#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aoq h PRO 10 N 0.00 0.00 0.00 -0.67 0.13 -1.94 -2.23 132.00 127.29 1aoq h PRO 10 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1aoq h PRO 10 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1aoq h PRO 10 CO 0.00 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 177.78 1aoq n ALA 11 N -2.13 1.29 0.25 -0.56 0.00 -1.26 -1.96 120.51 116.13 1aoq n ALA 11 Ca -0.02 0.15 0.14 0.00 0.00 0.00 0.00 53.44 53.71 1aoq n ALA 11 Cb 0.12 -1.34 0.73 0.00 0.00 0.00 0.00 19.45 18.97 1aoq n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aoq h ALA 12 N 2.11 1.00 0.00 0.00 0.00 -1.82 -2.07 119.26 118.47 1aoq h ALA 12 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1aoq h ALA 12 Cb 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1aoq h ALA 12 CO 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 179.25 179.14 1aoq h ALA 13 N 2.04 1.73 -0.70 0.00 0.00 -1.65 -1.92 119.26 118.76 1aoq h ALA 13 Ca 0.00 -0.10 0.19 0.00 0.00 0.00 0.00 54.91 55.00 1aoq h ALA 13 Cb 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1aoq h ALA 13 CO 0.00 0.13 0.49 -0.07 0.00 0.00 0.00 179.25 179.81 1aoq h LEU 14 N 0.00 0.10 0.00 0.00 3.38 -1.63 0.10 115.31 117.27 1aoq h LEU 14 Ca -0.00 0.01 -0.40 0.00 0.09 0.00 0.00 57.88 57.58 1aoq h LEU 14 Cb 0.20 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 1aoq h LEU 14 CO 0.01 0.05 -2.35 -0.62 0.09 0.00 0.00 178.44 175.62 1aoq n GLU 15 N -4.38 0.53 -0.25 1.13 -0.58 -0.91 -3.93 120.64 112.25 1aoq n GLU 15 Ca 0.14 0.21 -0.02 0.00 -0.42 0.00 0.00 57.16 57.07 1aoq n GLU 15 Cb 0.70 -1.38 0.10 0.00 -0.57 0.00 0.00 31.44 30.28 1aoq n GLU 15 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1aoq h ASP 16 N -0.71 0.67 -0.57 1.62 3.32 -1.25 -2.77 116.42 116.75 1aoq h ASP 16 Ca -0.60 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.47 1aoq h ASP 16 Cb 1.59 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 41.01 1aoq h ASP 16 CO -0.32 0.45 0.00 1.41 -1.72 0.00 0.00 179.24 179.06 1aoq n HIS 17 N -4.71 1.38 -2.46 4.55 8.25 0.35 -4.93 115.22 117.65 1aoq n HIS 17 Ca 0.09 -0.65 -0.39 0.00 -0.26 0.00 0.00 57.72 56.52 1aoq n HIS 17 Cb 0.14 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 30.95 1aoq n HIS 17 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1aoq s LYS 18 N -1.97 4.35 -0.02 -0.41 2.20 -1.05 -2.67 119.74 120.17 1aoq s LYS 18 Ca 0.48 1.71 -0.30 0.00 -0.36 0.00 0.00 55.97 57.49 1aoq s LYS 18 Cb 0.32 -2.86 -0.03 0.00 -1.51 0.00 0.00 37.83 33.75 1aoq s LYS 18 CO 0.21 -0.02 1.11 0.99 -0.36 0.00 0.00 175.35 177.28 1aoq s THR 19 N -1.39 4.46 0.32 3.43 2.01 -1.26 -4.70 115.64 118.51 1aoq s THR 19 Ca 0.52 1.76 0.07 0.00 0.31 0.00 0.00 61.69 64.35 1aoq s THR 19 Cb -0.28 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.03 1aoq s THR 19 CO 0.36 0.07 -0.04 -0.13 -0.69 0.00 0.00 174.62 174.19 1aoq s ARG 20 N 1.59 1.70 0.47 4.92 0.52 -1.26 -5.03 118.95 121.86 1aoq s ARG 20 Ca 0.54 -1.89 0.22 0.00 -0.52 0.00 0.00 55.73 54.08 1aoq s ARG 20 Cb -0.24 -1.33 1.17 0.00 0.52 0.00 0.00 34.95 35.07 1aoq s ARG 20 CO 0.24 0.02 1.97 1.79 0.02 0.00 0.00 175.30 179.35 1aoq h THR 21 N 2.11 0.78 -0.38 0.02 1.35 -1.89 -3.14 112.91 111.76 1aoq h THR 21 Ca -0.41 -0.79 -0.13 0.00 -0.55 0.00 0.00 66.41 64.52 1aoq h THR 21 Cb 1.24 1.48 -0.08 0.00 -1.73 0.00 0.00 68.15 69.06 1aoq h THR 21 CO 0.70 0.19 0.02 -0.90 -0.25 0.00 0.00 175.52 175.29 1aoq n ASP 22 N -3.78 3.28 -0.35 5.36 5.75 -1.26 -4.46 116.55 121.09 1aoq n ASP 22 Ca -0.02 -3.42 0.04 0.00 -0.01 0.00 0.00 54.79 51.38 1aoq n ASP 22 Cb 0.30 -0.62 0.05 0.00 -1.03 0.00 0.00 41.12 39.82 1aoq n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1aoq n ASN 23 N -0.82 0.83 -0.29 -1.12 6.94 -1.19 -4.75 115.26 114.86 1aoq n ASN 23 Ca 0.31 -2.38 0.11 0.00 -0.02 0.00 0.00 54.58 52.59 1aoq n ASN 23 Cb 1.04 -0.28 -0.00 0.00 -2.36 0.00 0.00 39.78 38.18 1aoq n ASN 23 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1aoq n ARG 24 N -0.51 0.73 -1.14 -3.83 1.74 -1.26 -4.46 116.66 107.94 1aoq n ARG 24 Ca 0.06 -0.59 -0.24 0.00 -0.77 0.00 0.00 57.85 56.31 1aoq n ARG 24 Cb 0.68 -1.49 0.14 0.00 -1.02 0.00 0.00 32.46 30.77 1aoq n ARG 24 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 1aoq n TYR 25 N -0.62 2.81 -3.44 -1.55 4.11 -1.26 -2.83 117.16 114.38 1aoq n TYR 25 Ca 0.08 -1.94 -0.32 0.00 -0.00 0.00 0.00 57.90 55.72 1aoq n TYR 25 Cb 0.41 -0.98 -0.05 0.00 -0.00 0.00 0.00 39.34 38.72 1aoq n TYR 25 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1aoq s GLU 26 N -3.07 3.80 0.38 -3.48 0.41 -1.26 -5.03 118.70 110.44 1aoq s GLU 26 Ca 0.53 0.26 -0.26 0.00 -0.41 0.00 0.00 54.97 55.08 1aoq s GLU 26 Cb 0.44 -2.69 -0.11 0.00 -1.78 0.00 0.00 34.13 29.99 1aoq s GLU 26 CO 0.08 0.34 1.15 -2.30 -0.49 0.00 0.00 175.26 174.04 1aoq n PRO 27 N -0.04 1.70 -3.97 0.39 -0.02 -1.26 -4.92 135.00 126.88 1aoq n PRO 27 Ca -0.00 0.60 -0.34 0.00 -2.02 0.00 0.00 63.50 61.74 1aoq n PRO 27 Cb 0.52 -2.17 -0.14 0.00 -0.02 0.00 0.00 33.50 31.69 1aoq n PRO 27 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1aoq s SER 28 N -0.55 4.75 -1.35 2.55 0.15 -1.26 -3.22 113.70 114.76 1aoq s SER 28 Ca 0.60 -1.43 -0.06 0.00 0.70 0.00 0.00 55.95 55.75 1aoq s SER 28 Cb -0.57 -1.66 0.10 0.00 -1.71 0.00 0.00 66.02 62.19 1aoq s SER 28 CO 0.59 -0.26 2.42 0.18 1.20 0.00 0.00 173.24 177.36 1aoq n LEU 29 N 4.52 8.05 0.11 3.45 4.77 -0.50 -4.67 117.00 132.73 1aoq n LEU 29 Ca -0.11 -4.82 0.12 0.00 -0.03 0.00 0.00 56.01 51.17 1aoq n LEU 29 Cb 0.43 -1.39 0.46 0.00 -2.33 0.00 0.00 43.42 40.59 1aoq n LEU 29 CO 0.25 2.02 0.86 -0.90 -1.33 0.00 0.00 177.39 178.29 1aoq n ASP 30 N 2.07 0.68 0.02 -1.43 5.68 -1.26 -1.25 116.55 121.05 1aoq n ASP 30 Ca 0.63 0.63 -0.21 0.00 -0.50 0.00 0.00 54.79 55.34 1aoq n ASP 30 Cb 0.25 -0.79 -0.14 0.00 -1.14 0.00 0.00 41.12 39.31 1aoq n ASP 30 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1aoq h ASN 31 N 0.00 0.39 0.13 -1.12 2.35 -1.85 -3.28 115.58 112.20 1aoq h ASN 31 Ca 0.00 -0.89 -0.07 0.00 -0.55 0.00 0.00 56.30 54.79 1aoq h ASN 31 Cb 0.49 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1aoq h ASN 31 CO 0.00 1.50 -0.26 0.25 -1.65 0.00 0.00 177.43 177.27 1aoq h LEU 32 N -0.39 0.22 -2.61 1.61 5.85 -1.69 -1.92 115.31 116.37 1aoq h LEU 32 Ca -0.23 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 1aoq h LEU 32 Cb 1.67 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.64 1aoq h LEU 32 CO 0.08 0.48 -0.01 0.00 -0.34 0.00 0.00 178.44 178.66 1aoq h ALA 33 N 1.54 1.04 0.00 1.25 0.00 -1.25 -1.95 119.26 119.89 1aoq h ALA 33 Ca 0.03 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1aoq h ALA 33 Cb 0.57 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1aoq h ALA 33 CO 0.04 0.01 -0.22 1.96 0.00 0.00 0.00 179.25 181.04 1aoq h GLN 34 N 0.00 0.00 -6.61 0.00 4.20 -1.40 -3.42 115.11 107.87 1aoq h GLN 34 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1aoq h GLN 34 Cb 0.12 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.93 1aoq h GLN 34 CO 0.00 0.22 0.71 -0.65 -0.67 0.00 0.00 178.83 178.45 1aoq s GLN 35 N -3.64 4.33 0.08 1.46 -0.21 -0.73 -4.99 119.66 115.95 1aoq s GLN 35 Ca 0.01 2.11 -0.28 0.00 0.02 0.00 0.00 55.36 57.22 1aoq s GLN 35 Cb 0.10 -3.21 -0.06 0.00 1.00 0.00 0.00 33.01 30.85 1aoq s GLN 35 CO 0.64 -0.39 0.87 -0.51 -2.12 0.00 0.00 175.29 173.78 1aoq s ASP 36 N 0.77 7.36 0.11 5.90 1.01 -1.26 -4.98 116.67 125.58 1aoq s ASP 36 Ca 0.62 1.63 0.09 0.00 0.71 0.00 0.00 52.55 55.60 1aoq s ASP 36 Cb -0.38 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 40.99 1aoq s ASP 36 CO 0.34 -0.03 -0.24 0.68 0.21 0.00 0.00 175.17 176.14 1aoq s VAL 37 N -0.03 1.95 0.31 -1.27 -7.23 -1.26 -5.13 120.40 107.75 1aoq s VAL 37 Ca 0.43 -1.60 -0.21 0.00 -1.81 0.00 0.00 61.98 58.79 1aoq s VAL 37 Cb -0.22 -1.74 -0.09 0.00 0.56 0.00 0.00 36.38 34.88 1aoq s VAL 37 CO 0.26 0.04 0.85 0.00 -0.31 0.00 0.00 175.10 175.94 1aoq s ALA 38 N -1.07 3.26 0.15 1.32 0.00 -1.26 -4.55 121.76 119.60 1aoq s ALA 38 Ca 0.10 0.32 -0.30 0.00 0.00 0.00 0.00 51.96 52.07 1aoq s ALA 38 Cb -0.10 -3.00 -0.07 0.00 0.00 0.00 0.00 23.12 19.95 1aoq s ALA 38 CO 0.05 0.24 1.14 0.00 0.00 0.00 0.00 175.76 177.18 1aoq s ALA 39 N -1.74 3.38 0.87 0.00 0.00 -1.26 -4.99 121.76 118.02 1aoq s ALA 39 Ca 0.51 0.84 -0.13 0.00 0.00 0.00 0.00 51.96 53.18 1aoq s ALA 39 Cb -0.15 -3.39 0.12 0.00 0.00 0.00 0.00 23.12 19.71 1aoq s ALA 39 CO 0.20 -0.29 1.19 -1.25 0.00 0.00 0.00 175.76 175.61 1aoq s PRO 40 N 0.02 1.42 0.66 0.00 0.04 -1.26 -4.99 135.00 130.89 1aoq s PRO 40 Ca 0.52 0.07 -0.11 0.00 0.04 0.00 0.00 61.00 61.52 1aoq s PRO 40 Cb -0.30 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 1aoq s PRO 40 CO 0.34 -1.96 1.05 0.20 0.04 0.00 0.00 177.00 176.67 1aoq s GLY 41 N -4.46 1.65 -0.19 0.56 0.00 -1.26 -4.81 107.32 98.81 1aoq s GLY 41 Ca 0.65 -0.13 -0.04 0.00 0.00 0.00 0.00 44.72 45.20 1aoq s GLY 41 CO 0.51 0.18 -0.04 0.00 0.00 0.00 0.00 173.10 173.75 1aoq s ALA 42 N -3.20 2.88 1.14 3.20 0.00 -1.26 -4.69 121.76 119.82 1aoq s ALA 42 Ca 0.57 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.33 1aoq s ALA 42 Cb -0.12 -1.63 0.26 0.00 0.00 0.00 0.00 23.12 21.63 1aoq s ALA 42 CO 0.54 -0.16 1.11 -1.25 0.00 0.00 0.00 175.76 175.99 1aoq s PRO 43 N 1.02 -0.70 0.34 0.00 0.04 -1.26 -4.87 135.00 129.57 1aoq s PRO 43 Ca 0.01 0.11 -0.29 0.00 0.04 0.00 0.00 61.00 60.87 1aoq s PRO 43 Cb -0.15 -1.64 -0.11 0.00 0.04 0.00 0.00 34.50 32.64 1aoq s PRO 43 CO 0.00 -3.40 1.50 -1.91 0.04 0.00 0.00 177.00 173.23 1aoq n GLU 44 N -4.58 2.62 -0.60 4.56 2.13 -1.26 -1.94 120.64 121.58 1aoq n GLU 44 Ca 0.10 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.85 1aoq n GLU 44 Cb 0.59 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.64 1aoq n GLU 44 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1aoq n GLY 45 N 1.07 0.80 3.12 8.31 0.00 -1.26 -5.03 105.19 112.20 1aoq n GLY 45 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1aoq n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aoq s VAL 46 N -3.18 1.37 0.04 1.61 1.01 -0.82 -5.12 120.40 115.31 1aoq s VAL 46 Ca 0.00 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.07 1aoq s VAL 46 Cb 0.00 -1.18 -0.06 0.00 0.00 0.00 0.00 36.38 35.14 1aoq s VAL 46 CO 0.00 0.40 0.69 -0.89 0.00 0.00 0.00 175.10 175.29 1aoq s THR 47 N 0.06 4.76 0.48 3.92 2.01 -1.26 -4.59 115.64 121.02 1aoq s THR 47 Ca -0.04 1.46 -0.13 0.00 0.31 0.00 0.00 61.69 63.29 1aoq s THR 47 Cb -0.11 -4.03 -0.06 0.00 0.01 0.00 0.00 72.50 68.30 1aoq s THR 47 CO 0.02 0.42 0.89 0.00 -0.69 0.00 0.00 174.62 175.26 1aoq s ALA 48 N -0.31 3.21 0.04 7.40 0.00 -1.26 -4.94 121.76 125.90 1aoq s ALA 48 Ca 0.35 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.28 1aoq s ALA 48 Cb -0.20 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 1aoq s ALA 48 CO 0.21 -0.21 -0.03 -0.51 0.00 0.00 0.00 175.76 175.22 1aoq s LEU 49 N -4.16 3.34 1.05 0.00 1.43 -1.26 -5.10 118.68 113.98 1aoq s LEU 49 Ca 0.54 -0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 53.35 1aoq s LEU 49 Cb -0.10 -2.00 0.21 0.00 0.03 0.00 0.00 46.19 44.33 1aoq s LEU 49 CO 0.35 0.23 1.12 -0.94 0.23 0.00 0.00 176.35 177.34 1aoq s SER 50 N -1.85 2.22 0.18 2.29 1.04 -1.26 -4.71 113.70 111.61 1aoq s SER 50 Ca 0.21 0.92 -0.12 0.00 0.48 0.00 0.00 55.95 57.44 1aoq s SER 50 Cb -0.11 -1.40 0.09 0.00 0.10 0.00 0.00 66.02 64.69 1aoq s SER 50 CO 0.13 -3.35 1.77 0.44 0.98 0.00 0.00 173.24 173.21 1aoq h ASP 51 N -2.05 0.79 -0.04 7.02 3.32 -1.94 0.07 116.42 123.60 1aoq h ASP 51 Ca -0.51 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.42 1aoq h ASP 51 Cb 1.32 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.66 1aoq h ASP 51 CO 0.50 0.69 0.02 0.00 -1.72 0.00 0.00 179.24 178.73 1aoq h ALA 52 N 1.14 0.05 -0.42 3.45 0.00 -1.93 -1.05 119.26 120.50 1aoq h ALA 52 Ca 0.21 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1aoq h ALA 52 Cb 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1aoq h ALA 52 CO -0.03 -0.40 0.25 1.96 0.00 0.00 0.00 179.25 181.03 1aoq h GLN 53 N -0.05 0.57 -0.55 0.00 4.20 -1.88 -1.48 115.11 115.92 1aoq h GLN 53 Ca 0.01 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1aoq h GLN 53 Cb 0.11 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1aoq h GLN 53 CO -0.00 0.42 0.15 -0.92 -0.67 0.00 0.00 178.83 177.81 1aoq h TYR 54 N 0.56 0.91 -0.87 2.96 3.20 -0.92 -1.61 116.97 121.20 1aoq h TYR 54 Ca 0.15 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1aoq h TYR 54 Cb -0.00 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 37.97 1aoq h TYR 54 CO -0.03 0.78 0.48 -0.91 -1.64 0.00 0.00 178.16 176.85 1aoq h ASN 55 N 0.78 1.08 -0.33 -2.11 2.35 -0.99 0.17 115.58 116.52 1aoq h ASN 55 Ca 0.17 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1aoq h ASN 55 Cb 0.32 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1aoq h ASN 55 CO -0.00 0.86 0.11 -0.08 -1.65 0.00 0.00 177.43 176.67 1aoq h GLU 56 N 1.21 0.52 -0.51 0.81 4.81 -1.02 -1.42 114.58 118.98 1aoq h GLU 56 Ca 0.31 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 1aoq h GLU 56 Cb 0.02 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1aoq h GLU 56 CO -0.05 0.54 -0.03 0.00 -0.73 0.00 0.00 179.01 178.74 1aoq h ALA 57 N 0.95 0.98 -0.46 2.92 0.00 -0.98 -2.62 119.26 120.06 1aoq h ALA 57 Ca 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1aoq h ALA 57 Cb 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1aoq h ALA 57 CO -0.00 0.61 0.26 -0.97 0.00 0.00 0.00 179.25 179.15 1aoq h ASN 58 N 0.81 0.56 -0.40 0.00 -0.73 -0.45 0.32 115.58 115.69 1aoq h ASN 58 Ca 0.15 -0.07 0.01 0.00 1.87 0.00 0.00 56.30 58.25 1aoq h ASN 58 Cb 0.53 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.96 1aoq h ASN 58 CO 0.03 0.47 0.26 0.50 -0.37 0.00 0.00 177.43 178.32 1aoq h LYS 59 N 0.60 0.51 -0.36 6.67 3.64 -1.12 -0.90 116.57 125.61 1aoq h LYS 59 Ca 0.16 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1aoq h LYS 59 Cb 0.02 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1aoq h LYS 59 CO -0.03 0.34 0.19 0.82 -2.27 0.00 0.00 179.45 178.50 1aoq h ILE 60 N 0.53 1.16 -0.05 2.00 2.04 -1.18 -1.60 117.51 120.39 1aoq h ILE 60 Ca 0.15 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.60 1aoq h ILE 60 Cb -0.05 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1aoq h ILE 60 CO -0.04 0.16 -0.09 0.22 0.00 0.00 0.00 178.15 178.40 1aoq h TYR 61 N 0.46 -0.23 -0.57 1.37 3.20 -0.52 0.12 116.97 120.80 1aoq h TYR 61 Ca 0.13 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 1aoq h TYR 61 Cb 0.09 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1aoq h TYR 61 CO -0.02 -0.14 0.18 0.74 -1.64 0.00 0.00 178.16 177.28 1aoq h PHE 62 N -0.13 0.86 -0.05 -3.82 -1.00 -1.06 0.22 116.94 111.97 1aoq h PHE 62 Ca 0.05 -0.06 -0.24 0.00 2.81 0.00 0.00 57.97 60.53 1aoq h PHE 62 Cb 0.21 -0.26 0.01 0.00 3.61 0.00 0.00 35.95 39.52 1aoq h PHE 62 CO -0.18 0.69 -0.93 0.93 -1.61 0.00 0.00 178.31 177.21 1aoq h GLU 63 N 0.82 0.64 0.00 1.51 5.08 -0.91 -1.32 114.58 120.41 1aoq h GLU 63 Ca 0.19 -0.63 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1aoq h GLU 63 Cb 0.23 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1aoq h GLU 63 CO -0.01 1.24 -1.12 0.54 -1.00 0.00 0.00 179.01 178.66 1aoq n ARG 64 N -3.85 0.66 -0.02 2.33 1.74 0.38 -4.36 116.66 113.54 1aoq n ARG 64 Ca -0.09 -0.04 -0.02 0.00 -0.77 0.00 0.00 57.85 56.93 1aoq n ARG 64 Cb 0.83 -1.07 -0.02 0.00 -1.02 0.00 0.00 32.46 31.17 1aoq n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aoq h ALA 66 N 0.10 1.96 -0.21 0.00 0.00 -1.02 -0.96 119.26 119.13 1aoq h ALA 66 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1aoq h ALA 66 Cb 1.18 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1aoq h ALA 66 CO -0.00 -0.34 0.14 0.78 0.00 0.00 0.00 179.25 179.83 1aoq h GLY 67 N 0.00 0.29 1.04 0.00 0.00 -1.80 0.45 103.07 103.05 1aoq h GLY 67 Ca 0.11 -0.11 -0.31 0.00 0.00 0.00 0.00 47.33 47.03 1aoq h GLY 67 CO -0.00 0.11 -1.68 0.00 0.00 0.00 0.00 176.54 174.97 1aoq n HIS 69 N -3.27 0.00 0.00 0.00 8.25 -0.41 -0.41 115.22 119.38 1aoq n HIS 69 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1aoq n HIS 69 Cb 1.04 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 32.01 1aoq n HIS 69 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aoq n GLY 70 N 1.43 0.42 0.33 -1.41 0.00 0.16 -0.52 105.19 105.60 1aoq n GLY 70 Ca 0.01 -1.52 -0.04 0.00 0.00 0.00 0.00 46.02 44.48 1aoq n GLY 70 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1aoq h VAL 71 N 0.00 1.23 -0.00 1.61 2.07 -1.94 -1.21 116.25 118.00 1aoq h VAL 71 Ca 0.00 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1aoq h VAL 71 Cb 0.00 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.74 1aoq h VAL 71 CO 0.00 0.22 -0.07 0.18 0.02 0.00 0.00 177.57 177.93 1aoq n LEU 72 N -4.47 0.52 -1.44 2.57 4.77 -1.26 -4.93 117.00 112.76 1aoq n LEU 72 Ca 0.09 -0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 1aoq n LEU 72 Cb 0.02 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1aoq n LEU 72 CO 0.37 0.09 -0.17 0.54 -1.33 0.00 0.00 177.39 176.89 1aoq n ARG 73 N -0.80 -1.12 0.00 3.23 1.74 -0.46 -4.86 116.66 114.40 1aoq n ARG 73 Ca 0.17 0.86 0.14 0.00 -0.77 0.00 0.00 57.85 58.25 1aoq n ARG 73 Cb 0.25 -5.10 0.51 0.00 -1.02 0.00 0.00 32.46 27.11 1aoq n ARG 73 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1aoq n LYS 74 N -2.49 1.65 