#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dki s ASP 38 N 0.00 4.20 0.76 -1.43 1.11 -0.99 -4.93 116.67 115.39 1dki s ASP 38 Ca 0.00 -1.94 -0.16 0.00 0.18 0.00 0.00 52.55 50.63 1dki s ASP 38 Cb 0.00 -1.12 -0.02 0.00 1.07 0.00 0.00 42.92 42.86 1dki s ASP 38 CO 0.00 -0.38 0.60 2.29 1.18 0.00 0.00 175.17 178.86 1dki n LYS 39 N 4.48 0.25 -4.54 8.23 2.85 -1.26 -2.07 118.16 126.09 1dki n LYS 39 Ca 0.01 0.13 -0.34 0.00 -1.05 0.00 0.00 58.31 57.06 1dki n LYS 39 Cb 0.41 -1.91 -0.11 0.00 -0.65 0.00 0.00 35.03 32.77 1dki n LYS 39 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1dki s VAL 40 N -1.97 3.80 -1.03 0.58 1.01 -0.48 -4.83 120.40 117.48 1dki s VAL 40 Ca 0.66 -0.51 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 1dki s VAL 40 Cb -0.33 -2.59 0.19 0.00 0.00 0.00 0.00 36.38 33.66 1dki s VAL 40 CO 0.58 0.55 1.14 0.54 0.00 0.00 0.00 175.10 177.90 1dki s ASN 41 N -0.98 6.93 0.23 3.32 6.03 -1.26 -4.69 114.94 124.52 1dki s ASN 41 Ca 0.14 -2.78 -0.07 0.00 -1.03 0.00 0.00 52.86 49.12 1dki s ASN 41 Cb -0.11 -2.32 0.40 0.00 -3.03 0.00 0.00 41.25 36.19 1dki s ASN 41 CO 0.03 -0.70 1.70 -0.07 -2.03 0.00 0.00 177.10 176.02 1dki h LEU 42 N 8.86 0.03 0.00 3.54 3.38 -1.97 -3.47 115.31 125.68 1dki h LEU 42 Ca 0.20 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1dki h LEU 42 Cb 0.95 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1dki h LEU 42 CO 1.05 -0.01 0.00 0.61 0.09 0.00 0.00 178.44 180.18 1dki n GLY 43 N -1.34 0.38 7.00 0.83 0.00 -1.26 -4.76 105.19 106.04 1dki n GLY 43 Ca 0.12 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1dki n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dki n GLY 44 N 0.00 3.41 0.65 -0.02 0.00 -1.26 -0.62 105.19 107.34 1dki n GLY 44 Ca 0.00 0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1dki n GLY 44 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1dki n GLU 45 N 11.27 1.71 -0.42 1.61 -0.00 -1.26 -3.95 120.64 129.59 1dki n GLU 45 Ca 0.00 -1.30 0.06 0.00 -0.00 0.00 0.00 57.16 55.93 1dki n GLU 45 Cb 0.00 -1.47 0.21 0.00 -0.00 0.00 0.00 31.44 30.18 1dki n GLU 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1dki n LEU 46 N 0.49 3.44 -0.93 -1.84 4.77 0.20 -4.70 117.00 118.43 1dki n LEU 46 Ca 0.14 -3.24 0.01 0.00 -0.03 0.00 0.00 56.01 52.89 1dki n LEU 46 Cb 0.48 -0.53 0.11 0.00 -2.33 0.00 0.00 43.42 41.15 1dki n LEU 46 CO 0.20 0.84 0.45 -1.54 -1.33 0.00 0.00 177.39 176.01 1dki n SER 47 N -0.93 2.41 -0.71 -1.43 3.41 -0.84 -4.12 113.62 111.41 1dki n SER 47 Ca 0.22 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.55 1dki n SER 47 Cb 0.84 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1dki n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dki n GLY 48 N 0.16 1.43 0.11 5.00 0.00 -1.26 -4.89 105.19 105.74 1dki n GLY 48 Ca 0.09 -1.89 0.05 0.00 0.00 0.00 0.00 46.02 44.27 1dki n GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1dki n SER 49 N 0.00 1.71 -0.01 1.61 7.64 -1.26 -4.67 113.62 118.65 1dki n SER 49 Ca 0.00 -2.46 0.13 0.00 1.01 0.00 0.00 58.87 57.56 1dki n SER 49 Cb 0.00 -0.24 0.51 0.00 -1.01 0.00 0.00 64.21 63.47 1dki n SER 49 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1dki n ASN 50 N -0.85 0.18 -3.60 6.43 3.02 -1.26 -4.36 115.26 114.83 1dki n ASN 50 Ca 0.08 0.18 -0.15 0.00 -0.03 0.00 0.00 54.58 54.66 1dki n ASN 50 Cb 0.53 -0.24 -0.07 0.00 -0.61 0.00 0.00 39.78 39.40 1dki n ASN 50 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1dki s MET 51 N -2.95 0.88 -0.00 3.52 1.75 -1.26 -1.77 119.30 119.47 1dki s MET 51 Ca 0.15 0.73 0.03 0.00 -1.25 0.00 0.00 55.69 55.35 1dki s MET 51 Cb 0.19 0.42 -0.01 0.00 2.84 0.00 0.00 34.83 38.27 1dki s MET 51 CO 0.57 -0.17 -0.09 0.71 -0.65 0.00 0.00 175.02 175.39 1dki s TYR 52 N -0.14 0.83 -0.06 4.11 1.51 0.39 -4.89 117.35 119.11 1dki s TYR 52 Ca -0.03 -0.18 0.04 0.00 -1.01 0.00 0.00 57.07 55.89 1dki s TYR 52 Cb -0.03 -0.53 -0.00 0.00 -0.11 0.00 0.00 41.96 41.28 1dki s TYR 52 CO 0.03 -0.01 -0.19 0.08 -1.11 0.00 0.00 175.55 174.35 1dki s VAL 53 N -0.31 1.60 -0.07 0.71 1.01 -1.26 -1.31 120.40 120.76 1dki s VAL 53 Ca 0.03 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1dki s VAL 53 Cb -0.04 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.97 1dki s VAL 53 CO -0.00 0.46 -0.11 -0.31 0.00 0.00 0.00 175.10 175.13 1dki s TYR 54 N 0.18 1.41 0.38 5.22 1.51 -0.58 -1.38 117.35 124.09 1dki s TYR 54 Ca -0.09 -0.54 -0.17 0.00 -1.01 0.00 0.00 57.07 55.26 1dki s TYR 54 Cb -0.14 -1.06 -0.10 0.00 -0.11 0.00 0.00 41.96 40.56 1dki s TYR 54 CO 0.04 -0.30 0.84 -0.80 -1.11 0.00 0.00 175.55 174.23 1dki s ASN 55 N 0.79 6.82 0.00 2.29 0.01 -0.88 -0.89 114.94 123.08 1dki s ASN 55 Ca -0.12 1.46 0.00 0.00 -0.71 0.00 0.00 52.86 53.49 1dki s ASN 55 Cb -0.15 -2.45 0.00 0.00 0.41 0.00 0.00 41.25 39.06 1dki s ASN 55 CO 0.02 -0.30 0.00 0.61 -1.51 0.00 0.00 177.10 175.92 1dki n GLY 60 N -0.61 0.00 3.68 0.66 0.00 -0.94 -2.33 105.19 105.65 1dki n GLY 60 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 1dki n GLY 60 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1dki s PHE 61 N 0.00 -0.24 -0.01 1.61 -0.12 0.48 -4.61 117.98 115.08 1dki s PHE 61 Ca 0.00 -0.13 -0.03 0.00 -0.05 0.00 0.00 56.93 56.72 1dki s PHE 61 Cb 0.00 0.59 -0.00 0.00 -0.63 0.00 0.00 43.02 42.98 1dki s PHE 61 CO 0.00 -1.07 0.07 0.08 -0.05 0.00 0.00 175.22 174.25 1dki s VAL 62 N -3.87 0.05 -0.17 -2.49 1.01 -0.07 -1.33 120.40 113.53 1dki s VAL 62 Ca 0.09 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1dki s VAL 62 Cb -0.04 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.14 1dki s VAL 62 CO 0.00 -0.22 -0.14 -0.63 0.00 0.00 0.00 175.10 174.11 1dki s ILE 63 N -0.69 1.67 -0.02 2.22 1.01 0.12 -1.53 121.20 123.98 1dki s ILE 63 Ca -0.08 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 59.84 1dki s ILE 63 Cb -0.05 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 1dki s ILE 63 CO 0.00 0.38 -0.20 0.68 0.00 0.00 0.00 174.94 175.80 1dki s VAL 64 N 1.43 1.60 0.67 2.92 -7.23 -0.43 0.57 120.40 119.94 1dki s VAL 64 Ca 0.03 -0.86 -0.09 0.00 -1.81 0.00 0.00 61.98 59.25 1dki s VAL 64 Cb -0.14 -1.33 0.02 0.00 0.56 0.00 0.00 36.38 35.49 1dki s VAL 64 CO -0.10 0.45 1.03 -0.94 -0.31 0.00 0.00 175.10 175.23 1dki s SER 65 N -0.45 5.35 -0.43 4.85 1.04 -0.62 -0.46 113.70 122.98 1dki s SER 65 Ca 0.07 0.88 0.05 0.00 0.48 0.00 0.00 55.95 57.43 1dki s SER 65 Cb -0.08 -1.71 0.43 0.00 0.10 0.00 0.00 66.02 64.76 1dki s SER 65 CO -0.01 -1.32 1.29 0.61 0.98 0.00 0.00 173.24 174.80 1dki n GLY 66 N -2.87 6.11 3.15 7.32 0.00 -0.73 -4.80 105.19 113.37 1dki n GLY 66 Ca 0.06 -2.67 0.05 0.00 0.00 0.00 0.00 46.02 43.46 1dki n GLY 66 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dki s ASP 67 N -3.23 -0.64 0.00 1.61 -1.08 -1.26 -4.81 116.67 107.26 1dki s ASP 67 Ca 0.51 0.36 0.00 0.00 -0.52 0.00 0.00 52.55 52.90 1dki s ASP 67 Cb 0.42 1.52 0.00 0.00 -1.46 0.00 0.00 42.92 43.40 1dki s ASP 67 CO -0.11 -0.12 0.31 0.29 0.52 0.00 0.00 175.17 176.06 1dki n LYS 68 N 5.44 0.00 -0.15 4.34 4.76 -1.26 -1.76 118.16 129.53 1dki n LYS 68 Ca -0.04 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.44 1dki n LYS 68 Cb 0.54 -1.32 0.13 0.00 -1.84 0.00 0.00 35.03 32.53 1dki n LYS 68 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1dki n ARG 69 N -0.81 1.67 -3.90 1.97 1.74 -1.26 -4.80 116.66 111.27 1dki n ARG 69 Ca 0.00 -1.02 -0.09 0.00 -0.77 0.00 0.00 57.85 55.97 1dki n ARG 69 Cb 0.00 -1.23 -0.08 0.00 -1.02 0.00 0.00 32.46 30.13 1dki n ARG 69 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1dki s SER 70 N -0.99 0.16 0.69 0.55 1.04 -0.72 -4.78 113.70 109.65 1dki s SER 70 Ca 0.19 -0.60 -0.17 0.00 0.48 0.00 0.00 55.95 55.85 1dki s SER 70 Cb 0.10 0.28 -0.09 0.00 0.10 0.00 0.00 66.02 66.41 1dki s SER 70 CO 0.13 -0.62 0.10 -2.65 0.98 0.00 0.00 173.24 171.17 1dki n PRO 71 N 0.33 0.16 -0.04 4.02 -0.02 -1.26 -4.87 135.00 133.31 1dki n PRO 71 Ca -0.17 0.07 -0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1dki n PRO 71 Cb 0.60 -1.42 -0.00 0.00 -0.02 0.00 0.00 33.50 32.66 1dki n PRO 71 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1dki h GLU 72 N -0.34 0.00 -5.32 -0.52 -0.00 -1.93 -3.39 114.58 103.09 1dki h GLU 72 Ca -0.44 0.00 -0.64 0.00 -0.00 0.00 0.00 59.36 58.28 1dki h GLU 72 Cb 1.37 0.00 -0.14 0.00 -0.00 0.00 0.00 28.75 29.98 1dki h GLU 72 CO 0.39 0.00 0.01 0.42 -0.00 0.00 0.00 179.01 179.83 1dki s ILE 73 N -1.49 4.98 -0.16 -1.06 -1.09 -1.26 -1.58 121.20 119.54 1dki s ILE 73 Ca -0.01 0.44 -0.15 0.00 -2.23 0.00 0.00 60.65 58.71 1dki s ILE 73 Cb 0.00 -3.99 -0.23 0.00 -1.58 0.00 0.00 42.46 36.67 1dki s ILE 73 CO 0.01 -0.23 0.30 -0.07 -1.23 0.00 0.00 174.94 173.72 1dki h LEU 74 N 9.16 0.21 -7.67 2.97 3.38 -0.17 -3.48 115.31 119.70 1dki h LEU 74 Ca -0.27 -0.72 -0.06 0.00 0.09 0.00 0.00 57.88 56.91 1dki h LEU 74 Cb 1.12 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.68 1dki h LEU 74 CO 0.79 1.67 -0.18 -0.83 0.09 0.00 0.00 178.44 179.98 1dki s GLY 75 N -5.19 -0.01 0.16 0.83 0.00 -1.19 -1.83 107.32 100.09 1dki s GLY 75 Ca -0.26 -0.37 -0.25 0.00 0.00 0.00 0.00 44.72 43.84 1dki s GLY 75 CO 0.68 -0.52 0.97 -2.52 0.00 0.00 0.00 173.10 171.71 1dki s TYR 76 N -3.86 -0.10 -0.15 1.90 -0.85 0.21 0.14 117.35 114.65 1dki s TYR 76 Ca 0.07 -0.23 -0.30 0.00 -0.52 0.00 0.00 57.07 56.09 1dki s TYR 76 Cb 0.02 0.65 0.13 0.00 0.38 0.00 0.00 41.96 43.14 1dki s TYR 76 CO -0.08 -0.85 0.99 0.45 -1.52 0.00 0.00 175.55 174.54 1dki s SER 77 N -3.00 -0.36 0.00 -0.18 0.15 -0.44 -0.68 113.70 109.18 1dki s SER 77 Ca 0.14 0.36 0.25 0.00 0.70 0.00 0.00 55.95 57.40 1dki s SER 77 Cb -0.01 0.31 0.44 0.00 -1.71 0.00 0.00 66.02 65.04 1dki s SER 77 CO 0.03 -0.36 1.40 0.35 1.20 0.00 0.00 173.24 175.85 1dki n THR 78 N 0.63 0.00 -4.01 6.45 -2.24 -1.26 -0.39 114.28 113.46 1dki n THR 78 Ca -0.10 -0.41 -0.08 0.00 -2.27 0.00 0.00 64.05 61.19 1dki n THR 78 Cb 0.58 1.18 -0.09 0.00 -2.10 0.00 0.00 70.33 69.90 1dki n THR 78 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1dki s SER 79 N -2.03 0.34 0.62 3.42 1.04 -1.26 -3.20 113.70 112.63 1dki s SER 79 Ca 0.30 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1dki s SER 79 Cb 0.20 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1dki s SER 79 CO 0.33 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1dki n GLY 80 N 0.35 -0.50 3.21 7.32 0.00 -1.26 -4.13 105.19 110.17 1dki n GLY 80 Ca -0.16 -1.