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2x05 n ARG 577 N 0.64 0.00 -3.98 -0.41 0.63 -0.62 -2.06 116.66 110.87 2x05 n ARG 577 Ca 0.13 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.97 2x05 n ARG 577 Cb 0.34 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.14 2x05 n ARG 577 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2x05 s SER 578 N -1.00 0.24 0.44 6.15 0.15 -1.16 -4.34 113.70 114.18 2x05 s SER 578 Ca 0.00 -0.51 0.24 0.00 0.70 0.00 0.00 55.95 56.38 2x05 s SER 578 Cb 0.00 0.12 0.90 0.00 -1.71 0.00 0.00 66.02 65.33 2x05 s SER 578 CO 0.00 -0.33 1.82 0.77 1.20 0.00 0.00 173.24 176.69 2x05 h SER 579 N 4.49 0.00 -3.86 5.45 4.64 -1.49 -3.38 113.55 119.39 2x05 h SER 579 Ca -0.32 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.44 2x05 h SER 579 Cb 1.20 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 63.43 2x05 h SER 579 CO 0.43 0.22 0.51 -0.24 -0.87 0.00 0.00 176.83 176.88 2x05 n SER 580 N -3.36 2.38 0.08 4.97 2.88 -1.26 -4.93 113.62 114.38 2x05 n SER 580 Ca 0.00 0.98 -0.14 0.00 -1.33 0.00 0.00 58.87 58.38 2x05 n SER 580 Cb 0.44 -1.54 -0.07 0.00 -0.75 0.00 0.00 64.21 62.29 2x05 n SER 580 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2x05 h ASP 581 N 1.41 0.46 -0.49 -3.46 3.32 -1.98 -1.99 116.42 113.69 2x05 h ASP 581 Ca -0.50 -0.41 -0.02 0.00 0.02 0.00 0.00 57.03 56.12 2x05 h ASP 581 Cb 1.31 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 2x05 h ASP 581 CO 0.57 1.24 0.24 0.74 -1.72 0.00 0.00 179.24 180.31 2x05 h THR 582 N 0.16 1.18 -0.36 0.35 2.02 -1.97 -3.01 112.91 111.28 2x05 h THR 582 Ca -0.09 -0.52 -0.25 0.00 0.77 0.00 0.00 66.41 66.31 2x05 h THR 582 Cb 1.70 0.52 -0.18 0.00 -1.74 0.00 0.00 68.15 68.44 2x05 h THR 582 CO 0.17 0.21 -0.51 0.49 0.37 0.00 0.00 175.52 176.26 2x05 n PHE 583 N -4.37 1.28 0.16 3.16 3.72 -1.22 -4.72 117.46 115.46 2x05 n PHE 583 Ca 0.04 -1.83 0.12 0.00 -0.05 0.00 0.00 57.45 55.73 2x05 n PHE 583 Cb 0.13 -0.36 0.08 0.00 -0.94 0.00 0.00 39.48 38.39 2x05 n PHE 583 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2x05 h GLY 584 N 1.46 0.00 -1.06 1.37 0.00 -1.21 -3.06 103.07 100.57 2x05 h GLY 584 Ca 0.19 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.93 2x05 h GLY 584 CO 0.39 0.00 -0.49 0.54 0.00 0.00 0.00 176.54 176.98 2x05 s ASN 585 N -5.78 2.96 -0.30 0.19 2.20 -1.26 -0.23 114.94 112.72 2x05 s ASN 585 Ca 0.03 -1.73 0.09 0.00 -0.94 0.00 0.00 52.86 50.31 2x05 s ASN 585 Cb 0.07 0.61 0.54 0.00 -2.00 0.00 0.00 41.25 40.47 2x05 s ASN 585 CO 0.73 -0.99 1.53 0.18 -2.94 0.00 0.00 177.10 175.62 2x05 n LEU 586 N -0.97 4.52 0.39 3.54 4.77 0.76 -4.86 117.00 125.14 2x05 n LEU 586 Ca -0.07 -3.65 -0.15 0.00 -0.03 0.00 0.00 56.01 52.10 2x05 n LEU 586 Cb 0.65 -0.66 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 2x05 n LEU 586 CO 0.34 1.15 0.43 0.50 -1.33 0.00 0.00 177.39 178.49 2x05 h LYS 587 N 1.14 -0.97 -0.99 3.23 3.64 -1.74 0.11 116.57 120.99 2x05 h LYS 587 Ca 0.26 0.07 0.22 0.00 -1.27 0.00 0.00 60.65 59.92 2x05 h LYS 587 Cb 1.82 0.22 -0.12 0.00 -0.41 0.00 0.00 32.23 33.75 2x05 h LYS 587 CO 0.48 -0.65 0.58 -0.07 -2.27 0.00 0.00 179.45 177.52 2x05 h LEU 588 N -1.18 0.68 0.11 5.20 3.38 -1.91 0.99 115.31 122.59 2x05 h LEU 588 Ca -0.10 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2x05 h LEU 588 Cb 0.77 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2x05 h LEU 588 CO 0.17 0.17 -0.05 0.15 0.09 0.00 0.00 178.44 178.96 2x05 h PHE 589 N 0.64 -0.14 -0.26 1.13 3.57 -1.91 -2.54 116.94 117.43 2x05 h PHE 589 Ca 0.60 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 62.07 2x05 h PHE 589 Cb 1.06 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 2x05 h PHE 589 CO -0.02 0.27 0.02 0.78 -2.23 0.00 0.00 178.31 177.13 2x05 h GLY 590 N -0.59 0.41 0.82 2.40 0.00 -0.11 -0.02 103.07 105.98 2x05 h GLY 590 Ca -0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 2x05 h GLY 590 CO 0.02 0.20 -0.03 -0.55 0.00 0.00 0.00 176.54 176.19 2x05 h ASP 591 N 0.37 0.40 0.85 0.19 5.19 -0.85 -1.99 116.42 120.59 2x05 h ASP 591 Ca 0.09 -0.34 -0.11 0.00 -0.62 0.00 0.00 57.03 56.04 2x05 h ASP 591 Cb 0.22 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 2x05 h ASP 591 CO 0.00 0.64 -0.54 0.00 -3.12 0.00 0.00 179.24 176.23 2x05 h ALA 592 N 0.77 0.88 -0.28 3.45 0.00 -1.14 -1.83 119.26 121.10 2x05 h ALA 592 Ca 0.06 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2x05 h ALA 592 Cb 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2x05 h ALA 592 CO 0.02 0.67 0.00 1.25 0.00 0.00 0.00 179.25 181.19 2x05 h LEU 593 N 0.00 0.48 -0.38 0.00 5.85 -0.91 0.14 115.31 120.49 2x05 h LEU 593 Ca -0.01 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 2x05 h LEU 593 Cb 1.11 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 2x05 h LEU 593 CO 0.07 0.67 0.08 0.74 -0.34 0.00 0.00 178.44 179.66 2x05 h THR 594 N 0.28 1.23 0.00 1.05 2.02 -1.31 0.36 112.91 116.54 2x05 h THR 594 Ca 0.08 -0.81 -0.16 0.00 0.77 0.00 0.00 66.41 66.29 2x05 h THR 594 Cb 0.42 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 2x05 h THR 594 CO 0.01 0.28 -0.76 0.11 0.37 0.00 0.00 175.52 175.53 2x05 h LYS 595 N 0.47 0.00 0.04 6.66 1.57 -1.28 -1.30 116.57 122.73 2x05 h LYS 595 Ca 0.12 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.58 2x05 h LYS 595 Cb 0.33 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 2x05 h LYS 595 CO 0.00 0.76 -1.76 0.54 -0.57 0.00 0.00 179.45 178.43 2x05 n ARG 596 N -3.60 0.63 -0.06 3.15 1.74 0.49 -4.53 116.66 114.48 2x05 n ARG 596 Ca -0.01 0.41 0.11 0.00 -0.77 0.00 0.00 57.85 57.59 2x05 n ARG 596 Cb 0.74 -1.68 0.13 0.00 -1.02 0.00 0.00 32.46 30.63 2x05 n ARG 596 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2x05 n TYR 597 N -4.03 0.16 0.00 -1.55 4.01 0.12 -0.69 117.16 115.17 2x05 n TYR 597 Ca -0.36 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.29 2x05 n TYR 597 Cb 0.84 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.87 2x05 n TYR 597 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x05 n GLY 598 N 1.31 -1.68 3.53 2.72 0.00 -0.50 -4.55 105.19 106.03 2x05 n GLY 598 Ca 0.15 -1.37 -0.38 0.00 0.00 0.00 0.00 46.02 44.41 2x05 n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x05 n ALA 599 N -0.62 -0.63 -2.06 4.61 0.00 -1.19 -4.39 120.51 116.22 2x05 n ALA 599 Ca 0.00 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 2x05 n ALA 599 Cb 0.00 -1.94 -0.05 0.00 0.00 0.00 0.00 19.45 17.46 2x05 n ALA 599 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2x05 s SER 600 N -1.15 7.53 0.15 0.00 0.01 -1.26 -4.97 113.70 114.01 2x05 s SER 600 Ca 0.70 1.82 0.22 0.00 1.31 0.00 0.00 55.95 60.01 2x05 s SER 600 Cb -0.45 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.11 2x05 s SER 600 CO 0.52 0.04 0.91 0.00 0.41 0.00 0.00 173.24 175.12 2x05 n ALA 601 N 2.23 2.59 -3.77 1.44 0.00 -1.26 -5.00 120.51 116.74 2x05 n ALA 601 Ca -0.00 -0.30 0.13 0.00 0.00 0.00 0.00 53.44 53.26 2x05 n ALA 601 Cb 0.48 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.92 2x05 n ALA 601 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2x05 n ASN 602 N -2.58 -0.99 -0.03 0.00 0.23 -1.26 -5.00 115.26 105.63 2x05 n ASN 602 Ca -0.01 -1.26 -0.10 0.00 -0.53 0.00 0.00 54.58 52.68 2x05 n ASN 602 Cb 0.56 1.54 -0.04 0.00 -2.08 0.00 0.00 39.78 39.76 2x05 n ASN 602 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 2x05 h LEU 603 N 0.00 0.15 -0.88 -4.53 5.85 -1.95 -1.87 115.31 112.08 2x05 h LEU 603 Ca -0.17 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.67 2x05 h LEU 603 Cb 0.92 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.84 2x05 h LEU 603 CO 0.25 0.11 0.51 0.78 -0.34 0.00 0.00 178.44 179.75 2x05 h ASN 604 N 0.20 0.71 -0.06 1.25 2.35 -1.99 0.47 115.58 118.51 2x05 h ASN 604 Ca 0.07 0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 2x05 h ASN 604 Cb 0.00 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 2x05 h ASN 604 CO -0.04 0.37 -0.13 -0.78 -1.65 0.00 0.00 177.43 175.20 2x05 h ASP 605 N 0.80 0.36 -0.05 5.81 3.58 -1.84 -1.86 116.42 123.22 2x05 h ASP 605 Ca 0.44 -0.09 -0.11 0.00 0.42 0.00 0.00 57.03 57.69 2x05 h ASP 605 Cb 0.47 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 41.43 2x05 h ASP 605 CO -0.28 0.53 -0.40 0.15 -2.88 0.00 0.00 179.24 176.36 2x05 h PHE 606 N 0.35 0.50 -0.17 0.28 3.57 -0.32 -2.95 116.94 118.20 2x05 h PHE 606 Ca 0.07 -0.24 -0.04 0.00 3.53 0.00 0.00 57.97 61.29 2x05 h PHE 606 Cb 0.45 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2x05 h PHE 606 CO 0.01 1.01 -0.05 0.28 -2.23 0.00 0.00 178.31 177.33 2x05 h VAL 607 N -0.15 1.29 -0.31 1.41 2.07 -0.93 0.14 116.25 119.78 2x05 h VAL 607 Ca -0.04 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 2x05 h VAL 607 Cb 1.08 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 2x05 h VAL 607 CO 0.08 0.31 0.16 0.08 0.02 0.00 0.00 177.57 178.22 2x05 h ARG 608 N 0.04 0.42 0.16 1.57 0.11 -1.46 -0.70 114.38 114.53 2x05 h ARG 608 Ca 0.04 -0.04 -0.31 0.00 0.10 0.00 0.00 59.98 59.77 2x05 h ARG 608 Cb 0.49 -0.09 0.03 0.00 1.11 0.00 0.00 29.97 31.52 2x05 h ARG 608 CO 0.02 0.32 -1.32 0.87 0.10 0.00 0.00 179.97 179.97 2x05 h LYS 609 N 0.43 0.60 -0.64 0.08 1.57 -1.31 -2.96 116.57 114.33 2x05 h LYS 609 Ca 0.11 -0.87 0.12 0.00 -1.87 0.00 0.00 60.65 58.14 2x05 h LYS 609 Cb 0.03 0.30 -0.08 0.00 0.08 0.00 0.00 32.23 32.55 2x05 h LYS 609 CO -0.02 1.40 0.20 0.00 -0.57 0.00 0.00 179.45 180.46 2x05 h ALA 610 N 0.24 0.82 -0.37 3.86 0.00 -0.25 -0.22 119.26 123.34 2x05 h ALA 610 Ca -0.21 0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2x05 h ALA 610 Cb 1.99 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.88 2x05 h ALA 610 CO 0.25 -0.25 0.22 1.96 0.00 0.00 0.00 179.25 181.43 2x05 h GLN 611 N 0.34 0.43 0.13 0.00 1.08 -1.14 0.79 115.11 116.75 2x05 h GLN 611 Ca 0.34 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.51 2x05 h GLN 611 Cb 0.49 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2x05 h GLN 611 CO -0.38 0.28 -0.06 -0.07 -0.95 0.00 0.00 178.83 177.65 2x05 h LEU 612 N 0.44 -0.15 -0.93 1.46 3.38 -1.28 0.19 115.31 118.43 2x05 h LEU 612 Ca 0.15 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.15 2x05 h LEU 612 Cb 0.00 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 2x05 h LEU 612 CO -0.07 -0.08 0.59 -1.28 0.09 0.00 0.00 178.44 177.70 2x05 h SER 613 N -0.21 0.96 -0.27 -0.43 0.87 -0.87 0.33 113.55 113.94 2x05 h SER 613 Ca -0.02 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 2x05 h SER 613 Cb 0.16 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2x05 h SER 613 CO 0.03 0.63 -0.06 1.56 -0.53 0.00 0.00 176.83 178.46 2x05 h GLN 614 N 1.11 0.51 0.81 2.24 4.20 -0.57 0.02 115.11 123.44 2x05 h GLN 614 Ca 0.39 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 2x05 h GLN 614 Cb 0.11 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 2x05 h GLN 614 CO -0.15 0.72 -0.49 -0.92 -0.67 0.00 0.00 178.83 177.31 2x05 h TYR 615 N 0.27 -1.32 -0.87 2.96 3.20 -0.81 0.68 116.97 121.08 2x05 h TYR 615 Ca 0.07 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.12 2x05 h TYR 615 Cb 0.53 0.47 -0.16 0.00 1.54 0.00 0.00 36.73 39.10 2x05 h TYR 615 CO 0.05 -0.74 -0.12 1.49 -1.64 0.00 0.00 178.16 177.20 2x05 h GLU 616 N -1.22 0.02 0.01 1.82 4.81 -0.92 -0.77 114.58 118.33 2x05 h GLU 616 Ca -0.11 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2x05 h GLU 616 Cb 0.97 