0.00 5.56 4.76 -1.17 -0.40 118.16 126.06 1aoq n LYS 74 Ca -0.16 -0.97 0.00 0.00 -2.87 0.00 0.00 58.31 54.31 1aoq n LYS 74 Cb 0.57 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 1aoq n LYS 74 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aoq n GLY 75 N 1.18 0.32 0.00 0.72 0.00 0.32 -4.29 105.19 103.44 1aoq n GLY 75 Ca 0.19 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1aoq n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aoq n ALA 76 N 0.91 0.00 0.08 4.61 0.00 -0.82 -4.72 120.51 120.57 1aoq n ALA 76 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1aoq n ALA 76 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1aoq n ALA 76 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1aoq h THR 77 N 0.00 1.63 -2.77 0.00 1.35 -1.67 -3.45 112.91 108.00 1aoq h THR 77 Ca 0.00 -3.15 -0.48 0.00 -0.55 0.00 0.00 66.41 62.24 1aoq h THR 77 Cb 0.00 2.76 0.01 0.00 -1.73 0.00 0.00 68.15 69.18 1aoq h THR 77 CO 0.00 0.90 -0.22 -0.83 -0.25 0.00 0.00 175.52 175.13 1aoq s GLY 78 N -4.65 1.38 0.92 5.82 0.00 0.45 -5.04 107.32 106.19 1aoq s GLY 78 Ca -0.01 -0.91 -0.12 0.00 0.00 0.00 0.00 44.72 43.68 1aoq s GLY 78 CO 0.83 -0.86 1.09 -1.59 0.00 0.00 0.00 173.10 172.57 1aoq s LYS 79 N -4.20 1.07 0.49 2.90 -2.85 -1.26 -4.42 119.74 111.46 1aoq s LYS 79 Ca 0.40 0.80 -0.23 0.00 -1.00 0.00 0.00 55.97 55.93 1aoq s LYS 79 Cb -0.10 -1.79 -0.07 0.00 -2.06 0.00 0.00 37.83 33.82 1aoq s LYS 79 CO 0.35 -2.36 1.27 0.00 0.10 0.00 0.00 175.35 174.70 1aoq s ALA 80 N -2.92 2.95 -0.25 0.59 0.00 -1.26 -4.30 121.76 116.57 1aoq s ALA 80 Ca 0.64 1.15 0.16 0.00 0.00 0.00 0.00 51.96 53.90 1aoq s ALA 80 Cb -0.18 -3.48 0.48 0.00 0.00 0.00 0.00 23.12 19.94 1aoq s ALA 80 CO 0.57 -0.98 1.15 1.28 0.00 0.00 0.00 175.76 177.79 1aoq n LEU 81 N -0.62 2.95 -4.77 0.00 4.77 0.46 -4.90 117.00 114.89 1aoq n LEU 81 Ca 0.08 -3.70 -0.33 0.00 -0.03 0.00 0.00 56.01 52.03 1aoq n LEU 81 Cb 0.46 0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.65 1aoq n LEU 81 CO 0.51 1.45 0.75 0.42 -1.33 0.00 0.00 177.39 179.19 1aoq s THR 82 N -3.81 3.13 0.37 -5.08 -4.23 -1.19 -4.67 115.64 100.16 1aoq s THR 82 Ca 0.38 0.55 0.16 0.00 -1.18 0.00 0.00 61.69 61.60 1aoq s THR 82 Cb 0.36 -3.08 0.37 0.00 1.34 0.00 0.00 72.50 71.49 1aoq s THR 82 CO -0.02 -0.30 1.73 -0.65 -0.54 0.00 0.00 174.62 174.84 1aoq h PRO 83 N 0.13 0.41 -0.84 3.99 0.11 -1.82 -0.18 132.00 133.79 1aoq h PRO 83 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1aoq h PRO 83 Cb 1.25 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1aoq h PRO 83 CO 0.54 0.27 0.50 0.38 -0.21 0.00 0.00 178.00 179.48 1aoq h ASP 84 N 0.42 1.02 0.01 -2.05 2.03 -1.93 -0.92 116.42 115.00 1aoq h ASP 84 Ca 0.65 -0.07 -0.04 0.00 -0.73 0.00 0.00 57.03 56.84 1aoq h ASP 84 Cb 1.53 -0.26 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1aoq h ASP 84 CO -0.40 0.79 -0.16 -0.07 -1.03 0.00 0.00 179.24 178.37 1aoq h LEU 85 N 1.16 0.13 -0.96 0.15 3.38 -1.44 -3.25 115.31 114.49 1aoq h LEU 85 Ca 0.30 -0.82 -0.07 0.00 0.09 0.00 0.00 57.88 57.38 1aoq h LEU 85 Cb -0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1aoq h LEU 85 CO -0.06 0.94 0.03 0.71 0.09 0.00 0.00 178.44 180.15 1aoq h THR 86 N -0.66 1.24 -0.12 0.22 1.35 -1.22 -2.51 112.91 111.20 1aoq h THR 86 Ca -0.02 -0.95 -0.04 0.00 -0.55 0.00 0.00 66.41 64.85 1aoq h THR 86 Cb 0.97 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 1aoq h THR 86 CO 0.03 0.34 -0.12 0.03 -0.25 0.00 0.00 175.52 175.55 1aoq h ARG 87 N 0.75 0.19 -0.18 4.72 3.08 -1.29 0.14 114.38 121.79 1aoq h ARG 87 Ca 0.15 -0.04 -0.17 0.00 0.07 0.00 0.00 59.98 60.00 1aoq h ARG 87 Cb 0.41 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1aoq h ARG 87 CO 0.01 0.32 -0.58 -0.44 -1.07 0.00 0.00 179.97 178.21 1aoq h ASP 88 N 0.18 0.63 -0.47 7.04 3.32 -1.50 -3.02 116.42 122.60 1aoq h ASP 88 Ca 0.04 -0.35 -0.12 0.00 0.02 0.00 0.00 57.03 56.62 1aoq h ASP 88 Cb 0.33 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1aoq h ASP 88 CO 0.02 1.07 -0.17 -0.07 -1.72 0.00 0.00 179.24 178.37 1aoq h LEU 89 N 0.42 0.97 0.00 1.55 3.38 -0.90 -3.50 115.31 117.24 1aoq h LEU 89 Ca 0.00 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1aoq h LEU 89 Cb 1.13 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1aoq h LEU 89 CO 0.11 1.13 0.00 0.61 0.09 0.00 0.00 178.44 180.38 1aoq n GLY 90 N -0.15 -0.46 0.19 0.83 0.00 0.41 -4.25 105.19 101.75 1aoq n GLY 90 Ca -0.00 -1.60 -0.05 0.00 0.00 0.00 0.00 46.02 44.37 1aoq n GLY 90 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1aoq h PHE 91 N 0.00 0.35 -0.36 1.61 3.57 -1.88 -2.39 116.94 117.85 1aoq h PHE 91 Ca 0.00 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.59 1aoq h PHE 91 Cb 0.00 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 1aoq h PHE 91 CO 0.00 0.16 -0.01 -0.44 -2.23 0.00 0.00 178.31 175.79 1aoq h ASP 92 N 0.39 -0.16 0.20 0.41 3.32 -1.99 0.11 116.42 118.70 1aoq h ASP 92 Ca 0.20 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1aoq h ASP 92 Cb 0.15 0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1aoq h ASP 92 CO -0.17 -0.04 -0.10 0.22 -1.72 0.00 0.00 179.24 177.43 1aoq h TYR 93 N 0.09 -0.25 -0.50 4.55 3.20 -1.67 -1.81 116.97 120.59 1aoq h TYR 93 Ca 0.18 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.08 1aoq h TYR 93 Cb 0.25 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 1aoq h TYR 93 CO -0.26 -0.15 0.25 -0.07 -1.64 0.00 0.00 178.16 176.30 1aoq h LEU 94 N -0.27 0.36 -0.21 2.82 3.38 -1.03 0.46 115.31 120.81 1aoq h LEU 94 Ca -0.03 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1aoq h LEU 94 Cb 0.21 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1aoq h LEU 94 CO 0.04 0.25 0.11 -0.61 0.09 0.00 0.00 178.44 178.32 1aoq h GLN 95 N 0.49 0.23 -0.51 1.13 4.15 -0.71 -0.27 115.11 119.61 1aoq h GLN 95 Ca 0.22 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.56 1aoq h GLN 95 Cb 0.13 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1aoq h GLN 95 CO -0.16 0.15 0.07 0.77 -1.93 0.00 0.00 178.83 177.74 1aoq h SER 96 N 0.24 0.82 0.02 -0.69 0.02 -0.96 -2.31 113.55 110.69 1aoq h SER 96 Ca 0.08 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1aoq h SER 96 Cb 0.01 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.33 1aoq h SER 96 CO -0.05 0.88 -0.01 0.15 -1.14 0.00 0.00 176.83 176.66 1aoq h PHE 97 N 0.73 -0.03 0.00 3.45 3.04 -0.71 -2.94 116.94 120.48 1aoq h PHE 97 Ca 0.15 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1aoq h PHE 97 Cb 0.42 0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.94 1aoq h PHE 97 CO 0.03 0.18 0.00 0.82 -2.02 0.00 0.00 178.31 177.32 1aoq h ILE 98 N -0.24 0.00 0.00 1.41 2.04 -1.04 -2.81 117.51 116.87 1aoq h ILE 98 Ca -0.00 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1aoq h ILE 98 Cb 0.22 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1aoq h ILE 98 CO 0.01 0.00 -0.18 0.74 0.00 0.00 0.00 178.15 178.72 1aoq h THR 99 N 0.00 1.11 0.00 -0.27 2.02 -1.22 -2.26 112.91 112.28 1aoq h THR 99 Ca 0.00 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1aoq h THR 99 Cb 0.32 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1aoq h THR 99 CO 0.00 0.18 0.00 -1.22 0.37 0.00 0.00 175.52 174.85 1aoq n TYR 100 N -4.29 0.00 -1.69 3.16 4.01 -1.06 -4.90 117.16 112.38 1aoq n TYR 100 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1aoq n TYR 100 Cb 0.24 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 1aoq n TYR 100 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1aoq n ALA 101 N -1.34 0.00 -2.15 -0.72 0.00 -0.85 -4.97 120.51 110.47 1aoq n ALA 101 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 1aoq n ALA 101 Cb 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.50 1aoq n ALA 101 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1aoq s SER 102 N -4.00 0.34 0.28 0.00 1.04 -0.19 -4.84 113.70 106.33 1aoq s SER 102 Ca 0.00 -1.15 -0.30 0.00 0.48 0.00 0.00 55.95 54.98 1aoq s SER 102 Cb 0.00 0.28 -0.13 0.00 0.10 0.00 0.00 66.02 66.27 1aoq s SER 102 CO 0.00 -0.70 1.45 -2.65 0.98 0.00 0.00 173.24 172.32 1aoq n PRO 103 N -0.05 2.29 -1.86 4.02 -0.02 -1.09 -4.35 135.00 133.95 1aoq n PRO 103 Ca -0.08 0.81 -0.34 0.00 -2.02 0.00 0.00 63.50 61.87 1aoq n PRO 103 Cb 0.63 -2.50 0.04 0.00 -0.02 0.00 0.00 33.50 31.65 1aoq n PRO 103 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aoq s ALA 104 N -0.28 2.47 0.64 3.55 0.00 -1.26 -4.60 121.76 122.28 1aoq s ALA 104 Ca 0.64 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1aoq s ALA 104 Cb -0.58 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.17 1aoq s ALA 104 CO 0.52 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 175.45 1aoq n GLY 105 N -0.04 0.19 3.74 0.00 0.00 -0.21 -4.29 105.19 104.59 1aoq n GLY 105 Ca 0.12 -1.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 1aoq n GLY 105 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1aoq s MET 106 N 0.78 2.41 0.79 1.61 -1.94 -1.13 -4.72 119.30 117.11 1aoq s MET 106 Ca 0.00 1.60 -0.13 0.00 -1.71 0.00 0.00 55.69 55.46 1aoq s MET 106 Cb 0.00 -1.88 0.07 0.00 2.01 0.00 0.00 34.83 35.03 1aoq s MET 106 CO 0.00 -1.59 1.17 -1.25 -0.01 0.00 0.00 175.02 173.34 1aoq s PRO 107 N -3.98 1.82 0.00 2.03 0.04 -1.26 -0.31 135.00 133.35 1aoq s PRO 107 Ca 0.71 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1aoq s PRO 107 Cb -0.25 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1aoq s PRO 107 CO 0.43 -2.05 0.00 0.09 0.04 0.00 0.00 177.00 175.52 1aoq n ASN 108 N -3.27 0.00 -0.00 6.66 3.02 -1.26 -4.12 115.26 116.29 1aoq n ASN 108 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1aoq n ASN 108 Cb 0.51 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1aoq n ASN 108 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 1aoq n TRP 109 N 0.00 0.00 -1.11 3.10 4.27 -1.25 -4.78 117.44 117.68 1aoq n TRP 109 Ca 0.00 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.32 1aoq n TRP 109 Cb 0.00 -0.01 0.16 0.00 -1.36 0.00 0.00 31.31 30.10 1aoq n TRP 109 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 1aoq s GLY 110 N -2.03 1.60 0.62 -1.67 0.00 0.58 -4.95 107.32 101.47 1aoq s GLY 110 Ca -0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 44.72 44.46 1aoq s GLY 110 CO 0.02 0.44 1.11 -1.08 0.00 0.00 0.00 173.10 173.58 1aoq s THR 111 N -2.88 3.31 -0.28 0.90 -1.32 -1.26 -4.69 115.64 109.42 1aoq s THR 111 Ca 0.64 0.66 0.19 0.00 -1.21 0.00 0.00 61.69 61.97 1aoq s THR 111 Cb -0.19 -3.19 0.17 0.00 -1.51 0.00 0.00 72.50 67.78 1aoq s THR 111 CO 0.58 -0.33 1.46 0.77 -2.21 0.00 0.00 174.62 174.88 1aoq h SER 112 N 0.37 0.00 -0.00 8.08 4.64 -1.94 -0.53 113.55 124.16 1aoq h SER 112 Ca -0.48 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1aoq h SER 112 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1aoq h SER 112 CO 0.55 0.25 -0.00 0.61 -0.87 0.00 0.00 176.83 177.37 1aoq n GLY 113 N 1.18 0.48 3.88 -0.77 0.00 -1.26 -4.39 105.19 104.30 1aoq n GLY 113 Ca 0.02 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1aoq n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aoq s GLU 114 N -0.42 3.50 0.07 1.61 2.02 -1.26 -1.02 118.70 123.20 1aoq s GLU 114 Ca 0.00 -0.09 0.06 0.00 0.02 0.00 0.00 54.97 54.96 1aoq s GLU 114 Cb 0.00 -3.18 -0.03 0.00 0.10 0.00 0.00 34.13 31.02 1aoq s GLU 114 CO 0.00 0.75 -0.16 -0.51 0.02 0.00 0.00 175.26 175.36 1aoq s LEU 115 N -1.16 2.25 0.76 1.80 1.43 -1.26 -5.03 118.68 117.47 1aoq s LEU 115 Ca 0.18 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.58 1aoq s LEU 115 Cb -0.13 -0.63 0.05 0.00 0.03 0.00 0.00 46.19 45.51 1aoq s LEU 115 CO 0.07 -0.01 1.13 -0.94 0.23 0.00 0.00 176.35 176.83 1aoq s SER 116 N -1.59 4.92 0.25 2.29 1.04 -1.26 -4.81 113.70 114.54 1aoq s SER 116 Ca 0.01 0.99 -0.05 0.00 0.48 0.00 0.00 55.95 57.38 1aoq s SER 116 Cb -0.09 -1.65 0.30 0.00 0.10 0.00 0.00 66.02 64.68 1aoq s SER 116 CO 0.02 -1.66 1.91 0.00 0.98 0.00 0.00 173.24 174.49 1aoq h ALA 117 N -0.88 1.29 -0.44 5.32 0.00 -2.00 0.40 119.26 122.95 1aoq h ALA 117 Ca -0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1aoq h ALA 117 Cb 1.29 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1aoq h ALA 117 CO 0.64 0.56 0.21 1.49 0.00 0.00 0.00 179.25 182.16 1aoq h GLU 118 N 1.27 0.63 -0.52 0.00 4.57 -2.00 -2.47 114.58 116.05 1aoq h GLU 118 Ca 0.38 -0.09 -0.11 0.00 -1.18 0.00 0.00 59.36 58.37 1aoq h GLU 118 Cb -0.04 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 1aoq h GLU 118 CO -0.11 0.54 -0.09 1.96 -1.18 0.00 0.00 179.01 180.12 1aoq h GLN 119 N 0.57 0.96 -0.73 1.92 4.20 -1.74 -2.15 115.11 118.14 1aoq h GLN 119 Ca 0.15 -0.34 0.04 0.00 0.06 0.00 0.00 58.65 58.56 1aoq h GLN 119 Cb 0.11 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 1aoq h GLN 119 CO -0.02 1.00 0.45 0.28 -0.67 0.00 0.00 178.83 179.87 1aoq h VAL 120 N 0.86 1.07 -0.52 -0.54 2.07 -0.68 -0.40 116.25 118.11 1aoq h VAL 120 Ca 0.14 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 1aoq h VAL 120 Cb 0.63 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1aoq h VAL 120 CO 0.04 0.16 -0.02 0.44 0.02 0.00 0.00 177.57 178.21 1aoq h ASP 121 N 0.86 0.91 -0.71 0.57 3.32 -1.27 -1.48 116.42 118.63 1aoq h ASP 121 Ca 0.30 -0.32 0.03 0.00 0.02 0.00 0.00 57.03 57.06 1aoq h ASP 121 Cb 0.07 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 1aoq h ASP 121 CO -0.13 1.01 0.45 -0.07 -1.72 0.00 0.00 179.24 178.78 1aoq h LEU 122 N 0.79 0.75 -0.32 1.55 3.38 -0.88 -1.13 115.31 119.44 1aoq h LEU 122 Ca 0.14 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1aoq h LEU 122 Cb 0.56 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1aoq h LEU 122 CO 0.03 0.52 -0.01 0.24 0.09 0.00 0.00 178.44 179.31 1aoq h MET 123 N 0.89 0.58 -0.38 1.13 2.86 -0.84 0.98 114.93 120.15 1aoq h MET 123 Ca 0.28 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1aoq h MET 123 Cb -0.01 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1aoq h MET 123 CO -0.10 0.72 0.24 0.00 1.06 0.00 0.00 176.91 178.83 1aoq h ALA 124 N 0.84 0.49 -0.51 6.32 0.00 -1.05 -0.82 119.26 124.53 1aoq h ALA 124 Ca 0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1aoq h ALA 124 Cb 0.47 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1aoq h ALA 124 CO 0.02 -0.03 0.09 -0.91 0.00 0.00 0.00 179.25 178.43 1aoq h ASN 125 N 0.51 0.80 -0.70 0.00 2.35 -1.13 -2.96 115.58 114.44 1aoq h ASN 125 Ca 0.14 -0.25 0.07 0.00 -0.55 0.00 0.00 56.30 55.70 1aoq h ASN 125 Cb -0.01 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.09 1aoq h ASN 125 CO -0.03 0.85 0.39 0.22 -1.65 0.00 0.00 177.43 177.21 1aoq h TYR 126 N 0.71 0.72 0.00 1.19 3.20 -0.44 -1.58 116.97 120.77 1aoq h TYR 126 Ca 0.16 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1aoq h TYR 126 Cb 0.38 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 1aoq h TYR 126 CO 0.03 0.33 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.76 1aoq h LEU 127 N 0.71 0.00 0.00 2.82 3.38 -0.99 -2.24 115.31 118.99 1aoq h LEU 127 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1aoq h LEU 127 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1aoq h LEU 127 CO -0.20 0.05 -0.33 0.18 0.09 0.00 0.00 178.44 178.22 1aoq n LEU 128 N -3.27 0.51 -4.92 1.67 4.77 -0.61 -4.27 117.00 110.88 1aoq n LEU 128 Ca -0.01 0.29 -0.26 0.00 -0.03 0.00 0.00 56.01 56.00 1aoq n LEU 128 Cb 0.22 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1aoq n LEU 128 CO 0.26 -0.02 0.16 -0.76 -1.33 0.00 0.00 177.39 175.70 1aoq s LEU 129 N -3.69 4.06 -0.33 2.23 1.43 -0.84 -4.85 118.68 116.70 1aoq s LEU 129 Ca 0.10 0.55 -0.26 0.00 -1.03 0.00 0.00 54.13 53.48 1aoq s LEU 129 Cb 0.16 -3.38 0.01 0.00 0.03 0.00 0.00 46.19 43.01 1aoq s LEU 129 CO 0.65 -0.22 0.94 -1.81 0.23 0.00 0.00 176.35 176.14 1aoq s ASP 130 N -3.55 6.78 0.34 2.29 1.01 -1.26 -4.63 116.67 117.64 1aoq s ASP 130 Ca 0.41 0.80 -0.26 0.00 0.71 0.00 0.00 52.55 54.21 1aoq s ASP 130 Cb -0.10 -2.48 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 1aoq s ASP 130 CO 0.33 -0.79 1.01 -2.16 0.21 0.00 0.00 175.17 173.77 1aoq s PRO 131 N 3.37 4.47 0.19 8.23 0.04 -1.26 -4.76 135.00 145.28 1aoq s PRO 131 Ca 0.39 1.49 -0.06 0.00 0.04 0.00 0.00 61.00 62.86 1aoq s PRO 131 Cb -0.13 -2.81 -0.06 0.00 0.04 0.00 0.00 34.50 31.54 1aoq s PRO 131 CO 0.15 0.14 0.45 0.00 0.04 0.00 0.00 177.00 177.78 1aoq s ALA 132 N -1.52 3.71 0.24 8.56 0.00 -1.26 -5.06 121.76 126.43 1aoq s ALA 132 Ca 0.51 -0.50 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 1aoq s ALA 132 Cb -0.23 -2.23 -0.09 0.00 0.00 0.00 0.00 23.12 20.58 1aoq s ALA 132 CO 0.29 0.55 1.02 0.00 0.00 0.00 0.00 175.76 177.61 1aoq s ALA 133 N -1.78 3.36 0.87 0.00 0.00 -1.26 -4.98 121.76 117.97 1aoq s ALA 133 Ca 0.43 0.74 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 1aoq s ALA 133 Cb -0.12 -3.27 0.12 0.00 0.00 0.00 0.00 23.12 19.85 1aoq s ALA 133 CO 0.25 0.02 1.15 -2.14 0.00 0.00 0.00 175.76 175.03 1aoq s PRO 134 N -1.14 1.33 0.52 0.00 0.02 -1.26 -4.92 135.00 129.55 1aoq s PRO 134 Ca 0.43 1.53 -0.22 0.00 0.02 0.00 0.00 61.00 62.76 1aoq s PRO 134 Cb -0.28 -1.76 -0.06 0.00 0.02 0.00 0.00 34.50 32.41 1aoq s PRO 134 CO 0.36 -2.40 1.24 -2.30 -0.33 0.00 0.00 177.00 173.57 1aoq n PRO 135 N -3.95 1.57 -1.72 5.54 -0.02 -1.26 -5.01 135.00 130.16 1aoq n PRO 135 Ca 0.12 0.58 -0.29 0.00 -2.02 0.00 0.00 63.50 61.88 1aoq n PRO 135 Cb 0.52 -2.42 0.17 0.00 -0.02 0.00 0.00 33.50 31.74 1aoq n PRO 135 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1aoq