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.58 1dki n GLY 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dki n SER 81 N -1.71 -0.14 -4.30 1.61 3.41 -1.26 -2.22 113.62 109.01 1dki n SER 81 Ca 0.00 -3.16 -0.30 0.00 -0.26 0.00 0.00 58.87 55.16 1dki n SER 81 Cb 0.00 1.47 -0.15 0.00 -0.26 0.00 0.00 64.21 65.27 1dki n SER 81 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1dki s PHE 82 N -3.26 2.20 0.03 7.33 5.36 -1.26 -0.92 117.98 127.46 1dki s PHE 82 Ca 0.34 -0.41 -0.27 0.00 -0.96 0.00 0.00 56.93 55.63 1dki s PHE 82 Cb 0.02 -1.38 0.09 0.00 -0.34 0.00 0.00 43.02 41.41 1dki s PHE 82 CO 0.24 0.03 0.76 0.34 -1.46 0.00 0.00 175.22 175.12 1dki s ASP 83 N -0.84 -0.49 0.00 6.13 -1.08 -1.26 -4.92 116.67 114.20 1dki s ASP 83 Ca 0.10 0.16 0.00 0.00 -0.52 0.00 0.00 52.55 52.29 1dki s ASP 83 Cb -0.10 0.48 0.00 0.00 -1.46 0.00 0.00 42.92 41.85 1dki s ASP 83 CO 0.00 -0.72 0.34 1.33 0.52 0.00 0.00 175.17 176.64 1dki n VAL 84 N 0.00 0.00 -2.00 1.11 0.24 -1.26 -4.76 118.33 111.66 1dki n VAL 84 Ca -0.14 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.74 1dki n VAL 84 Cb 0.62 1.22 -0.03 0.00 -1.47 0.00 0.00 33.84 34.18 1dki n VAL 84 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1dki s ASN 85 N 0.00 6.66 0.00 -1.34 0.01 -1.26 -2.04 114.94 116.97 1dki s ASN 85 Ca 0.00 2.37 0.00 0.00 -0.71 0.00 0.00 52.86 54.52 1dki s ASN 85 Cb 0.00 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.10 1dki s ASN 85 CO 0.00 -0.86 0.00 0.61 -1.51 0.00 0.00 177.10 175.34 1dki n GLY 86 N 3.96 0.46 2.91 0.66 0.00 -1.26 -4.92 105.19 107.00 1dki n GLY 86 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1dki n GLY 86 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dki n LYS 87 N -1.74 2.28 -0.17 1.61 5.02 -0.86 -4.95 118.16 119.35 1dki n LYS 87 Ca 0.00 -4.52 0.24 0.00 -2.02 0.00 0.00 58.31 52.01 1dki n LYS 87 Cb 0.08 -2.33 0.64 0.00 -0.02 0.00 0.00 35.03 33.40 1dki n LYS 87 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1dki h GLU 88 N 5.40 0.15 0.00 1.97 5.08 -1.92 -1.63 114.58 123.64 1dki h GLU 88 Ca 0.16 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 1dki h GLU 88 Cb 0.75 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1dki h GLU 88 CO 0.80 0.10 -0.58 -2.95 -1.00 0.00 0.00 179.01 175.38 1dki h ASN 89 N 0.15 0.00 0.08 1.42 -1.07 -1.92 -0.86 115.58 113.38 1dki h ASN 89 Ca 0.41 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.62 1dki h ASN 89 Cb 1.39 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 37.66 1dki h ASN 89 CO -0.07 0.58 -0.70 0.40 0.07 0.00 0.00 177.43 177.71 1dki h ILE 90 N 0.00 1.49 -0.68 6.14 2.04 -1.68 -3.15 117.51 121.66 1dki h ILE 90 Ca -0.01 -2.34 -0.01 0.00 1.00 0.00 0.00 64.86 63.50 1dki h ILE 90 Cb 1.05 2.96 -0.03 0.00 -0.74 0.00 0.00 36.82 40.05 1dki h ILE 90 CO 0.07 0.67 0.37 0.00 0.00 0.00 0.00 178.15 179.26 1dki h ALA 91 N 0.18 1.37 -0.54 1.87 0.00 -1.39 -1.52 119.26 119.23 1dki h ALA 91 Ca -0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1dki h ALA 91 Cb 1.48 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1dki h ALA 91 CO 0.13 0.52 0.21 1.03 0.00 0.00 0.00 179.25 181.14 1dki h SER 92 N 0.95 0.75 -0.42 0.00 0.87 -1.24 0.77 113.55 115.23 1dki h SER 92 Ca 0.24 -0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 1dki h SER 92 Cb 0.03 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 1dki h SER 92 CO -0.04 0.72 0.10 0.15 -0.53 0.00 0.00 176.83 177.22 1dki h PHE 93 N 0.73 0.71 -0.73 2.24 3.57 -1.41 -2.53 116.94 119.53 1dki h PHE 93 Ca 0.18 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1dki h PHE 93 Cb 0.21 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1dki h PHE 93 CO 0.01 0.67 0.33 0.52 -2.23 0.00 0.00 178.31 177.62 1dki h MET 94 N 0.54 1.07 0.00 1.11 2.86 -1.01 -1.94 114.93 117.55 1dki h MET 94 Ca 0.13 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1dki h MET 94 Cb 0.33 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1dki h MET 94 CO 0.00 0.85 -0.03 0.93 1.06 0.00 0.00 176.91 179.72 1dki h GLU 95 N 1.04 0.00 0.05 1.72 5.08 -0.60 -1.00 114.58 120.86 1dki h GLU 95 Ca 0.25 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.37 1dki h GLU 95 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1dki h GLU 95 CO -0.03 0.03 -1.04 0.77 -1.00 0.00 0.00 179.01 177.74 1dki h SER 96 N 0.00 0.40 -0.15 1.42 0.02 -0.93 -2.52 113.55 111.78 1dki h SER 96 Ca -0.00 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1dki h SER 96 Cb 0.10 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1dki h SER 96 CO 0.00 1.21 0.09 1.88 -1.14 0.00 0.00 176.83 178.88 1dki h TYR 97 N 0.13 0.20 -0.39 3.45 0.99 -0.90 0.01 116.97 120.45 1dki h TYR 97 Ca -0.09 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.68 1dki h TYR 97 Cb 1.72 -0.06 -0.04 0.00 1.00 0.00 0.00 36.73 39.35 1dki h TYR 97 CO 0.05 0.16 0.17 0.28 -0.00 0.00 0.00 178.16 178.82 1dki h VAL 98 N 0.17 0.93 -0.62 -2.88 2.07 -1.44 0.23 116.25 114.72 1dki h VAL 98 Ca 0.05 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1dki h VAL 98 Cb 0.02 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1dki h VAL 98 CO -0.01 0.06 0.33 -0.33 0.02 0.00 0.00 177.57 177.64 1dki h GLU 99 N 0.35 0.87 0.24 1.57 5.08 -1.22 -1.43 114.58 120.03 1dki h GLU 99 Ca 0.17 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1dki h GLU 99 Cb 0.12 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1dki h GLU 99 CO -0.15 0.65 -0.12 1.96 -1.00 0.00 0.00 179.01 180.35 1dki h GLN 100 N 0.87 -0.32 -0.90 2.33 4.20 0.21 -2.08 115.11 119.41 1dki h GLN 100 Ca 0.22 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.99 1dki h GLN 100 Cb 0.05 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 1dki h GLN 100 CO -0.03 -0.05 0.58 0.82 -0.67 0.00 0.00 178.83 179.49 1dki h ILE 101 N -0.57 1.14 0.00 2.54 2.04 -0.39 -0.18 117.51 122.09 1dki h ILE 101 Ca -0.03 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 1dki h ILE 101 Cb 0.42 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1dki h ILE 101 CO 0.06 0.21 -0.18 0.11 0.00 0.00 0.00 178.15 178.34 1dki h LYS 102 N 1.13 0.00 0.00 2.37 1.57 -1.23 -0.49 116.57 119.93 1dki h LYS 102 Ca 0.36 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.02 1dki h LYS 102 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1dki h LYS 102 CO -0.12 0.18 -0.56 0.93 -0.57 0.00 0.00 179.45 179.31 1dki h GLU 103 N 0.00 0.00 0.00 3.15 5.08 -0.33 -2.02 114.58 120.46 1dki h GLU 103 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1dki h GLU 103 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1dki h GLU 103 CO 0.02 0.56 0.00 0.09 -1.00 0.00 0.00 179.01 178.68 1dki n ASN 104 N -3.71 0.00 0.19 1.42 3.02 -0.21 -2.83 115.26 113.13 1dki n ASN 104 Ca -0.01 0.08 0.06 0.00 -0.03 0.00 0.00 54.58 54.69 1dki n ASN 104 Cb 0.59 -0.33 0.30 0.00 -0.61 0.00 0.00 39.78 39.74 1dki n ASN 104 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1dki h LYS 105 N 0.00 0.00 0.00 3.52 1.57 -1.19 -2.94 116.57 117.53 1dki h LYS 105 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1dki h LYS 105 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1dki h LYS 105 CO 0.00 0.36 0.00 1.63 -0.57 0.00 0.00 179.45 180.87 1dki n LYS 106 N -3.43 0.68 0.00 3.15 5.02 -1.13 -5.15 118.16 117.31 1dki n LYS 106 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1dki n LYS 106 Cb 0.53 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1dki n LYS 106 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1dki n LEU 107 N -0.93 0.00 0.00 -0.35 4.77 -1.11 -5.20 117.00 114.18 1dki n LEU 107 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1dki n LEU 107 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1dki n LEU 107 CO 0.11 0.00 0.00 -2.65 -1.33 0.00 0.00 177.39 173.52 1dki n PRO 2 N 0.00 0.00 -3.93 3.23 -0.02 -1.26 -5.08 135.00 127.93 1dki n PRO 2 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 1dki n PRO 2 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.35 1dki n PRO 2 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1dki s VAL 3 N 0.00 3.84 -0.19 -1.45 1.01 -1.26 -3.65 120.40 118.69 1dki s VAL 3 Ca 0.00 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1dki s VAL 3 Cb 0.00 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.66 1dki s VAL 3 CO 0.00 0.40 -0.15 -0.69 0.00 0.00 0.00 175.10 174.66 1dki s VAL 4 N 1.33 1.89 0.19 2.92 1.01 -0.42 -4.94 120.40 122.39 1dki s VAL 4 Ca 0.04 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 1dki s VAL 4 Cb -0.15 -1.84 -0.09 0.00 0.00 0.00 0.00 36.38 34.31 1dki s VAL 4 CO 0.01 0.33 1.36 -0.54 0.00 0.00 0.00 175.10 176.26 1dki s LYS 5 N 1.32 4.34 -0.32 2.72 1.02 -1.26 -1.28 119.74 126.28 1dki s LYS 5 Ca 0.01 2.12 -0.28 0.00 0.02 0.00 0.00 55.97 57.84 1dki s LYS 5 Cb -0.15 -3.19 -0.12 0.00 -0.52 0.00 0.00 37.83 33.85 1dki s LYS 5 CO -0.10 -0.34 1.26 0.45 -0.92 0.00 0.00 175.35 175.70 1dki n SER 6 N 2.88 0.56 -0.18 2.83 2.88 -1.26 -4.75 113.62 116.58 1dki n SER 6 Ca 0.08 0.52 -0.09 0.00 -1.33 0.00 0.00 58.87 58.05 1dki n SER 6 Cb 0.42 -0.57 0.04 0.00 -0.75 0.00 0.00 64.21 63.36 1dki n SER 6 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1dki h LEU 7 N 4.96 1.00 -0.21 2.46 3.38 -1.32 -2.23 115.31 123.35 1dki h LEU 7 Ca -0.13 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.47 1dki h LEU 7 Cb 0.89 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1dki h LEU 7 CO 0.67 1.08 -0.14 -0.07 0.09 0.00 0.00 178.44 180.07 1dki h LEU 8 N 0.91 0.48 -1.37 1.67 3.38 -1.87 -2.95 115.31 115.55 1dki h LEU 8 Ca 0.15 -0.44 0.09 0.00 0.09 0.00 0.00 57.88 57.77 1dki h LEU 8 Cb 0.61 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1dki h LEU 8 CO 0.04 0.82 0.50 0.44 0.09 0.00 0.00 178.44 180.33 1dki h ASP 9 N 0.15 0.65 0.32 -0.43 5.19 -1.79 0.38 116.42 120.89 1dki h ASP 9 Ca 0.04 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1dki h ASP 9 Cb 0.66 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.04 1dki h ASP 9 CO 0.04 0.39 0.00 0.77 -3.12 0.00 0.00 179.24 177.32 1dki h SER 10 N 0.72 0.00 -0.09 6.45 4.64 -1.22 -1.18 113.55 122.87 1dki h SER 10 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1dki h SER 10 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1dki h SER 10 CO -0.13 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.12 1dki n LYS 11 N -2.80 1.50 -2.48 4.77 5.02 -0.01 -4.99 118.16 119.16 1dki n LYS 11 Ca -0.01 -1.33 -0.14 0.00 -2.02 