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.35 2x05 h GLU 616 CO 0.11 0.02 -0.00 -0.97 -0.73 0.00 0.00 179.01 177.44 2x05 h ASN 617 N 0.02 -0.01 -0.53 1.04 -0.73 -0.81 -2.79 115.58 111.78 2x05 h ASN 617 Ca 0.46 -0.84 0.07 0.00 1.87 0.00 0.00 56.30 57.86 2x05 h ASN 617 Cb 0.78 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.31 2x05 h ASN 617 CO -0.85 0.87 0.20 0.58 -0.37 0.00 0.00 177.43 177.86 2x05 h VAL 618 N -0.93 0.83 0.15 2.57 2.07 -0.79 -0.43 116.25 119.72 2x05 h VAL 618 Ca -0.00 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.40 2x05 h VAL 618 Cb 0.85 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 2x05 h VAL 618 CO 0.00 0.07 -0.47 -0.09 0.02 0.00 0.00 177.57 177.10 2x05 h ARG 619 N 0.39 -0.70 -0.72 1.57 2.43 -1.20 -2.04 114.38 114.10 2x05 h ARG 619 Ca 0.26 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.56 2x05 h ARG 619 Cb 0.28 0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.92 2x05 h ARG 619 CO -0.25 -0.47 0.38 0.00 -1.51 0.00 0.00 179.97 178.12 2x05 h ALA 620 N -0.38 1.00 -0.57 2.80 0.00 -1.17 0.22 119.26 121.16 2x05 h ALA 620 Ca 0.00 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2x05 h ALA 620 Cb 0.73 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 2x05 h ALA 620 CO -0.25 0.01 0.07 1.49 0.00 0.00 0.00 179.25 180.57 2x05 h GLU 621 N 0.66 0.19 0.16 0.00 4.81 -0.80 -1.32 114.58 118.28 2x05 h GLU 621 Ca 0.35 -0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 59.28 2x05 h GLU 621 Cb 0.32 -0.04 0.03 0.00 0.63 0.00 0.00 28.75 29.69 2x05 h GLU 621 CO -0.24 0.12 -1.21 0.74 -0.73 0.00 0.00 179.01 177.69 2x05 h PHE 622 N 0.19 0.91 -0.45 0.92 0.04 -0.50 -3.26 116.94 114.80 2x05 h PHE 622 Ca 0.30 -0.61 -0.01 0.00 2.80 0.00 0.00 57.97 60.45 2x05 h PHE 622 Cb 0.45 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 2x05 h PHE 622 CO -0.28 1.46 0.25 0.93 -0.60 0.00 0.00 178.31 180.07 2x05 h GLU 623 N 0.11 0.62 -0.49 1.51 5.08 -0.41 -1.73 114.58 119.28 2x05 h GLU 623 Ca -0.20 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.16 2x05 h GLU 623 Cb 1.92 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.99 2x05 h GLU 623 CO 0.23 0.49 0.18 0.66 -1.00 0.00 0.00 179.01 179.57 2x05 h SER 624 N 0.59 0.18 -0.25 1.42 4.64 -1.36 -1.24 113.55 117.54 2x05 h SER 624 Ca 0.16 0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.47 2x05 h SER 624 Cb 0.04 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2x05 h SER 624 CO -0.03 0.13 -0.06 0.45 -0.87 0.00 0.00 176.83 176.45 2x05 h HIS 625 N 0.35 0.65 -0.63 4.77 3.86 -1.53 -1.46 115.15 121.17 2x05 h HIS 625 Ca 0.24 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.31 2x05 h HIS 625 Cb 0.25 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 2x05 h HIS 625 CO -0.16 0.66 0.23 0.77 0.86 0.00 0.00 177.93 180.29 2x05 h SER 626 N 0.57 0.88 -0.17 2.45 0.02 -0.73 -2.80 113.55 113.76 2x05 h SER 626 Ca 0.11 -0.18 -0.12 0.00 -0.84 0.00 0.00 61.79 60.76 2x05 h SER 626 Cb 0.45 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2x05 h SER 626 CO 0.02 0.83 -0.35 -0.09 -1.14 0.00 0.00 176.83 176.10 2x05 h ARG 627 N 0.88 0.54 -0.00 3.45 2.43 -0.78 -3.15 114.38 117.76 2x05 h ARG 627 Ca 0.21 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2x05 h ARG 627 Cb 0.23 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2x05 h ARG 627 CO -0.01 0.96 -0.02 0.09 -1.51 0.00 0.00 179.97 179.48 2x05 n ASN 628 N -4.31 0.20 0.14 -3.80 4.13 -0.59 -3.65 115.26 107.38 2x05 n ASN 628 Ca -0.06 -0.67 0.06 0.00 1.68 0.00 0.00 54.58 55.59 2x05 n ASN 628 Cb 0.50 -0.11 0.54 0.00 -1.54 0.00 0.00 39.78 39.18 2x05 n ASN 628 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2x05 h TYR 629 N 0.28 0.24 -0.67 3.10 3.20 -1.45 -2.18 116.97 119.49 2x05 h TYR 629 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2x05 h TYR 629 Cb 0.20 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.39 2x05 h TYR 629 CO 0.00 0.15 0.00 0.25 -1.64 0.00 0.00 178.16 176.92 2x05 n THR 630 N -4.51 1.66 -1.89 1.81 -2.24 -1.24 -4.61 114.28 103.27 2x05 n THR 630 Ca -0.00 -1.16 -0.39 0.00 -2.27 0.00 0.00 64.05 60.22 2x05 n THR 630 Cb 0.08 0.21 0.01 0.00 -2.10 0.00 0.00 70.33 68.53 2x05 n THR 630 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2x05 s ASP 631 N -0.94 5.92 0.27 3.42 1.01 -0.88 -4.92 116.67 120.54 2x05 s ASP 631 Ca 0.51 2.79 0.25 0.00 0.71 0.00 0.00 52.55 56.81 2x05 s ASP 631 Cb 0.31 -2.64 0.59 0.00 1.01 0.00 0.00 42.92 42.19 2x05 s ASP 631 CO 0.27 -1.13 1.65 0.77 0.21 0.00 0.00 175.17 176.93 2x05 h SER 632 N 2.28 0.00 -3.27 0.27 4.64 -1.93 -3.36 113.55 112.18 2x05 h SER 632 Ca -0.50 -0.02 -0.55 0.00 -0.47 0.00 0.00 61.79 60.25 2x05 h SER 632 Cb 1.26 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.98 2x05 h SER 632 CO 0.61 0.01 -0.80 -0.89 -0.87 0.00 0.00 176.83 174.89 2x05 s THR 633 N -3.15 1.12 -1.00 2.95 2.01 -1.26 -4.82 115.64 111.48 2x05 s THR 633 Ca 0.09 -0.52 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 2x05 s THR 633 Cb 0.10 -1.22 0.00 0.00 0.01 0.00 0.00 72.50 71.39 2x05 s THR 633 CO 0.64 0.23 0.84 0.59 -0.69 0.00 0.00 174.62 176.23 2x05 n ASN 634 N 4.89 -2.64 -4.75 3.53 4.13 -1.26 -4.95 115.26 114.21 2x05 n ASN 634 Ca -0.12 -0.50 -0.34 0.00 1.68 0.00 0.00 54.58 55.30 2x05 n ASN 634 Cb 0.49 -4.27 0.07 0.00 -1.54 0.00 0.00 39.78 34.52 2x05 n ASN 634 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2x05 s PRO 635 N -5.28 2.51 0.31 3.52 0.04 -1.26 -4.31 135.00 130.54 2x05 s PRO 635 Ca 0.08 1.57 -0.29 0.00 0.04 0.00 0.00 61.00 62.41 2x05 s PRO 635 Cb -0.04 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 2x05 s PRO 635 CO 0.60 -1.51 1.24 -1.54 0.04 0.00 0.00 177.00 175.82 2x05 s SER 636 N -2.29 6.94 0.00 6.66 1.04 -0.87 -1.28 113.70 123.90 2x05 s SER 636 Ca 0.71 2.54 0.00 0.00 0.48 0.00 0.00 55.95 59.68 2x05 s SER 636 Cb -0.25 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.23 2x05 s SER 636 CO 0.43 -0.40 0.08 0.35 0.98 0.00 0.00 173.24 174.68 2x05 n THR 637 N 0.99 0.00 -3.57 2.02 -2.24 0.17 -4.06 114.28 107.59 2x05 n THR 637 Ca -0.00 -0.32 -0.09 0.00 -2.27 0.00 0.00 64.05 61.36 2x05 n THR 637 Cb 0.43 1.09 -0.04 0.00 -2.10 0.00 0.00 70.33 69.71 2x05 n THR 637 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2x05 s GLY 638 N -0.48 -0.28 -0.05 3.38 0.00 -1.23 -3.00 107.32 105.67 2x05 s GLY 638 Ca 0.00 1.90 -0.02 0.00 0.00 0.00 0.00 44.72 46.60 2x05 s GLY 638 CO 0.00 0.91 0.07 -2.27 0.00 0.00 0.00 173.10 171.81 2x05 s LEU 639 N -1.35 0.11 -0.34 0.66 2.96 0.19 -1.05 118.68 119.86 2x05 s LEU 639 Ca 0.00 0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.98 2x05 s LEU 639 Cb -0.01 -0.08 0.06 0.00 0.50 0.00 0.00 46.19 46.66 2x05 s LEU 639 CO -0.01 -0.25 0.08 -0.63 -1.32 0.00 0.00 176.35 174.22 2x05 s ILE 640 N 2.19 3.31 0.22 6.68 -1.09 -0.13 -0.82 121.20 131.56 2x05 s ILE 640 Ca 0.05 -1.46 -0.31 0.00 -2.23 0.00 0.00 60.65 56.69 2x05 s ILE 640 Cb -0.12 -2.98 -0.11 0.00 -1.58 0.00 0.00 42.46 37.67 2x05 s ILE 640 CO -0.03 -0.27 1.61 -0.47 -1.23 0.00 0.00 174.94 174.55 2x05 s TYR 641 N 1.27 2.93 -0.58 3.97 6.14 0.13 -2.22 117.35 129.00 2x05 s TYR 641 Ca -0.01 0.62 -0.17 0.00 0.64 0.00 0.00 57.07 58.15 2x05 s TYR 641 Cb -0.20 -4.02 0.12 0.00 0.42 0.00 0.00 41.96 38.28 2x05 s TYR 641 CO -0.01 -3.66 0.61 -0.46 0.64 0.00 0.00 175.55 172.67 2x05 s TRP 642 N 0.74 3.16 0.30 4.97 -0.11 0.71 -1.40 118.94 127.31 2x05 s TRP 642 Ca 0.69 -1.18 0.03 0.00 1.22 0.00 0.00 56.10 56.85 2x05 s TRP 642 Cb -0.46 -3.90 -0.04 0.00 -1.50 0.00 0.00 33.47 27.56 2x05 s TRP 642 CO 0.37 -1.14 0.12 -1.64 -4.62 0.00 0.00 176.95 170.04 2x05 s MET 643 N 2.02 1.57 0.21 5.86 -1.94 -0.84 -4.38 119.30 121.79 2x05 s MET 643 Ca 0.08 -1.89 -0.06 0.00 -1.71 0.00 0.00 55.69 52.11 2x05 s MET 643 Cb -0.26 -0.31 0.16 0.00 2.01 0.00 0.00 34.83 36.43 2x05 s MET 643 CO 0.04 -0.37 1.66 1.25 -0.01 0.00 0.00 175.02 177.59 2x05 h LEU 644 N 2.22 0.91 -8.08 -0.03 5.85 -0.88 -3.02 115.31 112.29 2x05 h LEU 644 Ca -0.36 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.05 2x05 h LEU 644 Cb 1.25 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2x05 h LEU 644 CO 0.58 1.02 0.19 0.54 -0.34 0.00 0.00 178.44 180.42 2x05 s ASN 645 N -6.65 0.05 0.24 1.25 4.22 -1.25 -0.81 114.94 111.99 2x05 s ASN 645 Ca -0.10 -1.06 0.11 0.00 -2.14 0.00 0.00 52.86 49.67 2x05 s ASN 645 Cb 0.14 0.79 -0.05 0.00 1.28 0.00 0.00 41.25 43.41 2x05 s ASN 645 CO 0.84 -1.54 -0.19 -0.55 -2.04 0.00 0.00 177.10 173.62 2x05 s SER 646 N -3.05 3.67 0.18 3.54 0.15 -1.26 -4.49 113.70 112.43 2x05 s SER 646 Ca 0.17 -0.90 0.22 0.00 0.70 0.00 0.00 55.95 56.13 2x05 s SER 646 Cb -0.04 -0.36 0.88 0.00 -1.71 0.00 0.00 66.02 64.78 2x05 s SER 646 CO 0.11 0.07 1.66 -2.65 1.20 0.00 0.00 173.24 173.64 2x05 n PRO 647 N -0.27 0.14 -0.57 5.44 -0.02 -1.26 -4.79 135.00 133.67 2x05 n PRO 647 Ca -0.08 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2x05 n PRO 647 Cb 0.58 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 2x05 n PRO 647 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2x05 n TRP 648 N -2.02 -0.53 -2.20 6.00 4.27 -1.26 -0.88 117.44 120.82 2x05 n TRP 648 Ca 0.03 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.21 2x05 n TRP 648 Cb 0.24 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.16 2x05 n TRP 648 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 2x05 s THR 649 N -2.96 3.73 0.28 -1.67 -4.23 -1.26 -4.30 115.64 105.23 2x05 s THR 649 Ca 0.00 0.75 0.03 0.00 -1.18 0.00 0.00 61.69 61.29 2x05 s THR 649 Cb 0.00 -3.96 -0.06 0.00 1.34 0.00 0.00 72.50 69.82 2x05 s THR 649 CO 0.00 -0.60 0.04 -0.55 -0.54 0.00 0.00 174.62 172.97 2x05 s SER 650 N 4.77 2.04 0.00 3.99 0.15 -1.26 -4.81 113.70 118.58 2x05 s SER 650 Ca 0.69 -1.32 0.02 0.00 0.70 0.00 0.00 55.95 56.04 2x05 s SER 650 Cb -0.18 -0.02 0.03 0.00 -1.71 0.00 0.00 66.02 64.15 2x05 s SER 650 CO 0.33 -0.58 0.88 0.18 1.20 0.00 0.00 173.24 175.24 2x05 n LEU 651 N -0.56 1.80 -3.94 3.45 4.77 -0.87 -4.50 117.00 117.15 2x05 n LEU 651 Ca -0.03 -1.67 -0.09 0.00 -0.03 0.00 0.00 56.01 54.19 2x05 n LEU 651 Cb 0.65 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.67 2x05 n LEU 651 CO 0.40 0.45 0.13 -1.38 -1.33 0.00 0.00 177.39 175.66 2x05 s HIS 652 N -0.71 0.29 -1.41 -1.77 -3.43 -1.26 -1.01 115.29 105.99 2x05 s HIS 652 Ca 0.03 -0.65 -0.01 0.00 -0.80 0.00 0.00 55.06 53.63 2x05 s HIS 652 Cb 0.02 0.15 0.00 0.00 -1.43 0.00 0.00 32.58 31.31 2x05 s HIS 652 CO 0.02 -0.89 0.37 0.91 -2.00 0.00 0.00 174.74 173.15 2x05 n TRP 653 N -0.32 -1.59 -3.94 0.38 8.01 -0.22 -4.74 117.44 115.02 2x05 n TRP 653 Ca -0.05 0.70 -0.10 0.00 -1.31 0.00 0.00 57.50 56.75 2x05 n TRP 653 Cb 0.62 -3.58 -0.10 0.00 -2.01 0.00 0.00 31.31 26.24 2x05 n TRP 653 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.69 177.82 2x05 s GLN 654 N -6.67 0.41 -0.17 -0.99 -2.07 -1.19 -1.98 119.66 107.00 2x05 s GLN 654 Ca 0.03 -0.57 -0.17 0.00 -1.82 0.00 0.00 55.36 52.83 2x05 s GLN 654 Cb -0.01 0.16 -0.06 0.00 -1.09 0.00 0.00 33.01 32.01 2x05 s GLN 654 CO 0.91 -0.09 -0.33 1.28 -1.32 0.00 0.00 175.29 175.74 2x05 n LEU 655 N 1.40 1.86 -4.87 2.60 4.77 0.01 -4.79 117.00 117.99 2x05 n LEU 655 Ca -0.23 0.32 -0.29 0.00 -0.03 0.00 0.00 56.01 55.77 2x05 n LEU 655 Cb 0.56 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 2x05 n LEU 655 CO 0.21 -0.29 -0.18 0.72 -1.33 0.00 0.00 177.39 176.52 2x05 s PHE 656 N -2.83 3.37 0.75 -1.77 -0.12 -1.04 -3.40 117.98 112.93 2x05 s PHE 656 Ca -0.27 0.14 -0.03 0.00 -0.05 0.00 0.00 56.93 56.72 2x05 s PHE 656 Cb 0.04 -1.67 0.13 0.00 -0.63 0.00 0.00 43.02 40.89 2x05 s PHE 656 CO 0.41 0.55 1.03 0.16 -0.05 0.00 0.00 175.22 177.31 2x05 s ASP 657 N -2.67 4.22 0.58 1.98 1.47 -1.18 -4.35 116.67 116.73 2x05 s ASP 657 Ca 0.33 -0.27 0.29 0.00 1.18 0.00 0.00 52.55 54.07 2x05 s ASP 657 Cb -0.12 -0.08 1.47 0.00 -0.34 0.00 0.00 42.92 43.85 2x05 s ASP 657 CO 0.26 -1.95 1.90 0.00 0.68 0.00 0.00 175.17 176.06 2x05 h ALA 658 N -0.65 2.27 -0.48 2.11 0.00 -1.87 0.94 119.26 121.59 2x05 h ALA 658 Ca -0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2x05 h ALA 658 Cb 1.