s GLU 136 N -2.66 0.72 -0.36 -0.52 0.41 -1.26 -4.77 118.70 110.26 1aoq s GLU 136 Ca 0.70 -0.12 0.03 0.00 -0.41 0.00 0.00 54.97 55.16 1aoq s GLU 136 Cb -0.45 -1.83 0.15 0.00 -1.78 0.00 0.00 34.13 30.23 1aoq s GLU 136 CO 0.51 -2.41 0.38 0.12 -0.49 0.00 0.00 175.26 173.38 1aoq s PHE 137 N -3.58 -0.45 0.00 1.61 2.19 -1.26 -5.02 117.98 111.48 1aoq s PHE 137 Ca 0.69 -0.60 0.00 0.00 0.33 0.00 0.00 56.93 57.35 1aoq s PHE 137 Cb -0.08 -0.36 0.00 0.00 -1.31 0.00 0.00 43.02 41.27 1aoq s PHE 137 CO 0.53 -0.98 0.00 0.41 1.83 0.00 0.00 175.22 177.01 1aoq n GLY 138 N 4.47 1.94 0.30 13.12 0.00 -1.26 -4.85 105.19 118.93 1aoq n GLY 138 Ca 0.09 -2.05 0.01 0.00 0.00 0.00 0.00 46.02 44.06 1aoq n GLY 138 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1aoq h MET 139 N 0.00 0.84 -0.20 1.61 4.05 -2.00 -0.61 114.93 118.62 1aoq h MET 139 Ca 0.00 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1aoq h MET 139 Cb 0.00 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 30.60 1aoq h MET 139 CO 0.00 0.56 0.13 -0.22 0.23 0.00 0.00 176.91 177.60 1aoq h LYS 140 N 0.87 0.26 -0.54 0.39 3.64 -1.99 0.26 116.57 119.46 1aoq h LYS 140 Ca 0.36 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.70 1aoq h LYS 140 Cb 0.21 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1aoq h LYS 140 CO -0.19 0.19 0.25 0.93 -2.27 0.00 0.00 179.45 178.36 1aoq h GLU 141 N 0.25 0.78 -0.17 1.90 3.07 -1.82 -1.87 114.58 116.72 1aoq h GLU 141 Ca 0.07 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1aoq h GLU 141 Cb -0.01 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 1aoq h GLU 141 CO -0.01 0.65 0.07 0.52 -1.40 0.00 0.00 179.01 178.83 1aoq h MET 142 N 0.73 0.26 -0.18 2.33 2.86 -0.86 -2.73 114.93 117.33 1aoq h MET 142 Ca 0.18 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1aoq h MET 142 Cb 0.13 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1aoq h MET 142 CO -0.02 0.33 -0.01 0.00 1.06 0.00 0.00 176.91 178.27 1aoq h ARG 143 N 0.12 0.25 -0.06 1.72 3.08 -0.83 -0.36 114.38 118.31 1aoq h ARG 143 Ca 0.06 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1aoq h ARG 143 Cb 0.17 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1aoq h ARG 143 CO -0.00 0.29 -0.37 0.93 -1.07 0.00 0.00 179.97 179.75 1aoq h GLU 144 N 0.25 0.11 0.00 0.04 5.08 -1.14 -2.84 114.58 116.09 1aoq h GLU 144 Ca 0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1aoq h GLU 144 Cb 0.19 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1aoq h GLU 144 CO 0.00 0.47 -0.64 -1.13 -1.00 0.00 0.00 179.01 176.72 1aoq n SER 145 N -4.08 0.62 -4.68 1.42 3.41 -0.57 -4.90 113.62 104.84 1aoq n SER 145 Ca -0.02 -0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.16 1aoq n SER 145 Cb 0.42 0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.60 1aoq n SER 145 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1aoq s TRP 146 N -3.12 2.68 -0.04 7.33 -0.00 -0.25 -4.37 118.94 121.16 1aoq s TRP 146 Ca 0.07 0.74 -0.01 0.00 -0.00 0.00 0.00 56.10 56.90 1aoq s TRP 146 Cb 0.15 -3.68 0.03 0.00 -0.00 0.00 0.00 33.47 29.97 1aoq s TRP 146 CO 0.72 -2.55 0.02 0.15 -0.00 0.00 0.00 176.95 175.29 1aoq s LYS 147 N 2.95 0.27 -0.45 5.86 1.02 -0.49 -5.00 119.74 123.89 1aoq s LYS 147 Ca 0.64 0.18 -0.12 0.00 0.02 0.00 0.00 55.97 56.68 1aoq s LYS 147 Cb -0.30 -0.63 0.08 0.00 -0.52 0.00 0.00 37.83 36.46 1aoq s LYS 147 CO 0.25 -0.24 0.34 0.08 -0.92 0.00 0.00 175.35 174.85 1aoq s VAL 148 N 1.65 4.73 0.17 3.17 1.01 -1.26 -0.87 120.40 129.00 1aoq s VAL 148 Ca -0.01 -1.28 -0.03 0.00 0.00 0.00 0.00 61.98 60.66 1aoq s VAL 148 Cb -0.13 -3.88 -0.10 0.00 0.00 0.00 0.00 36.38 32.27 1aoq s VAL 148 CO -0.03 -0.58 1.44 0.45 0.00 0.00 0.00 175.10 176.38 1aoq h HIS 149 N 8.59 0.63 -3.20 5.22 -0.00 -0.97 -3.42 115.15 122.00 1aoq h HIS 149 Ca -0.26 -0.26 -0.54 0.00 -0.00 0.00 0.00 60.37 59.31 1aoq h HIS 149 Cb 1.10 -0.10 -0.40 0.00 -0.00 0.00 0.00 27.41 28.00 1aoq h HIS 149 CO 0.63 1.02 -0.76 0.08 -0.00 0.00 0.00 177.93 178.90 1aoq s VAL 150 N -3.71 0.58 0.45 2.45 1.01 -0.76 -5.03 120.40 115.38 1aoq s VAL 150 Ca -0.06 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 1aoq s VAL 150 Cb 0.10 -1.21 -0.09 0.00 0.00 0.00 0.00 36.38 35.18 1aoq s VAL 150 CO 0.85 -0.38 1.18 0.00 0.00 0.00 0.00 175.10 176.74 1aoq n ALA 151 N 5.01 0.93 -0.28 5.51 0.00 -1.26 -4.83 120.51 125.59 1aoq n ALA 151 Ca -0.07 0.22 0.09 0.00 0.00 0.00 0.00 53.44 53.68 1aoq n ALA 151 Cb 0.45 -2.21 0.24 0.00 0.00 0.00 0.00 19.45 17.92 1aoq n ALA 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1aoq h PRO 152 N 1.73 0.24 -0.17 0.00 0.11 -1.96 0.16 132.00 132.11 1aoq h PRO 152 Ca -0.47 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.67 1aoq h PRO 152 Cb 1.31 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1aoq h PRO 152 CO 0.58 0.16 0.21 1.05 -0.21 0.00 0.00 178.00 179.79 1aoq h GLU 153 N 0.24 0.00 -0.02 1.05 4.11 -1.99 -1.61 114.58 116.36 1aoq h GLU 153 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.92 1aoq h GLU 153 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1aoq h GLU 153 CO -0.59 0.00 -0.23 -0.25 0.07 0.00 0.00 179.01 178.01 1aoq n ASP 154 N -3.69 2.36 -4.90 3.06 8.00 0.54 -4.96 116.55 116.97 1aoq n ASP 154 Ca 0.01 -1.69 -0.28 0.00 0.71 0.00 0.00 54.79 53.54 1aoq n ASP 154 Cb 0.33 0.22 0.04 0.00 -0.02 0.00 0.00 41.12 41.69 1aoq n ASP 154 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1aoq s ARG 155 N -2.24 2.82 0.73 -1.24 0.52 -0.61 -4.97 118.95 113.96 1aoq s ARG 155 Ca 0.24 0.22 -0.13 0.00 -0.52 0.00 0.00 55.73 55.54 1aoq s ARG 155 Cb 0.19 -2.13 0.04 0.00 0.52 0.00 0.00 34.95 33.57 1aoq s ARG 155 CO 0.44 -0.93 1.12 -1.25 0.02 0.00 0.00 175.30 174.70 1aoq s PRO 156 N -5.21 2.40 0.00 3.54 0.04 -1.26 -4.95 135.00 129.56 1aoq s PRO 156 Ca 0.57 1.37 0.24 0.00 0.04 0.00 0.00 61.00 63.22 1aoq s PRO 156 Cb -0.11 -1.90 0.27 0.00 0.04 0.00 0.00 34.50 32.80 1aoq s PRO 156 CO 0.49 -1.56 1.28 0.25 0.04 0.00 0.00 177.00 177.49 1aoq n THR 157 N -2.98 0.00 -3.63 1.26 -2.24 -1.26 -4.96 114.28 100.48 1aoq n THR 157 Ca 0.10 -0.36 -0.10 0.00 -2.27 0.00 0.00 64.05 61.43 1aoq n THR 157 Cb 0.52 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.92 1aoq n THR 157 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aoq s GLN 158 N -2.21 1.30 0.08 -0.78 -2.07 -1.26 -5.12 119.66 109.60 1aoq s GLN 158 Ca 0.25 -0.72 -0.31 0.00 -1.82 0.00 0.00 55.36 52.77 1aoq s GLN 158 Cb 0.19 0.53 -0.09 0.00 -1.09 0.00 0.00 33.01 32.56 1aoq s GLN 158 CO 0.42 -0.55 1.81 -1.14 -1.32 0.00 0.00 175.29 174.51 1aoq s GLN 159 N -3.82 4.15 0.00 9.60 0.74 -1.26 -4.85 119.66 124.22 1aoq s GLN 159 Ca 0.05 2.52 0.19 0.00 0.05 0.00 0.00 55.36 58.18 1aoq s GLN 159 Cb -0.01 -3.74 -0.20 0.00 1.10 0.00 0.00 33.01 30.16 1aoq s GLN 159 CO -0.07 -0.84 0.84 -1.33 -0.55 0.00 0.00 175.29 173.33 1aoq n MET 160 N 6.14 0.62 -3.39 1.67 2.81 0.86 -4.94 117.12 120.89 1aoq n MET 160 Ca 0.18 -0.05 -0.19 0.00 -1.81 0.00 0.00 57.70 55.82 1aoq n MET 160 Cb 0.40 -1.42 -0.02 0.00 -0.71 0.00 0.00 33.22 31.47 1aoq n MET 160 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1aoq s ASN 161 N -2.81 5.31 -0.25 7.83 2.20 -1.25 -4.60 114.94 121.37 1aoq s ASN 161 Ca 0.08 -0.59 0.13 0.00 -0.94 0.00 0.00 52.86 51.54 1aoq s ASN 161 Cb 0.15 -0.66 0.73 0.00 -2.00 0.00 0.00 41.25 39.47 1aoq s ASN 161 CO 0.78 -0.66 1.69 -0.90 -2.94 0.00 0.00 177.10 175.08 1aoq n ASP 162 N -1.64 4.99 -4.80 3.54 5.68 -1.26 -5.01 116.55 118.06 1aoq n ASP 162 Ca 0.04 -3.07 -0.33 0.00 -0.50 0.00 0.00 54.79 50.93 1aoq n ASP 162 Cb 0.61 -0.67 -0.01 0.00 -1.14 0.00 0.00 41.12 39.90 1aoq n ASP 162 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1aoq s TRP 163 N -2.87 2.96 -1.00 2.11 0.52 -1.26 -4.96 118.94 114.45 1aoq s TRP 163 Ca 0.52 1.54 -0.17 0.00 0.02 0.00 0.00 56.10 58.02 1aoq s TRP 163 Cb 0.41 -3.06 0.16 0.00 -1.15 0.00 0.00 33.47 29.83 1aoq s TRP 163 CO 0.13 -1.02 1.17 0.34 0.02 0.00 0.00 176.95 177.59 1aoq s ASP 164 N -2.33 6.78 0.22 2.95 -1.08 -1.26 -4.88 116.67 117.07 1aoq s ASP 164 Ca 0.66 -2.41 -0.08 0.00 -0.52 0.00 0.00 52.55 50.20 1aoq s ASP 164 Cb -0.17 -2.37 0.28 0.00 -1.46 0.00 0.00 42.92 39.20 1aoq s ASP 164 CO 0.28 -0.90 1.80 -0.07 0.52 0.00 0.00 175.17 176.80 1aoq h LEU 165 N 9.83 0.52 -2.21 -1.34 3.38 -1.96 -2.33 115.31 121.21 1aoq h LEU 165 Ca 0.19 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1aoq h LEU 165 Cb 0.98 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1aoq h LEU 165 CO 1.10 0.32 -0.06 -0.33 0.09 0.00 0.00 178.44 179.57 1aoq h GLU 166 N 0.66 0.00 -0.69 1.13 5.08 -1.92 -1.59 114.58 117.24 1aoq h GLU 166 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1aoq h GLU 166 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1aoq h GLU 166 CO -0.22 0.06 0.00 -1.71 -1.00 0.00 0.00 179.01 176.14 1aoq n ASN 167 N -3.47 3.91 -4.81 1.42 5.15 -0.89 -1.66 115.26 114.91 1aoq n ASN 167 Ca -0.02 -2.00 -0.33 0.00 -0.60 0.00 0.00 54.58 51.63 1aoq n ASN 167 Cb 0.18 -0.46 -0.04 0.00 -0.53 0.00 0.00 39.78 38.93 1aoq n ASN 167 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1aoq s LEU 168 N -1.08 3.79 -0.08 1.20 0.20 -0.60 -1.49 118.68 120.62 1aoq s LEU 168 Ca 0.48 1.77 0.05 0.00 0.69 0.00 0.00 54.13 57.12 1aoq s LEU 168 Cb 0.25 -4.54 -0.00 0.00 -0.43 0.00 0.00 46.19 41.47 1aoq s LEU 168 CO 0.34 -0.66 -0.24 -0.36 -0.29 0.00 0.00 176.35 175.13 1aoq s PHE 169 N -2.23 2.50 -0.34 5.38 0.40 -0.23 -0.64 117.98 122.82 1aoq s PHE 169 Ca 0.64 -0.92 -0.11 0.00 -0.60 0.00 0.00 56.93 55.93 1aoq s PHE 169 Cb -0.13 -1.66 -0.00 0.00 0.51 0.00 0.00 43.02 41.74 1aoq s PHE 169 CO 0.22 -0.34 0.19 0.45 0.70 0.00 0.00 175.22 176.44 1aoq s SER 170 N 0.16 5.73 -0.15 1.36 0.15 0.23 -0.99 113.70 120.18 1aoq s SER 170 Ca -0.13 -0.63 -0.02 0.00 0.70 0.00 0.00 55.95 55.87 1aoq s SER 170 Cb -0.16 -2.04 -0.02 0.00 -1.71 0.00 0.00 66.02 62.09 1aoq s SER 170 CO 0.07 -0.26 -0.10 -0.69 1.20 0.00 0.00 173.24 173.46 1aoq s VAL 171 N 1.63 3.27 -0.06 4.45 1.01 0.11 -0.94 120.40 129.86 1aoq s VAL 171 Ca 0.04 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 1aoq s VAL 171 Cb -0.18 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1aoq s VAL 171 CO 0.07 0.50 1.34 -0.89 0.00 0.00 0.00 175.10 176.13 1aoq s THR 172 N 0.56 3.98 -0.94 3.92 2.01 0.40 -0.70 115.64 124.87 1aoq s THR 172 Ca -0.06 1.29 -0.03 0.00 0.31 0.00 0.00 61.69 63.20 1aoq s THR 172 Cb -0.15 -3.83 0.25 0.00 0.01 0.00 0.00 72.50 68.78 1aoq s THR 172 CO 0.03 -0.04 0.96 0.18 -0.69 0.00 0.00 174.62 175.06 1aoq n LEU 173 N 5.83 4.77 0.00 4.42 4.77 -0.39 -1.64 117.00 134.76 1aoq n LEU 173 Ca 0.13 -5.17 0.00 0.00 -0.03 0.00 0.00 56.01 50.95 1aoq n LEU 173 Cb 0.44 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 1aoq n LEU 173 CO 0.57 1.60 0.13 -1.14 -1.33 0.00 0.00 177.39 177.22 1aoq n ARG 174 N 2.04 0.00 -0.01 3.23 0.63 -0.84 -2.74 116.66 118.97 1aoq n ARG 174 Ca 0.24 0.26 0.17 0.00 -0.92 0.00 0.00 57.85 57.60 1aoq n ARG 174 Cb 0.37 -0.55 0.63 0.00 0.45 0.00 0.00 32.46 33.36 1aoq n ARG 174 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1aoq h ASP 175 N 0.00 0.10 0.88 6.15 5.19 -1.82 -1.39 116.42 125.53 1aoq h ASP 175 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1aoq h ASP 175 Cb 0.00 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.49 1aoq h ASP 175 CO 0.00 0.06 0.00 0.00 -3.12 0.00 0.00 179.24 176.18 1aoq n ALA 176 N -2.60 2.37 -2.75 3.45 0.00 -1.11 -4.68 120.51 115.20 1aoq n ALA 176 Ca 0.09 -0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 1aoq n ALA 176 Cb 0.51 -1.47 0.02 0.00 0.00 0.00 0.00 19.45 18.50 1aoq n ALA 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aoq n GLY 177 N 1.43 -0.21 3.51 0.00 0.00 -0.52 -4.75 105.19 104.66 1aoq n GLY 177 Ca 0.09 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1aoq n GLY 177 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aoq s GLN 178 N -5.30 1.76 0.01 1.61 -0.21 -1.14 -1.06 119.66 115.33 1aoq s GLN 178 Ca 0.19 -1.99 0.02 0.00 0.02 0.00 0.00 55.36 53.61 1aoq s GLN 178 Cb -0.09 -1.13 -0.01 0.00 1.00 0.00 0.00 33.01 32.78 1aoq s GLN 178 CO 0.24 -0.14 -0.06 0.96 -2.12 0.00 0.00 175.29 174.16 1aoq s ILE 179 N -3.09 0.48 -0.15 1.08 -4.36 -0.37 -1.26 121.20 113.53 1aoq s ILE 179 Ca 0.36 -0.49 -0.03 0.00 -0.26 0.00 0.00 60.65 60.23 1aoq s ILE 179 Cb 0.09 -0.45 -0.02 0.00 1.25 0.00 0.00 42.46 43.33 1aoq s ILE 179 CO 0.16 -0.02 -0.06 0.00 0.24 0.00 0.00 174.94 175.27 1aoq s ALA 180 N -0.50 2.90 -0.37 2.27 0.00 0.13 -0.63 121.76 125.56 1aoq s ALA 180 Ca -0.01 -0.86 -0.16 0.00 0.00 0.00 0.00 51.96 50.93 1aoq s ALA 180 Cb -0.04 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.58 1aoq s ALA 180 CO -0.00 0.17 0.36 -0.51 0.00 0.00 0.00 175.76 175.79 1aoq s LEU 181 N 0.44 4.63 -0.10 0.00 1.43 0.17 -0.71 118.68 124.55 1aoq s LEU 181 Ca -0.05 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 1aoq s LEU 181 Cb -0.15 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 1aoq s LEU 181 CO 0.03 -0.41 -0.18 -0.63 0.23 0.00 0.00 176.35 175.40 1aoq s ILE 182 N 1.99 2.64 0.14 -0.59 1.01 -0.17 0.12 121.20 126.34 1aoq s ILE 182 Ca 0.11 -0.83 -0.31 0.00 0.00 0.00 0.00 60.65 59.62 1aoq s ILE 182 Cb -0.17 -2.05 -0.10 0.00 0.01 0.00 0.00 42.46 40.15 1aoq s ILE 182 CO 0.12 0.55 1.62 -0.62 0.00 0.00 0.00 174.94 176.61 1aoq s ASP 183 N 0.11 6.57 0.44 3.58 -1.08 0.24 -1.07 116.67 125.46 1aoq s ASP 183 Ca -0.09 2.60 0.30 0.00 -0.52 0.00 0.00 52.55 54.85 1aoq s ASP 183 Cb -0.15 -2.58 1.21 0.00 -1.46 0.00 0.00 42.92 39.94 1aoq s ASP 183 CO 0.05 -0.87 1.88 1.23 0.52 0.00 0.00 175.17 177.99 1aoq h GLY 184 N 7.47 0.00 0.00 2.66 0.00 -1.59 -0.23 103.07 111.37 1aoq h GLY 184 Ca -0.43 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.68 1aoq h GLY 184 CO 0.92 0.00 -1.82 -1.14 0.00 0.00 0.00 176.54 174.50 1aoq n SER 185 N -2.79 2.57 0.02 0.19 3.41 -1.26 -4.64 113.62 111.12 1aoq n SER 185 Ca 0.01 -0.05 0.11 0.00 -0.26 0.00 0.00 58.87 58.69 1aoq n SER 185 Cb 0.29 0.18 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 1aoq n SER 185 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1aoq n THR 186 N -2.73 0.14 -1.32 6.66 -2.24 -1.25 -4.96 114.28 108.59 1aoq n THR 186 Ca -0.23 -0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 61.14 1aoq n THR 186 Cb 0.82 0.22 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 1aoq n THR 186 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1aoq n TYR 187 N -2.03 0.00 -2.70 4.78 4.01 -0.10 -4.97 117.16 116.15 1aoq n TYR 187 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 1aoq n TYR 187 Cb 0.46 -2.22 -0.04 0.00 -0.31 0.00 0.00 39.34 37.23 1aoq n TYR 187 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1aoq s GLU 188 N -2.78 4.63 -0.60 -0.72 2.12 -1.25 -4.71 118.70 115.38 1aoq s GLU 188 Ca 0.00 1.46 -0.27 0.00 0.36 0.00 0.00 54.97 56.52 1aoq s GLU 188 Cb 0.00 -3.41 0.01 0.00 0.26 0.00 0.00 34.13 31.00 1aoq s GLU 188 CO 0.00 0.08 1.45 0.42 -0.54 0.00 0.00 175.26 176.67 1aoq s ILE 189 N 0.45 3.71 0.26 -3.70 1.01 -1.26 -0.59 121.20 121.08 1aoq s ILE 189 Ca 0.50 0.56 0.03 0.00 0.00 0.00 0.00 60.65 61.73 1aoq s ILE 189 Cb -0.23 -4.46 0.02 0.00 0.01 0.00 0.00 42.46 37.81 1aoq s ILE 189 CO 0.29 -1.26 1.66 0.11 0.00 0.00 0.00 174.94 175.74 1aoq h LYS 190 N 11.40 0.38 -1.57 2.79 1.79 -0.68 -3.47 116.57 127.21 1aoq h LYS 190 Ca -0.27 -0.18 0.13 0.00 -2.18 0.00 0.00 60.65 58.15 1aoq h LYS 190 Cb 1.09 -0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.52 1aoq h LYS 190 CO 1.20 0.72 0.64 -0.08 -1.08 0.00 0.00 179.45 180.85 1aoq s THR 191 N -4.20 0.00 -0.14 -0.16 -1.32 -1.14 -5.01 115.64 103.67 1aoq s THR 191 Ca -0.06 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.44 1aoq s THR 191 Cb 0.13 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.14 1aoq s THR 191 CO 0.79 0.00 -0.18 -0.69 -2.21 0.00 0.00 174.62 172.33 1aoq s VAL 192 N -1.54 1.83 -0.02 5.08 1.01 -1.26 -0.65 120.40 124.85 1aoq s VAL 192 Ca 0.02 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1aoq s VAL 192 Cb -0.01 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1aoq s VAL 192 CO -0.02 0.50 -0.07 -0.76 0.00 0.00 0.00 175.10 174.75 1aoq s LEU 193 N 1.12 3.14 -0.14 3.92 1.43 0.20 -4.95 118.68 123.40 1aoq s LEU 193 Ca -0.01 -0.12 -0.07 0.00 -1.03 0.00 0.00 54.13 52.89 1aoq s LEU 193 Cb -0.14 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1aoq s LEU 193 CO -0.06 0.31 0.12 -1.81 0.23 0.00 0.00 176.35 175.14 1aoq s ASP 194 N -1.23 6.24 0.00 2.29 1.11 -1.26 -1.24 116.67 122.57 1aoq s ASP 194 Ca 0.16 0.38 0.00 0.00 0.18 0.00 0.00 52.55 53.26 1aoq s ASP 194 Cb -0.11 -2.03 0.00 0.00 1.07 0.00 0.00 42.92 41.85 1aoq s ASP 194 CO 0.06 0.34 0.26 0.35 1.18 0.00 0.00 175.17 177.36 1aoq n THR 195 N 2.41 0.00 0.00 -1.27 -2.24 -0.22 -5.00 114.28 107.96 1aoq n THR 195 Ca -0.19 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1aoq n THR 195 Cb 0.54 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 1aoq n THR 195 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aoq n GLY 196 N 0.26 2.13 3.48 3.38 0.00 -1.15 -5.00 105.19 108.28 1aoq n GLY 196 Ca 0.00 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 1aoq n GLY 196 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aoq s TYR 197 N 0.00 2.26 -0.24 1.61 1.51 -1.26 -4.40 117.35 116.82 1aoq s TYR 197 Ca 0.00 -0.41 -0.22 0.00 -1.01 0.00 0.00 57.07 55.42 1aoq s TYR 197 Cb 0.00 -1.08 -0.10 0.00 -0.11 