0.00 0.00 58.31 54.81 1dki n LYS 11 Cb 0.13 -1.11 0.01 0.00 -0.02 0.00 0.00 35.03 34.04 1dki n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dki n GLY 12 N 0.11 -0.16 3.57 0.72 0.00 -0.42 -4.85 105.19 104.16 1dki n GLY 12 Ca 0.04 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1dki n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dki s ILE 13 N -2.81 4.83 -0.33 -0.61 1.01 -0.66 -3.94 121.20 118.70 1dki s ILE 13 Ca 0.09 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.42 1dki s ILE 13 Cb -0.04 -4.13 0.14 0.00 0.01 0.00 0.00 42.46 38.44 1dki s ILE 13 CO 0.11 -0.37 0.28 -1.00 0.00 0.00 0.00 174.94 173.96 1dki s HIS 14 N 2.87 -0.08 0.47 3.97 3.76 -0.69 -4.56 115.29 121.02 1dki s HIS 14 Ca 0.27 -0.74 0.06 0.00 -0.15 0.00 0.00 55.06 54.50 1dki s HIS 14 Cb -0.14 -0.59 0.02 0.00 1.11 0.00 0.00 32.58 32.99 1dki s HIS 14 CO 0.16 -0.91 0.65 0.71 -0.85 0.00 0.00 174.74 174.50 1dki s TYR 15 N 1.80 2.70 0.02 1.40 4.12 -1.26 -4.50 117.35 121.63 1dki s TYR 15 Ca 0.13 -0.31 0.00 0.00 0.02 0.00 0.00 57.07 56.92 1dki s TYR 15 Cb -0.16 -2.49 -0.00 0.00 -1.52 0.00 0.00 41.96 37.79 1dki s TYR 15 CO -0.18 -0.63 0.02 -1.71 0.02 0.00 0.00 175.55 173.07 1dki n ASN 16 N -2.04 0.08 -0.00 2.29 2.85 -1.26 -1.24 115.26 115.95 1dki n ASN 16 Ca 0.09 -1.13 0.05 0.00 -0.11 0.00 0.00 54.58 53.48 1dki n ASN 16 Cb 0.59 0.09 -0.07 0.00 1.24 0.00 0.00 39.78 41.64 1dki n ASN 16 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1dki n GLN 17 N -0.04 3.08 0.00 1.20 6.02 -1.25 -4.86 117.38 121.53 1dki n GLN 17 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1dki n GLN 17 Cb 0.04 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 30.25 1dki n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1dki n GLY 18 N 1.31 3.36 3.76 1.08 0.00 -1.26 -1.89 105.19 111.55 1dki n GLY 18 Ca 0.02 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 1dki n GLY 18 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dki n ASN 19 N 0.00 3.82 -0.91 1.61 2.85 -1.26 -0.54 115.26 120.84 1dki n ASN 19 Ca 0.00 1.19 0.11 0.00 -0.11 0.00 0.00 54.58 55.77 1dki n ASN 19 Cb 0.00 -1.61 0.27 0.00 1.24 0.00 0.00 39.78 39.68 1dki n ASN 19 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1dki n PRO 20 N 1.29 2.19 0.06 1.20 -0.04 -1.26 -4.87 135.00 133.56 1dki n PRO 20 Ca 0.05 -1.80 0.06 0.00 -0.04 0.00 0.00 63.50 61.77 1dki n PRO 20 Cb 0.38 -1.46 0.49 0.00 -0.04 0.00 0.00 33.50 32.86 1dki n PRO 20 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1dki h TYR 21 N 3.59 0.37 -0.59 0.54 -1.99 -1.15 -2.77 116.97 114.98 1dki h TYR 21 Ca 0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1dki h TYR 21 Cb 0.79 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.39 1dki h TYR 21 CO 0.18 0.23 0.00 0.27 -0.00 0.00 0.00 178.16 178.84 1dki n ASN 22 N -4.49 5.29 0.12 3.88 6.94 -0.77 -4.38 115.26 121.86 1dki n ASN 22 Ca 0.02 -2.76 0.09 0.00 -0.02 0.00 0.00 54.58 51.92 1dki n ASN 22 Cb 0.10 -0.64 0.46 0.00 -2.36 0.00 0.00 39.78 37.35 1dki n ASN 22 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1dki n LEU 23 N 0.75 0.46 0.00 -4.53 4.77 -1.05 -2.08 117.00 115.32 1dki n LEU 23 Ca 0.27 0.69 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 1dki n LEU 23 Cb 1.07 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1dki n LEU 23 CO 0.29 -0.79 0.48 0.18 -1.33 0.00 0.00 177.39 176.22 1dki n LEU 24 N -2.10 1.90 -4.81 2.23 4.77 -1.26 -5.03 117.00 112.71 1dki n LEU 24 Ca -0.00 -1.90 -0.30 0.00 -0.03 0.00 0.00 56.01 53.77 1dki n LEU 24 Cb 0.06 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.24 1dki n LEU 24 CO 0.10 0.47 0.71 0.42 -1.33 0.00 0.00 177.39 177.76 1dki s THR 25 N -0.93 3.30 0.45 -5.08 -4.23 -0.88 -4.86 115.64 103.40 1dki s THR 25 Ca 0.00 0.42 -0.25 0.00 -1.18 0.00 0.00 61.69 60.68 1dki s THR 25 Cb 0.00 -3.15 -0.09 0.00 1.34 0.00 0.00 72.50 70.60 1dki s THR 25 CO 0.00 -0.55 1.39 -2.65 -0.54 0.00 0.00 174.62 172.27 1dki n PRO 26 N -3.37 2.14 -3.03 3.99 -0.02 -1.26 -4.55 135.00 128.90 1dki n PRO 26 Ca 0.07 0.76 -0.41 0.00 -2.02 0.00 0.00 63.50 61.91 1dki n PRO 26 Cb 0.55 -2.57 -0.05 0.00 -0.02 0.00 0.00 33.50 31.42 1dki n PRO 26 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1dki s VAL 27 N -1.20 4.96 0.19 -1.45 1.01 -1.26 -1.37 120.40 121.28 1dki s VAL 27 Ca 0.62 1.35 -0.33 0.00 0.00 0.00 0.00 61.98 63.62 1dki s VAL 27 Cb -0.46 -4.02 -0.14 0.00 0.00 0.00 0.00 36.38 31.77 1dki s VAL 27 CO 0.57 0.06 1.53 -0.38 0.00 0.00 0.00 175.10 176.89 1dki n ILE 28 N 4.80 0.33 -0.02 2.22 5.41 0.07 -4.81 119.36 127.37 1dki n ILE 28 Ca 0.01 -0.08 0.03 0.00 1.00 0.00 0.00 62.75 63.71 1dki n ILE 28 Cb 0.49 -1.56 -0.09 0.00 -0.71 0.00 0.00 39.64 37.77 1dki n ILE 28 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1dki n GLU 29 N 2.96 0.86 -4.23 0.38 1.02 -0.33 -0.67 120.64 120.63 1dki n GLU 29 Ca 0.15 -0.08 -0.19 0.00 -0.02 0.00 0.00 57.16 57.02 1dki n GLU 29 Cb 0.30 -1.29 -0.11 0.00 -0.02 0.00 0.00 31.44 30.32 1dki n GLU 29 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1dki s LYS 30 N -2.69 0.98 -0.11 3.49 1.02 -0.46 -4.93 119.74 117.04 1dki s LYS 30 Ca -0.05 -1.16 -0.18 0.00 0.02 0.00 0.00 55.97 54.60 1dki s LYS 30 Cb 0.07 -0.93 -0.04 0.00 -0.52 0.00 0.00 37.83 36.40 1dki s LYS 30 CO 0.49 0.19 0.46 0.08 -0.92 0.00 0.00 175.35 175.65 1dki s VAL 31 N -1.84 5.18 -0.04 3.17 1.01 -1.26 -4.60 120.40 122.02 1dki s VAL 31 Ca 0.06 0.91 -0.30 0.00 0.00 0.00 0.00 61.98 62.65 1dki s VAL 31 Cb -0.07 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1dki s VAL 31 CO 0.03 0.35 1.21 -0.75 0.00 0.00 0.00 175.10 175.95 1dki s LYS 32 N 0.47 4.36 -0.17 2.72 2.20 -1.26 -4.92 119.74 123.13 1dki s LYS 32 Ca 0.25 1.70 -0.41 0.00 -0.36 0.00 0.00 55.97 57.15 1dki s LYS 32 Cb -0.15 -3.54 -0.19 0.00 -1.51 0.00 0.00 37.83 32.45 1dki s LYS 32 CO 0.10 -0.44 1.39 -2.30 -0.36 0.00 0.00 175.35 173.74 1dki n PRO 33 N 5.08 0.44 -0.62 4.03 -0.02 -1.26 -0.68 135.00 141.97 1dki n PRO 33 Ca 0.11 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1dki n PRO 33 Cb 0.46 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1dki n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dki n GLY 34 N 2.86 1.37 3.68 -1.23 0.00 -1.26 -5.03 105.19 105.58 1dki n GLY 34 Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 1dki n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dki s GLU 35 N -0.15 2.43 0.52 1.61 2.12 0.15 -5.11 118.70 120.26 1dki s GLU 35 Ca 0.00 -1.27 -0.21 0.00 0.36 0.00 0.00 54.97 53.86 1dki s GLU 35 Cb 0.00 -2.28 -0.06 0.00 0.26 0.00 0.00 34.13 32.04 1dki s GLU 35 CO 0.00 0.40 1.15 -0.65 -0.54 0.00 0.00 175.26 175.62 1dki s GLN 36 N -3.49 3.47 0.23 4.30 -1.52 -1.26 -4.65 119.66 116.74 1dki s GLN 36 Ca 0.30 1.69 -0.30 0.00 -1.95 0.00 0.00 55.36 55.11 1dki s GLN 36 Cb -0.07 -2.15 -0.09 0.00 -0.22 0.00 0.00 33.01 30.48 1dki s GLN 36 CO 0.20 -0.77 1.15 0.45 -0.25 0.00 0.00 175.29 176.07 1dki s SER 37 N -1.60 7.18 -0.04 5.90 0.15 -1.26 -4.79 113.70 119.23 1dki s SER 37 Ca 0.70 2.24 0.06 0.00 0.70 0.00 0.00 55.95 59.65 1dki s SER 37 Cb -0.26 -2.62 0.10 0.00 -1.71 0.00 0.00 66.02 61.53 1dki s SER 37 CO 0.30 -0.26 1.00 0.49 1.20 0.00 0.00 173.24 175.97 1dki n PHE 38 N 1.89 0.00 -1.68 3.44 3.01 -1.26 -5.06 117.46 117.80 1dki n PHE 38 Ca 0.02 -0.58 -0.45 0.00 1.01 0.00 0.00 57.45 57.45 1dki n PHE 38 Cb 0.45 -0.08 -0.04 0.00 -0.01 0.00 0.00 39.48 39.80 1dki n PHE 38 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1dki n VAL 39 N -0.73 0.07 0.00 -4.37 0.31 -1.26 -1.54 118.33 110.81 1dki n VAL 39 Ca 0.05 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1dki n VAL 39 Cb 0.44 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1dki n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1dki n GLY 40 N 3.41 1.47 3.88 2.92 0.00 0.16 -4.99 105.19 112.04 1dki n GLY 40 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1dki n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dki s GLN 41 N -0.84 3.74 0.19 1.61 -0.21 -0.59 -4.82 119.66 118.74 1dki s GLN 41 Ca 0.00 0.16 -0.30 0.00 0.02 0.00 0.00 55.36 55.24 1dki s GLN 41 Cb 0.00 -2.69 -0.08 0.00 1.00 0.00 0.00 33.01 31.25 1dki s GLN 41 CO 0.00 0.33 1.03 -1.01 -2.12 0.00 0.00 175.29 173.52 1dki s HIS 42 N -1.83 3.73 0.87 0.91 3.76 -1.26 -0.75 115.29 120.73 1dki s HIS 42 Ca 0.45 1.73 -0.10 0.00 -0.15 0.00 0.00 55.06 57.00 1dki s HIS 42 Cb -0.11 -3.16 0.12 0.00 1.11 0.00 0.00 32.58 30.54 1dki s HIS 42 CO 0.23 -0.16 1.14 0.00 -0.85 0.00 0.00 174.74 175.10 1dki s ALA 43 N -0.53 1.69 0.68 -1.40 0.00 -0.47 -4.89 121.76 116.84 1dki s ALA 43 Ca 0.46 0.53 -0.17 0.00 0.00 0.00 0.00 51.96 52.78 1dki s ALA 43 Cb -0.28 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.45 1dki s ALA 43 CO 0.34 -2.48 1.25 0.00 0.00 0.00 0.00 175.76 174.87 1dki s ALA 44 N -2.68 2.26 0.26 0.00 0.00 -0.52 -4.79 121.76 116.29 1dki s ALA 44 Ca 0.66 1.06 0.15 0.00 0.00 0.00 0.00 51.96 53.83 1dki s ALA 44 Cb -0.22 -3.51 0.60 0.00 0.00 0.00 0.00 23.12 19.98 1dki s ALA 44 CO 0.57 -1.71 1.72 1.79 0.00 0.00 0.00 175.76 178.13 1dki h THR 45 N 0.19 1.17 0.00 0.00 1.35 -1.73 -3.42 112.91 110.47 1dki h THR 45 Ca -0.49 -1.66 0.00 0.00 -0.55 0.00 0.00 66.41 63.70 1dki h THR 45 Cb 1.32 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 1dki h THR 45 CO 0.52 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.84 1dki n GLY 46 N 0.06 1.31 0.33 5.82 0.00 -1.26 -4.38 105.19 107.07 1dki n GLY 46 Ca -0.01 -1.45 0.04 0.00 0.00 0.00 0.00 46.02 44.59 1dki n GLY 46 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1dki h SER 47 N 0.00 0.58 -0.50 1.61 4.64 -1.89 -1.33 113.55 116.66 1dki h SER 47 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1dki h SER 47 Cb 0.00 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 1dki h SER 47 CO 0.00 0.41 0.33 0.58 -0.87 0.00 0.00 176.83 177.28 1dki h VAL 48 N 0.68 1.13 -0.29 0.95 2.07 -1.85 0.19 116.25 119.13 1dki h VAL 48 Ca 0.21 -0.23 -0.18 0.00 0.82 0.00 0.00 66.70 67.31 1dki h VAL 48 Cb -0.00 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1dki h VAL 48 CO -0.05 0.12 -0.53 0.00 0.02 0.00 0.00 177.57 177.13 1dki h ALA 49 N 1.18 0.51 -0.63 1.67 0.00 -1.59 -1.95 119.26 118.45 1dki h ALA 49 Ca 0.18 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1dki h ALA 49 Cb -0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1dki h ALA 49 CO -0.04 0.68 0.03 1.15 0.00 0.00 0.00 179.25 181.07 1dki h THR 50 N 0.66 1.27 -0.08 0.00 2.02 -1.09 0.16 112.91 115.84 1dki h THR 50 Ca 0.02 -1.