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2x05 h ALA 658 CO 0.40 -0.75 0.00 0.66 0.00 0.00 0.00 179.25 179.56 2x05 n TYR 659 N -3.82 0.63 -1.65 0.00 4.01 -1.26 -4.94 117.16 110.13 2x05 n TYR 659 Ca 0.10 -0.32 -0.11 0.00 -0.16 0.00 0.00 57.90 57.41 2x05 n TYR 659 Cb 0.70 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.70 2x05 n TYR 659 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2x05 n MET 660 N 1.55 -0.78 -2.23 -0.72 2.81 0.33 -4.75 117.12 113.33 2x05 n MET 660 Ca 0.21 0.73 -0.30 0.00 -1.81 0.00 0.00 57.70 56.53 2x05 n MET 660 Cb 0.62 -4.74 0.00 0.00 -0.71 0.00 0.00 33.22 28.39 2x05 n MET 660 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2x05 s ASP 661 N -2.75 6.28 -0.12 7.83 -1.08 -1.26 -4.62 116.67 120.95 2x05 s ASP 661 Ca 0.00 1.24 0.01 0.00 -0.52 0.00 0.00 52.55 53.27 2x05 s ASP 661 Cb 0.00 -2.39 0.02 0.00 -1.46 0.00 0.00 42.92 39.10 2x05 s ASP 661 CO 0.00 -0.72 -0.13 -1.10 0.52 0.00 0.00 175.17 173.74 2x05 s GLN 662 N -4.88 2.03 0.00 4.34 -0.21 -1.26 -3.07 119.66 116.61 2x05 s GLN 662 Ca 0.52 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 55.44 2x05 s GLN 662 Cb -0.11 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 32.03 2x05 s GLN 662 CO 0.48 -0.19 0.00 0.27 -2.12 0.00 0.00 175.29 173.73 2x05 n ASN 663 N 4.62 1.49 -0.27 5.90 6.94 -1.26 -4.89 115.26 127.79 2x05 n ASN 663 Ca -0.17 -0.41 0.03 0.00 -0.02 0.00 0.00 54.58 54.02 2x05 n ASN 663 Cb 0.50 0.00 0.24 0.00 -2.36 0.00 0.00 39.78 38.17 2x05 n ASN 663 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 2x05 h GLY 664 N 0.00 1.22 0.92 4.83 0.00 -1.87 -1.37 103.07 106.79 2x05 h GLY 664 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 2x05 h GLY 664 CO 0.00 0.33 -0.11 0.00 0.00 0.00 0.00 176.54 176.77 2x05 h ALA 665 N 1.51 -0.30 -0.21 3.60 0.00 -1.79 -0.27 119.26 121.81 2x05 h ALA 665 Ca 0.35 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.21 2x05 h ALA 665 Cb 0.10 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 2x05 h ALA 665 CO -0.11 -0.62 -0.41 -0.92 0.00 0.00 0.00 179.25 177.19 2x05 h TYR 666 N -0.38 -1.16 -0.49 0.00 3.20 -1.49 0.53 116.97 117.18 2x05 h TYR 666 Ca -0.03 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 2x05 h TYR 666 Cb 0.29 0.54 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 2x05 h TYR 666 CO -0.04 -0.45 0.04 1.88 -1.64 0.00 0.00 178.16 177.95 2x05 h TYR 667 N -0.43 0.83 -0.84 -3.82 0.05 -1.25 0.32 116.97 111.83 2x05 h TYR 667 Ca 0.10 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 2x05 h TYR 667 Cb 0.60 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.07 2x05 h TYR 667 CO -0.51 0.74 0.41 0.78 -1.05 0.00 0.00 178.16 178.53 2x05 h GLY 668 N 0.96 1.28 0.96 3.88 0.00 -0.61 0.13 103.07 109.68 2x05 h GLY 668 Ca 0.15 -0.63 -0.13 0.00 0.00 0.00 0.00 47.33 46.73 2x05 h GLY 668 CO 0.01 0.60 -0.34 0.00 0.00 0.00 0.00 176.54 176.81 2x05 h ALA 669 N 1.26 0.38 -0.17 3.60 0.00 0.05 -2.62 119.26 121.74 2x05 h ALA 669 Ca 0.29 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2x05 h ALA 669 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2x05 h ALA 669 CO -0.04 0.44 0.02 -0.22 0.00 0.00 0.00 179.25 179.45 2x05 h LYS 670 N 0.39 0.09 -0.21 0.00 3.64 -0.18 -2.26 116.57 118.04 2x05 h LYS 670 Ca 0.03 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2x05 h LYS 670 Cb 0.93 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.70 2x05 h LYS 670 CO 0.08 0.06 0.05 -0.22 -2.27 0.00 0.00 179.45 177.15 2x05 h LYS 671 N 0.09 0.13 -0.74 1.90 1.63 -1.01 -2.57 116.57 116.01 2x05 h LYS 671 Ca 0.08 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.91 2x05 h LYS 671 Cb 0.08 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 2x05 h LYS 671 CO -0.11 0.09 0.49 0.00 -3.45 0.00 0.00 179.45 176.46 2x05 h ALA 672 N 1.15 1.57 -0.55 5.00 0.00 -1.20 -2.93 119.26 122.31 2x05 h ALA 672 Ca 0.09 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2x05 h ALA 672 Cb 0.08 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2x05 h ALA 672 CO -0.12 0.35 0.14 0.09 0.00 0.00 0.00 179.25 179.71 2x05 n ASN 673 N -4.46 4.48 -4.77 0.00 3.02 -0.87 -4.83 115.26 107.83 2x05 n ASN 673 Ca 0.09 -2.88 -0.40 0.00 -0.03 0.00 0.00 54.58 51.36 2x05 n ASN 673 Cb 0.13 -0.68 -0.00 0.00 -0.61 0.00 0.00 39.78 38.61 2x05 n ASN 673 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2x05 s GLU 674 N -2.46 4.06 0.47 3.52 2.02 -1.11 -4.50 118.70 120.70 2x05 s GLU 674 Ca 0.44 2.39 0.17 0.00 0.02 0.00 0.00 54.97 57.99 2x05 s GLU 674 Cb 0.34 -2.90 1.12 0.00 0.10 0.00 0.00 34.13 32.79 2x05 s GLU 674 CO 0.12 -0.50 2.03 -1.00 0.02 0.00 0.00 175.26 175.92 2x05 h PRO 675 N 2.90 0.00 -3.42 0.39 0.13 -1.92 -3.35 132.00 126.73 2x05 h PRO 675 Ca -0.50 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.07 2x05 h PRO 675 Cb 1.24 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.97 2x05 h PRO 675 CO 0.64 0.15 -0.76 -1.17 -0.23 0.00 0.00 178.00 176.63 2x05 s LEU 676 N -8.46 1.75 0.02 1.56 2.96 -1.26 0.15 118.68 115.40 2x05 s LEU 676 Ca -0.04 -1.44 0.05 0.00 -0.22 0.00 0.00 54.13 52.49 2x05 s LEU 676 Cb 0.15 -0.73 -0.02 0.00 0.50 0.00 0.00 46.19 46.10 2x05 s LEU 676 CO 0.67 -0.40 -0.16 -2.28 -1.32 0.00 0.00 176.35 172.86 2x05 s HIS 677 N 1.75 1.44 -0.05 5.38 5.65 -0.50 -4.30 115.29 124.65 2x05 s HIS 677 Ca 0.08 -0.32 0.04 0.00 0.25 0.00 0.00 55.06 55.11 2x05 s HIS 677 Cb -0.17 -0.88 -0.02 0.00 -1.18 0.00 0.00 32.58 30.32 2x05 s HIS 677 CO -0.25 0.02 -0.16 -1.50 -0.65 0.00 0.00 174.74 172.21 2x05 s ILE 678 N -0.63 2.88 0.13 0.89 2.07 -1.26 -0.62 121.20 124.66 2x05 s ILE 678 Ca 0.05 -0.78 -0.07 0.00 -1.41 0.00 0.00 60.65 58.44 2x05 s ILE 678 Cb -0.07 -2.12 -0.02 0.00 0.13 0.00 0.00 42.46 40.38 2x05 s ILE 678 CO 0.01 0.58 0.19 0.00 -1.91 0.00 0.00 174.94 173.81 2x05 s GLN 679 N -0.58 0.98 -0.20 3.50 -2.07 0.22 -4.70 119.66 116.82 2x05 s GLN 679 Ca 0.08 -1.17 -0.01 0.00 -1.82 0.00 0.00 55.36 52.44 2x05 s GLN 679 Cb -0.11 0.33 0.01 0.00 -1.09 0.00 0.00 33.01 32.14 2x05 s GLN 679 CO 0.01 -0.32 -0.12 -0.47 -1.32 0.00 0.00 175.29 173.07 2x05 s TYR 680 N -3.95 2.87 -0.36 9.60 5.04 -1.26 -0.99 117.35 128.29 2x05 s TYR 680 Ca 0.14 -1.29 -0.29 0.00 -2.44 0.00 0.00 57.07 53.20 2x05 s TYR 680 Cb 0.05 -2.01 0.01 0.00 0.35 0.00 0.00 41.96 40.36 2x05 s TYR 680 CO -0.04 -0.67 1.20 -1.12 -1.34 0.00 0.00 175.55 173.58 2x05 s SER 681 N 1.37 6.72 0.65 4.32 0.01 -0.14 -4.91 113.70 121.71 2x05 s SER 681 Ca 0.05 0.94 0.37 0.00 1.31 0.00 0.00 55.95 58.61 2x05 s SER 681 Cb -0.14 -2.54 2.03 0.00 0.21 0.00 0.00 66.02 65.58 2x05 s SER 681 CO -0.08 -1.09 2.20 0.45 0.41 0.00 0.00 173.24 175.13 2x05 h HIS 682 N 9.01 0.00 0.00 2.43 3.86 -1.95 -0.71 115.15 127.80 2x05 h HIS 682 Ca -0.24 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.97 2x05 h HIS 682 Cb 1.08 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.55 2x05 h HIS 682 CO 0.90 0.00 -0.02 0.38 0.86 0.00 0.00 177.93 180.04 2x05 h ASP 683 N 0.00 0.00 -0.03 2.45 2.03 -1.91 -3.42 116.42 115.54 2x05 h ASP 683 Ca 0.02 -0.55 0.00 0.00 -0.73 0.00 0.00 57.03 55.76 2x05 h ASP 683 Cb 0.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.76 2x05 h ASP 683 CO -0.00 0.79 0.00 -0.46 -1.03 0.00 0.00 179.24 178.54 2x05 n ASN 684 N -4.68 1.52 0.00 4.15 0.23 -1.23 -5.00 115.26 110.25 2x05 n ASN 684 Ca -0.06 -1.33 0.00 0.00 -0.53 0.00 0.00 54.58 52.66 2x05 n ASN 684 Cb 0.27 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 2x05 n ASN 684 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2x05 n ARG 685 N 0.15 -0.04 -1.76 -3.83 1.74 -0.27 -4.78 116.66 107.87 2x05 n ARG 685 Ca 0.03 0.01 -0.39 0.00 -0.77 0.00 0.00 57.85 56.72 2x05 n ARG 685 Cb 0.14 -3.17 0.03 0.00 -1.02 0.00 0.00 32.46 28.44 2x05 n ARG 685 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2x05 s SER 686 N -2.64 5.59 -0.26 0.55 1.04 -1.26 -3.12 113.70 113.60 2x05 s SER 686 Ca 0.00 2.89 -0.08 0.00 0.48 0.00 0.00 55.95 59.24 2x05 s SER 686 Cb 0.00 -2.65 -0.03 0.00 0.10 0.00 0.00 66.02 63.45 2x05 s SER 686 CO 0.00 -1.37 0.10 -0.69 0.98 0.00 0.00 173.24 172.26 2x05 s VAL 687 N -1.23 4.44 0.00 5.02 1.01 0.52 -0.97 120.40 129.20 2x05 s VAL 687 Ca 0.66 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.50 2x05 s VAL 687 Cb -0.43 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 2x05 s VAL 687 CO 0.54 0.28 -0.20 -0.69 0.00 0.00 0.00 175.10 175.02 2x05 s VAL 688 N 1.62 1.63 -0.14 2.92 1.01 -0.16 0.06 120.40 127.34 2x05 s VAL 688 Ca 0.06 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 2x05 s VAL 688 Cb -0.16 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 2x05 s VAL 688 CO 0.05 0.39 -0.01 -0.69 0.00 0.00 0.00 175.10 174.84 2x05 s VAL 689 N -0.56 4.17 -0.09 2.92 1.01 0.09 -0.61 120.40 127.32 2x05 s VAL 689 Ca 0.08 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.83 2x05 s VAL 689 Cb -0.08 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.48 2x05 s VAL 689 CO -0.00 0.52 -0.23 -0.63 0.00 0.00 0.00 175.10 174.76 2x05 s ILE 690 N -0.05 2.15 -0.38 2.22 -1.09 0.21 -0.44 121.20 123.82 2x05 s ILE 690 Ca 0.03 -1.00 -0.05 0.00 -2.23 0.00 0.00 60.65 57.40 2x05 s ILE 690 Cb -0.13 -1.82 0.08 0.00 -1.58 0.00 0.00 42.46 39.01 2x05 s ILE 690 CO 0.02 0.56 0.16 0.21 -1.23 0.00 0.00 174.94 174.66 2x05 s ASN 691 N 0.22 5.31 0.39 3.58 2.47 -0.50 -1.41 114.94 125.01 2x05 s ASN 691 Ca -0.15 -1.55 0.21 0.00 0.42 0.00 0.00 52.86 51.79 2x05 s ASN 691 Cb -0.17 -1.86 0.26 0.00 -1.45 0.00 0.00 41.25 38.03 2x05 s ASN 691 CO 0.08 -0.44 1.54 1.56 -3.72 0.00 0.00 177.10 176.11 2x05 h GLN 692 N 8.18 0.00 -7.31 0.43 1.08 -0.55 0.58 115.11 117.51 2x05 h GLN 692 Ca -0.20 0.00 -0.44 0.00 -1.45 0.00 0.00 58.65 56.57 2x05 h GLN 692 Cb 1.07 0.00 0.18 0.00 -0.05 0.00 0.00 27.48 28.68 2x05 h GLN 692 CO 0.66 0.11 0.13 0.95 -0.95 0.00 0.00 178.83 179.73 2x05 s THR 693 N -3.16 1.90 -2.35 -0.54 -4.23 -1.20 -3.81 115.64 102.24 2x05 s THR 693 Ca 0.06 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 60.84 2x05 s THR 693 Cb 0.06 -2.39 0.44 0.00 1.34 0.00 0.00 72.50 71.95 2x05 s THR 693 CO 0.69 0.00 1.65 -1.54 -0.54 0.00 0.00 174.62 174.88 2x05 n SER 694 N -4.52 1.52 -4.33 3.99 3.41 -1.26 0.67 113.62 113.09 2x05 n SER 694 Ca 0.06 -1.40 -0.30 0.00 -0.26 0.00 0.00 58.87 56.97 2x05 n SER 694 Cb 0.57 0.04 -0.15 0.00 -0.26 0.00 0.00 64.21 64.41 2x05 n SER 694 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2x05 s ASN 695 N -2.13 3.11 0.60 4.04 0.01 -1.26 -4.78 114.94 114.54 2x05 s ASN 695 Ca 0.34 -0.54 -0.20 0.00 -0.71 0.00 0.00 52.86 51.75 2x05 s ASN 695 Cb 0.20 -0.31 -0.03 0.00 0.41 0.00 0.00 41.25 41.53 2x05 s ASN 695 CO 0.38 0.28 1.33 0.00 -1.51 0.00 0.00 177.10 177.58 2x05 s ALA 696 N -0.73 2.58 -0.05 0.60 