0.00 0.00 41.96 40.67 1aoq s TYR 197 CO 0.00 0.63 0.81 0.00 -1.11 0.00 0.00 175.55 175.88 1aoq n ALA 198 N -0.64 -0.55 -2.38 3.71 0.00 -1.25 -4.52 120.51 114.88 1aoq n ALA 198 Ca -0.05 0.22 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 1aoq n ALA 198 Cb 0.61 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 19.07 1aoq n ALA 198 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1aoq s VAL 199 N 1.65 4.79 -0.22 0.00 1.01 -1.26 -0.32 120.40 126.04 1aoq s VAL 199 Ca 0.51 1.37 -0.12 0.00 0.00 0.00 0.00 61.98 63.74 1aoq s VAL 199 Cb -0.72 -3.99 -0.18 0.00 0.00 0.00 0.00 36.38 31.49 1aoq s VAL 199 CO 0.38 0.44 -0.01 1.57 0.00 0.00 0.00 175.10 177.49 1aoq n HIS 200 N 2.46 0.58 -3.93 5.22 -0.00 -0.01 -4.80 115.22 114.74 1aoq n HIS 200 Ca -0.06 0.19 -0.08 0.00 0.46 0.00 0.00 57.72 58.23 1aoq n HIS 200 Cb 0.51 -1.07 -0.08 0.00 -0.12 0.00 0.00 29.99 29.23 1aoq n HIS 200 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1aoq s ILE 201 N -2.47 0.16 -0.06 3.57 -4.36 -1.26 -4.79 121.20 111.99 1aoq s ILE 201 Ca -0.32 -1.34 0.05 0.00 -0.26 0.00 0.00 60.65 58.78 1aoq s ILE 201 Cb 0.09 -1.31 -0.02 0.00 1.25 0.00 0.00 42.46 42.47 1aoq s ILE 201 CO 0.60 -0.74 -0.19 -0.44 0.24 0.00 0.00 174.94 174.40 1aoq s SER 202 N -2.74 3.57 0.05 4.36 0.01 -1.26 -2.82 113.70 114.86 1aoq s SER 202 Ca 0.04 -0.35 0.03 0.00 1.31 0.00 0.00 55.95 56.97 1aoq s SER 202 Cb 0.05 -0.85 -0.03 0.00 0.21 0.00 0.00 66.02 65.40 1aoq s SER 202 CO -0.10 0.29 -0.09 -0.13 0.41 0.00 0.00 173.24 173.63 1aoq s ARG 203 N -0.41 0.58 0.02 12.44 1.81 0.19 -4.93 118.95 128.65 1aoq s ARG 203 Ca 0.04 -0.80 0.04 0.00 -1.72 0.00 0.00 55.73 53.28 1aoq s ARG 203 Cb -0.12 -0.38 -0.03 0.00 -0.45 0.00 0.00 34.95 33.97 1aoq s ARG 203 CO 0.02 0.07 -0.07 -0.51 -0.68 0.00 0.00 175.30 174.13 1aoq s LEU 204 N -1.64 3.15 0.81 2.53 2.01 -1.26 -0.25 118.68 124.03 1aoq s LEU 204 Ca -0.08 -0.18 -0.10 0.00 0.01 0.00 0.00 54.13 53.77 1aoq s LEU 204 Cb -0.10 -1.82 0.08 0.00 0.01 0.00 0.00 46.19 44.36 1aoq s LEU 204 CO 0.01 0.27 1.10 -0.94 1.01 0.00 0.00 176.35 177.80 1aoq s SER 205 N -1.54 4.07 0.57 2.29 1.04 0.02 -4.66 113.70 115.49 1aoq s SER 205 Ca 0.18 1.89 0.25 0.00 0.48 0.00 0.00 55.95 58.75 1aoq s SER 205 Cb -0.11 -2.52 1.60 0.00 0.10 0.00 0.00 66.02 65.09 1aoq s SER 205 CO 0.09 -2.32 2.17 0.00 0.98 0.00 0.00 173.24 174.16 1aoq h ALA 206 N -1.33 1.79 0.00 5.32 0.00 -1.87 -0.01 119.26 123.17 1aoq h ALA 206 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1aoq h ALA 206 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1aoq h ALA 206 CO 0.49 -0.11 -0.16 0.66 0.00 0.00 0.00 179.25 180.13 1aoq h SER 207 N 0.00 0.00 0.00 0.00 4.64 -1.92 -3.48 113.55 112.79 1aoq h SER 207 Ca 0.04 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1aoq h SER 207 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1aoq h SER 207 CO -0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1aoq n GLY 208 N 1.22 0.76 0.14 -0.77 0.00 -0.02 -4.93 105.19 101.59 1aoq n GLY 208 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1aoq n GLY 208 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1aoq h ARG 209 N 2.74 0.40 -5.26 1.61 2.43 -1.92 -3.47 114.38 110.92 1aoq h ARG 209 Ca 0.00 -0.69 -0.61 0.00 -0.81 0.00 0.00 59.98 57.87 1aoq h ARG 209 Cb 0.00 0.26 -0.14 0.00 -0.42 0.00 0.00 29.97 29.67 1aoq h ARG 209 CO 0.00 1.33 -0.52 0.71 -1.51 0.00 0.00 179.97 179.98 1aoq s TYR 210 N -2.55 3.34 -0.28 2.20 2.02 -1.26 -1.38 117.35 119.44 1aoq s TYR 210 Ca -0.14 0.22 -0.10 0.00 -0.37 0.00 0.00 57.07 56.68 1aoq s TYR 210 Cb 0.04 -2.13 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 1aoq s TYR 210 CO 0.86 0.22 0.14 -1.17 -1.57 0.00 0.00 175.55 174.04 1aoq s LEU 211 N 0.40 3.85 -0.13 -1.29 2.96 -0.17 -0.80 118.68 123.51 1aoq s LEU 211 Ca 0.06 -0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 53.75 1aoq s LEU 211 Cb -0.12 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 1aoq s LEU 211 CO -0.01 -0.08 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.58 1aoq s PHE 212 N 1.68 3.13 -0.00 5.38 0.40 0.66 -0.11 117.98 129.11 1aoq s PHE 212 Ca 0.06 -0.01 0.04 0.00 -0.60 0.00 0.00 56.93 56.43 1aoq s PHE 212 Cb -0.16 -1.90 -0.01 0.00 0.51 0.00 0.00 43.02 41.45 1aoq s PHE 212 CO 0.08 0.23 -0.13 0.14 0.70 0.00 0.00 175.22 176.23 1aoq s VAL 213 N -0.19 1.02 -0.19 -0.44 -7.23 -0.61 -0.63 120.40 112.13 1aoq s VAL 213 Ca 0.05 -0.60 -0.02 0.00 -1.81 0.00 0.00 61.98 59.60 1aoq s VAL 213 Cb -0.13 -0.86 -0.01 0.00 0.56 0.00 0.00 36.38 35.95 1aoq s VAL 213 CO 0.02 0.25 -0.09 -0.51 -0.31 0.00 0.00 175.10 174.46 1aoq s ILE 214 N -0.37 3.08 0.37 -0.62 1.10 -1.13 -1.75 121.20 121.89 1aoq s ILE 214 Ca 0.05 -0.60 -0.17 0.00 -0.51 0.00 0.00 60.65 59.41 1aoq s ILE 214 Cb -0.05 -2.36 -0.09 0.00 0.15 0.00 0.00 42.46 40.10 1aoq s ILE 214 CO -0.00 0.47 0.81 -0.83 -2.11 0.00 0.00 174.94 173.28 1aoq s GLY 215 N 1.18 2.32 0.64 1.50 0.00 0.92 -0.83 107.32 113.04 1aoq s GLY 215 Ca 0.02 0.14 0.41 0.00 0.00 0.00 0.00 44.72 45.29 1aoq s GLY 215 CO -0.03 0.37 2.30 3.21 0.00 0.00 0.00 173.10 178.96 1aoq h ARG 216 N 2.04 0.00 -0.10 2.90 3.08 -0.78 -0.66 114.38 120.87 1aoq h ARG 216 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1aoq h ARG 216 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1aoq h ARG 216 CO 0.64 0.01 0.00 -0.40 -1.07 0.00 0.00 179.97 179.14 1aoq n ASP 217 N -3.20 1.10 0.00 7.04 5.75 -1.26 -1.13 116.55 124.85 1aoq n ASP 217 Ca -0.03 -1.58 0.00 0.00 -0.01 0.00 0.00 54.79 53.18 1aoq n ASP 217 Cb 0.11 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 1aoq n ASP 217 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aoq n GLY 218 N 1.03 0.72 3.70 6.12 0.00 -0.25 -4.23 105.19 112.27 1aoq n GLY 218 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1aoq n GLY 218 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aoq s LYS 219 N -0.71 4.41 -0.14 1.61 2.47 -1.25 -1.06 119.74 125.07 1aoq s LYS 219 Ca 0.00 0.96 -0.03 0.00 -1.56 0.00 0.00 55.97 55.34 1aoq s LYS 219 Cb 0.00 -3.48 -0.03 0.00 -1.46 0.00 0.00 37.83 32.86 1aoq s LYS 219 CO 0.00 -0.05 -0.04 0.08 0.16 0.00 0.00 175.35 175.50 1aoq s VAL 220 N 1.17 3.92 -0.02 4.02 1.01 0.96 -0.05 120.40 131.41 1aoq s VAL 220 Ca 0.39 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 62.08 1aoq s VAL 220 Cb -0.18 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1aoq s VAL 220 CO 0.18 0.52 -0.23 0.20 0.00 0.00 0.00 175.10 175.76 1aoq s ASN 221 N 0.10 2.74 -0.17 3.32 0.01 -0.72 -1.57 114.94 118.66 1aoq s ASN 221 Ca -0.01 -0.43 0.00 0.00 -0.71 0.00 0.00 52.86 51.72 1aoq s ASN 221 Cb -0.13 -0.36 0.01 0.00 0.41 0.00 0.00 41.25 41.17 1aoq s ASN 221 CO 0.03 0.28 -0.16 -0.32 -1.51 0.00 0.00 177.10 175.41 1aoq s MET 222 N -0.49 3.14 -0.12 -0.60 -2.45 -0.21 -1.57 119.30 117.00 1aoq s MET 222 Ca 0.07 -0.77 0.00 0.00 -1.25 0.00 0.00 55.69 53.74 1aoq s MET 222 Cb -0.09 -2.62 -0.02 0.00 1.25 0.00 0.00 34.83 33.35 1aoq s MET 222 CO -0.00 -0.07 -0.13 0.42 1.05 0.00 0.00 175.02 176.28 1aoq s ILE 223 N 1.01 3.05 -0.53 10.11 1.01 0.84 -0.01 121.20 136.68 1aoq s ILE 223 Ca -0.02 -0.67 -0.21 0.00 0.00 0.00 0.00 60.65 59.75 1aoq s ILE 223 Cb -0.15 -2.27 0.06 0.00 0.01 0.00 0.00 42.46 40.11 1aoq s ILE 223 CO -0.04 0.53 0.75 -0.62 0.00 0.00 0.00 174.94 175.56 1aoq s ASP 224 N 0.19 6.26 0.00 3.58 -1.08 -1.06 -1.00 116.67 123.57 1aoq s ASP 224 Ca -0.08 -0.76 0.18 0.00 -0.52 0.00 0.00 52.55 51.37 1aoq s ASP 224 Cb -0.15 -2.34 0.94 0.00 -1.46 0.00 0.00 42.92 39.91 1aoq s ASP 224 CO 0.05 -1.04 1.52 0.18 0.52 0.00 0.00 175.17 176.41 1aoq n LEU 225 N 6.67 0.00 0.04 -1.34 4.77 -0.48 -2.81 117.00 123.86 1aoq n LEU 225 Ca -0.04 0.22 0.12 0.00 -0.03 0.00 0.00 56.01 56.28 1aoq n LEU 225 Cb 0.46 -0.22 0.16 0.00 -2.33 0.00 0.00 43.42 41.49 1aoq n LEU 225 CO 0.58 -0.09 0.30 0.79 -1.33 0.00 0.00 177.39 177.63 1aoq n TRP 226 N -1.22 0.40 -1.75 -1.77 7.02 -1.26 -4.83 117.44 114.03 1aoq n TRP 226 Ca 0.10 0.12 -0.34 0.00 -1.02 0.00 0.00 57.50 56.35 1aoq n TRP 226 Cb 0.12 -0.54 0.06 0.00 -2.42 0.00 0.00 31.31 28.53 1aoq n TRP 226 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1aoq s MET 227 N -3.14 2.66 0.26 -0.99 -1.94 -1.12 -0.10 119.30 114.92 1aoq s MET 227 Ca 0.07 1.62 -0.03 0.00 -1.71 0.00 0.00 55.69 55.63 1aoq s MET 227 Cb 0.14 -1.91 0.40 0.00 2.01 0.00 0.00 34.83 35.47 1aoq s MET 227 CO 0.73 -1.40 1.86 -0.22 -0.01 0.00 0.00 175.02 175.98 1aoq h LYS 228 N 0.20 1.00 -3.54 2.03 3.64 -1.92 -3.26 116.57 114.72 1aoq h LYS 228 Ca -0.48 -0.06 -0.62 0.00 -1.27 0.00 0.00 60.65 58.22 1aoq h LYS 228 Cb 1.27 -0.22 -0.40 0.00 -0.41 0.00 0.00 32.23 32.47 1aoq h LYS 228 CO 0.53 0.66 -0.73 -1.21 -2.27 0.00 0.00 179.45 176.43 1aoq s GLU 229 N -6.04 1.23 0.18 1.90 2.02 -1.26 -4.70 118.70 112.04 1aoq s GLU 229 Ca -0.12 -1.77 -0.33 0.00 0.02 0.00 0.00 54.97 52.76 1aoq s GLU 229 Cb 0.20 -2.52 -0.14 0.00 0.10 0.00 0.00 34.13 31.77 1aoq s GLU 229 CO 0.80 -1.06 1.51 -2.30 0.02 0.00 0.00 175.26 174.23 1aoq n PRO 230 N 4.03 2.03 -4.04 0.39 -0.02 -1.23 -4.98 135.00 131.19 1aoq n PRO 230 Ca 0.04 0.73 -0.13 0.00 -2.02 0.00 0.00 63.50 62.12 1aoq n PRO 230 Cb 0.38 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 1aoq n PRO 230 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1aoq s THR 231 N 0.59 0.00 0.02 3.45 -1.32 -1.26 -4.97 115.64 112.14 1aoq s THR 231 Ca 0.76 -1.49 -0.30 0.00 -1.21 0.00 0.00 61.69 59.45 1aoq s THR 231 Cb -0.69 -2.60 -0.06 0.00 -1.51 0.00 0.00 72.50 67.64 1aoq s THR 231 CO 0.42 0.00 1.42 -0.89 -2.21 0.00 0.00 174.62 173.36 1aoq s THR 232 N -3.13 3.62 -0.56 5.08 2.01 -1.26 -2.55 115.64 118.84 1aoq s THR 232 Ca 0.27 1.03 0.21 0.00 0.31 0.00 0.00 61.69 63.51 1aoq s THR 232 Cb -0.01 -3.66 -0.27 0.00 0.01 0.00 0.00 72.50 68.57 1aoq s THR 232 CO 0.17 0.01 0.70 1.33 -0.69 0.00 0.00 174.62 176.13 1aoq n VAL 233 N 4.59 0.00 -3.56 3.82 0.24 0.99 -4.74 118.33 119.66 1aoq n VAL 233 Ca 0.13 -0.22 -0.14 0.00 -2.04 0.00 0.00 64.34 62.07 1aoq n VAL 233 Cb 0.43 0.57 -0.06 0.00 -1.47 0.00 0.00 33.84 33.32 1aoq n VAL 233 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1aoq s ALA 234 N -3.18 -1.85 0.05 2.33 0.00 -1.20 -0.33 121.76 117.60 1aoq s ALA 234 Ca 0.01 1.54 -0.06 0.00 0.00 0.00 0.00 51.96 53.45 1aoq s ALA 234 Cb 0.15 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 1aoq s ALA 234 CO 0.86 -0.33 0.12 -1.83 0.00 0.00 0.00 175.76 174.58 1aoq s GLU 235 N -0.86 0.67 -0.10 0.00 -1.05 -0.05 -1.05 118.70 116.26 1aoq s GLU 235 Ca -0.05 -0.83 -0.30 0.00 -0.15 0.00 0.00 54.97 53.63 1aoq s GLU 235 Cb -0.01 0.26 0.10 0.00 -0.44 0.00 0.00 34.13 34.04 1aoq s GLU 235 CO 0.05 -0.18 0.82 -1.50 0.95 0.00 0.00 175.26 175.40 1aoq s ILE 236 N -3.03 0.00 -0.15 1.83 2.07 -0.61 -1.39 121.20 119.92 1aoq s ILE 236 Ca -0.01 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.17 1aoq s ILE 236 Cb 0.01 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.56 1aoq s ILE 236 CO -0.07 0.00 0.06 -0.75 -1.91 0.00 0.00 174.94 172.28 1aoq s LYS 237 N -1.22 3.64 0.00 3.50 2.20 -1.26 -0.03 119.74 126.57 1aoq s LYS 237 Ca -0.06 -0.32 0.02 0.00 -0.36 0.00 0.00 55.97 55.25 1aoq s LYS 237 Cb -0.00 -3.11 0.02 0.00 -1.51 0.00 0.00 37.83 33.24 1aoq s LYS 237 CO 0.06 0.47 0.66 0.44 -0.36 0.00 0.00 175.35 176.62 1aoq n ILE 238 N 2.90 0.18 -3.26 5.43 -6.64 -0.22 -4.45 119.36 113.30 1aoq n ILE 238 Ca -0.18 -0.59 0.00 0.00 -1.77 0.00 0.00 62.75 60.21 1aoq n ILE 238 Cb 0.53 0.94 0.00 0.00 -1.44 0.00 0.00 39.64 39.67 1aoq n ILE 238 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1aoq n GLY 239 N 0.04 -1.04 0.05 3.28 0.00 -1.26 -4.82 105.19 101.45 1aoq n GLY 239 Ca 0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 46.02 45.16 1aoq n GLY 239 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1aoq n SER 240 N 0.53 1.14 -3.70 1.61 7.64 0.60 -4.31 113.62 117.12 1aoq n SER 240 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.71 1aoq n SER 240 Cb 0.00 1.20 -0.16 0.00 -1.01 0.00 0.00 64.21 64.23 1aoq n SER 240 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1aoq s GLU 241 N -2.66 -0.02 0.01 1.43 0.41 -0.79 -4.21 118.70 112.88 1aoq s GLU 241 Ca -0.07 0.39 -0.11 0.00 -0.41 0.00 0.00 54.97 54.77 1aoq s GLU 241 Cb 0.07 -0.35 0.01 0.00 -1.78 0.00 0.00 34.13 32.08 1aoq s GLU 241 CO 0.66 -0.27 0.23 0.00 -0.49 0.00 0.00 175.26 175.39 1aoq s ALA 242 N 1.85 -0.52 0.00 5.21 0.00 -0.28 -0.07 121.76 127.96 1aoq s ALA 242 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1aoq s ALA 242 Cb -0.12 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1aoq s ALA 242 CO -0.04 -0.29 0.01 0.54 0.00 0.00 0.00 175.76 175.98 1aoq n ARG 243 N 1.09 0.22 -4.13 0.00 5.12 -1.20 -3.85 116.66 113.91 1aoq n ARG 243 Ca -0.21 -0.01 -0.14 0.00 -1.93 0.00 0.00 57.85 55.56 1aoq n ARG 243 Cb 0.57 -0.22 -0.11 0.00 -1.16 0.00 0.00 32.46 31.54 1aoq n ARG 243 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1aoq s SER 244 N -0.03 1.17 0.02 0.55 1.04 -1.24 -4.60 113.70 110.61 1aoq s SER 244 Ca 0.00 -0.71 -0.26 0.00 0.48 0.00 0.00 55.95 55.47 1aoq s SER 244 Cb 0.00 0.03 0.06 0.00 0.10 0.00 0.00 66.02 66.21 1aoq s SER 244 CO 0.00 -0.25 0.59 -0.51 0.98 0.00 0.00 173.24 174.05 1aoq s ILE 245 N -2.03 0.01 0.19 -1.02 2.07 -1.26 -1.09 121.20 118.07 1aoq s ILE 245 Ca -0.01 -0.12 -0.22 0.00 -1.41 0.00 0.00 60.65 58.89 1aoq s ILE 245 Cb -0.05 -0.97 0.05 0.00 0.13 0.00 0.00 42.46 41.62 1aoq s ILE 245 CO -0.00 -0.06 0.62 -0.70 -1.91 0.00 0.00 174.94 172.88 1aoq s GLU 246 N -2.06 1.40 0.24 3.50 2.56 -0.13 -4.84 118.70 119.38 1aoq s GLU 246 Ca -0.07 -0.64 0.11 0.00 0.00 0.00 0.00 54.97 54.37 1aoq s GLU 246 Cb -0.01 0.58 -0.05 0.00 2.00 0.00 0.00 34.13 36.66 1aoq s GLU 246 CO 0.02 -0.62 -0.15 0.95 -0.56 0.00 0.00 175.26 174.90 1aoq s THR 247 N -3.80 2.77 0.09 -1.70 -4.23 -1.26 -0.56 115.64 106.95 1aoq s THR 247 Ca 0.04 -2.09 -0.31 0.00 -1.18 0.00 0.00 61.69 58.15 1aoq s THR 247 Cb -0.02 -2.42 -0.08 0.00 1.34 0.00 0.00 72.50 71.33 1aoq s THR 247 CO -0.07 -0.28 1.42 -0.94 -0.54 0.00 0.00 174.62 174.21 1aoq s SER 248 N -3.23 6.80 -0.03 3.99 1.04 -0.59 -4.68 113.70 117.00 1aoq s SER 248 Ca 0.27 2.31 0.04 0.00 0.48 0.00 0.00 55.95 59.05 1aoq s SER 248 Cb -0.07 -2.58 0.06 0.00 0.10 0.00 0.00 66.02 63.54 1aoq s SER 248 CO 0.15 -0.69 1.00 0.29 0.98 0.00 0.00 173.24 174.97 1aoq n LYS 249 N 4.35 2.34 -2.73 4.02 5.02 -1.26 -4.23 118.16 125.67 1aoq n LYS 249 Ca 0.12 -1.66 -0.41 0.00 -2.02 0.00 0.00 58.31 54.34 1aoq n LYS 249 Cb 0.42 -1.06 -0.04 0.00 -0.02 0.00 0.00 35.03 34.33 1aoq n LYS 249 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1aoq s MET 250 N -1.32 4.65 0.15 1.97 1.75 -1.20 -4.59 119.30 120.71 1aoq s MET 250 Ca 0.07 1.44 -0.34 0.00 -1.25 0.00 0.00 55.69 55.60 1aoq s MET 250 Cb 0.06 -3.40 -0.15 0.00 2.84 0.00 0.00 34.83 34.18 1aoq s MET 250 CO 0.01 0.13 1.47 -1.91 -0.65 0.00 0.00 175.02 174.07 1aoq n GLU 251 N 3.16 1.81 0.00 4.11 2.13 -1.26 -0.46 120.64 130.13 1aoq n GLU 251 Ca 0.03 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.51 1aoq n GLU 251 Cb 0.50 -2.36 0.00 0.00 0.27 0.00 0.00 31.44 29.85 1aoq n GLU 251 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1aoq n GLY 252 N 2.96 1.12 0.57 8.31 0.00 -1.26 -4.88 105.19 112.01 1aoq n GLY 252 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 1aoq n GLY 252 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1aoq n TRP 253 N -2.00 0.53 -1.71 1.61 7.02 0.40 -5.01 117.44 118.28 1aoq n TRP 253 Ca 0.00 -1.00 -0.43 0.00 -1.02 0.00 0.00 57.50 55.05 1aoq n TRP 253 Cb 0.00 -0.26 -0.03 0.00 -2.42 0.00 0.00 31.31 28.60 1aoq n TRP 253 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1aoq n GLU 254 N -0.96 2.63 -0.97 -0.99 4.71 -1.25 -1.95 120.64 121.87 1aoq n GLU 254 Ca 0.20 0.95 0.00 0.00 -0.01 0.00 0.00 57.16 58.30 1aoq n GLU 254 Cb 0.79 -2.76 0.00 0.00 -1.01 0.00 0.00 31.44 28.46 1aoq n GLU 254 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1aoq n ASP 255 N 3.50 -4.73 -0.00 1.62 8.00 -1.26 -4.88 116.55 118.79 1aoq n ASP 255 Ca 0.15 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.47 1aoq n ASP 255 Cb 0.34 -2.61 -0.10 0.00 -0.02 0.00 0.00 41.12 38.73 1aoq n ASP 255 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1aoq h LYS 256 N 0.32 0.47 -4.18 -1.24 1.63 -1.71 -3.36 116.57 108.51 1aoq h LYS 256 Ca 0.00 -0.47 -0.14 0.00 -0.85 0.00 0.00 60.65 59.20 1aoq h LYS 256 Cb 0.66 0.12 -0.14 0.00 -0.60 0.00 0.00 32.23 32.27 1aoq h LYS 256 CO 0.00 1.11 -0.55 0.71 -3.45 0.00 0.00 179.45 177.27 1aoq s TYR 257 N -3.35 0.57 0.05 1.91 2.02 -1.26 -0.75 117.35 116.54 1aoq s TYR 257 Ca -0.13 -1.00 0.02 0.00 -0.37 0.00 0.00 57.07 55.60 1aoq s TYR 257 Cb 0.04 -0.31 -0.03 0.00 -0.40 0.00 0.00 41.96 41.27 1aoq s TYR 257 CO 0.83 -0.53 -0.08 0.00 -1.57 0.00 0.00 175.55 174.21 1aoq s ALA 258 N -3.97 0.64 0.01 3.71 0.00 -0.50 -1.55 121.76 120.10 1aoq s ALA 258 Ca 0.15 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1aoq s ALA 258 Cb 0.06 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 1aoq s ALA 258 CO -0.04 -0.05 -0.05 -1.50 0.00 0.00 0.00 175.76 174.12 1aoq s ILE 259 N -1.73 0.39 0.03 0.00 2.07 0.28 -0.07 121.20 122.18 1aoq s ILE 259 Ca -0.07 -0.41 0.06 0.00 -1.41 0.00 0.00 60.65 58.82 1aoq s ILE 259 Cb -0.08 -0.37 -0.02 0.00 0.13 0.00 0.00 42.46 42.12 1aoq s ILE 259 CO -0.00 -0.02 -0.16 0.00 -1.91 0.00 0.00 174.94 172.84 1aoq s ALA 260 N -0.42 1.37 0.02 1.50 0.00 -0.36 -0.96 121.76 122.91 1aoq s ALA 260 Ca -0.01 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.12 1aoq s ALA 260 Cb -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1aoq s ALA 260 CO -0.00 0.29 -0.13 0.20 0.00 0.00 0.00 175.76 176.11 1aoq s GLY 261 N -1.06 1.64 0.11 0.00 0.00 -0.25 -0.80 107.32 106.96 1aoq s GLY 261 Ca 0.04 -1.11 0.07 0.00 0.00 0.00 0.00 44.72 43.73 1aoq s GLY 261 CO 0.01 -0.98 -0.19 0.00 0.00 0.00 0.00 173.10 171.95 1aoq s ALA 262 N -0.94 1.69 -0.10 3.20 0.00 -0.21 -3.25 121.76 122.15 1aoq s ALA 262 Ca 0.15 -1.24 -0.17 0.00 0.00 0.00 0.00 51.96 50.70 1aoq s ALA 262 Cb -0.11 -0.19 -0.27 0.00 0.00 0.00 0.00 23.12 22.55 1aoq s ALA 262 CO 0.06 0.28 0.58 1.88 0.00 0.00 0.00 175.76 178.56 1aoq h TYR 263 N 3.94 0.41 -3.22 0.00 0.05 -0.73 -2.63 116.97 114.79 1aoq h TYR 263 Ca -0.44 -0.30 -0.29 0.00 0.05 0.00 0.00 58.73 57.75 1aoq h TYR 263 Cb 1.19 -0.02 -0.35 0.00 1.01 0.00 0.00 36.73 38.56 1aoq h TYR 263 CO 0.63 1.51 -0.65 -0.46 -1.05 0.00 0.00 178.16 178.14 1aoq s TRP 264 N -2.46 -0.12 0.84 4.88 -0.11 -1.01 -3.48 118.94 117.49 1aoq s TRP 264 Ca -0.20 0.47 -0.11 0.00 1.22 0.00 0.00 56.10 57.48 1aoq s TRP 264 Cb 0.04 -0.23 0.10 0.00 -1.50 0.00 0.00 33.47 31.87 1aoq s TRP 264 CO 0.76 -0.21 1.09 -2.14 -4.62 0.00 0.00 176.95 171.83 1aoq s PRO 265 N 1.79 1.71 -0.64 5.86 0.02 -1.26 -0.30 135.00 142.18 1aoq s PRO 265 Ca -0.02 0.97 -0.27 0.00 0.02 0.00 0.00 61.00 61.70 1aoq s PRO 265 Cb -0.12 -1.85 -0.00 0.00 0.02 0.00 0.00 34.50 32.55 1aoq s PRO 265 CO -0.05 -1.97 1.62 -2.14 -0.33 0.00 0.00 177.00 174.13 1aoq s PRO 266 N -4.92 2.91 0.01 5.54 0.02 -1.23 -4.60 135.00 132.73 1aoq s PRO 266 Ca 0.62 0.34 -0.29 0.00 0.02 0.00 0.00 61.00 61.70 1aoq s PRO 266 Cb -0.18 -4.28 0.10 0.00 0.02 0.00 0.00 34.50 30.16 1aoq s PRO 266 CO 0.56 -2.43 1.00 1.14 -0.33 0.00 0.00 177.00 176.95 1aoq s GLN 267 N 6.40 0.81 0.13 5.54 -2.07 -1.25 -1.17 119.66 128.06 1aoq s GLN 267 Ca 0.55 -0.37 0.07 0.00 -1.82 0.00 0.00 55.36 53.80 1aoq s GLN 267 Cb -0.11 0.33 -0.04 0.00 -1.09 0.00 0.00 33.01 32.10 1aoq s GLN 267 CO 0.20 -0.36 -0.16 1.52 -1.32 0.00 0.00 175.29 175.16 1aoq s TYR 268 N -2.99 1.58 -0.05 9.60 -0.85 -0.44 -1.04 117.35 123.15 1aoq s TYR 268 Ca 0.09 -0.50 0.00 0.00 -0.52 0.00 0.00 57.07 56.14 1aoq s TYR 268 Cb -0.00 -0.82 0.02 0.00 0.38 0.00 0.00 41.96 41.54 1aoq s TYR 268 CO -0.05 0.21 -0.03 0.08 -1.52 0.00 0.00 175.55 174.24 1aoq s VAL 269 N -1.91 0.48 -0.19 -3.49 1.01 0.02 -1.15 120.40 115.17 1aoq s VAL 269 Ca 0.10 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 1aoq s VAL 269 Cb -0.06 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1aoq s VAL 269 CO 0.04 0.23 0.31 -0.63 0.00 0.00 0.00 175.10 175.05 1aoq s ILE 270 N 1.16 5.28 0.25 2.22 1.01 -0.01 -1.22 121.20 129.89 1aoq s ILE 270 Ca -0.07 0.54 0.12 0.00 0.00 0.00 0.00 60.65 61.23 1aoq s ILE 270 Cb -0.14 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 1aoq s ILE 270 CO -0.01 0.33 -0.20 -0.04 0.00 0.00 0.00 174.94 175.01 1aoq s MET 271 N 0.91 1.66 0.14 2.79 -1.94 0.91 -0.94 119.30 122.82 1aoq s MET 271 Ca 0.16 -1.67 -0.31 0.00 -1.71 0.00 0.00 55.69 52.15 1aoq s MET 271 Cb -0.14 -1.82 -0.09 0.00 2.01 0.00 0.00 34.83 34.79 1aoq s MET 271 CO 0.05 0.36 1.54 0.34 -0.01 0.00 0.00 175.02 177.30 1aoq s ASP 272 N -3.23 6.64 0.00 3.03 -1.08 0.06 -1.41 116.67 120.68 1aoq s ASP 272 Ca 0.27 2.53 0.09 0.00 -0.52 0.00 0.00 52.55 54.92 1aoq s ASP 272 Cb -0.06 -2.59 0.41 0.00 -1.46 0.00 0.00 42.92 39.23 1aoq s ASP 272 CO 0.14 -0.79 1.29 0.61 0.52 0.00 0.00 175.17 176.93 1aoq n GLY 273 N 3.72 -0.80 0.01 2.66 0.00 0.07 -0.60 105.19 110.26 1aoq n GLY 273 Ca 0.14 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.13 1aoq n GLY 273 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1aoq n GLU 274 N -1.47 1.09 0.00 1.61 1.02 -1.26 -4.81 120.64 116.82 1aoq n GLU 274 Ca 0.03 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1aoq n GLU 274 Cb 0.11 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1aoq n GLU 274 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1aoq n THR 275 N -1.91 0.00 -1.01 2.62 -2.24 -1.20 -4.77 114.28 105.78 1aoq n THR 275 Ca -0.04 -0.22 -0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1aoq n THR 275 Cb 0.35 0.74 -0.00 0.00 -2.10 0.00 0.00 70.33 69.33 1aoq n THR 275 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1aoq n LEU 276 N -0.90 0.17 -4.68 3.22 4.77 0.23 -4.76 117.00 115.06 1aoq n LEU 276 Ca 0.00 0.01 -0.46 0.00 -0.03 0.00 0.00 56.01 55.53 1aoq n LEU 276 Cb 0.00 -0.92 -0.04 0.00 -2.33 0.00 0.00 43.42 40.13 1aoq n LEU 276 CO 0.00 -0.21 1.27 1.21 -1.33 0.00 0.00 177.39 178.33 1aoq n GLU 277 N -2.21 2.23 -2.23 3.23 2.13 -1.26 -4.43 120.64 118.10 1aoq n GLU 277 Ca -0.00 0.81 -0.42 0.00 0.66 0.00 0.00 57.16 58.20 1aoq n GLU 277 Cb 0.11 -2.60 -0.03 0.00 0.27 0.00 0.00 31.44 29.19 1aoq n GLU 277 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1aoq s PRO 278 N 1.59 4.25 -0.21 5.31 0.04 -1.26 -0.76 135.00 143.96 1aoq s PRO 278 Ca 0.81 1.93 -0.03 0.00 0.04 0.00 0.00 61.00 63.76 1aoq s PRO 278 Cb -0.66 -3.73 -0.12 0.00 0.04 0.00 0.00 34.50 30.03 1aoq s PRO 278 CO 0.40 -0.67 -0.22 1.63 0.04 0.00 0.00 177.00 178.18 1aoq n LYS 279 N 6.14 0.50 -3.70 4.56 4.76 -0.12 -4.95 118.16 125.35 1aoq n LYS 279 Ca 0.14 0.15 -0.13 0.00 -2.87 0.00 0.00 58.31 55.60 1aoq n LYS 279 Cb 0.44 -1.37 -0.14 0.00 -1.84 0.00 0.00 35.03 32.12 1aoq n LYS 279 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1aoq s LYS 280 N -2.41 0.16 -0.15 1.97 2.47 -1.00 -5.00 119.74 115.77 1aoq s LYS 280 Ca -0.29 0.58 -0.02 0.00 -1.56 0.00 0.00 55.97 54.68 1aoq s LYS 280 Cb 0.09 -0.12 -0.02 0.00 -1.46 0.00 0.00 37.83 36.32 1aoq s LYS 280 CO 0.45 -0.21 -0.08 0.42 0.16 0.00 0.00 175.35 176.09 1aoq s ILE 281 N 1.70 3.49 -0.12 5.43 1.01 -1.26 -0.83 121.20 130.62 1aoq s ILE 281 Ca -0.05 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.12 1aoq s ILE 281 Cb -0.11 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.86 1aoq s ILE 281 CO -0.08 0.50 -0.17 -1.10 0.00 0.00 0.00 174.94 174.09 1aoq s GLN 282 N 0.47 2.44 0.38 2.79 -1.52 -0.30 -4.99 119.66 118.92 1aoq s GLN 282 Ca -0.06 -0.64 -0.25 0.00 -1.95 0.00 0.00 55.36 52.46 1aoq s GLN 282 Cb -0.15 -2.06 -0.09 0.00 -0.22 0.00 0.00 33.01 30.50 1aoq s GLN 282 CO 0.04 -0.07 1.09 0.45 -0.25 0.00 0.00 175.29 176.55 1aoq s SER 283 N 0.99 6.75 0.00 5.90 0.15 -1.26 -1.33 113.70 124.90 1aoq s SER 283 Ca -0.06 2.17 0.19 0.00 0.70 0.00 0.00 55.95 58.95 1aoq s SER 283 Cb -0.15 -2.60 0.18 0.00 -1.71 0.00 0.00 66.02 61.74 1aoq s SER 283 CO -0.03 -0.50 1.12 0.35 1.20 0.00 0.00 173.24 175.38 1aoq n THR 284 N 0.16 0.08 -1.80 6.45 -2.24 -0.31 -4.91 114.28 111.71 1aoq n THR 284 Ca 0.04 -0.54 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 1aoq n THR 284 Cb 0.48 1.32 -0.02 0.00 -2.10 0.00 0.00 70.33 70.01 1aoq n THR 284 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1aoq s ARG 285 N -1.52 4.13 0.00 -0.78 0.52 -1.26 -4.54 118.95 115.50 1aoq s ARG 285 Ca 0.23 2.56 0.00 0.00 -0.52 0.00 0.00 55.73 58.00 1aoq s ARG 285 Cb 0.16 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.60 1aoq s ARG 285 CO 0.24 -0.61 0.00 0.41 0.02 0.00 0.00 175.30 175.35 1aoq n GLY 286 N 2.15 -0.61 3.85 -3.53 0.00 -1.16 -5.04 105.19 100.86 1aoq n GLY 286 Ca 0.08 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 1aoq n GLY 286 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1aoq s MET 287 N -0.39 3.79 0.52 1.61 -1.94 -1.26 -0.27 119.30 121.35 1aoq s MET 287 Ca 0.00 0.26 -0.22 0.00 -1.71 0.00 0.00 55.69 54.03 1aoq s MET 287 Cb 0.00 -3.20 -0.06 0.00 2.01 0.00 0.00 34.83 33.58 1aoq s MET 287 CO 0.00 0.71 1.24 0.95 -0.01 0.00 0.00 175.02 177.91 1aoq s THR 288 N -1.08 2.65 0.18 2.05 -4.23 -0.33 -4.83 115.64 110.06 1aoq s THR 288 Ca 0.22 0.47 -0.10 0.00 -1.18 0.00 0.00 61.69 61.11 1aoq s THR 288 Cb -0.15 -3.23 0.08 0.00 1.34 0.00 0.00 72.50 70.53 1aoq s THR 288 CO 0.11 -0.02 1.66 0.10 -0.54 0.00 0.00 174.62 175.93 1aoq h TYR 289 N 1.60 1.14 0.00 3.99 -0.00 -1.12 -2.42 116.97 120.15 1aoq h TYR 289 Ca -0.50 -0.17 -0.07 0.00 -0.00 0.00 0.00 58.73 57.99 1aoq h TYR 289 Cb 1.28 -0.31 -0.01 0.00 -0.00 0.00 0.00 36.73 37.69 1aoq h TYR 289 CO 0.49 0.98 -0.62 0.38 -0.00 0.00 0.00 178.16 179.39 1aoq h ASP 290 N 0.97 0.00 0.64 0.10 2.03 -1.92 -3.39 116.42 114.85 1aoq h ASP 290 Ca 0.19 -0.25 0.00 0.00 -0.73 0.00 0.00 57.03 56.24 1aoq h ASP 290 Cb 0.47 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 1aoq h ASP 290 CO 0.02 0.97 -0.23 -0.62 -1.03 0.00 0.00 179.24 178.35 1aoq n GLU 291 N -4.58 0.18 -3.80 4.15 1.02 -1.26 -4.96 120.64 111.38 1aoq n GLU 291 Ca -0.14 -0.07 -0.29 0.00 -0.02 0.00 0.00 57.16 56.64 1aoq n GLU 291 Cb 0.37 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.31 1aoq n GLU 291 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1aoq n GLN 292 N -1.35 -1.14 -4.79 3.49 6.02 -0.91 -4.97 117.38 113.73 1aoq n GLN 292 Ca 0.08 0.60 -0.25 0.00 -0.01 0.00 0.00 57.00 57.42 1aoq n GLN 292 Cb 0.32 -2.84 -0.15 0.00 1.02 0.00 0.00 30.24 28.60 1aoq n GLN 292 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1aoq s GLU 293 N -5.56 1.43 0.25 -1.09 2.12 -1.26 -4.83 118.70 109.76 1aoq s GLU 293 Ca 0.18 -0.75 -0.30 0.00 0.36 0.00 0.00 54.97 54.47 1aoq s GLU 293 Cb -0.09 -1.43 -0.10 0.00 0.26 0.00 0.00 34.13 32.77 1aoq s GLU 293 CO 0.90 0.38 1.40 -0.47 -0.54 0.00 0.00 175.26 176.94 1aoq s TYR 294 N -0.56 3.07 -0.16 5.30 5.04 -1.26 -1.18 117.35 127.59 1aoq s TYR 294 Ca 0.07 1.09 0.00 0.00 -2.44 0.00 0.00 57.07 55.80 1aoq s TYR 294 Cb -0.08 -3.77 0.02 0.00 0.35 0.00 0.00 41.96 38.49 1aoq s TYR 294 CO 0.00 -2.45 -0.14 -1.58 -1.34 0.00 0.00 175.55 170.04 1aoq s HIS 295 N -0.07 2.24 -1.96 4.97 5.65 0.63 -4.91 115.29 121.84 1aoq s HIS 295 Ca 0.58 -1.29 0.32 0.00 0.25 0.00 0.00 55.06 54.92 1aoq s HIS 295 Cb -0.41 -1.63 1.88 0.00 -1.18 0.00 0.00 32.58 31.25 1aoq s HIS 295 CO 0.43 -0.69 2.22 -0.35 -0.65 0.00 0.00 174.74 175.70 1aoq n PRO 296 N 4.75 0.96 -3.13 2.88 -0.04 -1.26 -2.97 135.00 136.19 1aoq n PRO 296 Ca -0.17 -0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.12 1aoq n PRO 296 Cb 0.50 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.44 1aoq n PRO 296 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1aoq n GLU 297 N -1.02 0.97 -2.72 0.54 2.13 -1.26 -4.89 120.64 114.39 1aoq n GLU 297 Ca 0.23 -3.19 -0.42 0.00 0.66 0.00 0.00 57.16 54.44 1aoq n GLU 297 Cb 0.12 -1.61 -0.03 0.00 0.27 0.00 0.00 31.44 30.18 1aoq n GLU 297 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1aoq s PRO 298 N -2.06 3.29 0.36 5.31 0.02 -1.26 -4.79 135.00 135.87 1aoq s PRO 298 Ca 0.38 -0.27 -0.27 0.00 0.02 0.00 0.00 61.00 60.85 1aoq s PRO 298 Cb 0.34 -4.11 -0.09 0.00 0.02 0.00 0.00 34.50 30.66 1aoq s PRO 298 CO -0.08 -1.75 1.20 1.03 -0.33 0.00 0.00 177.00 177.07 1aoq s ARG 299 N 4.60 4.25 -0.12 5.54 0.52 -1.26 -4.67 118.95 127.81 1aoq s ARG 299 Ca 0.32 1.96 -0.23 0.00 -0.52 0.00 0.00 55.73 57.27 1aoq s ARG 299 Cb -0.11 -2.90 -0.03 0.00 0.52 0.00 0.00 34.95 32.43 1aoq s ARG 299 CO 0.18 -0.19 0.70 0.08 0.02 0.00 0.00 175.30 176.09 1aoq s VAL 300 N -1.28 5.01 0.00 3.52 1.01 -0.99 -0.97 120.40 126.71 1aoq s VAL 300 Ca 0.52 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.89 1aoq s VAL 300 Cb -0.34 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1aoq s VAL 300 CO 0.44 0.17 0.00 0.00 0.00 0.00 0.00 175.10 175.71 1aoq n ALA 301 N 4.39 0.00 -1.75 5.51 0.00 -0.09 -4.55 120.51 124.02 1aoq n ALA 301 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.06 1aoq n ALA 301 Cb 0.50 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.99 1aoq n ALA 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aoq s ALA 302 N -2.92 2.70 -0.07 0.00 0.00 -0.69 -4.61 121.76 116.18 1aoq s ALA 302 Ca 0.00 1.13 -0.00 0.00 0.00 0.00 0.00 51.96 53.09 1aoq s ALA 302 Cb 0.00 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.65 1aoq s ALA 302 CO 0.00 -1.19 -0.04 0.42 0.00 0.00 0.00 175.76 174.95 1aoq s ILE 303 N -1.46 0.59 0.47 0.00 1.01 -1.26 -1.63 121.20 118.92 1aoq s ILE 303 Ca 0.73 -0.08 0.05 0.00 0.00 0.00 0.00 60.65 61.35 1aoq s ILE 303 Cb -0.34 -0.66 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 1aoq s ILE 303 CO 0.39 0.27 0.09 -0.76 0.00 0.00 0.00 174.94 174.93 1aoq s LEU 304 N 1.43 2.68 -0.09 2.97 1.02 0.05 -4.69 118.68 122.05 1aoq s LEU 304 Ca -0.03 -1.41 0.03 0.00 0.02 0.00 0.00 54.13 52.75 1aoq s LEU 304 Cb -0.13 -0.98 0.01 0.00 0.02 0.00 0.00 46.19 45.11 1aoq s LEU 304 CO -0.03 -0.70 -0.19 0.00 0.02 0.00 0.00 176.35 175.45 1aoq s ALA 305 N -2.76 1.78 0.41 4.21 0.00 -1.26 -0.25 121.76 123.89 1aoq s ALA 305 Ca 0.25 -0.74 -0.25 0.00 0.00 0.00 0.00 51.96 51.22 1aoq s ALA 305 Cb 0.04 -0.71 -0.08 0.00 0.00 0.00 0.00 23.12 22.36 1aoq s ALA 305 CO 0.13 0.20 1.23 0.45 0.00 0.00 0.00 175.76 177.78 1aoq s SER 306 N 0.50 6.36 0.00 0.00 0.15 -0.41 -4.82 113.70 115.49 1aoq s SER 306 Ca -0.17 2.48 0.16 0.00 0.70 0.00 0.00 55.95 59.12 1aoq s SER 306 Cb -0.17 -2.62 -0.16 0.00 -1.71 0.00 0.00 66.02 61.35 1aoq s SER 306 CO 0.06 -0.80 0.69 1.41 1.20 0.00 0.00 173.24 175.81 1aoq n HIS 307 N 0.02 0.00 -0.08 3.44 8.25 -1.26 -3.25 115.22 122.34 1aoq n HIS 307 Ca 0.04 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.45 1aoq n HIS 307 Cb 0.45 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.40 1aoq n HIS 307 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1aoq n TYR 308 N -1.29 0.07 -3.97 4.41 4.02 -1.26 -4.66 117.16 114.48 1aoq n TYR 308 Ca 0.03 0.02 -0.09 0.00 -0.01 0.00 0.00 57.90 57.86 1aoq n TYR 308 Cb 0.26 -0.91 -0.10 0.00 -0.02 0.00 0.00 39.34 38.57 1aoq n TYR 308 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1aoq s ARG 309 N -2.71 0.56 -1.04 -0.72 0.52 -1.26 -4.99 118.95 109.31 1aoq s ARG 309 Ca -0.09 -0.85 -0.18 0.00 -0.52 0.00 0.00 55.73 54.09 1aoq s ARG 309 Cb 0.08 0.21 -0.08 0.00 0.52 0.00 0.00 34.95 35.68 1aoq s ARG 309 CO 0.84 -0.13 2.07 -0.35 0.02 0.00 0.00 175.30 177.75 1aoq n PRO 310 N 0.70 2.05 -4.10 3.54 -0.04 -1.26 -4.46 135.00 131.44 1aoq n PRO 310 Ca -0.18 -2.10 -0.10 0.00 -0.04 0.00 0.00 63.50 61.07 1aoq n PRO 310 Cb 0.59 -3.03 -0.11 0.00 -0.04 0.00 0.00 33.50 30.92 1aoq n PRO 310 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1aoq s GLU 311 N 4.23 0.63 0.05 0.54 2.02 -1.26 -1.78 118.70 123.13 1aoq s GLU 311 Ca 0.53 -1.03 0.02 0.00 0.02 0.00 0.00 54.97 54.50 1aoq s GLU 311 Cb 0.14 -0.11 -0.04 0.00 0.10 0.00 0.00 34.13 34.22 1aoq s GLU 311 CO 0.03 -0.02 0.10 -0.06 0.02 0.00 0.00 175.26 175.33 1aoq s PHE 312 N -2.68 3.26 -0.30 1.61 0.08 -0.27 -1.28 117.98 118.40 1aoq s PHE 312 Ca 0.00 0.14 -0.05 0.00 0.12 0.00 0.00 56.93 57.14 1aoq s PHE 312 Cb -0.01 -1.68 0.03 0.00 -0.57 0.00 0.00 43.02 40.79 1aoq s PHE 312 CO -0.04 0.54 0.05 0.42 -0.10 0.00 0.00 175.22 176.09 1aoq s ILE 313 N -1.34 3.58 -0.20 0.64 1.01 0.65 -0.97 121.20 124.57 1aoq s ILE 313 Ca 0.28 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 1aoq s ILE 313 Cb -0.12 -2.92 -0.00 0.00 0.01 0.00 0.00 42.46 39.43 1aoq s ILE 313 CO 0.20 0.01 -0.09 -0.69 0.00 0.00 0.00 174.94 174.37 1aoq s VAL 314 N 1.41 3.04 -0.17 2.92 1.01 0.89 -0.77 120.40 128.74 1aoq s VAL 314 Ca -0.00 -0.61 -0.24 0.00 0.00 0.00 0.00 61.98 61.13 1aoq s VAL 314 Cb -0.18 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1aoq s VAL 314 CO 0.01 0.46 0.77 0.20 0.00 0.00 0.00 175.10 176.54 1aoq s ASN 315 N 1.35 6.89 -0.36 3.32 0.01 -0.64 -0.35 114.94 125.16 1aoq s ASN 315 Ca 0.04 1.09 -0.03 0.00 -0.71 0.00 0.00 52.86 53.25 1aoq s ASN 315 Cb -0.14 -2.43 0.08 0.00 0.41 0.00 0.00 41.25 39.17 1aoq s ASN 315 CO -0.05 -0.35 0.13 -0.69 -1.51 0.00 0.00 177.10 174.63 1aoq s VAL 316 N 1.99 3.31 0.00 1.60 1.01 0.15 -0.91 120.40 127.55 1aoq s VAL 316 Ca 0.36 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.67 1aoq s VAL 316 Cb -0.16 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1aoq s VAL 316 CO 0.12 -0.42 0.76 1.17 0.00 0.00 0.00 175.10 176.74 1aoq n LYS 317 N 4.65 0.00 0.27 2.72 4.81 -0.14 -1.95 118.16 128.52 1aoq n LYS 317 Ca -0.08 0.49 0.11 0.00 -0.87 0.00 0.00 58.31 57.97 1aoq n LYS 317 Cb 0.43 -1.26 0.73 0.00 0.02 0.00 0.00 35.03 34.95 1aoq n LYS 317 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1aoq h GLU 318 N 0.00 0.00 0.00 1.64 3.07 -1.87 0.69 114.58 118.11 1aoq h GLU 318 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1aoq h GLU 318 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1aoq h GLU 318 CO 0.00 0.04 -0.89 0.25 -1.40 0.00 0.00 179.01 177.02 1aoq n THR 319 N -4.13 0.26 -3.08 1.13 -2.24 -1.25 -4.69 114.28 100.28 1aoq n THR 319 Ca -0.03 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 1aoq n THR 319 Cb 0.13 0.04 0.05 0.00 -2.10 0.00 0.00 70.33 68.46 1aoq n THR 319 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aoq n GLY 320 N 1.34 -0.03 3.28 3.38 0.00 -0.82 -0.59 105.19 111.74 1aoq n GLY 320 Ca 0.02 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1aoq n GLY 320 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aoq s LYS 321 N -5.43 2.16 -0.19 1.61 -0.14 -0.98 -1.09 119.74 115.68 1aoq s LYS 321 Ca 0.22 -0.88 -0.03 0.00 -1.36 0.00 0.00 55.97 53.92 1aoq s LYS 321 Cb -0.10 -1.99 -0.01 0.00 -1.68 0.00 0.00 37.83 34.05 1aoq s LYS 321 CO 0.47 0.48 -0.06 0.42 -0.76 0.00 0.00 175.35 175.90 1aoq s ILE 322 N -0.44 3.39 -0.14 2.17 1.01 -0.30 -0.67 