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 1dki h THR 50 Cb 1.13 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1dki h THR 50 CO 0.12 0.42 0.04 0.00 0.37 0.00 0.00 175.52 176.46 1dki h ALA 51 N 1.01 0.11 -0.63 6.16 0.00 -0.94 -2.23 119.26 122.73 1dki h ALA 51 Ca 0.18 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1dki h ALA 51 Cb 0.54 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1dki h ALA 51 CO 0.03 -0.32 0.41 1.15 0.00 0.00 0.00 179.25 180.51 1dki h THR 52 N -0.00 1.14 -0.54 0.00 2.02 -1.15 -2.50 112.91 111.87 1dki h THR 52 Ca 0.03 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 1dki h THR 52 Cb 0.14 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 1dki h THR 52 CO -0.00 0.15 0.17 0.00 0.37 0.00 0.00 175.52 176.21 1dki h ALA 53 N 1.24 1.29 -0.49 6.16 0.00 -0.55 -1.09 119.26 125.81 1dki h ALA 53 Ca 0.24 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1dki h ALA 53 Cb -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1dki h ALA 53 CO -0.06 0.51 -0.07 1.96 0.00 0.00 0.00 179.25 181.59 1dki h GLN 54 N 0.79 0.92 -0.71 0.00 4.20 -1.18 -0.18 115.11 118.94 1dki h GLN 54 Ca 0.18 -0.33 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 1dki h GLN 54 Cb 0.22 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 1dki h GLN 54 CO -0.01 0.98 0.18 0.82 -0.67 0.00 0.00 178.83 180.13 1dki h ILE 55 N 0.78 1.26 -0.66 2.54 2.04 -1.11 -1.48 117.51 120.88 1dki h ILE 55 Ca 0.13 -0.97 -0.06 0.00 1.00 0.00 0.00 64.86 64.96 1dki h ILE 55 Cb 0.62 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1dki h ILE 55 CO 0.04 0.37 0.16 0.24 0.00 0.00 0.00 178.15 178.97 1dki h MET 56 N 1.07 1.04 -0.33 2.37 2.86 -0.88 -2.12 114.93 118.94 1dki h MET 56 Ca 0.22 -0.23 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1dki h MET 56 Cb 0.37 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1dki h MET 56 CO 0.00 0.92 -0.05 -0.22 1.06 0.00 0.00 176.91 178.62 1dki h LYS 57 N 0.99 0.52 -0.81 1.72 1.63 -0.65 0.21 116.57 120.18 1dki h LYS 57 Ca 0.21 -0.13 0.04 0.00 -0.85 0.00 0.00 60.65 59.92 1dki h LYS 57 Cb 0.34 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.86 1dki h LYS 57 CO 0.00 0.59 0.53 -0.92 -3.45 0.00 0.00 179.45 176.20 1dki h TYR 58 N 0.50 0.95 -0.00 1.91 3.20 -0.59 -1.85 116.97 121.09 1dki h TYR 58 Ca 0.10 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1dki h TYR 58 Cb 0.40 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.35 1dki h TYR 58 CO 0.01 0.54 -0.60 0.72 -1.64 0.00 0.00 178.16 177.19 1dki n HIS 59 N -4.46 0.00 -3.97 -3.82 8.25 -0.70 -4.96 115.22 105.56 1dki n HIS 59 Ca 0.11 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.25 1dki n HIS 59 Cb 0.14 -0.18 -0.01 0.00 1.12 0.00 0.00 29.99 31.06 1dki n HIS 59 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1dki n ASN 60 N -1.42 -1.99 -3.80 0.41 3.02 0.66 -4.96 115.26 107.18 1dki n ASN 60 Ca 0.06 -1.11 -0.12 0.00 -0.03 0.00 0.00 54.58 53.37 1dki n ASN 60 Cb 0.34 -2.62 -0.10 0.00 -0.61 0.00 0.00 39.78 36.79 1dki n ASN 60 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1dki s TYR 61 N -3.84 -0.12 0.62 3.10 5.04 -1.14 -4.67 117.35 116.34 1dki s TYR 61 Ca 0.21 0.22 -0.03 0.00 -2.44 0.00 0.00 57.07 55.03 1dki s TYR 61 Cb -0.09 0.05 0.05 0.00 0.35 0.00 0.00 41.96 42.31 1dki s TYR 61 CO 0.92 -0.30 0.89 -1.25 -1.34 0.00 0.00 175.55 174.47 1dki s PRO 62 N -1.04 2.38 0.02 4.97 0.04 -1.26 -4.77 135.00 135.34 1dki s PRO 62 Ca -0.11 -0.53 -0.01 0.00 0.04 0.00 0.00 61.00 60.39 1dki s PRO 62 Cb -0.05 -2.34 -0.27 0.00 0.04 0.00 0.00 34.50 31.88 1dki s PRO 62 CO 0.02 -0.96 0.93 -0.91 0.04 0.00 0.00 177.00 176.12 1dki h ASN 63 N -0.25 0.32 -3.38 6.66 4.21 -1.84 -3.41 115.58 117.89 1dki h ASN 63 Ca -0.43 -0.43 -0.58 0.00 1.21 0.00 0.00 56.30 56.07 1dki h ASN 63 Cb 1.31 -0.11 -0.33 0.00 -1.12 0.00 0.00 38.32 38.07 1dki h ASN 63 CO 0.56 1.36 -0.84 -0.54 -1.29 0.00 0.00 177.43 176.68 1dki s LYS 64 N -2.63 2.22 0.56 0.81 1.02 -1.26 -0.92 119.74 119.53 1dki s LYS 64 Ca -0.07 -0.59 -0.19 0.00 0.02 0.00 0.00 55.97 55.14 1dki s LYS 64 Cb 0.07 -1.76 -0.05 0.00 -0.52 0.00 0.00 37.83 35.57 1dki s LYS 64 CO 0.85 0.07 1.14 0.20 -0.92 0.00 0.00 175.35 176.70 1dki s GLY 65 N 0.57 2.65 -0.22 -3.33 0.00 -0.16 -4.86 107.32 101.97 1dki s GLY 65 Ca -0.16 0.85 0.01 0.00 0.00 0.00 0.00 44.72 45.43 1dki s GLY 65 CO 0.05 1.22 -0.19 1.04 0.00 0.00 0.00 173.10 175.22 1dki n LEU 66 N -1.38 2.96 -3.88 0.66 4.77 0.16 -4.37 117.00 115.91 1dki n LEU 66 Ca 0.12 -0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 1dki n LEU 66 Cb 0.51 -0.75 -0.14 0.00 -2.33 0.00 0.00 43.42 40.71 1dki n LEU 66 CO 0.43 0.86 -0.36 -0.54 -1.33 0.00 0.00 177.39 176.44 1dki s LYS 67 N -2.43 0.06 0.94 3.23 3.01 -1.19 -4.49 119.74 118.87 1dki s LYS 67 Ca -0.29 -0.05 -0.12 0.00 -1.01 0.00 0.00 55.97 54.50 1dki s LYS 67 Cb 0.08 -0.04 0.16 0.00 -1.01 0.00 0.00 37.83 37.02 1dki s LYS 67 CO 0.50 0.01 1.10 -0.51 0.51 0.00 0.00 175.35 176.95 1dki s ASP 68 N -0.08 3.12 -0.10 2.83 1.01 -1.26 -3.79 116.67 118.40 1dki s ASP 68 Ca -0.01 1.24 -0.11 0.00 0.71 0.00 0.00 52.55 54.38 1dki s ASP 68 Cb -0.01 -1.90 0.03 0.00 1.01 0.00 0.00 42.92 42.05 1dki s ASP 68 CO -0.00 -2.83 0.31 -0.47 0.21 0.00 0.00 175.17 172.39 1dki s TYR 69 N -3.02 -0.31 0.04 4.23 5.04 -0.74 -4.90 117.35 117.69 1dki s TYR 69 Ca 0.64 0.72 -0.04 0.00 -2.44 0.00 0.00 57.07 55.94 1dki s TYR 69 Cb -0.17 0.11 -0.01 0.00 0.35 0.00 0.00 41.96 42.23 1dki s TYR 69 CO 0.56 -0.21 0.07 -0.08 -1.34 0.00 0.00 175.55 174.56 1dki s THR 70 N -0.13 0.14 0.14 4.34 -1.32 -1.26 -1.14 115.64 116.41 1dki s THR 70 Ca -0.03 -1.13 -0.24 0.00 -1.21 0.00 0.00 61.69 59.08 1dki s THR 70 Cb -0.03 -0.86 0.07 0.00 -1.51 0.00 0.00 72.50 70.17 1dki s THR 70 CO 0.01 -0.62 0.73 -0.72 -2.21 0.00 0.00 174.62 171.80 1dki s TYR 71 N -2.56 -0.39 -0.14 9.09 -0.85 -0.54 -5.00 117.35 116.96 1dki s TYR 71 Ca -0.05 0.15 -0.05 0.00 -0.52 0.00 0.00 57.07 56.59 1dki s TYR 71 Cb -0.02 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.88 1dki s TYR 71 CO -0.04 -0.84 0.04 0.99 -1.52 0.00 0.00 175.55 174.17 1dki s THR 72 N -3.58 4.60 0.34 -3.49 2.01 -1.26 -0.01 115.64 114.25 1dki s THR 72 Ca 0.05 -0.12 -0.29 0.00 0.31 0.00 0.00 61.69 61.64 1dki s THR 72 Cb -0.02 -3.01 -0.10 0.00 0.01 0.00 0.00 72.50 69.38 1dki s THR 72 CO -0.07 0.53 1.34 -0.22 -0.69 0.00 0.00 174.62 175.52 1dki s LEU 73 N -0.23 4.40 -0.05 4.42 2.96 0.62 -4.89 118.68 125.91 1dki s LEU 73 Ca 0.07 2.77 -0.38 0.00 -0.22 0.00 0.00 54.13 56.36 1dki s LEU 73 Cb -0.12 -3.65 -0.17 0.00 0.50 0.00 0.00 46.19 42.75 1dki s LEU 73 CO 0.02 -0.61 1.46 -0.24 -1.32 0.00 0.00 176.35 175.66 1dki n SER 74 N 0.72 1.78 0.19 3.68 2.88 -1.26 -4.74 113.62 116.87 1dki n SER 74 Ca 0.00 1.11 0.17 0.00 -1.33 0.00 0.00 58.87 58.82 1dki n SER 74 Cb 0.41 -1.15 0.81 0.00 -0.75 0.00 0.00 64.21 63.53 1dki n SER 74 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1dki h SER 75 N 5.35 0.00 0.08 -3.46 4.64 -1.99 -1.29 113.55 116.88 1dki h SER 75 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1dki h SER 75 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1dki h SER 75 CO 0.83 0.00 -0.08 -0.46 -0.87 0.00 0.00 176.83 176.25 1dki n ASN 76 N -3.83 1.23 -4.65 4.97 0.23 -1.26 -4.88 115.26 107.07 1dki n ASN 76 Ca 0.02 -1.24 -0.42 0.00 -0.53 0.00 0.00 54.58 52.41 1dki n ASN 76 Cb 0.36 0.03 -0.03 0.00 -2.08 0.00 0.00 39.78 38.07 1dki n ASN 76 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1dki s ASN 77 N -2.18 6.42 0.00 0.53 3.84 -0.49 -4.87 114.94 118.19 1dki s ASN 77 Ca 0.34 2.25 0.21 0.00 0.21 0.00 0.00 52.86 55.86 1dki s ASN 77 Cb 0.20 -2.53 0.98 0.00 -0.55 0.00 0.00 41.25 39.36 1dki s ASN 77 CO 0.40 -1.13 1.66 -0.81 -2.79 0.00 0.00 177.10 174.43 1dki n PRO 78 N 7.53 1.34 0.01 0.43 -0.04 -1.26 -4.03 135.00 138.97 1dki n PRO 78 Ca 0.20 -0.51 0.11 0.00 -0.04 0.00 0.00 63.50 63.25 1dki n PRO 78 Cb 0.43 -1.35 0.02 0.00 -0.04 0.00 0.00 33.50 32.55 1dki n PRO 78 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1dki n TYR 79 N -0.28 0.08 -4.09 0.54 4.02 -1.26 -4.38 117.16 111.80 1dki n TYR 79 Ca 0.16 0.02 -0.13 0.00 -0.01 0.00 0.00 57.90 57.94 1dki n TYR 79 Cb 0.19 -0.22 -0.11 0.00 -0.02 0.00 0.00 39.34 39.18 1dki n TYR 79 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1dki s PHE 80 N -3.09 0.73 0.51 -0.72 0.40 -1.26 -1.19 117.98 113.37 1dki s PHE 80 Ca 0.07 -0.59 -0.20 0.00 -0.60 0.00 0.00 56.93 55.60 1dki s PHE 80 Cb 0.16 -0.43 -0.07 0.00 0.51 0.00 0.00 43.02 43.19 1dki s PHE 80 CO 0.81 -0.10 1.12 -0.80 0.70 0.00 0.00 175.22 176.95 1dki s ASN 81 N -1.91 5.95 0.16 1.36 0.01 -1.26 -4.95 114.94 114.29 1dki s ASN 81 Ca -0.05 2.15 0.10 0.00 -0.71 0.00 0.00 52.86 54.35 1dki s ASN 81 Cb -0.07 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 1dki s ASN 81 CO -0.01 -1.06 -0.20 -1.00 -1.51 0.00 0.00 177.10 173.33 1dki s HIS 82 N -1.76 2.44 0.58 2.20 3.76 -1.26 -4.21 115.29 117.05 1dki s HIS 82 Ca 0.70 -0.30 -0.14 0.00 -0.15 0.00 0.00 55.06 55.17 1dki s HIS 82 Cb -0.23 -1.25 -0.05 0.00 1.11 0.00 0.00 32.58 32.15 1dki s HIS 82 CO 0.27 0.44 1.02 -1.25 -0.85 0.00 0.00 174.74 174.37 1dki s PRO 83 N -2.43 3.68 -0.04 8.40 0.04 -1.26 -5.19 135.00 138.20 1dki s PRO 83 Ca 0.20 0.87 -0.02 0.00 0.04 0.00 0.00 61.00 62.09 1dki s PRO 83 Cb -0.09 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.39 1dki s PRO 83 CO 0.10 -0.50 0.07 0.21 0.04 0.00 0.00 177.00 176.93 1dki s LYS 84 N -4.66 -0.04 -0.11 4.56 2.20 -1.26 -5.07 119.74 115.36 1dki s LYS 84 Ca 0.57 0.36 0.01 0.00 -0.36 0.00 0.00 55.97 56.55 1dki s LYS 84 Cb -0.11 -0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 35.81 1dki s LYS 84 CO 0.44 -0.27 -0.14 -0.80 -0.36 0.00 0.00 175.35 174.22 1dki s ASN 85 N 1.82 4.00 0.01 1.43 0.01 -1.26 -0.28 114.94 120.68 1dki s ASN 85 Ca -0.00 -0.30 0.02 0.00 -0.71 0.00 0.00 52.86 51.86 1dki s ASN 85 Cb -0.12 -1.44 -0.04 0.00 0.41 0.00 0.00 41.25 40.06 1dki s ASN 85 CO -0.04 0.21 0.02 -0.76 -1.51 0.00 0.00 177.10 175.02 1dki s LEU 86 N 0.11 3.61 -0.06 0.60 1.02 0.99 -4.97 118.68 119.98 1dki s LEU 86 Ca -0.06 0.01 -0.05 0.00 0.02 0.00 0.00 54.13 54.04 1dki s LEU 86 Cb -0.15 -2.13 0.02 0.00 0.02 0.00 0.00 46.19 43.95 1dki s LEU 86 CO 0.05 0.26 0.16 0.12 0.02 0.00 0.00 176.35 176.96 1dki s PHE 87 N -1.16 -0.18 -0.09 0.29 5.36 -1.26 -1.47 