0.00 -1.26 -4.52 121.76 118.37 2x05 s ALA 696 Ca 0.11 1.29 0.01 0.00 0.00 0.00 0.00 51.96 53.37 2x05 s ALA 696 Cb -0.10 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.47 2x05 s ALA 696 CO 0.01 -1.52 -0.07 0.08 0.00 0.00 0.00 175.76 174.25 2x05 s VAL 697 N -1.34 0.76 0.52 0.00 1.01 -0.84 -4.97 120.40 115.55 2x05 s VAL 697 Ca 0.78 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.52 2x05 s VAL 697 Cb -0.39 -0.75 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 2x05 s VAL 697 CO 0.44 0.28 0.03 -0.94 0.00 0.00 0.00 175.10 174.91 2x05 s SER 698 N 0.85 4.19 -1.23 3.32 1.04 -1.26 -1.05 113.70 119.56 2x05 s SER 698 Ca -0.12 -1.64 -0.01 0.00 0.48 0.00 0.00 55.95 54.66 2x05 s SER 698 Cb -0.15 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2x05 s SER 698 CO 0.01 -0.90 0.17 0.61 0.98 0.00 0.00 173.24 174.11 2x05 n GLY 699 N -1.33 -0.23 3.83 7.32 0.00 -1.13 -4.43 105.19 109.23 2x05 n GLY 699 Ca -0.19 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 2x05 n GLY 699 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x05 s LEU 700 N -4.59 4.20 -0.08 0.99 1.43 -0.45 -1.72 118.68 118.46 2x05 s LEU 700 Ca 0.08 1.32 0.03 0.00 -1.03 0.00 0.00 54.13 54.54 2x05 s LEU 700 Cb -0.04 -3.82 0.01 0.00 0.03 0.00 0.00 46.19 42.37 2x05 s LEU 700 CO 0.10 -0.09 -0.17 0.28 0.23 0.00 0.00 176.35 176.71 2x05 s THR 701 N -1.76 1.53 -0.22 5.49 -1.32 -0.65 -0.89 115.64 117.82 2x05 s THR 701 Ca 0.48 -0.70 -0.08 0.00 -1.21 0.00 0.00 61.69 60.19 2x05 s THR 701 Cb -0.13 -1.36 -0.04 0.00 -1.51 0.00 0.00 72.50 69.46 2x05 s THR 701 CO 0.19 0.44 0.08 0.00 -2.21 0.00 0.00 174.62 173.12 2x05 s ALA 702 N 0.59 3.32 -0.19 11.08 0.00 0.16 -1.78 121.76 134.94 2x05 s ALA 702 Ca -0.15 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 2x05 s ALA 702 Cb -0.16 -2.05 0.01 0.00 0.00 0.00 0.00 23.12 20.91 2x05 s ALA 702 CO 0.05 -0.18 -0.14 0.99 0.00 0.00 0.00 175.76 176.48 2x05 s THR 703 N 1.04 2.59 -0.02 0.00 2.01 0.01 -0.33 115.64 120.94 2x05 s THR 703 Ca 0.05 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.32 2x05 s THR 703 Cb -0.14 -2.13 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 2x05 s THR 703 CO 0.03 0.50 -0.14 0.28 -0.69 0.00 0.00 174.62 174.60 2x05 s THR 704 N 1.27 1.13 -0.00 -0.82 -1.32 -0.53 -0.28 115.64 115.09 2x05 s THR 704 Ca 0.03 -0.59 -0.01 0.00 -1.21 0.00 0.00 61.69 59.92 2x05 s THR 704 Cb -0.14 -0.96 -0.00 0.00 -1.51 0.00 0.00 72.50 69.89 2x05 s THR 704 CO -0.07 0.33 0.01 -0.54 -2.21 0.00 0.00 174.62 172.14 2x05 s LYS 705 N -0.14 0.13 -0.11 7.08 1.02 -0.04 -0.66 119.74 127.02 2x05 s LYS 705 Ca 0.02 -0.17 0.01 0.00 0.02 0.00 0.00 55.97 55.85 2x05 s LYS 705 Cb -0.08 0.05 -0.02 0.00 -0.52 0.00 0.00 37.83 37.27 2x05 s LYS 705 CO 0.00 -0.02 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.76 2x05 s LEU 706 N -0.47 2.66 -0.02 3.17 1.43 -0.61 -0.09 118.68 124.75 2x05 s LEU 706 Ca -0.05 -0.32 0.06 0.00 -1.03 0.00 0.00 54.13 52.79 2x05 s LEU 706 Cb -0.03 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 2x05 s LEU 706 CO -0.00 0.21 -0.18 -0.31 0.23 0.00 0.00 176.35 176.29 2x05 s TYR 707 N 0.08 1.65 0.89 0.29 1.51 -0.28 -0.02 117.35 121.46 2x05 s TYR 707 Ca -0.06 -0.32 -0.12 0.00 -1.01 0.00 0.00 57.07 55.56 2x05 s TYR 707 Cb -0.15 -1.07 0.12 0.00 -0.11 0.00 0.00 41.96 40.76 2x05 s TYR 707 CO 0.05 -0.03 1.10 -0.80 -1.11 0.00 0.00 175.55 174.75 2x05 s ASN 708 N -0.41 3.62 0.07 2.29 0.01 -0.39 -0.74 114.94 119.39 2x05 s ASN 708 Ca 0.07 1.35 0.23 0.00 -0.71 0.00 0.00 52.86 53.79 2x05 s ASN 708 Cb -0.07 -2.03 0.92 0.00 0.41 0.00 0.00 41.25 40.47 2x05 s ASN 708 CO -0.01 -2.53 1.71 0.18 -1.51 0.00 0.00 177.10 174.95 2x05 n LEU 709 N -3.80 0.22 0.16 0.60 4.77 -1.26 -1.95 117.00 115.74 2x05 n LEU 709 Ca 0.07 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.71 2x05 n LEU 709 Cb 0.56 -0.48 0.21 0.00 -2.33 0.00 0.00 43.42 41.38 2x05 n LEU 709 CO 0.56 -0.20 0.70 -2.24 -1.33 0.00 0.00 177.39 174.88 2x05 h ASP 710 N 0.00 0.00 0.00 -1.43 3.04 -1.95 -3.42 116.42 112.67 2x05 h ASP 710 Ca 0.00 -0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.77 2x05 h ASP 710 Cb 0.43 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.72 2x05 h ASP 710 CO 0.00 0.01 0.00 0.61 -2.04 0.00 0.00 179.24 177.82 2x05 n GLY 711 N 1.19 1.15 3.63 7.15 0.00 -0.82 -4.66 105.19 112.83 2x05 n GLY 711 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2x05 n GLY 711 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x05 s THR 712 N -2.00 3.30 0.33 2.61 2.01 -1.26 -4.76 115.64 115.86 2x05 s THR 712 Ca 0.00 0.34 -0.29 0.00 0.31 0.00 0.00 61.69 62.05 2x05 s THR 712 Cb 0.00 -3.29 -0.11 0.00 0.01 0.00 0.00 72.50 69.11 2x05 s THR 712 CO 0.00 -0.11 1.47 -0.70 -0.69 0.00 0.00 174.62 174.59 2x05 s GLU 713 N 5.01 4.19 0.00 4.92 2.12 -1.26 -1.26 118.70 132.42 2x05 s GLU 713 Ca 0.85 2.46 0.00 0.00 0.36 0.00 0.00 54.97 58.63 2x05 s GLU 713 Cb -0.33 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.03 2x05 s GLU 713 CO 0.35 -0.47 0.00 1.63 -0.54 0.00 0.00 175.26 176.23 2x05 n LYS 714 N 1.25 2.76 -3.72 4.30 4.76 0.97 -4.91 118.16 123.57 2x05 n LYS 714 Ca 0.03 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.34 2x05 n LYS 714 Cb 0.39 -0.70 -0.09 0.00 -1.84 0.00 0.00 35.03 32.79 2x05 n LYS 714 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 2x05 s TYR 715 N -1.23 -0.37 -0.10 2.13 5.04 -1.16 -4.95 117.35 116.71 2x05 s TYR 715 Ca 0.00 0.78 -0.08 0.00 -2.44 0.00 0.00 57.07 55.32 2x05 s TYR 715 Cb 0.00 0.16 0.03 0.00 0.35 0.00 0.00 41.96 42.50 2x05 s TYR 715 CO 0.00 -0.33 0.26 0.45 -1.34 0.00 0.00 175.55 174.58 2x05 s SER 716 N -0.56 -0.27 -0.01 4.32 0.15 -1.26 -1.58 113.70 114.48 2x05 s SER 716 Ca -0.07 0.52 -0.02 0.00 0.70 0.00 0.00 55.95 57.08 2x05 s SER 716 Cb -0.04 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2x05 s SER 716 CO 0.03 -0.10 0.05 0.21 1.20 0.00 0.00 173.24 174.63 2x05 s ASN 717 N 0.33 -0.01 -0.03 5.45 2.47 0.16 -5.01 114.94 118.30 2x05 s ASN 717 Ca -0.02 -0.00 0.04 0.00 0.42 0.00 0.00 52.86 53.30 2x05 s ASN 717 Cb -0.03 0.13 -0.00 0.00 -1.45 0.00 0.00 41.25 39.89 2x05 s ASN 717 CO -0.01 -0.10 -0.16 -0.89 -3.72 0.00 0.00 177.10 172.22 2x05 s THR 718 N -0.33 1.32 -0.06 -5.21 2.01 -1.26 -1.45 115.64 110.66 2x05 s THR 718 Ca -0.04 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.29 2x05 s THR 718 Cb -0.03 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.38 2x05 s THR 718 CO 0.00 0.38 -0.03 -0.75 -0.69 0.00 0.00 174.62 173.53 2x05 s LYS 719 N -0.03 0.85 0.39 4.92 2.47 0.55 -4.99 119.74 123.91 2x05 s LYS 719 Ca -0.02 -0.06 0.08 0.00 -1.56 0.00 0.00 55.97 54.41 2x05 s LYS 719 Cb -0.10 -0.98 -0.04 0.00 -1.46 0.00 0.00 37.83 35.25 2x05 s LYS 719 CO 0.01 -0.17 0.23 0.95 0.16 0.00 0.00 175.35 176.53 2x05 s THR 720 N 1.35 2.70 -1.37 3.43 -4.23 -1.26 0.40 115.64 116.66 2x05 s THR 720 Ca -0.04 -1.58 -0.08 0.00 -1.18 0.00 0.00 61.69 58.81 2x05 s THR 720 Cb -0.13 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.73 2x05 s THR 720 CO -0.02 -0.07 1.10 0.61 -0.54 0.00 0.00 174.62 175.70 2x05 n GLY 721 N -1.30 -0.50 3.70 3.99 0.00 -0.44 -4.93 105.19 105.70 2x05 n GLY 721 Ca -0.00 0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2x05 n GLY 721 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x05 s LEU 722 N -7.16 4.29 -0.02 0.99 1.43 -0.07 -4.73 118.68 113.41 2x05 s LEU 722 Ca 0.50 1.27 0.07 0.00 -1.03 0.00 0.00 54.13 54.94 2x05 s LEU 722 Cb -0.23 -3.21 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 2x05 s LEU 722 CO 0.75 -0.22 -0.23 -0.94 0.23 0.00 0.00 176.35 175.94 2x05 s SER 723 N 0.94 2.74 -0.02 2.29 1.04 -1.26 -1.34 113.70 118.09 2x05 s SER 723 Ca 0.40 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.41 2x05 s SER 723 Cb -0.18 -0.36 0.03 0.00 0.10 0.00 0.00 66.02 65.61 2x05 s SER 723 CO 0.18 0.28 0.02 0.54 0.98 0.00 0.00 173.24 175.25 2x05 s VAL 724 N -0.49 -0.02 1.44 5.02 0.11 -0.22 -4.84 120.40 121.39 2x05 s VAL 724 Ca 0.07 0.18 -0.23 0.00 -2.93 0.00 0.00 61.98 59.08 2x05 s VAL 724 Cb -0.09 -0.10 0.37 0.00 -1.53 0.00 0.00 36.38 35.03 2x05 s VAL 724 CO -0.00 0.09 0.92 -0.83 -3.33 0.00 0.00 175.10 171.94 2x05 s GLY 725 N 0.98 1.40 0.60 6.54 0.00 -1.26 -1.99 107.32 113.59 2x05 s GLY 725 Ca -0.08 -0.79 -0.07 0.00 0.00 0.00 0.00 44.72 43.78 2x05 s GLY 725 CO -0.03 0.23 0.93 0.00 0.00 0.00 0.00 173.10 174.23 2x05 s ALA 726 N -2.22 3.22 -1.28 3.20 0.00 -1.26 -4.24 121.76 119.19 2x05 s ALA 726 Ca 0.68 -0.55 -0.04 0.00 0.00 0.00 0.00 51.96 52.05 2x05 s ALA 726 Cb -0.14 -2.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 2x05 s ALA 726 CO 0.58 -0.79 0.68 1.28 0.00 0.00 0.00 175.76 177.52 2x05 n LEU 727 N -2.63 -3.10 0.00 0.00 4.77 0.21 -2.84 117.00 113.41 2x05 n LEU 727 Ca 0.04 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 2x05 n LEU 727 Cb 0.57 -2.59 0.00 0.00 -2.33 0.00 0.00 43.42 39.07 2x05 n LEU 727 CO 0.54 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 2x05 n GLY 728 N -1.63 1.87 3.61 -0.72 0.00 0.20 -4.72 105.19 103.79 2x05 n GLY 728 Ca -0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 2x05 n GLY 728 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x05 s ALA 729 N -2.26 0.67 0.23 4.61 0.00 -1.13 -4.66 121.76 119.22 2x05 s ALA 729 Ca 0.00 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.14 2x05 s ALA 729 Cb 0.00 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 2x05 s ALA 729 CO 0.00 -3.13 0.09 -1.59 0.00 0.00 0.00 175.76 171.13 2x05 s LYS 730 N -4.62 1.31 -0.01 0.00 -2.85 -1.26 -1.41 119.74 110.89 2x05 s LYS 730 Ca 0.67 -1.69 -0.14 0.00 -1.00 0.00 0.00 55.97 53.80 2x05 s LYS 730 Cb -0.23 -0.12 0.02 0.00 -2.06 0.00 0.00 37.83 35.44 2x05 s LYS 730 CO 0.61 -0.29 0.30 0.00 0.10 0.00 0.00 175.35 176.06 2x05 s ALA 731 N -3.85 -0.75 -0.20 0.59 0.00 0.41 -4.69 121.76 113.29 2x05 s ALA 731 Ca 0.36 0.28 -0.17 0.00 0.00 0.00 0.00 51.96 52.43 2x05 s ALA 731 Cb 0.07 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2x05 s ALA 731 CO 0.12 -0.26 0.44 0.99 0.00 0.00 0.00 175.76 177.04 2x05 s THR 732 N -1.36 5.17 -0.10 0.00 2.01 -1.26 -0.73 115.64 119.37 2x05 s THR 732 Ca -0.14 0.79 -0.21 0.00 0.31 0.00 0.00 61.69 62.44 2x05 s THR 732 Cb -0.05 -3.76 -0.28 0.00 0.01 0.00 0.00 72.50 68.41 2x05 s THR 732 CO 0.04 0.23 0.70 0.00 -0.69 0.00 0.00 174.62 174.90 2x05 h ALA 733 N 7.38 0.04 -2.37 7.40 0.00 -0.75 -3.49 119.26 127.48 2x05 h ALA 733 Ca -0.35 -0.83 0.11 0.00 0.00 0.00 0.00 54.91 53.83 2x05 h ALA 733 Cb 1.16 0.26 -0.13 0.00 0.00 0.00 0.00 17.79 19.08 2x05 h ALA 733 CO 0.72 0.48 0.46 0.54 0.00 0.00 0.00 179.25 181.46 2x05 s VAL 734 N -2.40 0.00 -0.32 0.00 0.11 -1.23 -4.90 120.40 111.66 2x05 s VAL 734 Ca -0.18 -0.16 -0.05 0.00 -2.93 0.00 0.00 61.98 58.65 2x05 s VAL 734 Cb 0.02 -1.24 0.03 0.00 -1.53 0.00 0.00 36.38 33.66 2x05 s VAL 734 CO 0.76 0.00 0.07 -0.89 -3.33 0.00 0.00 175.10 171.71 2x05 s THR 735 N -3.23 3.64 -0.04 5.04 2.01 -1.26 -0.35 115.64 121.44 2x05 s THR 735 Ca 0.06 -1.08 -0.33 0.00 0.31 0.00 0.00 61.69 60.65 2x05 s THR 735 Cb -0.01 -3.02 -0.11 0.00 0.01 0.00 0.00 72.50 69.37 2x05 s THR 735 CO -0.07 -0.10 1.90 0.52 -0.69 0.00 0.00 174.62 176.19 2x05 n VAL 736 N 4.78 0.62 -1.77 3.82 0.31 -1.18 -4.96 118.33 119.95 2x05 n VAL 736 Ca -0.13 -0.11 -0.29 0.00 -0.01 0.00 0.00 64.34 63.79 2x05 n VAL 736 Cb 0.45 -2.00 0.14 0.00 -0.91 0.00 0.00 33.84 31.52 2x05 n VAL 736 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2x05 s PRO 737 N 4.09 1.16 0.01 5.55 0.04 -1.26 -4.88 135.00 139.71 2x05 s PRO 737 Ca 0.91 -0.