121.20 126.22 1aoq s ILE 322 Ca 0.05 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 1aoq s ILE 322 Cb -0.11 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 1aoq s ILE 322 CO 0.01 0.45 0.06 -0.76 0.00 0.00 0.00 174.94 174.70 1aoq s LEU 323 N 1.08 3.89 -0.36 2.97 1.43 0.53 -0.38 118.68 127.84 1aoq s LEU 323 Ca 0.01 0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 53.24 1aoq s LEU 323 Cb -0.15 -1.95 0.06 0.00 0.03 0.00 0.00 46.19 44.19 1aoq s LEU 323 CO -0.01 0.29 0.14 -0.76 0.23 0.00 0.00 176.35 176.24 1aoq s LEU 324 N -0.31 4.61 -0.29 1.79 1.43 -0.18 -0.07 118.68 125.66 1aoq s LEU 324 Ca 0.09 -1.40 -0.10 0.00 -1.03 0.00 0.00 54.13 51.69 1aoq s LEU 324 Cb -0.12 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1aoq s LEU 324 CO 0.02 -0.40 0.15 -0.69 0.23 0.00 0.00 176.35 175.65 1aoq s VAL 325 N 1.34 4.79 -0.36 -1.59 1.01 -0.15 -1.07 120.40 124.38 1aoq s VAL 325 Ca 0.01 -0.18 -0.27 0.00 0.00 0.00 0.00 61.98 61.54 1aoq s VAL 325 Cb -0.21 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.83 1aoq s VAL 325 CO 0.01 0.18 0.97 -0.62 0.00 0.00 0.00 175.10 175.63 1aoq s ASP 326 N 1.67 6.74 -0.06 3.32 -1.08 -0.49 -1.11 116.67 125.65 1aoq s ASP 326 Ca 0.06 0.69 0.12 0.00 -0.52 0.00 0.00 52.55 52.90 1aoq s ASP 326 Cb -0.16 -2.49 0.45 0.00 -1.46 0.00 0.00 42.92 39.26 1aoq s ASP 326 CO 0.07 -0.88 1.32 0.00 0.52 0.00 0.00 175.17 176.21 1aoq n TYR 327 N 6.84 0.89 0.33 -5.34 0.18 -0.73 -4.14 117.16 115.18 1aoq n TYR 327 Ca 0.08 -0.37 0.14 0.00 1.88 0.00 0.00 57.90 59.63 1aoq n TYR 327 Cb 0.48 -0.14 0.39 0.00 -0.38 0.00 0.00 39.34 39.69 1aoq n TYR 327 CO 0.00 0.00 0.00 1.79 -2.08 0.00 0.00 176.86 176.57 1aoq h THR 328 N 2.65 0.00 -1.93 -3.48 1.35 -1.92 -3.41 112.91 106.17 1aoq h THR 328 Ca 0.00 -0.68 -0.19 0.00 -0.55 0.00 0.00 66.41 64.98 1aoq h THR 328 Cb 0.93 1.66 -0.30 0.00 -1.73 0.00 0.00 68.15 68.71 1aoq h THR 328 CO 0.12 0.00 -0.52 -0.62 -0.25 0.00 0.00 175.52 174.25 1aoq s ASP 329 N -5.55 0.52 0.00 5.36 -1.08 -1.26 -5.02 116.67 109.64 1aoq s ASP 329 Ca 0.06 -0.05 0.27 0.00 -0.52 0.00 0.00 52.55 52.31 1aoq s ASP 329 Cb 0.08 0.99 0.95 0.00 -1.46 0.00 0.00 42.92 43.48 1aoq s ASP 329 CO 0.59 -0.32 1.70 0.18 0.52 0.00 0.00 175.17 177.83 1aoq n LEU 330 N 5.35 0.55 -0.07 -1.34 4.77 -1.26 -3.46 117.00 121.54 1aoq n LEU 330 Ca -0.03 0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.74 1aoq n LEU 330 Cb 0.49 -0.22 -0.12 0.00 -2.33 0.00 0.00 43.42 41.24 1aoq n LEU 330 CO 0.04 0.11 -0.97 0.59 -1.33 0.00 0.00 177.39 175.83 1aoq n ASN 331 N -1.08 2.01 -3.85 -1.43 5.03 -1.26 -4.39 115.26 110.30 1aoq n ASN 331 Ca 0.11 0.20 -0.36 0.00 0.87 0.00 0.00 54.58 55.40 1aoq n ASN 331 Cb 0.31 -0.78 -0.04 0.00 -1.02 0.00 0.00 39.78 38.26 1aoq n ASN 331 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1aoq n ASN 332 N -3.76 4.90 -4.63 6.41 3.02 -1.25 -5.04 115.26 114.90 1aoq n ASN 332 Ca -0.39 -3.34 -0.43 0.00 -0.03 0.00 0.00 54.58 50.40 1aoq n ASN 332 Cb 0.93 -1.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 1aoq n ASN 332 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1aoq s LEU 333 N -2.27 3.93 -0.20 3.41 2.96 -1.22 -4.75 118.68 120.54 1aoq s LEU 333 Ca 0.33 1.70 -0.13 0.00 -0.22 0.00 0.00 54.13 55.81 1aoq s LEU 333 Cb 0.05 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.16 1aoq s LEU 333 CO -0.00 -1.24 0.26 -0.54 -1.32 0.00 0.00 176.35 173.50 1aoq s LYS 334 N 4.66 4.19 0.06 1.98 1.02 -1.26 -5.03 119.74 125.35 1aoq s LYS 334 Ca 0.73 -0.01 0.01 0.00 0.02 0.00 0.00 55.97 56.71 1aoq s LYS 334 Cb -0.26 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.54 1aoq s LYS 334 CO 0.29 0.14 -0.05 0.95 -0.92 0.00 0.00 175.35 175.76 1aoq s THR 335 N 0.79 0.42 -0.20 2.17 -4.23 -1.26 -1.40 115.64 111.93 1aoq s THR 335 Ca 0.14 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.09 1aoq s THR 335 Cb -0.13 -1.20 0.04 0.00 1.34 0.00 0.00 72.50 72.54 1aoq s THR 335 CO 0.04 -0.76 -0.13 -0.89 -0.54 0.00 0.00 174.62 172.34 1aoq s THR 336 N -2.96 1.82 -0.53 3.99 2.01 -0.23 -4.96 115.64 114.77 1aoq s THR 336 Ca 0.02 -1.09 -0.18 0.00 0.31 0.00 0.00 61.69 60.75 1aoq s THR 336 Cb 0.01 -1.83 0.09 0.00 0.01 0.00 0.00 72.50 70.78 1aoq s THR 336 CO -0.05 0.22 0.58 -0.70 -0.69 0.00 0.00 174.62 173.98 1aoq s GLU 337 N 1.33 3.04 -0.25 4.92 2.12 -1.26 -1.01 118.70 127.58 1aoq s GLU 337 Ca -0.01 -1.31 -0.18 0.00 0.36 0.00 0.00 54.97 53.83 1aoq s GLU 337 Cb -0.16 -4.21 -0.03 0.00 0.26 0.00 0.00 34.13 29.99 1aoq s GLU 337 CO -0.09 -1.31 0.50 0.42 -0.54 0.00 0.00 175.26 174.24 1aoq s ILE 338 N 2.21 5.08 -0.06 -3.70 1.01 0.49 -4.93 121.20 121.30 1aoq s ILE 338 Ca 0.09 0.86 -0.30 0.00 0.00 0.00 0.00 60.65 61.30 1aoq s ILE 338 Cb -0.24 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1aoq s ILE 338 CO 0.07 0.10 1.39 -0.44 0.00 0.00 0.00 174.94 176.06 1aoq s SER 339 N 1.50 6.86 0.00 3.58 0.01 -1.26 -1.15 113.70 123.24 1aoq s SER 339 Ca 0.21 1.99 0.00 0.00 1.31 0.00 0.00 55.95 59.46 1aoq s SER 339 Cb -0.16 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1aoq s SER 339 CO 0.09 -0.76 0.00 0.00 0.41 0.00 0.00 173.24 172.99 1aoq n ALA 340 N 6.04 0.00 -3.20 1.44 0.00 -0.25 -4.91 120.51 119.63 1aoq n ALA 340 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.45 1aoq n ALA 340 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 1aoq n ALA 340 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1aoq s GLU 341 N 1.25 0.47 0.61 0.00 2.56 -1.22 -5.00 118.70 117.37 1aoq s GLU 341 Ca 0.00 0.15 -0.18 0.00 0.00 0.00 0.00 54.97 54.93 1aoq s GLU 341 Cb 0.00 0.22 -0.03 0.00 2.00 0.00 0.00 34.13 36.32 1aoq s GLU 341 CO 0.00 -0.09 1.20 1.03 -0.56 0.00 0.00 175.26 176.84 1aoq s ARG 342 N -0.46 2.91 -0.49 4.30 0.52 -1.26 -3.84 118.95 120.62 1aoq s ARG 342 Ca -0.06 1.79 -0.02 0.00 -0.52 0.00 0.00 55.73 56.93 1aoq s ARG 342 Cb -0.04 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.51 1aoq s ARG 342 CO 0.02 -1.25 0.21 1.19 0.02 0.00 0.00 175.30 175.49 1aoq n PHE 343 N -1.72 -0.64 -1.92 -0.53 3.72 0.18 -4.64 117.46 111.91 1aoq n PHE 343 Ca 0.13 0.18 -0.41 0.00 -0.05 0.00 0.00 57.45 57.30 1aoq n PHE 343 Cb 0.50 -2.12 -0.01 0.00 -0.94 0.00 0.00 39.48 36.91 1aoq n PHE 343 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1aoq s LEU 344 N -2.50 4.35 0.00 4.37 1.43 -1.24 -2.62 118.68 122.47 1aoq s LEU 344 Ca 0.10 2.91 0.00 0.00 -1.03 0.00 0.00 54.13 56.11 1aoq s LEU 344 Cb -0.04 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1aoq s LEU 344 CO 0.13 -0.77 0.00 1.57 0.23 0.00 0.00 176.35 177.51 1aoq n HIS 345 N 0.54 0.00 -3.78 0.29 -0.00 -0.16 -4.20 115.22 107.91 1aoq n HIS 345 Ca 0.01 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.98 1aoq n HIS 345 Cb 0.40 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.24 1aoq n HIS 345 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 1aoq s ASP 346 N 1.00 5.20 0.00 0.26 -4.77 -1.26 -1.70 116.67 115.40 1aoq s ASP 346 Ca 0.00 -0.57 0.00 0.00 -3.30 0.00 0.00 52.55 48.68 1aoq s ASP 346 Cb 0.00 -0.87 0.00 0.00 -1.09 0.00 0.00 42.92 40.96 1aoq s ASP 346 CO 0.00 -0.41 0.00 0.61 0.70 0.00 0.00 175.17 176.07 1aoq n GLY 347 N -1.39 -0.95 3.67 2.12 0.00 -0.88 -0.90 105.19 106.85 1aoq n GLY 347 Ca -0.01 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 1aoq n GLY 347 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aoq s GLY 348 N 0.00 0.30 0.41 -0.02 0.00 -0.29 -4.16 107.32 103.56 1aoq s GLY 348 Ca 0.00 -0.66 -0.11 0.00 0.00 0.00 0.00 44.72 43.95 1aoq s GLY 348 CO 0.00 -0.44 0.78 1.08 0.00 0.00 0.00 173.10 174.52 1aoq s LEU 349 N -2.98 3.82 0.00 0.66 1.43 -1.26 -0.61 118.68 119.74 1aoq s LEU 349 Ca 0.18 1.15 -0.19 0.00 -1.03 0.00 0.00 54.13 54.24 1aoq s LEU 349 Cb -0.02 -4.03 0.27 0.00 0.03 0.00 0.00 46.19 42.44 1aoq s LEU 349 CO 0.08 -0.41 1.21 -0.90 0.23 0.00 0.00 176.35 176.57 1aoq n ASP 350 N -1.30 -1.15 0.10 2.29 5.75 -0.33 -4.83 116.55 117.08 1aoq n ASP 350 Ca 0.03 -1.31 0.13 0.00 -0.01 0.00 0.00 54.79 53.62 1aoq n ASP 350 Cb 0.54 -1.02 0.63 0.00 -1.03 0.00 0.00 41.12 40.24 1aoq n ASP 350 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1aoq h GLY 351 N -2.32 0.10 1.12 6.12 0.00 -1.92 0.14 103.07 106.31 1aoq h GLY 351 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1aoq h GLY 351 CO 0.29 0.02 -0.17 -1.14 0.00 0.00 0.00 176.54 175.54 1aoq n SER 352 N -4.46 0.40 -1.12 0.19 3.41 -1.26 -4.93 113.62 105.85 1aoq n SER 352 Ca 0.04 -0.30 -0.14 0.00 -0.26 0.00 0.00 58.87 58.21 1aoq n SER 352 Cb 0.33 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.14 1aoq n SER 352 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1aoq n HIS 353 N -1.16 -0.08 -0.11 7.33 8.25 0.03 -4.89 115.22 124.59 1aoq n HIS 353 Ca 0.11 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.43 1aoq n HIS 353 Cb 0.30 -2.52 -0.13 0.00 1.12 0.00 0.00 29.99 28.76 1aoq n HIS 353 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1aoq n ARG 354 N -2.57 0.71 -4.28 -0.41 0.63 -1.26 -4.43 116.66 105.06 1aoq n ARG 354 Ca -0.14 0.09 -0.34 0.00 -0.92 0.00 0.00 57.85 56.54 1aoq n ARG 354 Cb 0.47 -1.49 -0.11 0.00 0.45 0.00 0.00 32.46 31.78 1aoq n ARG 354 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1aoq s TYR 355 N -2.48 3.12 -0.23 -0.14 2.02 -1.26 -0.98 117.35 117.40 1aoq s TYR 355 Ca -0.24 -0.10 -0.16 0.00 -0.37 0.00 0.00 57.07 56.20 1aoq s TYR 355 Cb 0.07 -1.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.63 1aoq s TYR 355 CO 0.64 0.11 0.39 0.12 -1.57 0.00 0.00 175.55 175.25 1aoq s PHE 356 N 0.14 3.32 -0.20 2.71 5.36 0.05 -1.18 117.98 128.18 1aoq s PHE 356 Ca 0.01 0.54 -0.02 0.00 -0.96 0.00 0.00 56.93 56.50 1aoq s PHE 356 Cb -0.13 -2.55 0.00 0.00 -0.34 0.00 0.00 43.02 40.00 1aoq s PHE 356 CO 0.02 -0.10 -0.11 0.42 -1.46 0.00 0.00 175.22 173.99 1aoq s ILE 357 N 1.63 2.84 0.04 3.12 1.01 0.22 -0.74 121.20 129.31 1aoq s ILE 357 Ca 0.17 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1aoq s ILE 357 Cb -0.15 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 1aoq s ILE 357 CO 0.08 0.47 -0.09 0.28 0.00 0.00 0.00 174.94 175.69 1aoq s THR 358 N 1.40 0.65 -0.13 2.92 -1.32 0.02 -1.14 115.64 118.03 1aoq s THR 358 Ca 0.05 -0.92 -0.20 0.00 -1.21 0.00 0.00 61.69 59.41 1aoq s THR 358 Cb -0.14 -0.66 -0.04 0.00 -1.51 0.00 0.00 72.50 70.16 1aoq s THR 358 CO -0.07 -0.21 0.56 0.00 -2.21 0.00 0.00 174.62 172.69 1aoq s ALA 359 N -1.05 3.47 -1.12 11.08 0.00 -0.08 -0.16 121.76 133.90 1aoq s ALA 359 Ca -0.05 -0.16 -0.08 0.00 0.00 0.00 0.00 51.96 51.66 1aoq s ALA 359 Cb -0.08 -2.80 0.28 0.00 0.00 0.00 0.00 23.12 20.52 1aoq s ALA 359 CO 0.01 -0.20 1.20 0.00 0.00 0.00 0.00 175.76 176.76 1aoq n ALA 360 N 4.13 4.40 -0.17 0.00 0.00 -0.05 -0.99 120.51 127.83 1aoq n ALA 360 Ca -0.04 -4.68 -0.03 0.00 0.00 0.00 0.00 53.44 48.68 1aoq n ALA 360 Cb 0.51 -2.46 0.03 0.00 0.00 0.00 0.00 19.45 17.53 1aoq n ALA 360 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1aoq h ASN 361 N 6.44 -0.72 0.43 0.00 7.08 -1.73 -1.92 115.58 125.16 1aoq h ASN 361 Ca 0.19 0.18 0.00 0.00 -3.08 0.00 0.00 56.30 53.59 1aoq h ASN 361 Cb 0.82 0.41 0.00 0.00 -2.08 0.00 0.00 38.32 37.47 1aoq h ASN 361 CO 1.08 -0.24 0.00 0.00 -2.08 0.00 0.00 177.43 176.20 1aoq h ALA 362 N 1.31 1.00 -0.36 4.14 0.00 -1.86 -2.13 119.26 121.37 1aoq h ALA 362 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1aoq h ALA 362 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1aoq h ALA 362 CO -0.58 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.21 1aoq n ARG 363 N -2.75 2.71 -2.70 0.00 1.74 -0.77 -4.97 116.66 109.92 1aoq n ARG 363 Ca -0.01 -2.05 -0.18 0.00 -0.77 0.00 0.00 57.85 54.85 1aoq n ARG 363 Cb 0.16 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 1aoq n ARG 363 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1aoq n ASN 364 N 0.62 -4.60 -4.55 0.55 3.02 -0.80 -4.97 115.26 104.53 1aoq n ASN 364 Ca 0.12 -0.03 -0.26 0.00 -0.03 0.00 0.00 54.58 54.38 1aoq n ASN 364 Cb 0.43 -3.83 -0.09 0.00 -0.61 0.00 0.00 39.78 35.68 1aoq n ASN 364 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1aoq s LYS 365 N -5.33 2.00 -0.16 3.52 -0.14 -1.10 -1.71 119.74 116.83 1aoq s LYS 365 Ca 0.12 -1.32 -0.01 0.00 -1.36 0.00 0.00 55.97 53.40 1aoq s LYS 365 Cb -0.06 -2.11 -0.01 0.00 -1.68 0.00 0.00 37.83 33.97 1aoq s LYS 365 CO 0.15 0.42 -0.12 -0.51 -0.76 0.00 0.00 175.35 174.54 1aoq s LEU 366 N -2.88 2.68 -0.13 3.17 1.43 0.46 -0.88 118.68 122.53 1aoq s LEU 366 Ca 0.25 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.91 1aoq s LEU 366 Cb -0.08 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1aoq s LEU 366 CO 0.15 0.10 0.04 -0.69 0.23 0.00 0.00 176.35 176.18 1aoq s VAL 367 N 0.76 4.64 -0.14 -1.59 1.01 0.77 -1.20 120.40 124.65 1aoq s VAL 367 Ca -0.05 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1aoq s VAL 367 Cb -0.15 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1aoq s VAL 367 CO 0.01 0.54 -0.20 -0.69 0.00 0.00 0.00 175.10 174.77 1aoq s VAL 368 N -0.31 2.30 -0.06 2.92 1.01 0.29 -0.80 120.40 125.76 1aoq s VAL 368 Ca 0.08 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1aoq s VAL 368 Cb -0.12 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1aoq s VAL 368 CO 0.02 0.54 -0.19 -0.63 0.00 0.00 0.00 175.10 174.84 1aoq s ILE 369 N 0.73 2.65 -0.46 2.22 -1.09 0.08 -0.29 121.20 125.04 1aoq s ILE 369 Ca -0.08 -0.86 -0.21 0.00 -2.23 0.00 0.00 60.65 57.27 1aoq s ILE 369 Cb -0.16 -2.02 0.03 0.00 -1.58 0.00 0.00 42.46 38.73 1aoq s ILE 369 CO 0.01 0.57 0.67 -0.62 -1.23 0.00 0.00 174.94 174.34 1aoq s ASP 370 N -0.38 6.31 0.50 3.58 -1.08 0.06 -0.77 116.67 124.89 1aoq s ASP 370 Ca 0.04 -0.45 0.31 0.00 -0.52 0.00 0.00 52.55 51.93 1aoq s ASP 370 Cb -0.12 -2.33 1.20 0.00 -1.46 0.00 0.00 42.92 40.21 1aoq s ASP 370 CO 0.02 -0.85 1.91 0.71 0.52 0.00 0.00 175.17 177.48 1aoq h THR 371 N 5.89 0.00 -0.00 1.71 1.35 -1.36 0.32 112.91 120.82 1aoq h THR 371 Ca -0.26 -0.54 -0.03 0.00 -0.55 0.00 0.00 66.41 65.04 1aoq h THR 371 Cb 1.09 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 1aoq h THR 371 CO 0.93 0.00 -0.12 0.50 -0.25 0.00 0.00 175.52 176.58 1aoq h LYS 372 N 0.00 0.08 0.00 4.72 3.64 -1.92 -3.33 116.57 119.77 1aoq h LYS 372 Ca 0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1aoq h LYS 372 Cb 0.56 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1aoq h LYS 372 CO 0.00 0.85 -0.51 0.93 -2.27 0.00 0.00 179.45 178.45 1aoq h GLU 373 N -0.65 0.00 -4.45 1.90 4.39 -1.93 -3.49 114.58 110.34 1aoq h GLU 373 Ca -0.01 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.46 1aoq h GLU 373 Cb 0.89 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.66 1aoq h GLU 373 CO 0.02 0.00 -0.52 0.41 -1.16 0.00 0.00 179.01 177.77 1aoq n GLY 374 N 1.32 -0.10 3.34 -3.84 0.00 0.11 -5.04 105.19 100.98 1aoq n GLY 374 Ca 0.04 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 1aoq n GLY 374 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aoq s LYS 375 N -4.92 0.98 0.26 1.61 -2.85 -1.07 -4.99 119.74 108.76 1aoq s LYS 375 Ca 0.00 -0.38 -0.30 0.00 -1.00 0.00 0.00 55.97 54.29 1aoq s LYS 375 Cb -0.00 0.44 -0.10 0.00 -2.06 0.00 0.00 37.83 36.11 1aoq s LYS 375 CO 0.49 -0.35 1.36 -1.17 0.10 0.00 0.00 175.35 175.78 1aoq s LEU 376 N -2.13 4.41 -0.02 2.77 2.96 -1.26 -0.76 118.68 124.65 1aoq s LEU 376 Ca -0.04 2.59 0.04 0.00 -0.22 0.00 0.00 54.13 56.50 1aoq s LEU 376 Cb -0.00 -3.63 -0.06 0.00 0.50 0.00 0.00 46.19 43.00 1aoq s LEU 376 CO -0.04 -0.59 0.06 0.52 -1.32 0.00 0.00 176.35 174.98 1aoq n VAL 377 N 1.94 0.10 -3.56 1.68 0.31 0.60 -4.87 118.33 114.54 1aoq n VAL 377 Ca 0.04 -0.12 -0.07 0.00 -0.01 0.00 0.00 64.34 64.19 1aoq n VAL 377 Cb 0.41 -0.12 -0.03 0.00 -0.91 0.00 0.00 33.84 33.20 1aoq n VAL 377 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1aoq s ALA 378 N -2.20 -1.96 -0.14 3.52 0.00 -1.13 -4.99 121.76 114.86 1aoq s ALA 378 Ca -0.02 1.42 -0.04 0.00 0.00 0.00 0.00 51.96 53.33 1aoq s ALA 378 Cb 0.02 -0.18 0.07 0.00 0.00 0.00 0.00 23.12 23.03 1aoq s ALA 378 CO 0.16 -0.53 0.19 0.42 0.00 0.00 0.00 175.76 176.00 1aoq s ILE 379 N -2.25 -0.29 -0.02 0.00 1.01 -1.26 -0.54 121.20 117.85 1aoq s ILE 379 Ca 0.05 0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.88 1aoq s ILE 379 Cb -0.01 -0.47 -0.00 0.00 0.01 0.00 0.00 42.46 41.99 1aoq s ILE 379 CO -0.05 -0.01 -0.11 -1.61 0.00 0.00 0.00 174.94 173.16 1aoq s GLU 380 N 2.31 1.01 0.13 2.79 0.41 -0.34 -4.94 118.70 120.07 1aoq s GLU 380 Ca 0.04 -0.39 -0.30 0.00 -0.41 0.00 0.00 54.97 53.91 1aoq s GLU 380 Cb -0.14 -0.95 -0.06 0.00 -1.78 0.00 0.00 34.13 31.20 1aoq s GLU 380 CO -0.09 0.20 1.04 0.34 -0.49 0.00 0.00 175.26 176.27 1aoq s ASP 381 N -0.08 7.36 0.20 -0.19 -1.08 -1.26 -0.40 116.67 121.21 1aoq s ASP 381 Ca 0.01 1.94 0.26 0.00 -0.52 0.00 0.00 52.55 54.24 1aoq s ASP 381 Cb -0.06 -2.59 0.87 0.00 -1.46 0.00 0.00 42.92 39.67 1aoq s ASP 381 CO 0.00 -0.18 1.78 0.35 0.52 0.00 0.00 175.17 177.64 1aoq n THR 382 N 2.74 0.59 -0.19 1.71 -2.24 -0.69 -4.89 114.28 111.32 1aoq n THR 382 Ca 0.03 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1aoq n THR 382 Cb 0.48 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1aoq n THR 382 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aoq n GLY 383 N 1.11 1.81 3.91 3.38 0.00 -1.26 -4.91 105.19 109.23 1aoq n GLY 383 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1aoq n GLY 383 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aoq s GLY 384 N -1.93 2.38 -0.26 -0.02 0.00 -1.26 -5.11 107.32 101.12 1aoq s GLY 384 Ca 0.00 -1.20 -0.06 0.00 0.00 0.00 0.00 44.72 43.45 1aoq s GLY 384 CO 0.00 -1.95 0.05 1.20 0.00 0.00 0.00 173.10 172.40 1aoq s GLN 385 N -4.30 3.43 -0.68 2.90 -1.52 -1.26 -4.76 119.66 113.47 1aoq s GLN 385 Ca 0.33 -0.62 -0.02 0.00 -1.95 0.00 0.00 55.36 53.10 1aoq s GLN 385 Cb -0.02 -3.27 0.00 0.00 -0.22 0.00 0.00 33.01 29.50 1aoq s GLN 385 CO 0.21 -0.26 0.67 2.41 -0.25 0.00 0.00 175.29 178.06 1aoq n THR 386 N 4.88-10.07 -1.98 -0.19 -1.04 -1.26 -0.23 114.28 104.39 1aoq n THR 386 Ca -0.16 -0.08 -0.41 0.00 -2.04 0.00 0.00 64.05 61.36 1aoq n THR 386 Cb 0.50 -6.90 -0.02 0.00 -1.82 0.00 0.00 70.33 62.09 1aoq n THR 386 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1aoq s PRO 387 N -2.94 4.25 -0.37 -2.82 0.04 -1.26 -0.73 135.00 131.18 1aoq s PRO 387 Ca 0.03 2.35 0.01 0.00 0.04 0.00 0.00 61.00 63.43 1aoq s PRO 387 Cb -0.01 -3.08 0.15 0.00 0.04 0.00 0.00 34.50 31.60 1aoq s PRO 387 CO 0.73 -0.41 0.24 -1.58 0.04 0.00 0.00 177.00 176.02 1aoq s HIS 388 N -0.34 0.80 -0.22 0.56 2.46 -0.86 -4.50 115.29 113.19 1aoq s HIS 388 Ca 0.57 -1.79 0.18 0.00 0.47 0.00 0.00 55.06 54.49 1aoq s HIS 388 Cb -0.43 -0.91 0.18 0.00 -0.13 0.00 0.00 32.58 31.30 1aoq s HIS 388 CO 0.48 -0.83 1.51 -1.00 -2.47 0.00 0.00 174.74 172.43 1aoq h PRO 389 N 6.69 0.00 0.00 2.88 0.13 -1.78 -3.40 132.00 136.52 1aoq h PRO 389 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1aoq h PRO 389 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1aoq h PRO 389 CO 0.29 0.35 0.00 0.41 -0.23 0.00 0.00 178.00 178.82 1aoq n GLY 390 N 1.14 1.39 0.49 1.56 0.00 -1.26 -0.98 105.19 107.53 1aoq n GLY 390 Ca 0.02 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.65 1aoq n GLY 390 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aoq n ARG 391 N 12.68 1.52 0.00 1.61 1.74 -1.26 -2.07 116.66 130.88 1aoq n ARG 391 Ca 0.00 -0.99 0.00 0.00 -0.77 0.00 0.00 57.85 56.09 1aoq n ARG 391 Cb 0.00 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1aoq n ARG 391 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aoq n GLY 392 N 1.26 -2.28 2.74 -0.13 0.00 -0.15 -3.39 105.19 103.24 1aoq n GLY 392 Ca 0.16 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.39 1aoq n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aoq s ALA 393 N -1.04 0.77 -0.11 4.61 0.00 -1.03 -4.76 121.76 120.21 1aoq s ALA 393 Ca 0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 51.96 51.55 1aoq s ALA 393 Cb 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 1aoq s ALA 393 CO 0.00 -0.76 0.18 -0.80 0.00 0.00 0.00 175.76 174.38 1aoq s ASN 394 N 1.95 6.45 0.02 0.00 0.01 0.06 -0.11 114.94 123.33 1aoq s ASN 394 Ca 0.03 0.54 -0.28 0.00 -0.71 0.00 0.00 52.86 52.44 1aoq s ASN 394 Cb -0.14 -2.10 0.09 0.00 0.41 0.00 0.00 41.25 39.51 1aoq s ASN 394 CO -0.06 0.38 0.81 0.72 -1.51 0.00 0.00 177.10 177.43 1aoq s PHE 395 N -0.93 -0.42 -0.52 2.20 -0.71 -0.61 -4.74 117.98 112.25 1aoq s PHE 395 Ca 0.16 0.33 -0.20 0.00 -1.04 0.00 0.00 56.93 56.18 1aoq s PHE 395 Cb -0.13 0.53 0.05 0.00 -1.21 0.00 0.00 43.02 42.27 1aoq s PHE 395 CO 0.05 -0.61 0.70 0.08 -1.34 0.00 0.00 175.22 174.10 1aoq s VAL 396 N -3.01 4.76 0.20 -2.49 1.01 -1.26 -0.95 120.40 118.66 1aoq s VAL 396 Ca 0.02 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 1aoq s VAL 396 Cb -0.01 -4.36 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 1aoq s VAL 396 CO -0.08 -0.88 1.33 -2.28 0.00 0.00 0.00 175.10 173.19 1aoq s HIS 397 N 2.94 3.22 0.43 5.22 2.46 0.23 -4.89 115.29 124.90 1aoq s HIS 397 Ca 0.19 1.18 0.21 0.00 0.47 0.00 0.00 55.06 57.11 1aoq s HIS 397 Cb -0.18 -3.64 1.17 0.00 -0.13 0.00 0.00 32.58 29.81 1aoq s HIS 397 CO 0.14 -2.01 1.82 -1.35 -2.47 0.00 0.00 174.74 170.86 1aoq h PRO 398 N 5.41 0.32 0.00 2.88 0.11 -1.80 -0.70 132.00 138.21 1aoq h PRO 398 Ca -0.45 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1aoq h PRO 398 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1aoq h PRO 398 CO 0.78 0.21 -1.46 0.25 -0.21 0.00 0.00 178.00 177.57 1aoq n THR 399 N -4.50 0.46 0.10 -1.15 -2.24 -1.26 -4.73 114.28 100.95 1aoq n THR 399 Ca 0.22 -0.26 0.01 0.00 -2.27 0.00 0.00 64.05 61.76 1aoq n THR 399 Cb 0.85 -0.82 -0.02 0.00 -2.10 0.00 0.00 70.33 68.24 1aoq n THR 399 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1aoq h PHE 400 N 0.00 0.00 0.00 4.78 0.04 -1.94 -3.50 116.94 116.32 1aoq h PHE 400 Ca -0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.59 1aoq h PHE 400 Cb 1.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.53 1aoq h PHE 400 CO 0.00 0.55 0.00 0.41 -0.60 0.00 0.00 178.31 178.67 1aoq n GLY 401 N 1.29 -1.80 3.67 -1.45 0.00 -0.27 -4.92 105.19 101.71 1aoq n GLY 401 Ca -0.02 -1.82 -0.46 0.00 0.00 0.00 0.00 46.02 43.72 1aoq n GLY 401 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1aoq n PRO 402 N 0.00 2.19 -4.04 1.61 -0.02 -1.26 -0.60 135.00 132.87 1aoq n PRO 402 Ca 0.00 0.79 -0.08 0.00 -2.02 0.00 0.00 63.50 62.19 1aoq n PRO 402 Cb 0.00 -2.57 -0.09 0.00 -0.02 0.00 0.00 33.50 30.82 1aoq n PRO 402 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1aoq s VAL 403 N 0.98 0.16 -0.02 -1.45 -7.23 -0.13 -1.80 120.40 110.91 1aoq s VAL 403 Ca 0.79 -1.66 0.05 0.00 -1.81 0.00 0.00 61.98 59.34 1aoq s VAL 403 Cb -0.67 -1.63 -0.01 0.00 0.56 0.00 0.00 36.38 34.63 1aoq s VAL 403 CO 0.38 -0.74 -0.17 0.86 -0.31 0.00 0.00 175.10 175.11 1aoq s TRP 404 N -3.94 1.59 0.18 2.82 -0.00 -0.60 -1.58 118.94 117.41 1aoq s TRP 404 Ca 0.11 -0.35 0.11 0.00 -0.00 0.00 0.00 56.10 55.98 1aoq s TRP 404 Cb 0.07 -1.04 -0.04 0.00 -0.00 0.00 0.00 33.47 32.45 1aoq s TRP 404 CO -0.07 -0.07 -0.24 0.00 -0.00 0.00 0.00 176.95 176.57 1aoq s ALA 405 N -0.27 2.52 -0.02 5.86 0.00 0.84 -1.46 121.76 129.24 1aoq s ALA 405 Ca 0.03 -1.60 -0.07 0.00 0.00 0.00 0.00 51.96 50.33 1aoq s ALA 405 Cb -0.08 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.68 1aoq s ALA 405 CO 0.00 0.46 0.14 -0.08 0.00 0.00 0.00 175.76 176.28 1aoq s THR 406 N -1.54 0.06 0.45 0.00 -1.32 -0.85 -2.46 115.64 109.98 1aoq s THR 406 Ca 0.19 -0.48 0.06 0.00 -1.21 0.00 0.00 61.69 60.26 1aoq s THR 406 Cb -0.08 -0.37 0.06 0.00 -1.51 0.00 0.00 72.50 70.60 1aoq s THR 406 CO 0.09 -0.26 0.50 -1.54 -2.21 0.00 0.00 174.62 171.20 1aoq n SER 407 N 1.94 1.98 -4.19 8.08 3.41 -1.26 -1.07 113.62 122.51 1aoq n SER 407 Ca -0.20 -2.33 -0.20 0.00 -0.26 0.00 0.00 58.87 55.88 1aoq n SER 407 Cb 0.57 -0.20 -0.12 0.00 -0.26 0.00 0.00 64.21 64.19 1aoq n SER 407 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1aoq s HIS 408 N -1.97 1.31 0.04 7.33 3.76 -1.09 -2.04 115.29 122.63 1aoq s HIS 408 Ca 0.38 -0.44 0.03 0.00 -0.15 0.00 0.00 55.06 54.88 1aoq s HIS 408 Cb -0.03 -0.74 -0.25 0.00 1.11 0.00 0.00 32.58 32.67 1aoq s HIS 408 CO 0.24 0.08 0.98 1.98 -0.85 0.00 0.00 174.74 177.17 1aoq h MET 409 N 4.36 0.13 0.00 1.40 4.05 -0.96 -2.20 114.93 121.71 1aoq h MET 409 Ca -0.41 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 58.79 1aoq h MET 409 Cb 1.19 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 1aoq h MET 409 CO 0.41 0.97 -0.32 0.78 0.23 0.00 0.00 176.91 178.98 1aoq h GLY 410 N 2.42 0.00 -1.25 1.39 0.00 -0.73 0.71 103.07 105.61 1aoq h GLY 410 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.99 1aoq h GLY 410 CO 0.14 0.00 0.02 2.09 0.00 0.00 0.00 176.54 178.79 1aoq n ASP 411 N -2.41 -1.70 -0.43 0.19 5.68 -1.24 -4.80 116.55 111.85 1aoq n ASP 411 Ca 0.04 -2.74 0.09 0.00 -0.50 0.00 0.00 54.79 51.69 1aoq n ASP 411 Cb 0.46 2.99 0.37 0.00 -1.14 0.00 0.00 41.12 43.81 1aoq n ASP 411 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1aoq n ASP 412 N -1.58 1.27 -4.80 -1.12 5.68 -1.26 -4.06 116.55 110.69 1aoq n ASP 412 Ca -0.03 -1.69 -0.34 0.00 -0.50 0.00 0.00 54.79 52.23 1aoq n ASP 412 Cb 0.58 -0.09 -0.03 0.00 -1.14 0.00 0.00 41.12 40.43 1aoq n ASP 412 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1aoq s SER 413 N -1.48 6.25 -0.11 -1.12 1.04 -1.26 -0.52 113.70 116.50 1aoq s SER 413 Ca 0.29 1.93 0.02 0.00 0.48 0.00 0.00 55.95 58.67 1aoq s SER 413 Cb 0.15 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.73 1aoq s SER 413 CO 0.23 -0.84 -0.15 -0.69 0.98 0.00 0.00 173.24 172.77 1aoq s VAL 414 N -2.01 1.52 -0.03 5.02 1.01 0.64 -2.66 120.40 123.88 1aoq s VAL 414 Ca 0.67 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 62.05 1aoq s VAL 414 Cb -0.17 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1aoq s VAL 414 CO 0.22 0.45 -0.15 0.00 0.00 0.00 0.00 175.10 175.61 1aoq s ALA 415 N 1.06 2.64 -0.11 5.51 0.00 -0.24 -1.47 121.76 129.15 1aoq s ALA 415 Ca -0.05 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.90 1aoq s ALA 415 Cb -0.15 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 1aoq s ALA 415 CO -0.03 0.56 -0.12 -0.51 0.00 0.00 0.00 175.76 175.66 1aoq s LEU 416 N -0.87 2.79 -0.06 0.00 1.43 -0.47 -2.00 118.68 119.52 1aoq s LEU 416 Ca 0.12 -0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 1aoq s LEU 416 Cb -0.11 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 1aoq s LEU 416 CO 0.01 0.23 -0.23 -0.51 0.23 0.00 0.00 176.35 176.08 1aoq s ILE 417 N -0.01 1.91 0.33 -0.59 2.07 -0.54 -0.17 121.20 124.21 1aoq s ILE 417 Ca -0.03 -0.98 -0.29 0.00 -1.41 0.00 0.00 60.65 57.94 1aoq s ILE 417 Cb -0.14 -1.63 -0.10 0.00 0.13 0.00 0.00 42.46 40.72 1aoq s ILE 417 CO 0.04 0.53 1.28 -0.83 -1.91 0.00 0.00 174.94 174.05 1aoq s GLY 418 N -0.05 3.01 -0.11 1.50 0.00 -0.96 -1.56 107.32 109.15 1aoq s GLY 418 Ca -0.06 1.21 0.14 0.00 0.00 0.00 0.00 44.72 46.02 1aoq s GLY 418 CO 0.04 1.85 1.15 -1.30 0.00 0.00 0.00 173.10 174.84 1aoq n THR 419 N 0.83 1.39 -3.52 0.90 -2.24 -0.74 -0.11 114.28 110.78 1aoq n THR 419 Ca -0.00 -2.01 -0.27 0.00 -2.27 0.00 0.00 64.05 59.50 1aoq n THR 419 Cb 0.42 0.07 -0.09 0.00 -2.10 0.00 0.00 70.33 68.63 1aoq n THR 419 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1aoq n ASP 420 N -0.81 2.43 0.04 3.42 2.03 -1.26 -4.95 116.55 117.46 1aoq n ASP 420 Ca 0.13 -3.12 0.11 0.00 0.52 0.00 0.00 54.79 52.43 1aoq n ASP 420 Cb 0.74 -0.68 0.56 0.00 -0.72 0.00 0.00 41.12 41.02 1aoq n ASP 420 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1aoq h PRO 421 N 4.68 0.24 0.11 -0.67 0.13 -1.90 0.90 132.00 135.49 1aoq h PRO 421 Ca 0.17 -0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 65.07 1aoq h PRO 421 Cb 0.75 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.84 1aoq h PRO 421 CO 0.68 0.16 -1.06 0.93 -0.23 0.00 0.00 178.00 178.48 1aoq h GLU 422 N 0.25 0.24 0.00 0.86 5.08 -1.95 -3.28 114.58 115.78 1aoq h GLU 422 Ca 0.17 -0.41 -0.19 0.00 -1.00 0.00 0.00 59.36 57.93 1aoq h GLU 422 Cb 0.37 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1aoq h GLU 422 CO -0.03 1.20 -1.33 0.78 -1.00 0.00 0.00 179.01 178.62 1aoq h GLY 423 N -0.24 0.00 -5.96 -3.84 0.00 -1.94 -3.39 103.07 87.69 1aoq h GLY 423 Ca -0.22 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.57 1aoq h GLY 423 CO 0.08 0.00 -1.04 1.42 0.00 0.00 0.00 176.54 177.00 1aoq n HIS 424 N -3.01 0.70 -0.18 5.60 8.25 0.30 -5.02 115.22 121.85 1aoq n HIS 424 Ca -0.09 -3.76 -0.06 0.00 -0.26 0.00 0.00 57.72 53.55 1aoq n HIS 424 Cb 0.89 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1aoq n HIS 424 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1aoq h PRO 425 N 3.58 -0.17 -0.39 -0.41 0.11 -1.62 -1.74 132.00 131.36 1aoq h PRO 425 Ca 0.10 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1aoq h PRO 425 Cb 0.85 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 1aoq h PRO 425 CO 0.55 -0.11 0.25 -0.44 -0.21 0.00 0.00 178.00 178.03 1aoq h ASP 426 N -0.18 0.45 1.20 -2.05 3.32 -1.91 -2.66 116.42 114.59 1aoq h ASP 426 Ca 0.22 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1aoq h ASP 426 Cb 0.54 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1aoq h ASP 426 CO -0.63 0.33 -0.31 0.78 -1.72 0.00 0.00 179.24 177.70 1aoq h ASN 427 N 0.53 0.00 -2.61 6.45 2.35 -1.70 -3.46 115.58 117.14 1aoq h ASN 427 Ca 0.14 -0.10 -0.53 0.00 -0.55 0.00 0.00 56.30 55.26 1aoq h ASN 427 Cb -0.04 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.37 1aoq h ASN 427 CO -0.03 0.05 1.06 0.00 -1.65 0.00 0.00 177.43 176.86 1aoq s ALA 428 N -3.14 3.78 -1.89 -0.83 0.00 -0.81 -2.82 121.76 116.04 1aoq s ALA 428 Ca 0.08 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1aoq s ALA 428 Cb 0.13 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1aoq s ALA 428 CO 0.66 -1.12 0.00 0.91 0.00 0.00 0.00 175.76 176.21 1aoq n TRP 429 N 5.24 -0.77 -4.95 0.00 5.03 0.84 -4.88 117.44 117.95 1aoq n TRP 429 Ca 0.17 0.00 -0.31 0.00 3.03 0.00 0.00 57.50 60.39 1aoq n TRP 429 Cb 0.38 -3.88 -0.14 0.00 -1.03 0.00 0.00 31.31 26.63 1aoq n TRP 429 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1aoq s LYS 430 N -4.76 2.07 -0.45 -0.99 1.02 -1.13 -4.85 119.74 110.65 1aoq s LYS 430 Ca 0.00 -0.96 -0.28 0.00 0.02 0.00 0.00 55.97 54.74 1aoq s LYS 430 Cb 0.00 -2.11 0.01 0.00 -0.52 0.00 0.00 37.83 35.20 1aoq s LYS 430 CO 0.00 0.55 1.47 0.42 -0.92 0.00 0.00 175.35 176.87 1aoq s ILE 431 N -0.77 3.80 -0.11 2.17 -1.09 -1.26 -2.26 121.20 121.68 1aoq s ILE 431 Ca 0.12 0.78 0.15 0.00 -2.23 0.00 0.00 60.65 59.46 1aoq s ILE 431 Cb -0.10 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 1aoq s ILE 431 CO 0.02 -0.84 1.18 -0.07 -1.23 0.00 0.00 174.94 174.00 1aoq h LEU 432 N 12.79 0.00 -7.00 2.97 3.38 -0.90 -3.48 115.31 123.07 1aoq h LEU 432 Ca -0.28 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1aoq h LEU 432 Cb 1.11 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.67 1aoq h LEU 432 CO 1.11 0.59 0.33 -0.62 0.09 0.00 0.00 178.44 179.94 1aoq s ASP 433 N -6.23 -0.53 -0.10 -0.43 2.15 -1.24 -5.00 116.67 105.29 1aoq s ASP 433 Ca 0.01 0.44 -0.04 0.00 0.43 0.00 0.00 52.55 53.38 1aoq s ASP 433 Cb 0.08 0.46 0.05 0.00 -0.30 0.00 0.00 42.92 43.21 1aoq s ASP 433 CO 0.78 -0.59 0.22 -0.55 -0.17 0.00 0.00 175.17 174.87 1aoq s SER 434 N -1.54 0.04 0.05 -0.34 0.15 -1.26 -1.36 113.70 109.44 1aoq s SER 434 Ca -0.05 0.48 -0.10 0.00 0.70 0.00 0.00 55.95 56.98 1aoq s SER 434 Cb -0.00 0.43 0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1aoq s SER 434 CO 0.02 -0.19 0.22 0.72 1.20 0.00 0.00 173.24 175.21 1aoq s PHE 435 N 1.66 0.04 0.37 3.44 -0.12 -0.54 -4.93 117.98 117.88 1aoq s PHE 435 Ca -0.05 -0.28 -0.25 0.00 -0.05 0.00 0.00 56.93 56.31 1aoq s PHE 435 Cb -0.11 -0.01 -0.10 0.00 -0.63 0.00 0.00 43.02 42.18 1aoq s PHE 435 CO -0.08 -0.47 0.99 -1.25 -0.05 0.00 0.00 175.22 174.37 1aoq s PRO 436 N -2.79 4.38 0.00 1.99 0.04 -1.26 -0.26 135.00 137.10 1aoq s PRO 436 Ca -0.03 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1aoq s PRO 436 Cb -0.00 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.91 1aoq s PRO 436 CO -0.05 0.08 0.00 0.00 0.04 0.00 0.00 177.00 177.07 1aoq n ALA 437 N 0.18 0.00 -0.06 8.56 0.00 0.32 -4.90 120.51 124.60 1aoq n ALA 437 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.38 1aoq n ALA 437 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 1aoq n ALA 437 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1aoq h LEU 438 N 0.00 0.29 0.00 0.00 3.38 -1.89 -3.49 115.31 113.61 1aoq h LEU 438 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1aoq h LEU 438 Cb 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1aoq h LEU 438 CO 0.00 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.43 1aoq n GLY 439 N -0.94 -1.64 3.66 0.83 0.00 -1.26 -5.04 105.19 100.81 1aoq n GLY 439 Ca -0.03 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 1aoq n GLY 439 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aoq s GLY 440 N 0.00 1.58 0.00 -0.02 0.00 -1.26 -4.06 107.32 103.56 1aoq s GLY 440 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.08 1aoq s GLY 440 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 173.10 173.79 1aoq n GLY 441 N -1.25 0.49 3.78 0.20 0.00 0.24 -3.65 105.19 105.00 1aoq n GLY 441 Ca 0.08 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 1aoq n GLY 441 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1aoq s SER 442 N -2.81 6.63 0.00 1.61 0.15 -0.83 -0.56 113.70 117.89 1aoq s SER 442 Ca 0.00 2.07 0.00 0.00 0.70 0.00 0.00 55.95 58.72 1aoq s SER 442 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1aoq s SER 442 CO 0.00 -0.58 0.00 0.18 1.20 0.00 0.00 173.24 174.04 1aoq n LEU 443 N -0.22 1.92 -3.92 3.45 4.77 -1.26 -3.48 117.00 118.27 1aoq n LEU 443 Ca 0.06 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.90 1aoq n LEU 443 Cb 0.50 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.45 1aoq n LEU 443 CO 0.45 0.32 -0.38 -0.36 -1.33 0.00 0.00 177.39 176.09 1aoq s PHE 444 N -1.90 0.24 0.03 -1.77 0.08 -1.26 -4.25 117.98 109.16 1aoq s PHE 444 Ca 0.00 -0.07 0.09 0.00 0.12 0.00 0.00 56.93 57.07 1aoq s PHE 444 Cb 0.00 -0.16 -0.03 0.00 -0.57 0.00 0.00 43.02 42.27 1aoq s PHE 444 CO 0.00 -0.01 -0.25 -1.50 -0.10 0.00 0.00 175.22 173.36 1aoq s ILE 445 N -0.12 2.21 -0.07 0.64 2.07 -1.26 -2.13 121.20 122.54 1aoq s ILE 445 Ca 0.00 -1.30 -0.17 0.00 -1.41 0.00 0.00 60.65 57.78 1aoq s ILE 445 Cb -0.01 -1.85 0.04 0.00 0.13 0.00 0.00 42.46 40.76 1aoq s ILE 445 CO -0.00 0.41 0.40 -0.75 -1.91 0.00 0.00 174.94 173.09 1aoq s LYS 446 N -1.12 0.65 0.38 3.50 2.47 0.49 -4.43 119.74 121.69 1aoq s LYS 446 Ca 0.12 0.15 -0.08 0.00 -1.56 0.00 0.00 55.97 54.59 1aoq s LYS 446 Cb -0.10 0.30 0.03 0.00 -1.46 0.00 0.00 37.83 36.60 1aoq s LYS 446 CO 0.02 -0.16 0.65 -0.08 0.16 0.00 