117.98 119.47 1dki s PHE 87 Ca 0.22 0.44 -0.00 0.00 -0.96 0.00 0.00 56.93 56.62 1dki s PHE 87 Cb -0.12 0.05 0.02 0.00 -0.34 0.00 0.00 43.02 42.64 1dki s PHE 87 CO 0.13 -0.09 -0.05 0.00 -1.46 0.00 0.00 175.22 173.74 1dki s ALA 88 N 0.16 1.07 -1.54 11.12 0.00 -0.29 -5.02 121.76 127.27 1dki s ALA 88 Ca -0.01 -0.36 -0.09 0.00 0.00 0.00 0.00 51.96 51.50 1dki s ALA 88 Cb -0.02 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1dki s ALA 88 CO -0.00 -0.36 2.79 0.00 0.00 0.00 0.00 175.76 178.18 1dki n ALA 89 N 4.86 7.33 0.09 0.00 0.00 -1.26 -1.79 120.51 129.75 1dki n ALA 89 Ca -0.12 -3.69 0.04 0.00 0.00 0.00 0.00 53.44 49.66 1dki n ALA 89 Cb 0.50 -3.21 0.44 0.00 0.00 0.00 0.00 19.45 17.19 1dki n ALA 89 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1dki h ILE 90 N 2.90 1.12 0.00 0.00 2.04 -1.91 -1.00 117.51 120.66 1dki h ILE 90 Ca 0.82 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 66.27 1dki h ILE 90 Cb 0.29 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1dki h ILE 90 CO 1.70 0.15 0.00 0.77 0.00 0.00 0.00 178.15 180.77 1dki h SER 91 N 0.32 0.00 -0.05 1.72 4.64 -1.76 -1.96 113.55 116.46 1dki h SER 91 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1dki h SER 91 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1dki h SER 91 CO -0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 1dki n THR 92 N -2.41 0.04 -2.73 2.95 -2.24 -0.38 -4.69 114.28 104.81 1dki n THR 92 Ca -0.01 -0.51 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 1dki n THR 92 Cb 0.10 1.43 -0.05 0.00 -2.10 0.00 0.00 70.33 69.71 1dki n THR 92 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dki s ARG 93 N -1.96 4.74 -0.41 -0.78 1.81 -0.74 -4.95 118.95 116.66 1dki s ARG 93 Ca 0.29 1.46 0.03 0.00 -1.72 0.00 0.00 55.73 55.79 1dki s ARG 93 Cb 0.20 -3.35 0.12 0.00 -0.45 0.00 0.00 34.95 31.46 1dki s ARG 93 CO 0.30 0.28 0.16 -0.65 -0.68 0.00 0.00 175.30 174.71 1dki s GLN 94 N -0.28 1.45 -0.10 3.54 -1.52 -1.26 -0.99 119.66 120.50 1dki s GLN 94 Ca 0.46 -1.98 -0.30 0.00 -1.95 0.00 0.00 55.36 51.59 1dki s GLN 94 Cb -0.24 -2.85 -0.02 0.00 -0.22 0.00 0.00 33.01 29.68 1dki s GLN 94 CO 0.30 -1.04 1.17 0.71 -0.25 0.00 0.00 175.29 176.18 1dki s TYR 95 N 0.56 3.18 -0.56 0.91 1.51 -0.10 -5.00 117.35 117.85 1dki s TYR 95 Ca 0.14 1.25 -0.16 0.00 -1.01 0.00 0.00 57.07 57.29 1dki s TYR 95 Cb -0.22 -3.39 0.13 0.00 -0.11 0.00 0.00 41.96 38.38 1dki s TYR 95 CO -0.07 -1.15 0.53 1.21 -1.11 0.00 0.00 175.55 174.97 1dki s ASN 96 N 1.50 6.23 0.08 2.29 3.84 -1.26 -4.72 114.94 122.90 1dki s ASN 96 Ca 0.53 -1.83 0.11 0.00 0.21 0.00 0.00 52.86 51.89 1dki s ASN 96 Cb -0.22 -2.22 0.51 0.00 -0.55 0.00 0.00 41.25 38.78 1dki s ASN 96 CO 0.18 -0.86 1.35 0.79 -2.79 0.00 0.00 177.10 175.77 1dki n TRP 97 N 5.24 0.22 0.09 0.43 7.02 -1.26 -1.22 117.44 127.96 1dki n TRP 97 Ca -0.12 0.10 -0.08 0.00 -1.02 0.00 0.00 57.50 56.38 1dki n TRP 97 Cb 0.41 -0.66 -0.03 0.00 -2.42 0.00 0.00 31.31 28.61 1dki n TRP 97 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 1dki h ASN 98 N 0.00 0.18 1.22 -0.99 -0.26 -2.01 -3.23 115.58 110.49 1dki h ASN 98 Ca 0.00 -0.16 -0.08 0.00 -0.56 0.00 0.00 56.30 55.50 1dki h ASN 98 Cb 0.13 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 1dki h ASN 98 CO 0.00 0.99 -0.82 0.78 -1.06 0.00 0.00 177.43 177.33 1dki h ASN 99 N 0.07 0.00 -2.24 5.81 2.35 -1.54 -3.40 115.58 116.62 1dki h ASN 99 Ca -0.04 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.07 1dki h ASN 99 Cb 1.56 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.79 1dki h ASN 99 CO 0.13 0.31 0.88 -0.63 -1.65 0.00 0.00 177.43 176.47 1dki s ILE 100 N -3.10 4.38 0.69 2.81 1.01 -0.83 -4.47 121.20 121.69 1dki s ILE 100 Ca 0.01 -0.90 -0.14 0.00 0.00 0.00 0.00 60.65 59.62 1dki s ILE 100 Cb 0.08 -4.81 0.01 0.00 0.01 0.00 0.00 42.46 37.75 1dki s ILE 100 CO 0.76 -1.60 1.11 -0.76 0.00 0.00 0.00 174.94 174.46 1dki s LEU 101 N 3.76 3.32 0.47 2.97 1.43 -1.26 -4.87 118.68 124.50 1dki s LEU 101 Ca 0.32 2.00 0.21 0.00 -1.03 0.00 0.00 54.13 55.63 1dki s LEU 101 Cb -0.08 -4.55 1.15 0.00 0.03 0.00 0.00 46.19 42.74 1dki s LEU 101 CO -0.02 -1.77 1.99 1.55 0.23 0.00 0.00 176.35 178.34 1dki h PRO 102 N -0.21 0.00 -3.11 1.29 0.13 -1.89 -3.45 132.00 124.77 1dki h PRO 102 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1dki h PRO 102 Cb 1.25 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.26 1dki h PRO 102 CO 0.53 0.19 0.14 -0.08 -0.23 0.00 0.00 178.00 178.55 1dki s THR 103 N -4.30 0.02 -0.06 1.56 -1.32 -1.25 -1.70 115.64 108.58 1dki s THR 103 Ca -0.03 -0.27 0.04 0.00 -1.21 0.00 0.00 61.69 60.22 1dki s THR 103 Cb 0.14 -1.17 -0.00 0.00 -1.51 0.00 0.00 72.50 69.96 1dki s THR 103 CO 0.65 -0.07 -0.19 -0.31 -2.21 0.00 0.00 174.62 172.49 1dki s TYR 104 N -3.79 1.94 -0.18 9.09 1.51 -1.26 -5.04 117.35 119.62 1dki s TYR 104 Ca 0.03 -0.64 -0.20 0.00 -1.01 0.00 0.00 57.07 55.25 1dki s TYR 104 Cb -0.01 -1.31 -0.16 0.00 -0.11 0.00 0.00 41.96 40.36 1dki s TYR 104 CO -0.10 -0.24 0.24 0.66 -1.11 0.00 0.00 175.55 174.99 1dki h SER 105 N 6.45 0.00 0.00 2.29 4.64 -1.99 -3.49 113.55 121.45 1dki h SER 105 Ca -0.30 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 60.54 1dki h SER 105 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1dki h SER 105 CO 0.47 1.21 0.00 0.61 -0.87 0.00 0.00 176.83 178.25 1dki n GLY 106 N 1.52 2.43 2.51 -0.77 0.00 -1.26 -5.01 105.19 104.61 1dki n GLY 106 Ca -0.22 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 1dki n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dki n ARG 107 N 0.00 2.78 -2.16 1.61 5.12 -1.26 -4.98 116.66 117.77 1dki n ARG 107 Ca 0.00 -3.45 -0.32 0.00 -1.93 0.00 0.00 57.85 52.15 1dki n ARG 107 Cb 0.00 -2.28 -0.01 0.00 -1.16 0.00 0.00 32.46 29.01 1dki n ARG 107 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1dki s GLU 108 N -3.89 3.69 1.00 5.56 8.01 -1.26 -5.04 118.70 126.77 1dki s GLU 108 Ca 0.60 0.95 -0.14 0.00 0.01 0.00 0.00 54.97 56.39 1dki s GLU 108 Cb 0.48 -2.10 0.19 0.00 -4.31 0.00 0.00 34.13 28.39 1dki s GLU 108 CO -0.14 -0.49 1.15 -1.54 0.01 0.00 0.00 175.26 174.25 1dki s SER 109 N -3.31 2.74 0.32 -0.19 1.04 -1.26 -4.76 113.70 108.28 1dki s SER 109 Ca 0.59 0.83 0.01 0.00 0.48 0.00 0.00 55.95 57.86 1dki s SER 109 Cb -0.11 -1.29 0.56 0.00 0.10 0.00 0.00 66.02 65.28 1dki s SER 109 CO 0.39 -3.02 1.95 0.78 0.98 0.00 0.00 173.24 174.32 1dki h ASN 110 N -1.82 0.84 -0.26 7.02 2.35 -1.98 -1.41 115.58 120.33 1dki h ASN 110 Ca -0.49 -0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.31 1dki h ASN 110 Cb 1.31 -0.19 -0.07 0.00 0.05 0.00 0.00 38.32 39.42 1dki h ASN 110 CO 0.52 0.58 -0.17 0.58 -1.65 0.00 0.00 177.43 177.29 1dki h VAL 111 N 0.98 0.51 -0.02 2.81 2.07 -1.98 0.30 116.25 120.93 1dki h VAL 111 Ca 0.32 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.61 1dki h VAL 111 Cb 0.06 0.51 0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1dki h VAL 111 CO -0.10 0.00 -0.94 1.56 0.02 0.00 0.00 177.57 178.11 1dki h GLN 112 N -0.15 0.52 -0.39 1.57 4.20 -1.71 -2.74 115.11 116.42 1dki h GLN 112 Ca 0.14 -0.54 -0.15 0.00 0.06 0.00 0.00 58.65 58.16 1dki h GLN 112 Cb 0.37 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1dki h GLN 112 CO -0.35 1.17 -0.36 0.87 -0.67 0.00 0.00 178.83 179.48 1dki h LYS 113 N 0.31 0.91 -0.74 1.46 1.57 -0.98 -2.74 116.57 116.35 1dki h LYS 113 Ca -0.09 -0.46 -0.06 0.00 -1.87 0.00 0.00 60.65 58.17 1dki h LYS 113 Cb 1.58 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.87 1dki h LYS 113 CO 0.17 1.12 0.24 1.98 -0.57 0.00 0.00 179.45 182.39 1dki h MET 114 N 0.75 1.15 -0.16 3.15 4.05 -0.46 -1.68 114.93 121.72 1dki h MET 114 Ca 0.07 -0.24 0.00 0.00 -0.28 0.00 0.00 59.70 59.25 1dki h MET 114 Cb 0.95 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.57 1dki h MET 114 CO 0.09 0.97 0.11 0.00 0.23 0.00 0.00 176.91 178.31 1dki h ALA 115 N 1.13 0.21 -0.14 0.39 0.00 -1.33 0.08 119.26 119.59 1dki h ALA 115 Ca 0.24 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 1dki h ALA 115 Cb 0.29 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1dki h ALA 115 CO -0.01 -0.30 -0.66 0.97 0.00 0.00 0.00 179.25 179.25 1dki h ILE 116 N 0.21 1.33 -0.09 0.00 6.09 -1.43 -2.54 117.51 121.08 1dki h ILE 116 Ca 0.06 -1.96 -0.13 0.00 -1.37 0.00 0.00 64.86 61.46 1dki h ILE 116 Cb -0.01 1.94 -0.01 0.00 0.47 0.00 0.00 36.82 39.21 1dki h ILE 116 CO -0.01 0.60 -0.51 0.77 -3.07 0.00 0.00 178.15 175.93 1dki h SER 117 N 0.40 0.26 -0.26 2.19 4.64 -1.16 -1.21 113.55 118.41 1dki h SER 117 Ca -0.02 -0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.11 1dki h SER 117 Cb 1.23 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1dki h SER 117 CO 0.12 0.73 -0.08 -0.08 -0.87 0.00 0.00 176.83 176.65 1dki h GLU 118 N 0.19 0.51 -0.14 4.77 4.81 -0.94 -1.14 114.58 122.64 1dki h GLU 118 Ca 0.01 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1dki h GLU 118 Cb 0.96 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 1dki h GLU 118 CO 0.08 0.74 0.07 1.25 -0.73 0.00 0.00 179.01 180.43 1dki h LEU 119 N 0.25 0.12 -1.16 1.64 5.85 -1.19 0.12 115.31 120.94 1dki h LEU 119 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1dki h LEU 119 Cb 0.57 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1dki h LEU 119 CO 0.03 0.09 0.54 0.24 -0.34 0.00 0.00 178.44 179.00 1dki h MET 120 N 0.16 1.10 -0.27 1.25 2.86 -1.15 -0.04 114.93 118.84 1dki h MET 120 Ca 0.06 -0.07 -0.19 0.00 -2.06 0.00 0.00 59.70 57.43 1dki h MET 120 Cb 0.00 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.42 1dki h MET 120 CO -0.03 0.74 -0.56 0.00 1.06 0.00 0.00 176.91 178.11 1dki h ALA 121 N 1.46 0.48 -0.34 6.32 0.00 -0.94 -1.39 119.26 124.85 1dki h ALA 121 Ca 0.30 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1dki h ALA 121 Cb -0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1dki h ALA 121 CO -0.06 0.68 0.05 -0.44 0.00 0.00 0.00 179.25 179.48 1dki h ASP 122 N 0.64 0.55 -0.30 0.00 3.32 -0.56 -1.83 116.42 118.24 1dki h ASP 122 Ca 0.01 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.77 1dki h ASP 122 Cb 1.17 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1dki h ASP 122 CO 0.12 0.68 0.12 0.58 -1.72 0.00 0.00 179.24 179.02 1dki h VAL 123 N 0.40 1.18 -0.67 -1.35 2.07 -1.02 -0.85 116.25 116.01 1dki h VAL 123 Ca 0.10 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.09 1dki h VAL 123 Cb 0.37 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1dki