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.63 2x05 s PRO 737 Cb -0.61 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 31.99 2x05 s PRO 737 CO 0.48 -2.12 1.60 0.00 0.04 0.00 0.00 177.00 177.00 2x05 s ALA 738 N -3.57 3.64 -0.18 8.56 0.00 -1.26 -4.98 121.76 123.96 2x05 s ALA 738 Ca 0.67 1.03 -0.02 0.00 0.00 0.00 0.00 51.96 53.64 2x05 s ALA 738 Cb -0.10 -3.70 -0.00 0.00 0.00 0.00 0.00 23.12 19.32 2x05 s ALA 738 CO 0.52 -1.18 -0.11 0.08 0.00 0.00 0.00 175.76 175.07 2x05 s VAL 739 N 3.15 2.99 0.42 0.00 1.01 -1.26 -5.10 120.40 121.61 2x05 s VAL 739 Ca 0.72 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 2x05 s VAL 739 Cb -0.35 -2.31 -0.08 0.00 0.00 0.00 0.00 36.38 33.64 2x05 s VAL 739 CO 0.30 0.48 1.14 -0.44 0.00 0.00 0.00 175.10 176.58 2x05 s SER 740 N 1.07 6.43 0.00 3.32 0.01 -1.26 -4.06 113.70 119.20 2x05 s SER 740 Ca 0.00 2.26 0.00 0.00 1.31 0.00 0.00 55.95 59.52 2x05 s SER 740 Cb -0.15 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2x05 s SER 740 CO -0.02 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.50 2x05 n GLY 741 N 0.49 0.59 3.72 3.44 0.00 -1.26 -5.04 105.19 107.13 2x05 n GLY 741 Ca 0.06 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2x05 n GLY 741 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x05 s LEU 742 N 0.00 4.41 0.78 0.99 1.43 -1.26 -4.98 118.68 120.05 2x05 s LEU 742 Ca 0.00 2.13 -0.14 0.00 -1.03 0.00 0.00 54.13 55.09 2x05 s LEU 742 Cb 0.00 -3.59 0.07 0.00 0.03 0.00 0.00 46.19 42.69 2x05 s LEU 742 CO 0.00 -0.42 1.19 -0.94 0.23 0.00 0.00 176.35 176.41 2x05 s SER 743 N 0.60 3.89 0.16 2.29 1.04 -1.26 -4.92 113.70 115.51 2x05 s SER 743 Ca 0.56 2.31 -0.15 0.00 0.48 0.00 0.00 55.95 59.14 2x05 s SER 743 Cb -0.31 -2.58 0.07 0.00 0.10 0.00 0.00 66.02 63.29 2x05 s SER 743 CO 0.33 -2.46 1.79 0.74 0.98 0.00 0.00 173.24 174.61 2x05 h THR 744 N -0.70 1.01 -3.41 2.02 2.02 -1.93 -3.31 112.91 108.60 2x05 h THR 744 Ca -0.46 -0.16 -0.61 0.00 0.77 0.00 0.00 66.41 65.94 2x05 h THR 744 Cb 1.29 0.50 -0.14 0.00 -1.74 0.00 0.00 68.15 68.05 2x05 h THR 744 CO 0.48 0.09 -0.52 -0.89 0.37 0.00 0.00 175.52 175.04 2x05 s THR 745 N -6.15 5.20 0.30 3.16 2.01 -1.26 -1.03 115.64 117.88 2x05 s THR 745 Ca -0.13 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.02 2x05 s THR 745 Cb 0.12 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 2x05 s THR 745 CO 0.72 0.40 0.18 -0.72 -0.69 0.00 0.00 174.62 174.52 2x05 s TYR 746 N 0.69 1.59 -0.04 4.92 -0.85 0.35 -4.25 117.35 119.77 2x05 s TYR 746 Ca 0.07 -1.43 0.06 0.00 -0.52 0.00 0.00 57.07 55.25 2x05 s TYR 746 Cb -0.12 -0.81 -0.02 0.00 0.38 0.00 0.00 41.96 41.38 2x05 s TYR 746 CO 0.01 -0.59 -0.22 -0.51 -1.52 0.00 0.00 175.55 172.72 2x05 s LEU 747 N -3.36 2.27 -0.17 -3.49 1.43 0.08 0.12 118.68 115.56 2x05 s LEU 747 Ca 0.36 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 2x05 s LEU 747 Cb 0.05 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.82 2x05 s LEU 747 CO 0.19 0.30 -0.03 0.00 0.23 0.00 0.00 176.35 177.04 2x05 s ALA 748 N -0.51 2.98 -0.27 4.21 0.00 0.18 -1.13 121.76 127.22 2x05 s ALA 748 Ca 0.07 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.15 2x05 s ALA 748 Cb -0.11 -1.60 0.05 0.00 0.00 0.00 0.00 23.12 21.46 2x05 s ALA 748 CO 0.01 0.09 -0.07 0.21 0.00 0.00 0.00 175.76 176.00 2x05 s LYS 749 N 0.57 2.42 -0.18 0.00 2.20 0.87 -0.29 119.74 125.33 2x05 s LYS 749 Ca -0.03 -1.25 -0.07 0.00 -0.36 0.00 0.00 55.97 54.27 2x05 s LYS 749 Cb -0.14 -3.00 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 2x05 s LYS 749 CO 0.03 -0.55 0.04 -0.80 -0.36 0.00 0.00 175.35 173.70 2x05 s ASN 750 N 1.19 5.41 -0.03 1.43 0.02 0.36 -0.86 114.94 122.46 2x05 s ASN 750 Ca -0.06 0.01 0.02 0.00 -1.02 0.00 0.00 52.86 51.81 2x05 s ASN 750 Cb -0.19 -1.92 0.01 0.00 0.02 0.00 0.00 41.25 39.17 2x05 s ASN 750 CO -0.04 0.16 -0.07 -0.69 0.02 0.00 0.00 177.10 176.49 2x05 s VAL 751 N 0.45 0.62 -0.13 1.60 1.01 0.62 -0.63 120.40 123.94 2x05 s VAL 751 Ca 0.02 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2x05 s VAL 751 Cb -0.13 -0.58 -0.00 0.00 0.00 0.00 0.00 36.38 35.67 2x05 s VAL 751 CO 0.01 0.21 -0.18 -0.22 0.00 0.00 0.00 175.10 174.92 2x05 s LEU 752 N 0.43 2.36 0.10 3.92 2.96 0.61 -0.81 118.68 128.25 2x05 s LEU 752 Ca -0.06 -0.49 0.10 0.00 -0.22 0.00 0.00 54.13 53.47 2x05 s LEU 752 Cb -0.10 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 2x05 s LEU 752 CO 0.00 0.12 -0.26 0.42 -1.32 0.00 0.00 176.35 175.32 2x05 s THR 753 N 0.58 2.15 0.55 3.68 -4.23 -0.74 -1.20 115.64 116.43 2x05 s THR 753 Ca -0.11 -1.61 -0.04 0.00 -1.18 0.00 0.00 61.69 58.75 2x05 s THR 753 Cb -0.16 -1.89 0.01 0.00 1.34 0.00 0.00 72.50 71.80 2x05 s THR 753 CO 0.03 0.16 0.83 1.51 -0.54 0.00 0.00 174.62 176.61 2x05 s ASP 754 N -1.78 5.61 0.56 3.99 1.47 -0.11 -1.64 116.67 124.76 2x05 s ASP 754 Ca 0.12 0.54 0.41 0.00 1.18 0.00 0.00 52.55 54.80 2x05 s ASP 754 Cb -0.10 -1.58 1.58 0.00 -0.34 0.00 0.00 42.92 42.48 2x05 s ASP 754 CO 0.05 -0.99 1.69 0.77 0.68 0.00 0.00 175.17 177.36 2x05 h SER 755 N -0.02 0.00 0.10 2.11 4.64 -1.55 1.66 113.55 120.50 2x05 h SER 755 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2x05 h SER 755 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2x05 h SER 755 CO 0.59 0.00 -0.07 -1.54 -0.87 0.00 0.00 176.83 174.94 2x05 n SER 756 N -4.00 1.04 0.00 4.97 3.41 -1.26 -4.93 113.62 112.85 2x05 n SER 756 Ca 0.32 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 2x05 n SER 756 Cb 1.53 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 65.49 2x05 n SER 756 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x05 n GLY 757 N 1.21 0.70 3.79 5.00 0.00 0.57 -5.05 105.19 111.40 2x05 n GLY 757 Ca 0.17 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2x05 n GLY 757 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x05 s LYS 758 N -0.59 4.48 -0.41 1.61 2.20 -1.25 -4.75 119.74 121.03 2x05 s LYS 758 Ca 0.00 1.15 -0.26 0.00 -0.36 0.00 0.00 55.97 56.50 2x05 s LYS 758 Cb 0.00 -2.92 0.02 0.00 -1.51 0.00 0.00 37.83 33.42 2x05 s LYS 758 CO 0.00 0.38 0.97 -2.00 -0.36 0.00 0.00 175.35 174.34 2x05 s GLU 759 N -1.85 3.75 -0.04 4.03 2.12 -1.26 -0.93 118.70 124.52 2x05 s GLU 759 Ca 0.45 0.50 0.18 0.00 0.36 0.00 0.00 54.97 56.45 2x05 s GLU 759 Cb -0.19 -3.85 -0.27 0.00 0.26 0.00 0.00 34.13 30.08 2x05 s GLU 759 CO 0.24 -1.10 0.36 1.33 -0.54 0.00 0.00 175.26 175.55 2x05 n VAL 760 N 6.24 0.14 -3.71 3.70 0.24 -0.34 -4.96 118.33 119.64 2x05 n VAL 760 Ca 0.08 -0.45 -0.12 0.00 -2.04 0.00 0.00 64.34 61.81 2x05 n VAL 760 Cb 0.48 0.01 -0.12 0.00 -1.47 0.00 0.00 33.84 32.74 2x05 n VAL 760 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2x05 s SER 761 N -4.21 -0.24 -0.12 -1.34 0.15 -1.11 -4.82 113.70 102.01 2x05 s SER 761 Ca -0.07 0.64 0.02 0.00 0.70 0.00 0.00 55.95 57.24 2x05 s SER 761 Cb 0.11 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 65.00 2x05 s SER 761 CO 0.75 -0.18 -0.16 -0.60 1.20 0.00 0.00 173.24 174.24 2x05 s ARG 762 N 1.50 2.37 -0.09 5.44 3.52 -1.26 -0.28 118.95 130.15 2x05 s ARG 762 Ca -0.08 -0.61 -0.03 0.00 -0.13 0.00 0.00 55.73 54.88 2x05 s ARG 762 Cb -0.10 -2.02 0.04 0.00 -1.56 0.00 0.00 34.95 31.31 2x05 s ARG 762 CO -0.10 -0.08 0.06 1.21 -0.81 0.00 0.00 175.30 175.58 2x05 s ASN 763 N 1.03 1.61 -0.10 -2.12 3.84 0.20 -5.03 114.94 114.37 2x05 s ASN 763 Ca -0.05 -0.18 0.02 0.00 0.21 0.00 0.00 52.86 52.86 2x05 s ASN 763 Cb -0.15 -0.23 -0.01 0.00 -0.55 0.00 0.00 41.25 40.31 2x05 s ASN 763 CO -0.03 -0.27 -0.17 -0.69 -2.79 0.00 0.00 177.10 173.15 2x05 s VAL 764 N 2.12 2.73 -0.14 -5.21 1.01 -1.26 -0.49 120.40 119.16 2x05 s VAL 764 Ca 0.04 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2x05 s VAL 764 Cb -0.13 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 2x05 s VAL 764 CO -0.05 0.55 -0.15 -0.31 0.00 0.00 0.00 175.10 175.13 2x05 s TYR 765 N 0.14 2.76 -0.33 5.22 2.02 0.61 -4.95 117.35 122.82 2x05 s TYR 765 Ca -0.09 -0.89 -0.22 0.00 -0.37 0.00 0.00 57.07 55.50 2x05 s TYR 765 Cb -0.15 -1.85 -0.00 0.00 -0.40 0.00 0.00 41.96 39.56 2x05 s TYR 765 CO 0.05 -0.37 0.71 1.67 -1.57 0.00 0.00 175.55 176.05 2x05 s TRP 766 N 0.59 3.18 0.37 2.71 -2.14 -1.26 0.47 118.94 122.85 2x05 s TRP 766 Ca -0.09 0.61 0.06 0.00 2.66 0.00 0.00 56.10 59.34 2x05 s TRP 766 Cb -0.16 -3.18 -0.07 0.00 -3.10 0.00 0.00 33.47 26.96 2x05 s TRP 766 CO 0.03 -0.58 0.02 -0.51 -2.66 0.00 0.00 176.95 173.25 2x05 s LEU 767 N 2.84 2.59 -0.01 -4.66 1.43 0.12 -4.96 118.68 116.03 2x05 s LEU 767 Ca 0.29 -1.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.06 2x05 s LEU 767 Cb -0.14 -0.70 -0.01 0.00 0.03 0.00 0.00 46.19 45.37 2x05 s LEU 767 CO 0.14 -0.49 -0.09 -0.55 0.23 0.00 0.00 176.35 175.59 2x05 s SER 768 N -3.61 1.04 0.37 2.29 0.15 -1.26 -0.49 113.70 112.20 2x05 s SER 768 Ca 0.35 -0.16 0.26 0.00 0.70 0.00 0.00 55.95 57.11 2x05 s SER 768 Cb 0.09 -0.14 1.33 0.00 -1.71 0.00 0.00 66.02 65.59 2x05 s SER 768 CO 0.17 0.10 1.81 0.71 1.20 0.00 0.00 173.24 177.22 2x05 h THR 769 N 4.99 0.00 -3.73 6.45 1.35 -1.31 -3.40 112.91 117.26 2x05 h THR 769 Ca -0.31 -0.10 -0.65 0.00 -0.55 0.00 0.00 66.41 64.81 2x05 h THR 769 Cb 1.18 0.76 -0.21 0.00 -1.73 0.00 0.00 68.15 68.15 2x05 h THR 769 CO 0.50 0.00 -0.58 -0.75 -0.25 0.00 0.00 175.52 174.43 2x05 s LYS 770 N -3.59 3.71 0.18 4.72 2.20 -1.26 -5.08 119.74 120.62 2x05 s LYS 770 Ca -0.01 -0.45 -0.26 0.00 -0.36 0.00 0.00 55.97 54.89 2x05 s LYS 770 Cb 0.08 -3.47 -0.08 0.00 -1.51 0.00 0.00 37.83 32.86 2x05 s LYS 770 CO 0.30 -0.21 0.81 0.00 -0.36 0.00 0.00 175.35 175.89 2x05 s ALA 771 N 1.66 3.43 0.19 3.13 0.00 -1.26 -3.68 121.76 125.23 2x05 s ALA 771 Ca 0.06 0.41 -0.32 0.00 0.00 0.00 0.00 51.96 52.11 2x05 s ALA 771 Cb -0.16 -3.00 -0.11 0.00 0.00 0.00 0.00 23.12 19.85 2x05 s ALA 771 CO 0.06 0.28 1.63 -0.51 0.00 0.00 0.00 175.76 177.22 2x05 s ASP 772 N -1.16 6.49 0.15 0.00 1.01 -1.26 -4.08 116.67 117.83 2x05 s ASP 772 Ca 0.37 2.73 0.06 0.00 0.71 0.00 0.00 52.55 56.42 2x05 s ASP 772 Cb -0.24 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.05 2x05 s ASP 772 CO 0.27 -0.89 -0.13 0.42 0.21 0.00 0.00 175.17 175.06 2x05 s THR 773 N 1.10 1.39 -0.16 -1.27 -4.23 -1.00 -4.93 115.64 106.54 2x05 s THR 773 Ca 0.72 -1.96 -0.05 0.00 -1.18 0.00 0.00 61.69 59.21 2x05 s THR 773 Cb -0.46 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 71.57 2x05 s THR 773 CO 0.32 -0.57 0.02 -0.76 -0.54 0.00 0.00 174.62 173.10 2x05 s LEU 774 N -2.92 3.63 -1.22 4.79 1.43 -1.26 -1.51 118.68 121.62 2x05 s LEU 774 Ca 0.15 0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.12 2x05 s LEU 774 Cb -0.01 -1.89 0.11 0.00 0.03 0.00 0.00 46.19 44.42 2x05 s LEU 774 CO 0.03 0.21 1.58 0.21 0.23 0.00 0.00 176.35 178.61 2x05 s ASN 775 N 0.13 6.88 0.12 2.29 2.47 -0.01 -4.48 114.94 122.35 2x05 s ASN 775 Ca 0.03 -2.52 -0.20 0.00 0.42 0.00 0.00 52.86 50.58 2x05 s ASN 775 Cb -0.13 -2.51 -0.05 0.00 -1.45 0.00 0.00 41.25 37.11 2x05 s ASN 775 CO 0.01 -1.05 1.72 -0.50 -3.72 0.00 0.00 177.10 173.57 2x05 h TRP 776 N 7.70 -0.01 -0.28 0.43 4.06 -1.96 -2.02 115.95 123.87 2x05 h TRP 776 Ca 0.37 0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.41 2x05 h TRP 776 Cb 0.89 0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 29.07 2x05 h TRP 776 CO 1.29 -0.03 0.27 0.78 -3.56 0.00 