h VAL 123 CO 0.01 0.19 0.44 1.23 0.02 0.00 0.00 177.57 179.45 1dki h GLY 124 N 0.34 0.94 1.04 2.17 0.00 -1.23 -2.12 103.07 104.20 1dki h GLY 124 Ca 0.10 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1dki h GLY 124 CO -0.01 0.32 0.19 -2.22 0.00 0.00 0.00 176.54 174.83 1dki h ILE 125 N 0.88 1.26 0.00 2.60 2.04 -1.13 -2.10 117.51 121.05 1dki h ILE 125 Ca 0.25 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1dki h ILE 125 Cb -0.07 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1dki h ILE 125 CO -0.07 0.35 0.00 -1.54 0.00 0.00 0.00 178.15 176.90 1dki n SER 126 N -4.30 0.63 -0.96 1.72 3.41 -0.34 -1.26 113.62 112.52 1dki n SER 126 Ca 0.05 0.73 0.01 0.00 -0.26 0.00 0.00 58.87 59.40 1dki n SER 126 Cb 0.24 -0.84 0.21 0.00 -0.26 0.00 0.00 64.21 63.56 1dki n SER 126 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1dki n VAL 127 N -2.28 2.40 -3.94 -3.33 0.24 -0.91 -4.70 118.33 105.81 1dki n VAL 127 Ca -0.00 -2.45 -0.26 0.00 -2.04 0.00 0.00 64.34 59.59 1dki n VAL 127 Cb 0.11 -0.29 -0.02 0.00 -1.47 0.00 0.00 33.84 32.17 1dki n VAL 127 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1dki n ASP 128 N -0.96 -0.47 -4.72 -1.34 10.43 -0.39 -4.54 116.55 114.56 1dki n ASP 128 Ca 0.28 -1.01 -0.42 0.00 2.57 0.00 0.00 54.79 56.21 1dki n ASP 128 Cb 0.95 -3.05 -0.03 0.00 1.84 0.00 0.00 41.12 40.82 1dki n ASP 128 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 1dki s MET 129 N -6.54 4.19 -0.76 -1.24 1.75 -0.84 -4.77 119.30 111.09 1dki s MET 129 Ca 0.02 2.43 -0.18 0.00 -1.25 0.00 0.00 55.69 56.71 1dki s MET 129 Cb -0.01 -3.18 0.13 0.00 2.84 0.00 0.00 34.83 34.61 1dki s MET 129 CO 0.89 -0.66 0.90 0.34 -0.65 0.00 0.00 175.02 175.83 1dki s ASP 130 N 1.30 6.44 0.37 1.11 2.15 0.11 -4.93 116.67 123.22 1dki s ASP 130 Ca 0.72 -1.80 -0.27 0.00 0.43 0.00 0.00 52.55 51.63 1dki s ASP 130 Cb -0.45 -2.34 -0.09 0.00 -0.30 0.00 0.00 42.92 39.74 1dki s ASP 130 CO 0.32 -1.05 1.18 -0.31 -0.17 0.00 0.00 175.17 175.14 1dki s TYR 131 N 2.44 3.15 0.00 -5.34 1.51 -1.26 -1.78 117.35 116.07 1dki s TYR 131 Ca 0.21 1.55 0.00 0.00 -1.01 0.00 0.00 57.07 57.83 1dki s TYR 131 Cb -0.14 -3.42 0.00 0.00 -0.11 0.00 0.00 41.96 38.28 1dki s TYR 131 CO -0.01 -1.28 0.00 0.41 -1.11 0.00 0.00 175.55 173.56 1dki n GLY 132 N 0.75 0.82 0.36 0.71 0.00 -1.26 -4.84 105.19 101.73 1dki n GLY 132 Ca 0.03 -0.84 0.15 0.00 0.00 0.00 0.00 46.02 45.36 1dki n GLY 132 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1dki h PRO 133 N 0.00 0.16 -6.07 1.61 0.11 -1.95 -1.39 132.00 124.47 1dki h PRO 133 Ca 0.00 -0.01 -0.56 0.00 0.11 0.00 0.00 66.00 65.54 1dki h PRO 133 Cb 0.00 -0.04 -0.24 0.00 0.11 0.00 0.00 31.00 30.83 1dki h PRO 133 CO 0.00 0.11 -0.83 -1.54 -0.21 0.00 0.00 178.00 175.52 1dki s SER 134 N -6.32 2.45 -0.08 -2.05 1.04 -1.26 -4.20 113.70 103.28 1dki s SER 134 Ca -0.06 -0.58 0.03 0.00 0.48 0.00 0.00 55.95 55.82 1dki s SER 134 Cb 0.19 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.15 1dki s SER 134 CO 0.73 0.11 -0.17 -0.44 0.98 0.00 0.00 173.24 174.46 1dki s SER 135 N -1.46 2.24 0.13 7.02 0.01 -1.26 -4.78 113.70 115.61 1dki s SER 135 Ca 0.07 -0.39 0.10 0.00 1.31 0.00 0.00 55.95 57.03 1dki s SER 135 Cb -0.09 -1.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.08 1dki s SER 135 CO 0.03 0.08 -0.23 -0.83 0.41 0.00 0.00 173.24 172.70 1dki s GLY 136 N 0.52 1.44 0.04 3.44 0.00 -0.73 -4.26 107.32 107.77 1dki s GLY 136 Ca -0.16 -1.40 -0.04 0.00 0.00 0.00 0.00 44.72 43.12 1dki s GLY 136 CO 0.05 -1.41 0.06 -0.45 0.00 0.00 0.00 173.10 171.36 1dki s SER 137 N -2.14 0.22 0.56 1.64 0.15 -1.25 0.09 113.70 112.97 1dki s SER 137 Ca 0.12 -0.58 0.28 0.00 0.70 0.00 0.00 55.95 56.48 1dki s SER 137 Cb -0.09 0.20 1.67 0.00 -1.71 0.00 0.00 66.02 66.09 1dki s SER 137 CO 0.06 -0.48 2.18 0.00 1.20 0.00 0.00 173.24 176.20 1dki h ALA 138 N 3.77 1.44 0.00 5.45 0.00 -1.87 0.39 119.26 128.45 1dki h ALA 138 Ca -0.33 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1dki h ALA 138 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1dki h ALA 138 CO 0.51 0.06 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1dki n GLY 139 N -1.08 1.27 0.25 0.00 0.00 -1.26 -3.65 105.19 100.73 1dki n GLY 139 Ca -0.03 -0.83 -0.00 0.00 0.00 0.00 0.00 46.02 45.16 1dki n GLY 139 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1dki n SER 140 N 4.91 -0.42 -0.30 1.61 7.64 -1.26 -0.24 113.62 125.55 1dki n SER 140 Ca 0.00 1.16 0.01 0.00 1.01 0.00 0.00 58.87 61.05 1dki n SER 140 Cb 0.00 -0.27 0.20 0.00 -1.01 0.00 0.00 64.21 63.14 1dki n SER 140 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1dki h SER 141 N 0.00 0.97 0.03 6.43 4.64 -1.97 -0.84 113.55 122.82 1dki h SER 141 Ca 0.23 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.33 1dki h SER 141 Cb 0.40 -0.22 0.02 0.00 -0.31 0.00 0.00 62.40 62.29 1dki h SER 141 CO -0.66 0.67 -0.87 0.03 -0.87 0.00 0.00 176.83 175.13 1dki h ARG 142 N 1.12 0.53 -0.23 4.77 2.47 -0.95 -3.22 114.38 118.87 1dki h ARG 142 Ca 0.36 -0.61 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1dki h ARG 142 Cb 0.02 0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 1dki h ARG 142 CO -0.11 1.24 0.15 0.28 0.56 0.00 0.00 179.97 182.09 1dki h VAL 143 N 0.09 1.07 -0.60 2.04 2.07 -0.58 -0.16 116.25 120.17 1dki h VAL 143 Ca -0.12 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1dki h VAL 143 Cb 1.57 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 1dki h VAL 143 CO 0.17 0.07 0.10 0.06 0.02 0.00 0.00 177.57 177.99 1dki h GLN 144 N 0.30 0.96 -0.28 1.57 -0.00 -1.28 -0.88 115.11 115.50 1dki h GLN 144 Ca 0.08 -0.24 -0.09 0.00 -0.00 0.00 0.00 58.65 58.41 1dki h GLN 144 Cb -0.02 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.48 27.33 1dki h GLN 144 CO -0.02 0.89 -0.17 -0.09 -0.00 0.00 0.00 178.83 179.44 1dki h ARG 145 N 0.91 0.61 -0.55 0.06 2.43 -1.53 -2.90 114.38 113.42 1dki h ARG 145 Ca 0.19 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1dki h ARG 145 Cb 0.39 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1dki h ARG 145 CO 0.01 0.87 0.19 0.00 -1.51 0.00 0.00 179.97 179.53 1dki h ALA 146 N 0.73 0.71 -0.96 2.80 0.00 -0.82 0.16 119.26 121.89 1dki h ALA 146 Ca 0.06 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1dki h ALA 146 Cb 0.71 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1dki h ALA 146 CO 0.05 0.36 0.63 -0.07 0.00 0.00 0.00 179.25 180.22 1dki h LEU 147 N 0.75 1.07 0.00 0.00 3.38 -1.14 0.01 115.31 119.37 1dki h LEU 147 Ca 0.18 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1dki h LEU 147 Cb 0.25 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1dki h LEU 147 CO -0.01 0.75 -0.05 0.11 0.09 0.00 0.00 178.44 179.33 1dki h LYS 148 N 1.25 0.00 -0.38 1.13 1.57 -1.30 0.75 116.57 119.59 1dki h LYS 148 Ca 0.37 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.08 1dki h LYS 148 Cb -0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1dki h LYS 148 CO -0.10 0.41 -0.03 0.93 -0.57 0.00 0.00 179.45 180.09 1dki h GLU 149 N -1.00 0.68 0.04 3.15 4.39 -0.69 -2.46 114.58 118.69 1dki h GLU 149 Ca -0.01 -0.23 -0.35 0.00 0.34 0.00 0.00 59.36 59.11 1dki h GLU 149 Cb 0.43 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.98 1dki h GLU 149 CO -0.01 0.80 -2.10 0.09 -1.16 0.00 0.00 179.01 176.64 1dki n ASN 150 N -4.44 1.37 -0.49 1.42 3.02 -0.10 -3.92 115.26 112.12 1dki n ASN 150 Ca -0.01 0.15 0.07 0.00 -0.03 0.00 0.00 54.58 54.76 1dki n ASN 150 Cb 0.30 -0.21 0.04 0.00 -0.61 0.00 0.00 39.78 39.30 1dki n ASN 150 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1dki n PHE 151 N -3.18 0.00 -1.49 3.10 3.01 -0.69 -0.66 117.46 117.55 1dki n PHE 151 Ca -0.31 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.08 1dki n PHE 151 Cb 1.06 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.50 1dki n PHE 151 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dki n GLY 152 N 0.89 0.68 3.76 1.37 0.00 -0.85 -4.27 105.19 106.76 1dki n GLY 152 Ca 0.08 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 1dki n GLY 152 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dki s TYR 153 N -2.29 2.51 0.52 1.61 1.51 0.20 -4.94 117.35 116.47 1dki s TYR 153 Ca 0.00 1.12 -0.23 0.00 -1.01 0.00 0.00 57.07 56.95 1dki s TYR 153 Cb 0.00 -3.19 -0.06 0.00 -0.11 0.00 0.00 41.96 38.60 1dki s TYR 153 CO 0.00 -2.22 1.39 -1.71 -1.11 0.00 0.00 175.55 171.90 1dki n ASN 154 N -3.73 2.91 0.05 2.29 2.85 0.01 -4.55 115.26 115.08 1dki n ASN 154 Ca 0.07 1.02 0.03 0.00 -0.11 0.00 0.00 54.58 55.58 1dki n ASN 154 Cb 0.56 -1.59 0.15 0.00 1.24 0.00 0.00 39.78 40.15 1dki n ASN 154 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1dki n GLN 155 N -0.80 0.04 0.28 1.20 1.13 -1.26 -0.99 117.38 116.98 1dki n GLN 155 Ca 0.09 0.51 0.16 0.00 -1.94 0.00 0.00 57.00 55.82 1dki n GLN 155 Cb 0.44 -1.66 0.80 0.00 0.11 0.00 0.00 30.24 29.93 1dki n GLN 155 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1dki h SER 156 N 0.00 0.00 -2.69 1.08 4.64 -1.89 -3.43 113.55 111.26 1dki h SER 156 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1dki h SER 156 Cb 0.07 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.21 1dki h SER 156 CO 0.00 0.07 0.99 -0.69 -0.87 0.00 0.00 176.83 176.33 1dki s VAL 157 N -3.99 2.35 0.05 0.95 1.01 -0.16 -4.39 120.40 116.23 1dki s VAL 157 Ca -0.02 0.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 1dki s VAL 157 Cb 0.12 -3.11 0.08 0.00 0.00 0.00 0.00 36.38 33.47 1dki s VAL 157 CO 0.54 0.01 0.71 -1.38 0.00 0.00 0.00 175.10 174.98 1dki s HIS 158 N 1.57 -0.51 0.14 5.22 -3.43 -0.81 -4.99 115.29 112.47 1dki s HIS 158 Ca 0.75 0.51 -0.24 0.00 -0.80 0.00 0.00 55.06 55.28 1dki s HIS 158 Cb -0.47 0.51 -0.08 0.00 -1.43 0.00 0.00 32.58 31.12 1dki s HIS 158 CO 0.33 -0.69 0.72 -1.14 -2.00 0.00 0.00 174.74 171.96 1dki s GLN 159 N -2.82 4.48 -0.03 -0.38 0.74 -1.26 -1.71 119.66 118.68 1dki s GLN 159 Ca -0.01 1.05 0.04 0.00 0.05 0.00 0.00 55.36 56.49 1dki s GLN 159 Cb -0.01 -3.26 -0.00 0.00 1.10 0.00 0.00 33.01 30.84 1dki s GLN 159 CO -0.06 0.58 -0.15 0.96 -0.55 0.00 0.00 175.29 176.08 1dki s ILE 160 N -1.10 1.21 -0.13 -2.34 -4.36 0.10 -4.98 121.20 109.61 1dki s ILE 160 Ca 0.34 -0.61 -0.07 0.00 -0.26 0.00 0.00 60.65 60.05 1dki s ILE 160 Cb -0.22 -1.04 -0.04 0.00 1.25 0.00 0.00 42.46 42.40 1dki s ILE 160 CO 0.24 0.35 0.12 0.20 0.24 0.00 0.00 174.94 176.10 1dki s ASN 161 N -0.01 6.21 0.29 4.36 0.01 -1.26 -1.19 114.94 123.34 1dki s ASN 161 Ca -0.01 0.39 0.01 0.00 -0.71 0.00 0.00 52.86 52.53 1dki s ASN 161 Cb -0.10 -2.00 0.52 0.00 0.41 0.00 0.00 41.25 40.09 1dki s ASN 161 CO 0.01 0.37 1.86 -0.09 -1.51 0.00 0.00 177.10 177.75 1dki h ARG 162 N 5.27 1.01 0.00 -0.60 9.65 -1.61 -1.90 114.38 126.20 1dki h ARG 162 Ca -0.52 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.30 1dki h ARG 162 Cb 1.21 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 1dki h ARG 162 CO 0.60 0.67 0.00 0.41 2.80 0.00 0.00 179.97 184.45 1dki n GLY 163 N -1.37 -0.89 0.79 2.80 0.00 -1.26 -2.22 105.19 103.05 1dki n GLY 163 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1dki n GLY 163 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dki n ASP 164 N -1.66 2.49 -4.26 1.61 8.00 -0.71 -4.94 116.55 117.07 1dki n ASP 164 Ca 0.02 -1.82 -0.21 0.00 0.71 0.00 0.00 54.79 53.49 1dki n ASP 164 Cb 0.12 0.02 -0.12 0.00 -0.02 0.00 0.00 41.12 41.12 1dki n ASP 164 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1dki s PHE 165 N -2.03 1.59 0.57 1.24 0.40 -0.94 -5.05 117.98 113.76 1dki s PHE 165 Ca 0.31 -0.47 -0.12 0.00 -0.60 0.00 0.00 56.93 56.05 1dki s PHE 165 Cb 0.20 -0.85 -0.05 0.00 0.51 0.00 0.00 43.02 42.83 1dki s PHE 165 CO 0.32 0.19 0.99 -1.54 0.70 0.00 0.00 175.22 175.88 1dki s SER 166 N -2.14 6.37 0.24 1.36 1.04 -1.26 -4.81 113.70 114.50 1dki s SER 166 Ca 0.07 1.42 -0.05 0.00 0.48 0.00 0.00 55.95 57.87 1dki s SER 166 Cb -0.08 -2.46 0.42 0.00 0.10 0.00 0.00 66.02 64.00 1dki s SER 166 CO 0.04 -0.74 1.73 0.07 0.98 0.00 0.00 173.24 175.32 1dki h LYS 167 N 0.19 0.42 -0.52 4.02 -0.00 -1.99 0.87 116.57 119.56 1dki h LYS 167 Ca -0.45 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.65 60.15 1dki h LYS 167 Cb 1.19 -0.09 -0.02 0.00 -0.00 0.00 0.00 32.23 33.30 1dki h LYS 167 CO 0.62 0.28 0.23 -0.56 -0.00 0.00 0.00 179.45 180.01 1dki h GLN 168 N 0.43 0.76 -0.47 0.07 -0.00 -1.99 -1.47 115.11 112.45 1dki h GLN 168 Ca 0.39 -0.13 -0.11 0.00 -0.00 0.00 0.00 58.65 58.80 1dki h GLN 168 Cb 0.57 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.48 27.91 1dki h GLN 168 CO -0.39 0.66 -0.16 -0.44 -0.00 0.00 0.00 178.83 178.50 1dki h ASP 169 N 0.70 0.92 0.50 0.06 3.32 -1.76 -0.79 116.42 119.37 1dki h ASP 169 Ca 0.18 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1dki h ASP 169 Cb 0.16 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1dki h ASP 169 CO -0.02 1.07 -0.24 -0.25 -1.72 0.00 0.00 179.24 178.08 1dki h TRP 170 N 0.80 -0.62 -0.13 4.55 2.91 -0.56 -1.27 115.95 121.64 1dki h TRP 170 Ca 0.12 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.07 1dki h TRP 170 Cb 0.70 0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.55 1dki h TRP 170 CO 0.04 -0.35 -0.18 0.93 -1.03 0.00 0.00 178.44 177.85 1dki h GLU 171 N -0.74 0.21 -0.09 2.65 5.08 -1.30 -1.62 114.58 118.78 1dki h GLU 171 Ca -0.07 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 1dki h GLU 171 Cb 0.55 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1dki h GLU 171 CO 0.11 0.40 -0.30 0.00 -1.00 0.00 0.00 179.01 178.22 1dki h ALA 172 N 1.62 1.34 0.14 3.43 0.00 -0.88 0.18 119.26 125.09 1dki h ALA 172 Ca 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1dki h ALA 172 Cb 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1dki h ALA 172 CO 0.03 0.46 -0.07 1.96 0.00 0.00 0.00 179.25 181.63 1dki h GLN 173 N 0.14 -0.18 -0.40 0.00 1.08 -0.27 -1.31 115.11 114.17 1dki h GLN 173 Ca 0.02 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1dki h GLN 173 Cb 0.61 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.05 1dki h GLN 173 CO 0.04 0.11 0.25 0.82 -0.95 0.00 0.00 178.83 179.10 1dki h ILE 174 N -0.47 1.06 -0.71 2.54 2.04 -1.14 -2.09 117.51 118.74 1dki h ILE 174 Ca -0.02 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1dki h ILE 174 Cb 0.37 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1dki h ILE 174 CO 0.03 0.09 0.43 0.44 0.00 0.00 0.00 178.15 179.14 1dki h ASP 175 N 0.50 0.84 -0.61 1.72 3.32 -0.59 -1.59 116.42 120.02 1dki h ASP 175 Ca 0.16 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 1dki h ASP 175 Cb -0.02 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1dki h ASP 175 CO -0.06 0.65 0.00 0.50 -1.72 0.00 0.00 179.24 178.61 1dki h LYS 176 N 0.98 1.08 0.36 3.56 3.64 -0.70 0.17 116.57 125.64 1dki h LYS 176 Ca 0.26 -0.34 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1dki h LYS 176 Cb -0.05 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1dki h LYS 176 CO -0.05 1.05 -0.17 0.93 -2.27 0.00 0.00 179.45 178.94 1dki h GLU 177 N 0.98 -0.46 -0.67 1.90 4.39 -0.86 -1.92 114.58 117.94 1dki h GLU 177 Ca 0.17 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 1dki h GLU 177 Cb 0.56 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 1dki h GLU 177 CO 0.03 -0.27 0.37 -0.07 -1.16 0.00 0.00 179.01 177.91 1dki h LEU 178 N -0.54 0.81 -2.12 1.33 3.38 -1.22 0.24 115.31 117.19 1dki h LEU 178 Ca -0.05 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1dki h LEU 178 Cb 0.40 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1dki h LEU 178 CO 0.08 0.65 0.00 0.77 0.09 0.00 0.00 178.44 180.03 1dki h SER 179 N 0.92 0.00 -0.54 -0.43 4.64 -0.38 -1.27 113.55 116.49 1dki h SER 179 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1dki h SER 179 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1dki h SER 179 CO -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.92 1dki n GLN 180 N -3.05 3.62 -3.53 4.77 6.02 -0.08 -4.95 117.38 120.18 1dki n GLN 180 Ca -0.01 -2.81 -0.20 0.00 -0.01 0.00 0.00 57.00 53.97 1dki n GLN 180 Cb 0.20 -1.85 0.08 0.00 1.02 0.00 0.00 30.24 29.68 1dki n GLN 180 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1dki n ASN 181 N 0.73 -2.91 -3.76 1.08 3.02 -0.48 -4.99 115.26 107.95 1dki n ASN 181 Ca 0.24 -0.65 -0.30 0.00 -0.03 0.00 0.00 54.58 53.84 1dki n ASN 181 Cb 0.87 -4.87 -0.14 0.00 -0.61 0.00 0.00 39.78 35.03 1dki n ASN 181 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1dki s GLN 182 N -5.72 1.10 0.64 3.52 -0.21 -0.30 -5.01 119.66 113.68 1dki s GLN 182 Ca 0.15 -1.64 -0.17 0.00 0.02 0.00 0.00 55.36 53.72 1dki s GLN 182 Cb -0.07 -2.32 -0.05 0.00 1.00 0.00 0.00 33.01 31.57 1dki s GLN 182 CO 0.75 -1.07 0.72 -2.30 -2.12 0.00 0.00 175.29 171.27 1dki n PRO 183 N 4.12 0.57 -4.68 2.91 -0.02 -1.26 -3.90 135.00 132.74 1dki n PRO 183 Ca 0.04 0.23 -0.33 0.00 -2.02 0.00 0.00 63.50 61.42 1dki n PRO 183 Cb 0.38 -1.94 -0.13 0.00 -0.02 0.00 0.00 33.50 31.79 1dki n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1dki s VAL 184 N -1.72 3.38 0.05 -1.45 1.01 0.30 -4.78 120.40 117.19 1dki s VAL 184 Ca 0.71 -0.56 -0.28 0.00 0.00 0.00 0.00 61.98 61.85 1dki s VAL 184 Cb -0.40 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 1dki s VAL 184 CO 0.52 0.54 0.88 -0.47 0.00 0.00 0.00 175.10 176.57 1dki s TYR 185 N -0.03 3.73 0.04 5.22 5.04 -1.05 -0.84 117.35 129.46 1dki s TYR 185 Ca -0.02 1.62 0.02 0.00 -2.44 0.00 0.00 57.07 56.25 1dki s TYR 185 Cb -0.14 -2.97 -0.02 0.00 0.35 0.00 0.00 41.96 39.18 1dki s TYR 185 CO 0.03 0.17 -0.06 -0.47 -1.34 0.00 0.00 175.55 173.88 1dki s TYR 186 N 0.29 0.55 0.08 4.97 5.04 -0.61 -1.06 117.35 126.61 1dki s TYR 186 Ca 0.44 -0.52 -0.23 0.00 -2.44 0.00 0.00 57.07 54.33 1dki s TYR 186 Cb -0.21 -0.34 0.06 0.00 0.35 0.00 0.00 41.96 41.81 1dki s TYR 186 CO 0.26 -0.12 0.54 1.14 -1.34 0.00 0.00 175.55 176.03 1dki s GLN 187 N -1.59 1.11 0.37 4.97 -2.07 -0.39 -1.19 119.66 120.87 1dki s GLN 187 Ca -0.11 -0.32 0.08 0.00 -1.82 0.00 0.00 55.36 53.19 1dki s GLN 187 Cb -0.10 0.51 -0.05 0.00 -1.09 0.00 0.00 33.01 32.28 1dki s GLN 187 CO -0.00 -0.43 0.11 0.20 -1.32 0.00 0.00 175.29 173.85 1dki s GLY 188 N -2.23 2.13 -0.08 2.60 0.00 -0.88 -1.85 107.32 107.01 1dki s GLY 188 Ca -0.03 -1.98 0.02 0.00 0.00 0.00 0.00 44.72 42.73 1dki s GLY 188 CO -0.05 -1.87 -0.14 0.14 0.00 0.00 0.00 173.10 171.18 1dki s VAL 189 N -2.52 3.02 0.50 1.40 1.01 -1.26 -0.46 120.40 122.08 1dki s VAL 189 Ca 0.38 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1dki s VAL 189 Cb 0.01 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1dki s VAL 189 CO 0.21 0.56 0.03 -0.83 0.00 0.00 0.00 175.10 175.08 1dki s GLY 190 N -0.28 2.99 0.54 4.51 0.00 0.38 -4.88 107.32 110.58 1dki s GLY 190 Ca 0.02 -0.42 0.35 0.00 0.00 0.00 0.00 44.72 44.67 1dki s GLY 190 CO 0.03 -2.12 2.06 0.07 0.00 0.00 0.00 173.10 173.14 1dki h LYS 191 N 1.41 0.00 -0.42 2.90 2.10 -2.02 -2.24 116.57 118.30 1dki h LYS 191 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1dki h LYS 191 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1dki h LYS 191 CO 0.69 0.00 0.00 1.33 -2.00 0.00 0.00 179.45 179.47 1dki n VAL 192 N -2.90 0.61 0.00 0.07 0.24 -1.26 -5.08 118.33 110.01 1dki n VAL 192 Ca -0.01 -0.80 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 1dki n VAL 192 Cb 0.18 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 1dki n VAL 192 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dki n GLY 193 N 1.37 0.53 3.74 7.63 0.00 -0.84 -3.96 105.19 113.66 1dki n GLY 193 Ca 0.19 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 1dki n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dki s GLY 194 N 0.00 2.78 -0.56 -0.02 0.00 0.14 -0.47 107.32 109.18 1dki s GLY 194 Ca 0.00 0.90 -0.05 0.00 0.00 0.00 0.00 44.72 45.57 1dki s GLY 194 CO 0.00 1.75 0.40 0.30 0.00 0.00 0.00 173.10 175.56 1dki s HIS 195 N -0.23 3.49 0.42 1.90 3.76 0.39 -4.61 115.29 120.41 1dki s HIS 195 Ca 0.51 -2.38 0.01 0.00 -0.15 0.00 0.00 55.06 53.05 1dki s HIS 195 Cb -0.31 -3.34 -0.01 0.00 1.11 0.00 0.00 32.58 30.03 1dki s HIS 195 CO 0.37 -0.92 0.62 0.00 -0.85 0.00 0.00 174.74 173.96 1dki s ALA 196 N 0.55 3.80 0.22 -1.40 0.00 -1.26 -2.08 121.76 121.60 1dki s ALA 196 Ca 0.13 -1.08 -0.22 0.00 0.00 0.00 0.00 51.96 50.78 1dki s ALA 196 Cb -0.21 -2.08 0.06 0.00 0.00 0.00 0.00 23.12 20.89 1dki s ALA 196 CO -0.04 -0.27 0.91 -0.59 0.00 0.00 0.00 175.76 175.78 1dki s PHE 197 N -2.46 -0.04 -0.13 0.00 -0.12 -0.33 -4.73 117.98 110.16 1dki s PHE 197 Ca 0.46 -0.38 -0.01 0.00 -0.05 0.00 0.00 56.93 56.95 1dki s PHE 197 Cb -0.10 0.70 -0.02 0.00 -0.63 0.00 0.00 43.02 42.98 1dki s PHE 197 CO 0.37 -1.05 -0.11 0.08 -0.05 0.00 0.00 175.22 174.45 1dki s VAL 198 N -2.92 3.26 -0.27 -2.49 1.01 -0.52 -1.57 120.40 116.90 1dki s VAL 198 Ca 0.15 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 1dki s VAL 198 Cb -0.03 