0.00 178.44 177.20 2x05 h GLY 777 N 0.05 0.00 -0.08 1.49 0.00 -1.96 0.26 103.07 102.83 2x05 h GLY 777 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2x05 h GLY 777 CO -0.14 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.01 2x05 n GLY 778 N -1.46 -0.43 3.74 4.60 0.00 -0.76 -4.93 105.19 105.95 2x05 n GLY 778 Ca 0.04 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 2x05 n GLY 778 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x05 n SER 779 N -0.28 3.80 -4.42 1.61 7.64 0.90 -4.64 113.62 118.23 2x05 n SER 779 Ca 0.14 1.14 -0.16 0.00 1.01 0.00 0.00 58.87 61.00 2x05 n SER 779 Cb 0.17 -1.58 0.06 0.00 -1.01 0.00 0.00 64.21 61.85 2x05 n SER 779 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2x05 n ASP 780 N 2.26 1.70 0.27 6.43 -0.08 -0.85 -5.02 116.55 121.26 2x05 n ASP 780 Ca 0.09 -2.25 0.15 0.00 -1.51 0.00 0.00 54.79 51.27 2x05 n ASP 780 Cb 0.36 -0.37 0.68 0.00 2.34 0.00 0.00 41.12 44.13 2x05 n ASP 780 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 2x05 h TRP 781 N 0.03 0.00 -0.00 -0.67 5.08 -1.95 -3.30 115.95 115.13 2x05 h TRP 781 Ca -0.23 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.74 2x05 h TRP 781 Cb 1.04 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.20 2x05 h TRP 781 CO 0.00 0.08 -0.21 2.48 -1.28 0.00 0.00 178.44 179.51 2x05 n TYR 782 N -3.27 0.00 -3.74 0.12 0.18 -1.26 -4.22 117.16 104.98 2x05 n TYR 782 Ca -0.00 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.73 2x05 n TYR 782 Cb 0.31 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.25 2x05 n TYR 782 CO 0.00 0.00 0.00 1.52 -2.08 0.00 0.00 176.86 176.30 2x05 s TYR 783 N -1.31 -0.18 -0.12 -3.48 -0.85 -1.24 0.15 117.35 110.32 2x05 s TYR 783 Ca 0.05 -0.13 0.02 0.00 -0.52 0.00 0.00 57.07 56.48 2x05 s TYR 783 Cb 0.06 0.64 0.02 0.00 0.38 0.00 0.00 41.96 43.05 2x05 s TYR 783 CO 0.22 -0.88 -0.16 0.99 -1.52 0.00 0.00 175.55 174.20 2x05 s THR 784 N -3.41 1.59 0.89 -3.49 2.01 -1.26 -2.01 115.64 109.95 2x05 s THR 784 Ca 0.11 -0.69 -0.12 0.00 0.31 0.00 0.00 61.69 61.30 2x05 s THR 784 Cb -0.02 -1.45 0.12 0.00 0.01 0.00 0.00 72.50 71.16 2x05 s THR 784 CO 0.01 0.46 1.10 -2.16 -0.69 0.00 0.00 174.62 173.34 2x05 s PRO 785 N 1.05 1.32 -0.15 4.92 0.04 -1.26 -4.71 135.00 136.21 2x05 s PRO 785 Ca -0.05 0.63 -0.07 0.00 0.04 0.00 0.00 61.00 61.56 2x05 s PRO 785 Cb -0.15 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2x05 s PRO 785 CO -0.03 -2.15 0.09 -0.65 0.04 0.00 0.00 177.00 174.30 2x05 s GLN 786 N -5.06 3.65 0.21 4.56 -0.21 -1.26 -0.83 119.66 120.73 2x05 s GLN 786 Ca 0.63 -0.26 0.25 0.00 0.02 0.00 0.00 55.36 56.00 2x05 s GLN 786 Cb -0.17 -3.16 0.67 0.00 1.00 0.00 0.00 33.01 31.35 2x05 s GLN 786 CO 0.56 0.53 1.66 0.66 -2.12 0.00 0.00 175.29 176.58 2x05 h SER 787 N 5.83 0.00 -5.06 5.90 4.64 -1.49 -3.41 113.55 119.95 2x05 h SER 787 Ca -0.46 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 60.80 2x05 h SER 787 Cb 1.19 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.17 2x05 h SER 787 CO 0.64 0.02 0.06 0.00 -0.87 0.00 0.00 176.83 176.69 2x05 s ALA 788 N -3.13 -1.09 -0.08 5.18 0.00 -1.16 -4.92 121.76 116.57 2x05 s ALA 788 Ca 0.09 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.04 2x05 s ALA 788 Cb 0.12 0.84 0.00 0.00 0.00 0.00 0.00 23.12 24.08 2x05 s ALA 788 CO 0.63 -0.79 -0.19 -0.06 0.00 0.00 0.00 175.76 175.35 2x05 s PHE 789 N -3.84 2.09 0.56 0.00 0.40 -1.26 -2.39 117.98 113.55 2x05 s PHE 789 Ca 0.07 -0.78 -0.21 0.00 -0.60 0.00 0.00 56.93 55.41 2x05 s PHE 789 Cb -0.01 -1.42 -0.05 0.00 0.51 0.00 0.00 43.02 42.05 2x05 s PHE 789 CO -0.06 -0.32 1.27 0.00 0.70 0.00 0.00 175.22 176.82 2x05 n ALA 790 N 3.50 1.24 -3.31 5.36 0.00 -1.26 -4.68 120.51 121.37 2x05 n ALA 790 Ca -0.20 0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 2x05 n ALA 790 Cb 0.52 -2.30 -0.08 0.00 0.00 0.00 0.00 19.45 17.59 2x05 n ALA 790 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2x05 s ASP 791 N -1.02 5.87 -0.23 0.00 -1.08 -1.24 -4.32 116.67 114.65 2x05 s ASP 791 Ca 0.73 -1.68 0.13 0.00 -0.52 0.00 0.00 52.55 51.21 2x05 s ASP 791 Cb -0.42 -2.08 0.48 0.00 -1.46 0.00 0.00 42.92 39.45 2x05 s ASP 791 CO 0.48 -0.68 1.40 0.18 0.52 0.00 0.00 175.17 177.07 2x05 n LEU 792 N 5.04 3.75 0.00 -1.34 4.77 0.13 -4.00 117.00 125.34 2x05 n LEU 792 Ca -0.11 -3.46 0.12 0.00 -0.03 0.00 0.00 56.01 52.54 2x05 n LEU 792 Cb 0.42 -0.58 0.62 0.00 -2.33 0.00 0.00 43.42 41.55 2x05 n LEU 792 CO 0.45 1.01 0.91 -1.54 -1.33 0.00 0.00 177.39 176.90 2x05 n SER 793 N -0.97 0.00 0.08 -1.43 3.41 -1.21 -3.24 113.62 110.26 2x05 n SER 793 Ca 0.26 0.01 0.01 0.00 -0.26 0.00 0.00 58.87 58.90 2x05 n SER 793 Cb 0.92 -0.32 0.36 0.00 -0.26 0.00 0.00 64.21 64.91 2x05 n SER 793 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2x05 h GLY 794 N 4.17 0.36 0.60 5.00 0.00 -1.90 -2.53 103.07 108.77 2x05 h GLY 794 Ca 0.00 -0.22 0.18 0.00 0.00 0.00 0.00 47.33 47.30 2x05 h GLY 794 CO 0.00 0.20 0.52 1.41 0.00 0.00 0.00 176.54 178.68 2x05 h LEU 795 N 0.32 0.00 -1.78 3.11 3.38 -1.91 0.20 115.31 118.64 2x05 h LEU 795 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2x05 h LEU 795 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2x05 h LEU 795 CO 0.02 0.00 0.14 0.78 0.09 0.00 0.00 178.44 179.47 2x05 h ASN 796 N 0.00 0.25 -0.37 -0.43 4.21 -1.71 -3.04 115.58 114.50 2x05 h ASN 796 Ca 0.30 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.80 2x05 h ASN 796 Cb 1.35 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.49 2x05 h ASN 796 CO -0.00 0.19 0.00 0.59 -1.29 0.00 0.00 177.43 176.91 2x05 n ASN 797 N -4.50 3.03 -4.62 5.81 3.02 0.67 -4.97 115.26 113.70 2x05 n ASN 797 Ca 0.00 -2.05 -0.48 0.00 -0.03 0.00 0.00 54.58 52.02 2x05 n ASN 797 Cb 0.08 -0.26 -0.05 0.00 -0.61 0.00 0.00 39.78 38.94 2x05 n ASN 797 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2x05 n LEU 798 N 0.53 3.15 -4.69 3.41 7.94 -0.96 -4.93 117.00 121.45 2x05 n LEU 798 Ca 0.13 0.74 -0.35 0.00 -1.11 0.00 0.00 56.01 55.42 2x05 n LEU 798 Cb 0.46 -1.37 0.10 0.00 0.53 0.00 0.00 43.42 43.13 2x05 n LEU 798 CO 0.09 -0.29 0.79 0.61 -1.11 0.00 0.00 177.39 177.48 2x05 n GLY 799 N 5.05 0.16 3.77 -3.96 0.00 -1.26 -4.94 105.19 104.01 2x05 n GLY 799 Ca 0.28 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 2x05 n GLY 799 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2x05 s GLN 800 N -3.68 3.85 0.00 1.61 -1.52 -1.26 -4.94 119.66 113.73 2x05 s GLN 800 Ca 0.77 2.08 0.00 0.00 -1.95 0.00 0.00 55.36 56.26 2x05 s GLN 800 Cb -0.34 -2.64 0.00 0.00 -0.22 0.00 0.00 33.01 29.81 2x05 s GLN 800 CO 0.46 -0.56 0.00 0.45 -0.25 0.00 0.00 175.29 175.39 2x05 n SER 801 N -0.09 1.68 -3.63 5.90 2.88 -0.41 -4.93 113.62 115.02 2x05 n SER 801 Ca 0.05 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.46 2x05 n SER 801 Cb 0.45 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.85 2x05 n SER 801 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2x05 s ALA 802 N -2.00 -1.08 -0.02 -1.46 0.00 -1.26 -4.60 121.76 111.35 2x05 s ALA 802 Ca 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 51.96 52.22 2x05 s ALA 802 Cb 0.00 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.56 2x05 s ALA 802 CO 0.00 -0.51 0.09 0.54 0.00 0.00 0.00 175.76 175.87 2x05 s VAL 803 N -2.78 0.04 0.00 0.00 0.11 -1.26 -1.98 120.40 114.52 2x05 s VAL 803 Ca -0.03 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 58.69 2x05 s VAL 803 Cb -0.00 -0.23 0.00 0.00 -1.53 0.00 0.00 36.38 34.61 2x05 s VAL 803 CO -0.05 -0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.16 2x05 n GLY 804 N 2.40 0.91 2.86 6.54 0.00 -1.25 -4.92 105.19 111.72 2x05 n GLY 804 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 2x05 n GLY 804 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x05 s ALA 805 N -0.95 0.44 -0.04 4.61 0.00 -1.26 0.10 121.76 124.66 2x05 s ALA 805 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.05 2x05 s ALA 805 Cb 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.80 2x05 s ALA 805 CO 0.00 -0.03 -0.10 0.99 0.00 0.00 0.00 175.76 176.62 2x05 s THR 806 N 0.87 0.94 0.06 0.00 2.01 -0.29 -4.99 115.64 114.23 2x05 s THR 806 Ca -0.10 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.52 2x05 s THR 806 Cb -0.13 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 2x05 s THR 806 CO -0.01 0.30 -0.09 0.00 -0.69 0.00 0.00 174.62 174.13 2x05 s ALA 807 N 0.41 0.76 0.05 7.40 0.00 -1.26 0.63 121.76 129.75 2x05 s ALA 807 Ca -0.08 -0.88 -0.26 0.00 0.00 0.00 0.00 51.96 50.74 2x05 s ALA 807 Cb -0.12 0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.09 2x05 s ALA 807 CO 0.02 0.00 0.62 1.21 0.00 0.00 0.00 175.76 177.61 2x05 s ASN 808 N -1.77 -0.59 0.06 0.00 3.04 -0.38 -3.90 114.94 111.40 2x05 s ASN 808 Ca -0.06 0.34 0.04 0.00 0.04 0.00 0.00 52.86 53.22 2x05 s ASN 808 Cb -0.08 0.56 -0.03 0.00 -1.54 0.00 0.00 41.25 40.16 2x05 s ASN 808 CO 0.00 -0.77 -0.13 -0.44 -3.04 0.00 0.00 177.10 172.72 2x05 s SER 809 N -1.95 1.48 -0.19 -4.21 0.01 -1.04 0.07 113.70 107.86 2x05 s SER 809 Ca -0.05 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.67 2x05 s SER 809 Cb -0.01 -0.05 0.04 0.00 0.21 0.00 0.00 66.02 66.22 2x05 s SER 809 CO -0.01 -0.07 -0.11 -0.69 0.41 0.00 0.00 173.24 172.77 2x05 s VAL 810 N -1.16 1.65 -0.23 3.43 1.01 0.04 -4.92 120.40 120.23 2x05 s VAL 810 Ca -0.03 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 2x05 s VAL 810 Cb -0.09 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 2x05 s VAL 810 CO 0.02 0.22 1.31 0.00 0.00 0.00 0.00 175.10 176.64 2x05 s ALA 811 N 1.40 3.51 0.59 5.51 0.00 -1.26 -1.62 121.76 129.88 2x05 s ALA 811 Ca -0.00 0.31 -0.09 0.00 0.00 0.00 0.00 51.96 52.18 2x05 s ALA 811 Cb -0.16 -3.71 -0.02 0.00 0.00 0.00 0.00 23.12 19.23 2x05 s ALA 811 CO -0.09 -1.49 0.95 0.20 0.00 0.00 0.00 175.76 175.34 2x05 s GLY 812 N 2.50 1.60 0.49 0.00 0.00 0.25 -4.98 107.32 107.18 2x05 s GLY 812 Ca 0.57 -0.32 0.28 0.00 0.00 0.00 0.00 44.72 45.24 2x05 s GLY 812 CO 0.19 -0.06 1.77 0.00 0.00 0.00 0.00 173.10 175.00 2x05 h ALA 813 N -0.20 1.00 0.00 3.20 0.00 -1.95 -3.02 119.26 118.28 2x05 h ALA 813 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2x05 h ALA 813 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2x05 h ALA 813 CO 0.62 0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 2x05 n ASP 814 N -3.10 0.00 0.00 0.00 5.75 -1.26 -4.89 116.55 113.05 2x05 n ASP 814 Ca 0.02 -0.78 0.00 0.00 -0.01 0.00 0.00 54.79 54.03 2x05 n ASP 814 Cb 0.43 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 2x05 n ASP 814 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2x05 n GLY 815 N 0.90 0.72 3.85 6.12 0.00 -1.14 -5.07 105.19 110.57 2x05 n GLY 815 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2x05 n GLY 815 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x05 s THR 816 N -2.50 4.90 -0.02 2.61 -4.23 -1.26 -1.44 115.64 113.69 2x05 s THR 816 Ca 0.00 -0.69 0.01 0.00 -1.18 0.00 0.00 61.69 59.83 2x05 s THR 816 Cb 0.00 -3.41 -0.03 0.00 1.34 0.00 0.00 72.50 70.39 2x05 s THR 816 CO 0.00 0.06 -0.02 -0.89 -0.54 0.00 0.00 174.62 173.24 2x05 s THR 817 N -1.53 4.05 -0.18 3.99 2.01 0.11 0.84 115.64 124.93 2x05 s THR 817 Ca 0.32 -0.55 -0.02 0.00 0.31 0.00 0.00 61.69 61.75 2x05 s THR 817 Cb -0.12 -2.76 -0.01 0.00 0.01 0.00 0.00 72.50 69.62 2x05 s THR 817 CO 0.25 0.45 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.64 2x05 s THR 818 N -1.00 3.15 -0.20 -0.82 2.01 -0.64 -1.77 115.64 116.37 2x05 s THR 818 Ca 0.17 -0.59 -0.06 0.00 0.31 0.00 0.00 61.69 61.52 2x05 s THR 818 Cb -0.11 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 69.99 2x05 s THR 818 CO 0.07 0.48 0.03 -0.89 -0.69 0.00 0.00 174.62 173.62 2x05 s THR 819 N 0.94 4.25 -0.22 -0.82 2.01 0.15 -0.78 115.64 121.17 2x05 s THR 819 Ca -0.02 -0.21 -0.05 0.00 0.31 0.00 0.00 61.69 61.72 2x05 s THR 819 Cb -0.15 -2.93 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 2x05 s THR 819 CO -0.00 0.42 -0.00 -0.89 -0.69 0.00 0.00 174.62 173.45 2x05 s THR 820 N 0.92 3.79 -0.10 -0.82 2.01 0.11 0.00 115.64 121.56 2x05 s THR 820 Ca 0.02 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.69 2x05 s THR 820 Cb -0.14 -2.73 0.01 0.00 0.01 0.00 0.00 72.50 69.65 2x05 s THR 820 CO 0.02 0.41 -0.16 0.68 -0.69 0.00 0.00 174.62 174.89 2x05 s VAL 821 N 1.27 1.48 -0.19 3.82 -7.23 0.10 -1.24 120.40 118.41 2x05 s VAL 821 Ca 0.04 -0.65 -0.11 0.00 -1.81 0.00 0.00 61.98 59.45 2x05 s VAL 821 Cb -0.15 -1.34 -0.05 0.00 0.56 0.00 0.00 36.38 35.40 2x05 s VAL 821 CO 0.00 0.44 0.16 -0.89 -0.31 0.00 0.00 175.10 174.50 2x05 s THR 822 N 0.83 5.39 -0.02 5.32 2.01 0.20 -0.06 115.64 129.32 2x05 s THR 822 Ca -0.10 0.25 0.07 0.00 0.31 0.00 0.00 61.69 62.22 2x05 s THR 822 Cb -0.15 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 2x05 s THR 822 CO 0.01 0.43 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.38 2x05 s LEU 823 N 0.37 2.23 -0.01 4.42 1.43 0.10 -1.14 118.68 126.08 2x05 s LEU 823 Ca 0.10 -0.42 -0.00 0.00 -1.03 0.00 0.00 54.13 52.78 2x05 s LEU 823 Cb -0.11 -1.39 0.01 0.00 0.03 0.00 0.00 46.19 44.73 2x05 s LEU 823 CO -0.01 0.32 0.03 -0.75 0.23 0.00 0.00 176.35 176.17 2x05 s LYS 824 N -0.71 -0.00 -0.25 1.70 2.20 0.11 0.03 119.74 122.82 2x05 s LYS 824 Ca 0.11 0.11 -0.29 0.00 -0.36 0.00 0.00 55.97 55.53 2x05 s LYS 824 Cb -0.10 -0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.10 2x05 s LYS 824 CO -0.00 -0.08 1.41 1.21 -0.36 0.00 0.00 175.35 177.53 2x05 s ASN 825 N 0.49 6.60 -0.24 1.43 3.84 -0.84 -3.86 114.94 122.36 2x05 s ASN 825 Ca -0.04 1.43 0.13 0.00 0.21 0.00 0.00 52.86 54.59 2x05 s ASN 825 Cb -0.06 -2.54 0.64 0.00 -0.55 0.00 0.00 41.25 38.74 2x05 s ASN 825 CO -0.01 -1.10 1.59 0.35 -2.79 0.00 0.00 177.10 175.14 2x05 n THR 826 N 6.16 2.59 -2.98 -5.21 -2.24 -0.84 -4.14 114.28 107.63 2x05 n THR 826 Ca 0.16 -1.85 -0.31 0.00 -2.27 0.00 0.00 64.05 59.77 2x05 n THR 826 Cb 0.46 -0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.34 2x05 n THR 826 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2x05 s SER 827 N -1.58 6.65 0.00 3.42 1.04 -1.26 -4.87 113.70 117.10 2x05 s SER 827 Ca 0.48 1.23 0.25 0.00 0.48 0.00 0.00 55.95 58.39 2x05 s SER 827 Cb 0.39 -2.36 0.80 0.00 0.10 0.00 0.00 66.02 64.95 2x05 s SER 827 CO 0.10 -0.31 1.60 0.61 0.98 0.00 0.00 173.24 176.22 2x05 n GLY 828 N -0.85 0.35 0.00 7.32 0.00 -1.26 -4.87 105.19 105.88 2x05 n GLY 828 Ca 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2x05 n GLY 828 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x05 n GLY 829 N 1.21 3.22 1.24 -0.02 0.00 -1.26 -5.03 105.19 104.55 2x05 n GLY 829 Ca 0.17 -2.05 0.11 0.00 0.00 0.00 0.00 46.02 44.26 2x05 n GLY 829 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x05 n ARG 830 N -0.11 2.57 -2.88 1.61 3.00 -1.26 -4.81 116.66 114.79 2x05 n ARG 830 Ca 0.00 -2.43 -0.41 0.00 -0.01 0.00 0.00 57.85 55.00 2x05 n ARG 830 Cb 0.00 -1.53 -0.04 0.00 0.00 0.00 0.00 32.46 30.89 2x05 n ARG 830 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2x05 s LEU 831 N -1.14 4.24 0.33 0.55 1.43 -1.26 -4.59 118.68 118.24 2x05 s LEU 831 Ca 0.45 1.28 -0.29 0.00 -1.03 0.00 0.00 54.13 54.54 2x05 s LEU 831 Cb 0.24 -3.28 -0.11 0.00 0.03 0.00 0.00 46.19 43.07 2x05 s LEU 831 CO 0.32 -0.32 1.50 -2.16 0.23 0.00 0.00 176.35 175.92 2x05 s PRO 832 N 1.66 4.16 -0.46 1.29 0.04 -1.26 -4.49 135.00 135.93 2x05 s PRO 832 Ca 0.41 2.50 -0.29 0.00 0.04 0.00 0.00 61.00 63.67 2x05 s PRO 832 Cb -0.18 -3.01 0.02 0.00 0.04 0.00 0.00 34.50 31.37 2x05 s PRO 832 CO 0.16 -0.51 1.29 0.00 0.04 0.00 0.00 177.00 177.98 2x05 s ALA 833 N -0.62 3.06 -0.14 8.56 0.00 -0.35 -4.69 121.76 127.59 2x05 s ALA 833 Ca 0.57 -0.38 -0.07 0.00 0.00 0.00 0.00 51.96 52.08 2x05 s ALA 833 Cb -0.46 -3.94 -0.04 0.00 0.00 0.00 0.00 23.12 18.68 2x05 s ALA 833 CO 0.55 -2.41 0.12 0.12 0.00 0.00 0.00 175.76 174.13 2x05 s PHE 834 N 5.06 3.48 -0.85 0.00 5.36 -1.26 -1.39 117.98 128.39 2x05 s PHE 834 Ca 0.54 0.41 -0.04 0.00 -0.96 0.00 0.00 56.93 56.88 2x05 s PHE 834 Cb -0.10 -1.99 0.00 0.00 -0.34 0.00 0.00 43.02 40.59 2x05 s PHE 834 CO 0.31 0.56 0.66 0.98 -1.46 0.00 0.00 175.22 176.27 2x05 n TYR 835 N 2.49 -2.32 -3.45 10.12 9.36 -1.08 -1.00 117.16 131.29 2x05 n TYR 835 Ca -0.19 0.87 -0.40 0.00 3.32 0.00 0.00 57.90 61.50 2x05 n TYR 835 Cb 0.54 -3.30 -0.10 0.00 -0.63 0.00 0.00 39.34 35.85 2x05 n TYR 835 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2x05 s VAL 836 N -3.07 5.21 -0.23 2.97 1.01 0.95 -2.43 120.40 124.81 2x05 s VAL 836 Ca 0.07 0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.09 2x05 s VAL 836 Cb -0.03 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2x05 s VAL 836 CO 0.85 0.01 0.07 -0.62 0.00 0.00 0.00 175.10 175.41 2x05 s ASP 837 N 1.72 5.31 -0.14 3.32 -1.08 0.25 -1.27 116.67 124.78 2x05 s ASP 837 Ca 0.11 -0.10 -0.03 0.00 -0.52 0.00 0.00 52.55 52.00 2x05 s ASP 837 Cb -0.16 -1.94 -0.03 0.00 -1.46 0.00 0.00 42.92 39.33 2x05 s ASP 837 CO 0.11 0.04 -0.04 -0.44 0.52 0.00 0.00 175.17 175.36 2x05 s SER 838 N 1.18 4.81 -0.07 -0.34 0.01 -1.26 -0.60 113.70 117.42 2x05 s SER 838 Ca 0.05 -0.09 -0.00 0.00 1.31 0.00 0.00 55.95 57.21 2x05 s SER 838 Cb -0.14 -1.67 0.02 0.00 0.21 0.00 0.00 66.02 64.44 2x05 s SER 838 CO 0.03 0.21 -0.03 -0.54 0.41 0.00 0.00 173.24 173.33 2x05 s LYS 839 N 0.10 0.88 -0.15 12.44 -0.14 0.81 -4.95 119.74 128.72 2x05 s LYS 839 Ca -0.01 -0.04 -0.29 0.00 -1.36 0.00 0.00 55.97 54.27 2x05 s LYS 839 Cb -0.14 -1.05 -0.03 0.00 -1.68 0.00 0.00 37.83 34.93 2x05 s LYS 839 CO 0.03 -0.21 1.56 0.08 -0.76 0.00 0.00 175.35 176.04 2x05 s VAL 840 N 1.54 3.77 0.29 3.17 1.01 -1.26 0.02 120.40 128.95 2x05 s VAL 840 Ca -0.01 0.91 0.09 0.00 0.00 0.00 0.00 61.98 62.97 2x05 s VAL 840 Cb -0.13 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 2x05 s VAL 840 CO -0.04 -0.18 -0.11 0.68 0.00 0.00 0.00 175.10 175.45 2x05 s VAL 841 N 4.43 1.99 0.29 2.92 -7.23 -0.27 0.11 120.40 122.65 2x05 s VAL 841 Ca 0.69 -2.21 -0.00 0.00 -1.81 0.00 0.00 61.98 58.64 2x05 s VAL 841 Cb -0.27 -2.43 0.06 0.00 0.56 0.00 0.00 36.38 34.30 2x05 s VAL 841 CO 0.26 -0.33 0.40 -0.90 -0.31 0.00 0.00 175.10 174.23 2x05 n ASP 842 N -0.63 0.50 0.31 4.85 5.68 -0.19 -1.33 116.55 125.75 2x05 n ASP 842 Ca -0.06 -1.43 0.18 0.00 -0.50 0.00 0.00 54.79 52.98 2x05 n ASP 842 Cb 0.62 -0.26 1.00 0.00 -1.14 0.00 0.00 41.12 41.34 2x05 n ASP 842 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2x05 h SER 843 N -0.26 0.00 -0.07 -1.12 4.64 -1.91 0.06 113.55 114.89 2x05 h SER 843 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2x05 h SER 843 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2x05 h SER 843 CO 0.14 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.12 2x05 n ALA 844 N -2.20 2.51 -0.89 5.18 0.00 -1.26 -4.95 120.51 118.90 2x05 n ALA 844 Ca -0.03 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2x05 n ALA 844 Cb 0.12 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2x05 n ALA 844 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x05 n GLY 845 N 1.26 0.52 3.71 0.00 0.00 0.01 -5.05 105.19 105.64 2x05 n GLY 845 Ca 0.17 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2x05 n GLY 845 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x05 s LYS 846 N -0.64 4.50 0.38 1.61 2.36 -1.26 -4.75 119.74 121.95 2x05 s LYS 846 Ca 0.00 1.50 -0.27 0.00 -2.55 0.00 0.00 55.97 54.65 2x05 s LYS 846 Cb 0.00 -3.46 -0.11 0.00 -1.05 0.00 0.00 37.83 33.21 2x05 s LYS 846 CO 0.00 -0.15 1.33 -2.30 1.55 0.00 0.00 175.35 175.79 2x05 n PRO 847 N 4.13 2.20 -3.21 4.03 -0.02 -1.26 -1.02 135.00 139.85 2x05 n PRO 847 Ca 0.07 0.77 -0.41 0.00 -2.02 0.00 0.00 63.50 61.91 2x05 n PRO 847 Cb 0.50 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 2x05 n PRO 847 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2x05 s VAL 848 N -1.14 4.99 0.04 -1.45 1.01 0.12 -4.81 120.40 119.17 2x05 s VAL 848 Ca 0.57 0.46 0.03 0.00 0.00 0.00 0.00 61.98 63.04 2x05 s VAL 848 Cb -0.52 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 31.85 2x05 s VAL 848 CO 0.61 -0.21 -0.09 -0.76 0.00 0.00 0.00 175.10 174.65 2x05 s LEU 849 N 2.47 2.24 0.92 3.92 1.43 -1.26 -4.37 118.68 124.02 2x05 s LEU 849 Ca 0.20 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.66 2x05 s LEU 849 Cb -0.15 -0.25 0.14 0.00 0.03 0.00 0.00 46.19 45.96 2x05 s LEU 849 CO 0.13 -0.15 1.11 -2.16 0.23 0.00 0.00 176.35 175.51 2x05 s PRO 850 N -1.47 1.05 -0.16 1.29 0.04 -1.26 -4.95 135.00 129.54 2x05 s PRO 850 Ca -0.07 0.49 -0.20 0.00 0.04 0.00 0.00 61.00 61.26 2x05 s PRO 850 Cb -0.09 -1.81 0.05 0.00 0.04 0.00 0.00 34.50 32.69 2x05 s PRO 850 CO 0.01 -2.30 0.54 0.54 0.04 0.00 0.00 177.00 175.83 2x05 s VAL 851 N -3.10 0.01 -0.16 -0.36 0.11 -1.26 -4.57 120.40 111.07 2x05 s VAL 851 Ca 0.64 -0.06 -0.00 0.00 -2.93 0.00 0.00 61.98 59.62 2x05 s VAL 851 Cb -0.16 -0.78 0.04 0.00 -1.53 0.00 0.00 36.38 33.94 2x05 s VAL 851 CO 0.55 -0.03 -0.07 -1.61 -3.33 0.00 0.00 175.10 170.61 2x05 s GLU 852 N -0.14 1.56 0.05 1.54 2.02 -0.39 -4.96 118.70 118.37 2x05 s GLU 852 Ca -0.03 -0.49 -0.03 0.00 0.02 0.00 0.00 54.97 54.44 2x05 s GLU 852 Cb -0.03 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 32.20 2x05 s GLU 852 CO 0.03 -0.38 0.25 -1.58 0.02 0.00 0.00 175.26 173.59 2x05 s TRP 853 N 1.62 3.53 0.21 1.61 0.52 -1.26 -0.18 118.94 125.00 2x05 s TRP 853 Ca 0.02 0.41 -0.03 0.00 0.02 0.00 0.00 56.10 56.52 2x05 s TRP 853 Cb -0.15 -1.88 0.19 0.00 -1.15 0.00 0.00 33.47 30.49 2x05 s TRP 853 CO -0.08 0.58 1.60 -2.95 0.02 0.00 0.00 176.95 176.12 2x05 h ASN 854 N 3.43 0.71 -5.09 2.95 -1.07 -1.76 -3.47 115.58 111.27 2x05 h ASN 854 Ca -0.47 -0.29 -0.04 0.00 0.07 0.00 0.00 56.30 55.57 2x05 h ASN 854 Cb 1.18 -0.20 -0.12 0.00 -2.07 0.00 0.00 38.32 37.11 2x05 h ASN 854 CO 0.71 0.98 -0.04 -0.62 0.07 0.00 0.00 177.43 178.53 2x05 s ASP 855 N -6.81 -0.23 0.24 6.14 2.15 -1.26 -5.06 116.67 111.84 2x05 s ASP 855 Ca -0.08 -0.42 -0.21 0.00 0.43 0.00 0.00 52.55 52.26 2x05 s ASP 855 Cb 0.13 0.52 0.07 0.00 -0.30 0.00 0.00 42.92 43.33 2x05 s ASP 855 CO 0.83 -0.95 0.94 0.21 -0.17 0.00 0.00 175.17 176.03 2x05 s ASN 856 N -2.85 -0.04 -1.15 -0.34 3.84 -1.26 -4.78 114.94 108.36 2x05 s ASN 856 Ca 0.07 -0.76 -0.12 0.00 0.21 0.00 0.00 52.86 52.26 2x05 s ASN 856 Cb 0.01 0.61 -0.03 0.00 -0.55 0.00 0.00 41.25 41.29 2x05 s ASN 856 CO -0.07 -1.19 0.82 0.00 -2.79 0.00 0.00 177.10 173.86 2x05 n ALA 857 N -0.60 -2.41 -2.59 1.71 0.00 -1.00 -4.96 120.51 110.66 2x05 n ALA 857 Ca -0.05 -0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.03 2x05 n ALA 857 Cb 0.60 -4.19 -0.01 0.00 0.00 0.00 0.00 19.45 15.84 2x05 n ALA 857 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2x05 s VAL 858 N -3.48 5.07 -0.09 0.00 -7.23 -0.40 -4.50 120.40 109.76 2x05 s VAL 858 Ca 0.37 -0.28 0.01 0.00 -1.81 0.00 0.00 61.98 60.27 2x05 s VAL 858 Cb -0.10 -3.83 0.02 0.00 0.56 0.00 0.00 36.38 33.03 2x05 s VAL 858 CO 0.81 -0.54 -0.10 -0.44 -0.31 0.00 0.00 175.10 174.52 2x05 s SER 859 N -3.86 2.02 -0.12 4.85 0.01 -1.26 -0.04 113.70 115.31 2x05 s SER 859 Ca 0.42 -0.31 0.03 0.00 1.31 0.00 0.00 55.95 57.40 2x05 s SER 859 Cb -0.10 -0.85 0.01 0.00 0.21 0.00 0.00 66.02 65.29 2x05 s SER 859 CO 0.36 -0.05 -0.22 -0.76 0.41 0.00 0.00 173.24 172.98 2x05 s LEU 860 N 1.25 2.07 0.74 2.44 1.43 -0.48 -4.98 118.68 121.14 2x05 s LEU 860 Ca -0.03 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 52.41 2x05 s LEU 860 Cb -0.14 -1.39 0.06 0.00 0.03 0.00 0.00 46.19 44.75 2x05 s LEU 860 CO -0.03 0.11 1.08 0.26 0.23 0.00 0.00 176.35 177.99 2x05 s TRP 861 N 0.63 2.96 0.27 0.29 0.51 -1.26 -1.21 118.94 121.13 2x05 s TRP 861 Ca -0.12 0.60 -0.30 0.00 -2.12 0.00 0.00 56.10 54.16 2x05 s TRP 861 Cb -0.16 -3.28 -0.11 0.00 -0.81 0.00 0.00 33.47 29.10 2x05 s TRP 861 CO 0.03 -1.51 1.56 -2.14 -0.51 0.00 0.00 176.95 174.37 2x05 s PRO 862 N -5.37 4.17 0.00 4.98 0.02 -1.26 -1.38 135.00 136.16 2x05 s PRO 862 Ca 0.60 2.49 0.00 0.00 0.02 0.00 0.00 61.00 64.12 2x05 s PRO 862 Cb -0.11 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.35 2x05 s PRO 862 CO 0.47 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.97 2x05 n GLY 863 N 2.40 0.88 3.81 0.52 0.00 -1.26 -5.06 105.19 106.49 2x05 n GLY 863 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2x05 n GLY 863 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x05 s GLU 864 N -0.60 3.00 0.05 1.61 2.02 -0.48 -5.01 118.70 119.30 2x05 s GLU 864 Ca 0.00 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.32 2x05 s GLU 864 Cb 0.00 -2.77 -0.03 0.00 0.10 0.00 0.00 34.13 31.43 2x05 s GLU 864 CO 0.00 0.55 -0.05 0.99 0.02 0.00 0.00 175.26 176.77 2x05 s THR 865 N -1.50 0.38 -0.01 3.63 2.01 -1.26 -2.00 115.64 116.90 2x05 s THR 865 Ca 0.31 -1.28 -0.12 0.00 0.31 0.00 0.00 61.69 60.91 2x05 s THR 865 Cb -0.12 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.60 2x05 s THR 865 CO 0.24 -0.59 0.25 0.28 -0.69 0.00 0.00 174.62 174.11 2x05 s THR 866 N -2.15 0.07 -0.18 -0.82 -1.32 0.10 -4.99 115.64 106.35 2x05 s THR 866 Ca -0.06 -0.55 0.01 0.00 -1.21 0.00 0.00 61.69 59.88 2x05 s THR 866 Cb -0.05 -0.57 0.02 0.00 -1.51 0.00 0.00 72.50 70.40 2x05 s THR 866 CO -0.02 -0.30 -0.18 -0.89 -2.21 0.00 0.00 174.62 171.01 2x05 s THR 867 N -1.39 1.95 0.05 5.08 2.01 -1.26 0.03 115.64 122.11 2x05 s THR 867 Ca -0.14 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 60.99 2x05 s THR 867 Cb -0.06 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 2x05 s THR 867 CO 0.03 0.49 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.65 2x05 s LEU 868 N 1.33 3.32 -0.07 4.42 1.43 0.92 -4.96 118.68 125.06 2x05 s LEU 868 Ca 0.04 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 2x05 s LEU 868 Cb -0.13 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.11 2x05 s LEU 868 CO -0.12 0.23 -0.10 -0.89 0.23 0.00 0.00 176.35 175.70 2x05 s THR 869 N -1.15 1.01 -0.10 5.49 2.01 -1.26 0.03 115.64 121.67 2x05 s THR 869 Ca 0.21 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.86 2x05 s THR 869 Cb -0.11 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.42 2x05 s THR 869 CO 0.13 0.34 -0.17 0.00 -0.69 0.00 0.00 174.62 174.22 2x05 s ALA 870 N 0.93 2.48 -0.11 7.40 0.00 0.10 -1.80 121.76 130.76 2x05 s ALA 870 Ca -0.10 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 50.92 2x05 s ALA 870 Cb -0.15 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 2x05 s ALA 870 CO 0.01 0.35 -0.13 0.21 0.00 0.00 0.00 175.76 176.19 2x05 s LYS 871 N 0.04 3.16 0.22 0.00 2.20 0.75 -0.68 119.74 125.44 2x05 s LYS 871 Ca -0.07 -0.68 -0.19 0.00 -0.36 0.00 0.00 55.97 54.68 2x05 s LYS 871 Cb -0.15 -2.58 0.03 0.00 -1.51 0.00 0.00 37.83 33.62 2x05 s LYS 871 CO 0.05 0.33 0.59 1.52 -0.36 0.00 0.00 175.35 177.48 2x05 s TYR 872 N 0.05 -0.17 0.02 4.03 -0.85 -0.73 -1.26 117.35 118.44 2x05 s TYR 872 Ca -0.05 -0.19 -0.30 0.00 -0.52 0.00 0.00 57.07 56.01 2x05 s TYR 872 Cb -0.14 0.50 -0.05 0.00 0.38 0.00 0.00 41.96 42.64 2x05 s TYR 872 CO 0.04 -1.01 1.31 1.03 -1.52 0.00 0.00 175.55 175.41 2x05 s ARG 873 N -3.88 4.33 0.25 -3.49 0.52 -1.26 0.05 118.95 115.47 2x05 s ARG 873 Ca 0.09 1.87 -0.04 0.00 -0.52 0.00 0.00 55.73 57.14 2x05 s ARG 873 Cb -0.02 -3.48 0.49 0.00 0.52 0.00 0.00 34.95 32.46 2x05 s ARG 873 CO -0.01 -0.46 1.70 1.15 0.02 0.00 0.00 175.30 177.70 2x05 h THR 874 N 4.77 0.55 -0.29 0.02 2.02 -1.52 -1.96 112.91 116.50 2x05 h THR 874 Ca -0.38 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 66.71 2x05 h THR 874 Cb 1.19 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2x05 h THR 874 CO 0.87 0.06 0.19 0.00 0.37 0.00 0.00 175.52 177.02 2x05 h ALA 875 N 1.61 1.95 0.00 6.16 0.00 -1.91 -0.93 119.26 126.14 2x05 h ALA 875 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2x05 h ALA 875 Cb 0.73 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2x05 h ALA 875 CO -0.48 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 178.52 2x05 n ASP 876 N -4.49 0.00 0.15 0.00 8.00 -0.73 -0.06 116.55 119.41 2x05 n ASP 876 Ca 0.02 -0.47 0.08 0.00 0.71 0.00 0.00 54.79 55.14 2x05 n ASP 876 Cb 0.17 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.33 2x05 n ASP 876 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2x05 h LEU 877 N 0.00 0.00 -1.21 0.64 4.07 -1.28 -3.43 115.31 114.09 2x05 h LEU 877 Ca 0.00 0.00 -0.44 0.00 0.08 0.00 0.00 57.88 57.52 2x05 h LEU 877 Cb 0.00 0.00 0.03 0.00 1.08 0.00 0.00 40.66 41.77 2x05 h LEU 877 CO 0.00 0.19 -0.77 0.29 -1.08 0.00 0.00 178.44 177.07 2x05 n LYS 878 N -3.00 -5.84 0.00 1.13 5.02 0.91 -1.45 118.16 114.93 2x05 n LYS 878 Ca 0.01 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 2x05 n LYS 878 Cb 0.62 -5.49 0.00 0.00 -0.02 0.00 0.00 35.03 30.14 2x05 n LYS 878 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x05 n GLY 879 N -1.69 2.30 3.75 0.72 0.00 -1.26 -5.05 105.19 103.97 2x05 n GLY 879 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 2x05 n GLY 879 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2x05 s SER 880 N -1.80 7.50 0.45 1.61 0.15 -0.53 -5.03 113.70 116.05 2x05 s SER 880 Ca 0.00 2.06 -0.25 0.00 0.70 0.00 0.00 55.95 58.47 2x05 s SER 880 Cb 0.00 -2.62 -0.09 0.00 -1.71 0.00 0.00 66.02 61.61 2x05 s SER 880 CO 0.00 0.04 1.30 0.29 1.20 0.00 0.00 173.24 176.07 2x05 n LYS 881 N 1.44 1.94 -2.95 5.44 5.02 -1.26 -4.85 118.16 122.94 2x05 n LYS 881 Ca -0.01 0.69 -0.36 0.00 -2.02 0.00 0.00 58.31 56.61 2x05 n LYS 881 Cb 0.46 -2.44 -0.06 0.00 -0.02 0.00 0.00 35.03 32.97 2x05 n LYS 881 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2x05 s PRO 882 N -2.34 4.35 0.33 1.97 0.04 -1.26 -3.98 135.00 134.11 2x05 s PRO 882 Ca 0.62 1.05 0.04 0.00 0.04 0.00 0.00 61.00 62.75 2x05 s PRO 882 Cb -0.48 -2.72 -0.06 0.00 0.04 0.00 0.00 34.50 31.28 2x05 s PRO 882 CO 0.57 0.27 0.07 -1.12 0.04 0.00 0.00 177.00 176.83 2x05 s SER 883 N -1.77 2.35 -0.11 6.66 0.01 -0.44 -2.00 113.70 118.40 2x05 s SER 883 Ca 0.49 -1.40 0.02 0.00 1.31 0.00 0.00 55.95 56.37 2x05 s SER 883 Cb -0.16 -0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.07 2x05 s SER 883 CO 0.21 -0.64 -0.19 -0.69 0.41 0.00 0.00 173.24 172.34 2x05 s VAL 884 N -3.31 1.74 -0.22 3.43 1.01 0.14 -1.12 120.40 122.06 2x05 s VAL 884 Ca 0.35 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 2x05 s VAL 884 Cb 0.08 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2x05 s VAL 884 CO 0.15 0.49 0.31 -0.60 0.00 0.00 0.00 175.10 175.45 2x05 s ARG 885 N 0.80 4.11 -0.25 2.72 3.52 0.10 -0.79 118.95 129.18 2x05 s ARG 885 Ca -0.09 0.02 0.03 0.00 -0.13 0.00 0.00 55.73 55.55 2x05 s ARG 885 Cb -0.16 -3.56 0.05 0.00 -1.56 0.00 0.00 34.95 29.73 2x05 s ARG 885 CO 0.00 -0.04 -0.12 0.42 -0.81 0.00 0.00 175.30 174.76 2x05 s ILE 886 N 1.34 2.10 -0.11 4.11 1.01 0.38 -0.13 121.20 129.90 2x05 s ILE 886 Ca 0.15 -1.51 0.03 0.00 0.00 0.00 0.00 60.65 59.32 2x05 s ILE 886 Cb -0.14 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.14 2x05 s ILE 886 CO 0.07 0.04 -0.23 -0.44 0.00 0.00 0.00 174.94 174.38 2x05 s SER 887 N 1.15 3.15 0.16 3.58 0.01 0.23 -1.54 113.70 120.44 2x05 s SER 887 Ca -0.07 -0.55 0.11 0.00 1.31 0.00 0.00 55.95 56.75 2x05 s SER 887 Cb -0.19 -1.43 -0.04 0.00 0.21 0.00 0.00 66.02 64.57 2x05 s SER 887 CO -0.06 0.15 -0.25 -0.83 0.41 0.00 0.00 173.24 172.66 2x05 s GLY 888 N 0.42 1.65 0.25 3.44 0.00 -0.23 0.84 107.32 113.69 2x05 s GLY 888 Ca -0.16 -1.54 -0.04 0.00 0.00 0.00 0.00 44.72 42.98 2x05 s GLY 888 CO 0.07 -1.54 1.72 -0.25 0.00 0.00 0.00 173.10 173.10 2x05 h TRP 889 N 3.56 0.48 0.00 1.90 2.91 -0.72 -2.93 115.95 121.15 2x05 h TRP 889 Ca -0.49 0.04 -0.00 0.00 1.13 0.00 0.00 58.89 59.57 2x05 h TRP 889 Cb 1.19 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 29.74 2x05 h TRP 889 CO 0.64 0.03 -0.18 0.27 -1.03 0.00 0.00 178.44 178.17 2x05 n ASN 890 N -5.03 2.11 -0.02 2.65 6.94 -1.26 -4.65 115.26 116.00 2x05 n ASN 890 Ca 0.15 -3.37 0.00 0.00 -0.02 0.00 0.00 54.58 51.34 2x05 n ASN 890 Cb 0.43 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.39 2x05 n ASN 890 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2x05 n THR 891 N -1.32 0.40 -4.81 5.53 -2.24 -1.11 -1.28 114.28 109.45 2x05 n THR 891 Ca 0.17 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2x05 n THR 891 Cb 0.66 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 2x05 n THR 891 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x05 n GLY 892 N -0.21 0.71 2.86 3.38 0.00 -1.18 -4.60 105.19 106.14 2x05 n GLY 892 Ca 0.00 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 2x05 n GLY 892 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x05 s THR 893 N 0.00 0.41 0.13 2.61 2.01 -1.26 -1.07 115.64 118.47 2x05 s THR 893 Ca 0.00 -0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.02 2x05 s THR 893 Cb 0.00 -0.47 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 2x05 s THR 893 CO 0.00 0.20 -0.13 0.00 -0.69 0.00 0.00 174.62 174.01 2x05 s GLN 894 N 1.06 1.03 -0.04 4.92 -2.07 -0.59 -5.01 119.66 118.96 2x05 s GLN 894 Ca -0.09 -1.30 0.05 0.00 -1.82 0.00 0.00 55.36 52.20 2x05 s GLN 894 Cb -0.14 -0.82 -0.01 0.00 -1.09 0.00 0.00 33.01 30.96 2x05 s GLN 894 CO -0.01 0.14 -0.19 -0.08 -1.32 0.00 0.00 175.29 173.83 2x05 s THR 895 N -2.48 1.57 0.04 3.63 -1.32 -1.26 -0.47 115.64 115.34 2x05 s THR 895 Ca 0.11 -0.81 0.09 0.00 -1.21 0.00 0.00 61.69 59.87 2x05 s THR 895 Cb -0.03 -1.33 -0.03 0.00 -1.51 0.00 0.00 72.50 69.60 2x05 s THR 895 CO 0.02 0.45 -0.26 0.68 -2.21 0.00 0.00 174.62 173.30 2x05 s VAL 896 N -0.16 2.11 0.63 5.08 -7.23 0.03 -4.94 120.40 115.93 2x05 s VAL 896 Ca 0.00 -1.35 -0.17 0.00 -1.81 0.00 0.00 61.98 58.65 2x05 s VAL 896 Cb -0.11 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 35.03 2x05 s VAL 896 CO 0.01 0.38 1.18 -2.16 -0.31 0.00 0.00 175.10 174.20 2x05 s PRO 897 N -1.17 2.78 -0.47 4.82 0.04 -1.26 0.28 135.00 140.01 2x05 s PRO 897 Ca 0.11 1.69 0.07 0.00 0.04 0.00 0.00 61.00 62.91 2x05 s PRO 897 Cb -0.10 -1.92 0.38 0.00 0.04 0.00 0.00 34.50 32.90 2x05 s PRO 897 CO 0.02 -1.32 0.98 0.00 0.04 0.00 0.00 177.00 176.71 2x05 n ALA 898 N -2.00 4.32 0.00 8.56 0.00 -0.85 -4.26 120.51 126.29 2x05 n ALA 898 Ca 0.13 -4.22 0.00 0.00 0.00 0.00 0.00 53.44 49.35 2x05 n ALA 898 Cb 0.50 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.24 2x05 n ALA 898 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10