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 1dki s VAL 198 CO 0.05 0.52 0.18 -0.63 0.00 0.00 0.00 175.10 175.22 1dki s ILE 199 N 0.28 5.21 -0.00 2.22 1.01 -0.02 -1.37 121.20 128.53 1dki s ILE 199 Ca -0.08 0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.71 1dki s ILE 199 Cb -0.15 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 38.85 1dki s ILE 199 CO 0.05 0.27 0.69 -0.90 0.00 0.00 0.00 174.94 175.05 1dki n ASP 200 N 4.99 0.60 -3.58 3.58 5.75 -0.94 -0.54 116.55 126.41 1dki n ASP 200 Ca -0.14 -1.42 -0.06 0.00 -0.01 0.00 0.00 54.79 53.16 1dki n ASP 200 Cb 0.52 -0.03 -0.01 0.00 -1.03 0.00 0.00 41.12 40.57 1dki n ASP 200 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1dki s GLY 201 N -0.45 0.01 -0.18 6.12 0.00 -1.24 -0.86 107.32 110.72 1dki s GLY 201 Ca 0.01 -0.33 -0.16 0.00 0.00 0.00 0.00 44.72 44.24 1dki s GLY 201 CO 0.00 0.07 0.47 0.00 0.00 0.00 0.00 173.10 173.63 1dki s ALA 202 N -3.27 -1.16 -0.33 3.20 0.00 -0.40 -0.50 121.76 119.30 1dki s ALA 202 Ca 0.13 1.33 0.23 0.00 0.00 0.00 0.00 51.96 53.65 1dki s ALA 202 Cb -0.05 -0.77 0.05 0.00 0.00 0.00 0.00 23.12 22.36 1dki s ALA 202 CO 0.07 -0.22 1.08 -0.40 0.00 0.00 0.00 175.76 176.29 1dki n ASP 203 N 2.87 0.80 0.00 0.00 5.75 -0.82 -1.30 116.55 123.85 1dki n ASP 203 Ca -0.14 0.25 0.00 0.00 -0.01 0.00 0.00 54.79 54.90 1dki n ASP 203 Cb 0.57 0.44 0.00 0.00 -1.03 0.00 0.00 41.12 41.10 1dki n ASP 203 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dki n GLY 204 N 1.22 1.82 1.82 6.12 0.00 -1.24 -4.77 105.19 110.16 1dki n GLY 204 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1dki n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dki n ARG 205 N -1.61 2.44 -1.02 1.61 1.74 -1.26 -4.79 116.66 113.77 1dki n ARG 205 Ca 0.00 -3.07 -0.01 0.00 -0.77 0.00 0.00 57.85 54.00 1dki n ARG 205 Cb 0.00 -2.07 -0.00 0.00 -1.02 0.00 0.00 32.46 29.37 1dki n ARG 205 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1dki n ASN 206 N -0.93 -3.52 -4.85 0.55 4.13 -1.26 -5.03 115.26 104.35 1dki n ASN 206 Ca 0.47 0.02 -0.37 0.00 1.68 0.00 0.00 54.58 56.38 1dki n ASN 206 Cb 1.40 -1.08 -0.06 0.00 -1.54 0.00 0.00 39.78 38.50 1dki n ASN 206 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1dki s PHE 207 N -1.88 3.58 -0.06 3.10 0.40 -1.26 -4.51 117.98 117.34 1dki s PHE 207 Ca 0.00 0.53 0.03 0.00 -0.60 0.00 0.00 56.93 56.89 1dki s PHE 207 Cb 0.00 -2.00 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 1dki s PHE 207 CO 0.00 0.66 -0.14 0.71 0.70 0.00 0.00 175.22 177.16 1dki s TYR 208 N -0.82 2.73 0.20 0.36 1.51 0.79 -1.95 117.35 120.18 1dki s TYR 208 Ca 0.15 -0.20 -0.30 0.00 -1.01 0.00 0.00 57.07 55.71 1dki s TYR 208 Cb -0.12 -1.66 -0.08 0.00 -0.11 0.00 0.00 41.96 39.98 1dki s TYR 208 CO 0.04 0.15 1.13 -1.58 -1.11 0.00 0.00 175.55 174.18 1dki s HIS 209 N -0.60 3.53 -0.02 2.71 2.46 0.35 -0.66 115.29 123.05 1dki s HIS 209 Ca 0.09 1.56 0.04 0.00 0.47 0.00 0.00 55.06 57.22 1dki s HIS 209 Cb -0.11 -3.33 -0.01 0.00 -0.13 0.00 0.00 32.58 29.00 1dki s HIS 209 CO 0.01 -0.80 -0.14 0.08 -2.47 0.00 0.00 174.74 171.43 1dki s VAL 210 N -0.33 1.13 -0.28 0.89 1.01 0.97 -2.21 120.40 121.58 1dki s VAL 210 Ca 0.50 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 1dki s VAL 210 Cb -0.31 -0.96 0.05 0.00 0.00 0.00 0.00 36.38 35.15 1dki s VAL 210 CO 0.37 0.33 -0.03 0.21 0.00 0.00 0.00 175.10 175.97 1dki s ASN 211 N -0.12 4.67 0.00 3.32 3.84 -0.47 -2.55 114.94 123.63 1dki s ASN 211 Ca 0.01 -1.19 0.30 0.00 0.21 0.00 0.00 52.86 52.19 1dki s ASN 211 Cb -0.08 -1.67 1.48 0.00 -0.55 0.00 0.00 41.25 40.43 1dki s ASN 211 CO 0.00 -0.21 2.03 0.79 -2.79 0.00 0.00 177.10 176.91 1dki n TRP 212 N 4.61 0.00 -2.05 0.43 7.02 -1.26 -1.44 117.44 124.74 1dki n TRP 212 Ca -0.14 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.28 1dki n TRP 212 Cb 0.44 -0.26 -0.00 0.00 -2.42 0.00 0.00 31.31 29.07 1dki n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1dki n GLY 213 N 1.28 0.17 1.06 6.99 0.00 -1.26 -4.85 105.19 108.57 1dki n GLY 213 Ca 0.15 -0.64 -0.04 0.00 0.00 0.00 0.00 46.02 45.49 1dki n GLY 213 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1dki n TRP 214 N -3.92 0.89 -0.24 1.61 7.02 -1.23 -3.90 117.44 117.66 1dki n TRP 214 Ca -0.07 -1.73 0.00 0.00 -1.02 0.00 0.00 57.50 54.68 1dki n TRP 214 Cb 0.53 -0.31 0.00 0.00 -2.42 0.00 0.00 31.31 29.12 1dki n TRP 214 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1dki n GLY 215 N -1.00 1.96 0.00 6.99 0.00 -0.37 -3.98 105.19 108.78 1dki n GLY 215 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1dki n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dki n GLY 216 N -2.00 2.89 3.66 -0.02 0.00 -1.26 -4.88 105.19 103.58 1dki n GLY 216 Ca 0.00 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1dki n GLY 216 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1dki n VAL 217 N 0.00 2.37 -0.56 1.61 3.14 -1.26 -2.09 118.33 121.55 1dki n VAL 217 Ca 0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1dki n VAL 217 Cb 0.00 -1.37 0.00 0.00 -1.06 0.00 0.00 33.84 31.41 1dki n VAL 217 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1dki n SER 218 N 0.51 0.00 -4.76 6.55 7.64 -0.10 -4.74 113.62 118.72 1dki n SER 218 Ca 0.07 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.60 1dki n SER 218 Cb 0.38 -1.35 0.02 0.00 -1.01 0.00 0.00 64.21 62.25 1dki n SER 218 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1dki s ASP 219 N -2.50 5.37 0.00 6.43 1.11 -0.89 -4.92 116.67 121.27 1dki s ASP 219 Ca 0.00 2.32 0.00 0.00 0.18 0.00 0.00 52.55 55.05 1dki s ASP 219 Cb 0.00 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.40 1dki s ASP 219 CO 0.00 -1.47 0.00 0.61 1.18 0.00 0.00 175.17 175.49 1dki n GLY 220 N 0.40 -0.50 3.76 0.21 0.00 -1.06 -4.86 105.19 103.15 1dki n GLY 220 Ca 0.13 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 1dki n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dki s PHE 221 N -3.10 3.47 0.04 1.61 0.40 0.14 -0.02 117.98 120.52 1dki s PHE 221 Ca 0.00 0.44 0.01 0.00 -0.60 0.00 0.00 56.93 56.78 1dki s PHE 221 Cb 0.00 -2.15 -0.03 0.00 0.51 0.00 0.00 43.02 41.35 1dki s PHE 221 CO 0.00 0.38 -0.05 -0.06 0.70 0.00 0.00 175.22 176.19 1dki s PHE 222 N 0.05 0.55 0.27 0.36 0.40 0.16 -0.62 117.98 119.15 1dki s PHE 222 Ca 0.11 -0.65 -0.23 0.00 -0.60 0.00 0.00 56.93 55.57 1dki s PHE 222 Cb -0.12 -0.35 -0.09 0.00 0.51 0.00 0.00 43.02 42.97 1dki s PHE 222 CO 0.01 -0.17 0.83 1.03 0.70 0.00 0.00 175.22 177.62 1dki s ARG 223 N -2.18 4.42 0.52 0.44 0.52 -0.76 -0.15 118.95 121.77 1dki s ARG 223 Ca -0.07 1.10 0.20 0.00 -0.52 0.00 0.00 55.73 56.45 1dki s ARG 223 Cb -0.05 -2.86 1.36 0.00 0.52 0.00 0.00 34.95 33.92 1dki s ARG 223 CO -0.02 0.35 2.13 -0.07 0.02 0.00 0.00 175.30 177.71 1dki h LEU 224 N 3.34 0.00 -7.52 2.53 3.38 -1.93 -3.44 115.31 111.67 1dki h LEU 224 Ca -0.47 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1dki h LEU 224 Cb 1.19 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.84 1dki h LEU 224 CO 0.65 0.05 0.08 -1.81 0.09 0.00 0.00 178.44 177.51 1dki s ASP 225 N -6.75 -0.33 -0.50 -0.43 1.01 -1.26 -5.05 116.67 103.35 1dki s ASP 225 Ca -0.05 -0.36 0.03 0.00 0.71 0.00 0.00 52.55 52.88 1dki s ASP 225 Cb 0.16 0.59 0.42 0.00 1.01 0.00 0.00 42.92 45.10 1dki s ASP 225 CO 0.64 -1.04 1.45 0.00 0.21 0.00 0.00 175.17 176.42 1dki n ALA 226 N -0.35 5.52 -2.00 5.23 0.00 -1.26 -5.02 120.51 122.63 1dki n ALA 226 Ca -0.12 -3.99 0.00 0.00 0.00 0.00 0.00 53.44 49.33 1dki n ALA 226 Cb 0.63 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1dki n ALA 226 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1dki n LEU 227 N -0.63 0.00 -1.83 0.00 -0.00 -1.26 -4.20 117.00 109.07 1dki n LEU 227 Ca 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.47 1dki n LEU 227 Cb 0.68 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.08 1dki n LEU 227 CO 0.46 0.00 0.61 0.00 -0.00 0.00 0.00 177.39 178.46 1dki n TYR 244 N 0.00 0.00 -1.95 1.47 -0.00 -1.26 -4.76 117.16 110.66 1dki n TYR 244 Ca 0.00 -0.55 -0.39 0.00 -0.00 0.00 0.00 57.90 56.96 1dki n TYR 244 Cb 0.00 -0.49 0.01 0.00 -0.00 0.00 0.00 39.34 38.86 1dki n TYR 244 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1dki s GLN 245 N 1.16 3.58 0.26 -3.48 -0.21 -1.26 -4.38 119.66 115.33 1dki s GLN 245 Ca 0.06 2.15 -0.09 0.00 0.02 0.00 0.00 55.36 57.50 1dki s GLN 245 Cb 0.03 -2.49 -0.01 0.00 1.00 0.00 0.00 33.01 31.54 1dki s GLN 245 CO 0.00 -0.81 0.42 -1.54 -2.12 0.00 0.00 175.29 171.24 1dki s SER 246 N -0.90 0.11 0.12 5.90 1.04 -0.77 -1.45 113.70 117.75 1dki s SER 246 Ca 0.64 -1.10 -0.11 0.00 0.48 0.00 0.00 55.95 55.86 1dki s SER 246 Cb -0.38 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.31 1dki s SER 246 CO 0.47 -1.12 0.28 0.00 0.98 0.00 0.00 173.24 173.85 1dki s ALA 247 N -3.87 -0.36 -0.16 5.32 0.00 -0.33 -1.26 121.76 121.09 1dki s ALA 247 Ca 0.27 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.70 1dki s ALA 247 Cb 0.01 0.65 0.02 0.00 0.00 0.00 0.00 23.12 23.79 1dki s ALA 247 CO 0.11 -0.59 -0.20 0.08 0.00 0.00 0.00 175.76 175.16 1dki s VAL 248 N -3.88 2.00 0.48 0.00 1.01 -0.22 -0.72 120.40 119.07 1dki s VAL 248 Ca 0.08 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.16 1dki s VAL 248 Cb 0.03 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1dki s VAL 248 CO -0.08 0.53 0.03 0.68 0.00 0.00 0.00 175.10 176.27 1dki s VAL 249 N 1.12 1.08 -0.80 2.92 -7.23 -0.69 -2.51 120.40 114.29 1dki s VAL 249 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1dki s VAL 249 Cb -0.14 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.55 1dki s VAL 249 CO -0.08 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 1dki n GLY 250 N -1.17 0.54 3.59 2.32 0.00 -1.26 -1.92 105.19 107.29 1dki n GLY 250 Ca -0.15 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 1dki n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dki s ILE 251 N -2.36 4.13 0.02 -0.61 1.01 -1.26 -2.80 121.20 119.32 1dki s ILE 251 Ca 0.00 1.10 -0.27 0.00 0.00 0.00 0.00 60.65 61.47 1dki s ILE 251 Cb 0.00 -4.66 0.09 0.00 0.01 0.00 0.00 42.46 37.90 1dki s ILE 251 CO 0.00 -1.15 0.77 -1.59 0.00 0.00 0.00 174.94 172.97 1dki s LYS 252 N 4.66 0.99 0.00 2.79 -2.85 -1.26 -4.81 119.74 119.25 1dki s LYS 252 Ca 0.46 -0.19 0.06 0.00 -1.00 0.00 0.00 55.97 55.30 1dki s LYS 252 Cb -0.07 0.46 0.36 0.00 -2.06 0.00 0.00 37.83 36.52 1dki s LYS 252 CO 0.29 -0.40 0.83 -2.30 0.10 0.00 0.00 175.35 173.87