0.00 175.35 175.94 1aoq s THR 447 N -0.75 0.00 -0.01 3.43 -1.32 -1.26 -0.63 115.64 115.10 1aoq s THR 447 Ca -0.08 -1.29 -0.19 0.00 -1.21 0.00 0.00 61.69 58.92 1aoq s THR 447 Cb -0.04 -2.84 0.03 0.00 -1.51 0.00 0.00 72.50 68.14 1aoq s THR 447 CO 0.04 0.00 0.40 -2.28 -2.21 0.00 0.00 174.62 170.57 1aoq s HIS 448 N -2.49 -0.29 0.60 9.09 2.46 -1.26 -4.72 115.29 118.68 1aoq s HIS 448 Ca 0.23 0.43 0.31 0.00 0.47 0.00 0.00 55.06 56.50 1aoq s HIS 448 Cb -0.03 0.18 1.78 0.00 -0.13 0.00 0.00 32.58 34.38 1aoq s HIS 448 CO 0.17 -0.46 2.15 -1.35 -2.47 0.00 0.00 174.74 172.77 1aoq h PRO 449 N 3.56 0.00 -0.08 2.88 0.11 -1.93 -0.64 132.00 135.90 1aoq h PRO 449 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1aoq h PRO 449 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1aoq h PRO 449 CO 0.40 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.28 1aoq n ASN 450 N -3.65 2.27 -4.61 -2.05 3.02 -1.26 -4.91 115.26 104.07 1aoq n ASN 450 Ca -0.00 -1.76 -0.28 0.00 -0.03 0.00 0.00 54.58 52.50 1aoq n ASN 450 Cb 0.26 -0.04 -0.09 0.00 -0.61 0.00 0.00 39.78 39.30 1aoq n ASN 450 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1aoq s SER 451 N -1.89 4.52 0.00 6.41 0.15 -0.25 -4.91 113.70 117.73 1aoq s SER 451 Ca 0.34 -0.40 0.15 0.00 0.70 0.00 0.00 55.95 56.74 1aoq s SER 451 Cb 0.20 -0.89 0.42 0.00 -1.71 0.00 0.00 66.02 64.04 1aoq s SER 451 CO 0.31 0.14 1.35 0.00 1.20 0.00 0.00 173.24 176.24 1aoq n GLN 452 N 0.37 2.73 -4.58 5.44 10.64 -1.26 -4.66 117.38 126.06 1aoq n GLN 452 Ca -0.12 -2.25 -0.32 0.00 -1.83 0.00 0.00 57.00 52.49 1aoq n GLN 452 Cb 0.53 -1.38 -0.11 0.00 -0.86 0.00 0.00 30.24 28.42 1aoq n GLN 452 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1aoq s TYR 453 N -1.02 2.75 -0.23 2.61 2.02 -1.26 -0.41 117.35 121.81 1aoq s TYR 453 Ca 0.33 -0.13 -0.02 0.00 -0.37 0.00 0.00 57.07 56.88 1aoq s TYR 453 Cb 0.17 -1.56 0.01 0.00 -0.40 0.00 0.00 41.96 40.18 1aoq s TYR 453 CO 0.23 0.31 -0.06 -1.17 -1.57 0.00 0.00 175.55 173.28 1aoq s LEU 454 N -1.34 3.01 -0.15 -1.29 2.96 -0.35 -4.49 118.68 117.02 1aoq s LEU 454 Ca 0.16 -0.69 -0.07 0.00 -0.22 0.00 0.00 54.13 53.30 1aoq s LEU 454 Cb -0.11 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 1aoq s LEU 454 CO 0.06 -0.08 0.10 -0.31 -1.32 0.00 0.00 176.35 174.79 1aoq s TYR 455 N 1.38 3.39 -0.07 5.38 1.51 0.20 -0.77 117.35 128.36 1aoq s TYR 455 Ca 0.03 0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 56.38 1aoq s TYR 455 Cb -0.15 -2.02 0.03 0.00 -0.11 0.00 0.00 41.96 39.70 1aoq s TYR 455 CO -0.05 0.42 -0.02 0.08 -1.11 0.00 0.00 175.55 174.87 1aoq s VAL 456 N -0.25 0.51 0.82 0.71 1.01 0.14 -0.38 120.40 122.96 1aoq s VAL 456 Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 1aoq s VAL 456 Cb -0.12 -0.61 0.17 0.00 0.00 0.00 0.00 36.38 35.82 1aoq s VAL 456 CO 0.01 0.27 1.12 1.51 0.00 0.00 0.00 175.10 178.01 1aoq s ASP 457 N 1.65 3.77 -0.36 3.32 1.47 -0.90 -0.82 116.67 124.80 1aoq s ASP 457 Ca 0.01 -0.33 0.13 0.00 1.18 0.00 0.00 52.55 53.54 1aoq s ASP 457 Cb -0.13 0.16 0.42 0.00 -0.34 0.00 0.00 42.92 43.03 1aoq s ASP 457 CO -0.04 -2.27 1.23 0.00 0.68 0.00 0.00 175.17 174.77 1aoq n ALA 458 N -3.18 2.22 -0.29 2.11 0.00 -1.26 -4.36 120.51 115.75 1aoq n ALA 458 Ca 0.17 -1.95 0.10 0.00 0.00 0.00 0.00 53.44 51.75 1aoq n ALA 458 Cb 0.60 -0.95 0.23 0.00 0.00 0.00 0.00 19.45 19.33 1aoq n ALA 458 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1aoq h THR 459 N 2.81 0.24 -0.52 0.00 2.02 -1.58 -1.77 112.91 114.12 1aoq h THR 459 Ca -0.23 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1aoq h THR 459 Cb 1.26 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1aoq h THR 459 CO 0.12 0.02 0.00 0.18 0.37 0.00 0.00 175.52 176.21 1aoq n LEU 460 N -5.36 2.84 -4.76 2.58 4.77 0.27 -4.76 117.00 112.59 1aoq n LEU 460 Ca 0.18 -1.42 -0.41 0.00 -0.03 0.00 0.00 56.01 54.33 1aoq n LEU 460 Cb 0.60 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1aoq n LEU 460 CO 0.02 0.69 1.11 0.21 -1.33 0.00 0.00 177.39 178.09 1aoq s ASN 461 N -0.98 6.54 0.22 -1.43 3.84 -0.66 -4.72 114.94 117.74 1aoq s ASN 461 Ca 0.35 2.83 0.20 0.00 0.21 0.00 0.00 52.86 56.45 1aoq s ASN 461 Cb 0.19 -2.64 0.90 0.00 -0.55 0.00 0.00 41.25 39.14 1aoq s ASN 461 CO 0.23 -0.75 1.61 -0.81 -2.79 0.00 0.00 177.10 174.59 1aoq n PRO 462 N 1.48 0.14 -3.53 0.43 -0.04 -1.26 -4.48 135.00 127.74 1aoq n PRO 462 Ca 0.04 0.45 -0.38 0.00 -0.04 0.00 0.00 63.50 63.56 1aoq n PRO 462 Cb 0.40 -1.81 -0.10 0.00 -0.04 0.00 0.00 33.50 31.94 1aoq n PRO 462 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1aoq s GLU 463 N -3.30 3.95 0.25 0.54 2.12 -1.26 -4.99 118.70 116.01 1aoq s GLU 463 Ca 0.03 -0.23 -0.03 0.00 0.36 0.00 0.00 54.97 55.10 1aoq s GLU 463 Cb 0.08 -3.67 0.51 0.00 0.26 0.00 0.00 34.13 31.31 1aoq s GLU 463 CO 0.30 -0.22 1.70 0.00 -0.54 0.00 0.00 175.26 176.50 1aoq h ALA 464 N 8.32 1.08 -0.80 6.30 0.00 -1.98 -0.14 119.26 132.04 1aoq h ALA 464 Ca -0.34 0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.82 1aoq h ALA 464 Cb 1.18 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 1aoq h ALA 464 CO 0.58 -0.29 0.45 1.49 0.00 0.00 0.00 179.25 181.48 1aoq h GLU 465 N 0.36 0.73 0.00 0.00 4.57 -1.96 -1.44 114.58 116.84 1aoq h GLU 465 Ca 0.44 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.57 1aoq h GLU 465 Cb 0.74 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1aoq h GLU 465 CO -0.47 0.48 -0.04 0.82 -1.18 0.00 0.00 179.01 178.62 1aoq h ILE 466 N 0.75 1.70 0.00 2.32 2.04 -1.59 -3.30 117.51 119.43 1aoq h ILE 466 Ca 0.39 -2.12 -0.00 0.00 1.00 0.00 0.00 64.86 64.13 1aoq h ILE 466 Cb 0.38 3.14 -0.00 0.00 -0.74 0.00 0.00 36.82 39.59 1aoq h ILE 466 CO -0.26 0.55 -0.00 0.77 0.00 0.00 0.00 178.15 179.21 1aoq h SER 467 N -0.86 0.00 -0.64 1.72 4.64 -0.96 -0.51 113.55 116.95 1aoq h SER 467 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1aoq h SER 467 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1aoq h SER 467 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1aoq n GLY 468 N -1.11 2.74 3.35 -0.77 0.00 -0.55 -1.09 105.19 107.76 1aoq n GLY 468 Ca -0.03 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 1aoq n GLY 468 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aoq s SER 469 N -0.87 1.72 0.01 1.61 0.01 -0.20 -1.16 113.70 114.82 1aoq s SER 469 Ca 0.52 -1.32 0.03 0.00 1.31 0.00 0.00 55.95 56.49 1aoq s SER 469 Cb 0.34 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.61 1aoq s SER 469 CO 0.23 -0.62 -0.09 -0.69 0.41 0.00 0.00 173.24 172.49 1aoq s VAL 470 N -3.52 0.68 -0.05 3.43 1.01 -0.52 -4.10 120.40 117.34 1aoq s VAL 470 Ca 0.34 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.67 1aoq s VAL 470 Cb 0.07 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 1aoq s VAL 470 CO 0.12 0.09 0.33 0.00 0.00 0.00 0.00 175.10 175.63 1aoq s ALA 471 N -0.42 3.73 -0.14 5.51 0.00 0.00 -0.57 121.76 129.89 1aoq s ALA 471 Ca 0.01 -0.35 -0.00 0.00 0.00 0.00 0.00 51.96 51.62 1aoq s ALA 471 Cb -0.05 -2.28 0.03 0.00 0.00 0.00 0.00 23.12 20.82 1aoq s ALA 471 CO -0.00 0.48 -0.09 0.08 0.00 0.00 0.00 175.76 176.22 1aoq s VAL 472 N -0.89 1.23 -0.07 0.00 1.01 0.44 -0.69 120.40 121.43 1aoq s VAL 472 Ca 0.21 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 1aoq s VAL 472 Cb -0.15 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1aoq s VAL 472 CO 0.10 0.34 0.15 -0.36 0.00 0.00 0.00 175.10 175.33 1aoq s PHE 473 N 1.62 3.55 -0.55 5.22 0.08 0.05 -1.07 117.98 126.88 1aoq s PHE 473 Ca 0.04 0.44 -0.20 0.00 0.12 0.00 0.00 56.93 57.33 1aoq s PHE 473 Cb -0.13 -1.88 0.07 0.00 -0.57 0.00 0.00 43.02 40.51 1aoq s PHE 473 CO -0.09 0.69 0.69 0.34 -0.10 0.00 0.00 175.22 176.75 1aoq s ASP 474 N -1.42 6.21 0.31 1.36 -1.08 -1.26 -1.21 116.67 119.58 1aoq s ASP 474 Ca 0.20 -1.04 0.02 0.00 -0.52 0.00 0.00 52.55 51.20 1aoq s ASP 474 Cb -0.12 -2.31 0.57 0.00 -1.46 0.00 0.00 42.92 39.59 1aoq s ASP 474 CO 0.10 -1.02 1.90 0.40 0.52 0.00 0.00 175.17 177.07 1aoq h ILE 475 N 5.90 1.03 0.00 4.11 2.04 -1.10 -1.48 117.51 128.00 1aoq h ILE 475 Ca -0.28 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1aoq h ILE 475 Cb 1.09 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1aoq h ILE 475 CO 1.03 0.18 -0.10 0.11 0.00 0.00 0.00 178.15 179.37 1aoq h LYS 476 N 0.99 0.00 -0.00 2.37 1.57 -1.92 -1.91 116.57 117.67 1aoq h LYS 476 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1aoq h LYS 476 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1aoq h LYS 476 CO -0.16 0.10 -0.29 0.00 -0.57 0.00 0.00 179.45 178.53 1aoq n ALA 477 N -2.43 3.06 -2.03 3.86 0.00 -0.57 -4.89 120.51 117.49 1aoq n ALA 477 Ca -0.03 -0.26 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 1aoq n ALA 477 Cb 0.18 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 1aoq n ALA 477 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1aoq s MET 478 N -2.95 4.25 0.55 0.00 -1.94 -0.72 -5.02 119.30 113.47 1aoq s MET 478 Ca 0.14 2.22 0.03 0.00 -1.71 0.00 0.00 55.69 56.37 1aoq s MET 478 Cb 0.18 -3.38 0.03 0.00 2.01 0.00 0.00 34.83 33.68 1aoq s MET 478 CO 0.62 -0.60 0.29 0.25 -0.01 0.00 0.00 175.02 175.57 1aoq n THR 479 N 4.30 0.00 -1.37 2.05 -2.24 -1.26 -4.56 114.28 111.20 1aoq n THR 479 Ca 0.14 -2.32 -0.01 0.00 -2.27 0.00 0.00 64.05 59.59 1aoq n THR 479 Cb 0.41 0.15 0.21 0.00 -2.10 0.00 0.00 70.33 69.00 1aoq n THR 479 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aoq n GLY 480 N -1.63 4.78 0.00 3.38 0.00 -1.26 -4.74 105.19 105.71 1aoq n GLY 480 Ca -0.08 -1.20 0.06 0.00 0.00 0.00 0.00 46.02 44.80 1aoq n GLY 480 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1aoq n ASP 481 N -1.04 0.00 0.00 1.61 5.75 -1.26 -4.86 116.55 116.75 1aoq n ASP 481 Ca 0.29 -0.77 0.00 0.00 -0.01 0.00 0.00 54.79 54.30 1aoq n ASP 481 Cb 0.97 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.06 1aoq n ASP 481 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aoq n GLY 482 N 0.11 2.66 3.79 6.12 0.00 -1.26 -4.99 105.19 111.62 1aoq n GLY 482 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1aoq n GLY 482 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aoq s SER 483 N -2.59 2.74 -0.24 1.61 1.04 -1.26 -5.01 113.70 109.98 1aoq s SER 483 Ca 0.00 0.63 -0.16 0.00 0.48 0.00 0.00 55.95 56.90 1aoq s SER 483 Cb 0.00 -0.94 -0.04 0.00 0.10 0.00 0.00 66.02 65.14 1aoq s SER 483 CO 0.00 -3.00 0.42 -1.81 0.98 0.00 0.00 173.24 169.84 1aoq s ASP 484 N -4.31 6.39 0.45 7.02 1.01 -1.26 -5.02 116.67 120.96 1aoq s ASP 484 Ca 0.69 0.46 -0.24 0.00 0.71 0.00 0.00 52.55 54.17 1aoq s ASP 484 Cb -0.10 -2.24 -0.07 0.00 1.01 0.00 0.00 42.92 41.52 1aoq s ASP 484 CO 0.54 -0.17 1.26 -2.16 0.21 0.00 0.00 175.17 174.86 1aoq s PRO 485 N 1.80 3.72 0.67 8.23 0.04 -1.26 -5.00 135.00 143.20 1aoq s PRO 485 Ca 0.19 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.15 1aoq s PRO 485 Cb -0.15 -2.53 -0.01 0.00 0.04 0.00 0.00 34.50 31.85 1aoq s PRO 485 CO 0.09 -0.66 1.06 -1.21 0.04 0.00 0.00 177.00 176.32 1aoq s GLU 486 N -2.54 3.13 0.03 4.56 2.02 -1.26 -4.93 118.70 119.71 1aoq s GLU 486 Ca 0.62 0.72 -0.01 0.00 0.02 0.00 0.00 54.97 56.33 1aoq s GLU 486 Cb -0.35 -2.03 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 1aoq s GLU 486 CO 0.44 -0.90 -0.02 -0.59 0.02 0.00 0.00 175.26 174.20 1aoq s PHE 487 N -3.18 0.34 -0.02 1.61 -0.12 -1.26 -4.49 117.98 110.85 1aoq s PHE 487 Ca 0.57 -0.70 -0.08 0.00 -0.05 0.00 0.00 56.93 56.67 1aoq s PHE 487 Cb -0.12 -0.25 -0.05 0.00 -0.63 0.00 0.00 43.02 41.97 1aoq s PHE 487 CO 0.54 -0.26 0.27 0.21 -0.05 0.00 0.00 175.22 175.93 1aoq s LYS 488 N -2.31 3.61 -0.26 1.99 2.20 -0.24 -4.86 119.74 119.88 1aoq s LYS 488 Ca -0.08 -0.00 -0.08 0.00 -0.36 0.00 0.00 55.97 55.45 1aoq s LYS 488 Cb -0.04 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 33.13 1aoq s LYS 488 CO -0.04 0.68 0.10 0.99 -0.36 0.00 0.00 175.35 176.72 1aoq s THR 489 N -1.21 4.58 -0.26 3.43 2.01 -1.26 -0.42 115.64 122.51 1aoq s THR 489 Ca 0.25 -0.08 -0.13 0.00 0.31 0.00 0.00 61.69 62.04 1aoq s THR 489 Cb -0.13 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 1aoq s THR 489 CO 0.13 0.32 0.26 -0.76 -0.69 0.00 0.00 174.62 173.89 1aoq s LEU 490 N 1.62 4.06 -1.44 4.42 1.43 0.27 -4.95 118.68 124.09 1aoq s LEU 490 Ca 0.06 0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.21 1aoq s LEU 490 Cb -0.15 -2.26 0.05 0.00 0.03 0.00 0.00 46.19 43.86 1aoq s LEU 490 CO 0.05 -0.07 2.29 -0.81 0.23 0.00 0.00 176.35 178.04 1aoq n PRO 491 N 4.92 3.27 -0.07 1.29 -0.04 -1.26 -1.44 135.00 141.68 1aoq n PRO 491 Ca -0.12 -2.78 -0.07 0.00 -0.04 0.00 0.00 63.50 60.49 1aoq n PRO 491 Cb 0.51 -3.09 -0.01 0.00 -0.04 0.00 0.00 33.50 30.88 1aoq n PRO 491 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1aoq h ILE 492 N 3.68 0.54 -0.78 0.52 1.08 -1.88 -0.34 117.51 120.33 1aoq h ILE 492 Ca 0.59 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 65.03 1aoq h ILE 492 Cb 0.55 0.54 -0.04 0.00 -3.07 0.00 0.00 36.82 34.81 1aoq h ILE 492 CO 1.79 0.00 0.37 0.00 -0.69 0.00 0.00 178.15 179.62 1aoq h ALA 493 N 1.10 1.19 -0.62 1.87 0.00 -1.46 -2.01 119.26 119.33 1aoq h ALA 493 Ca 0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1aoq h ALA 493 Cb 0.34 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1aoq h ALA 493 CO -0.36 0.62 0.22 1.49 0.00 0.00 0.00 179.25 181.22 1aoq h GLU 494 N 1.11 0.94 -0.04 0.00 4.81 -1.64 -2.23 114.58 117.52 1aoq h GLU 494 Ca 0.27 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1aoq h GLU 494 Cb 0.12 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1aoq h GLU 494 CO -0.03 0.82 -0.10 -1.49 -0.73 0.00 0.00 179.01 177.47 1aoq h TRP 495 N 0.87 0.06 0.00 0.92 6.55 -0.50 -2.18 115.95 121.66 1aoq h TRP 495 Ca 0.20 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.04 1aoq h TRP 495 Cb 0.25 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.53 1aoq h TRP 495 CO 0.02 0.16 0.00 0.00 -1.05 0.00 0.00 178.44 177.57 1aoq h ALA 496 N 1.85 1.00 -5.83 1.49 0.00 -0.75 -3.48 119.26 113.53 1aoq h ALA 496 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.57 1aoq h ALA 496 Cb 0.22 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.13 1aoq h ALA 496 CO 0.01 0.00 -0.84 0.41 0.00 0.00 0.00 179.25 178.83 1aoq n GLY 497 N 0.64 -0.64 3.46 0.00 0.00 -0.82 -5.00 105.19 102.83 1aoq n GLY 497 Ca 0.04 0.29 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 1aoq n GLY 497 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aoq s ILE 498 N -3.49 3.86 -0.07 -0.61 1.01 -1.26 -5.05 121.20 115.59 1aoq s ILE 498 Ca 0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.48 1aoq s ILE 498 Cb -0.04 -2.71 -0.00 0.00 0.01 0.00 0.00 42.46 39.72 1aoq s ILE 498 CO 0.78 0.47 -0.01 0.71 0.00 0.00 0.00 174.94 176.88 1aoq h THR 499 N 5.28 0.00 -4.07 2.92 1.35 -1.94 -3.48 112.91 112.96 1aoq h THR 499 Ca -0.33 -0.68 -0.48 0.00 -0.55 0.00 0.00 66.41 64.37 1aoq h THR 499 Cb 1.18 0.00 0.04 0.00 -1.73 0.00 0.00 68.15 67.65 1aoq h THR 499 CO 0.62 0.00 0.41 -1.83 -0.25 0.00 0.00 175.52 174.46 1aoq s GLU 500 N -1.42 3.67 0.28 4.72 1.03 -1.26 -4.91 118.70 120.82 1aoq s GLU 500 Ca -0.01 1.47 0.00 0.00 0.03 0.00 0.00 54.97 56.46 1aoq s GLU 500 Cb 0.00 -2.10 0.00 0.00 -0.80 0.00 0.00 34.13 31.23 1aoq s GLU 500 CO 0.01 -0.56 0.00 0.41 -1.33 0.00 0.00 175.26 173.80 1aoq n GLY 501 N -0.06 -1.95 3.11 -3.83 0.00 -1.26 -4.59 105.19 96.61 1aoq n GLY 501 Ca 0.10 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 1aoq n GLY 501 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1aoq n GLN 502 N -3.52 2.72 -1.88 1.61 7.27 -1.26 -5.07 117.38 117.24 1aoq n GLN 502 Ca -0.00 -4.48 -0.39 0.00 0.07 0.00 0.00 57.00 52.20 1aoq n GLN 502 Cb 0.49 -2.42 0.02 0.00 2.41 0.00 0.00 30.24 30.74 1aoq n GLN 502 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1aoq s PRO 503 N -1.42 3.45 -0.10 3.69 0.04 -1.26 -4.95 135.00 134.45 1aoq s PRO 503 Ca 0.28 2.22 -0.01 0.00 0.04 0.00 0.00 61.00 63.53 1aoq s PRO 503 Cb -0.07 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 1aoq s PRO 503 CO -0.12 -0.94 -0.05 1.03 0.04 0.00 0.00 177.00 176.96 1aoq s ARG 504 N -2.69 3.10 0.02 4.56 0.52 -0.27 -4.49 118.95 119.71 1aoq s ARG 504 Ca 0.66 -0.52 -0.22 0.00 -0.52 0.00 0.00 55.73 55.13 1aoq s ARG 504 Cb -0.40 -2.73 -0.06 0.00 0.52 0.00 0.00 34.95 32.29 1aoq s ARG 504 CO 0.48 0.52 0.66 0.08 0.02 0.00 0.00 175.30 177.07 1aoq s VAL 505 N -0.41 4.82 -0.12 3.52 1.01 -0.25 -0.36 120.40 128.60 1aoq s VAL 505 Ca 0.06 1.40 -0.12 0.00 0.00 0.00 0.00 61.98 63.33 1aoq s VAL 505 Cb -0.12 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.28 1aoq s VAL 505 CO 0.02 0.41 0.34 0.54 0.00 0.00 0.00 175.10 176.41 1aoq s VAL 506 N -0.21 0.00 -0.06 2.92 0.11 -0.16 -3.87 120.40 119.14 1aoq s VAL 506 Ca 0.34 -0.04 -0.05 0.00 -2.93 0.00 0.00 61.98 59.30 1aoq s VAL 506 Cb -0.19 -0.49 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 1aoq s VAL 506 CO 0.20 -0.02 0.09 1.67 -3.33 0.00 0.00 175.10 173.71 1aoq n GLN 507 N 2.76 -4.14 -2.79 1.54 7.27 -1.26 -1.79 117.38 118.96 1aoq n GLN 507 Ca -0.14 3.07 -0.36 0.00 0.07 0.00 0.00 57.00 59.65 1aoq n GLN 507 Cb 0.57 -4.09 -0.07 0.00 2.41 0.00 0.00 30.24 29.06 1aoq n GLN 507 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1aoq s GLY 508 N -0.51 2.66 -0.14 1.69 0.00 -1.26 -4.22 107.32 105.55 1aoq s GLY 508 Ca -0.11 0.48 -0.06 0.00 0.00 0.00 0.00 44.72 45.03 1aoq s GLY 508 CO 0.29 0.87 0.32 1.85 0.00 0.00 0.00 173.10 176.42 1aoq s GLU 509 N -2.44 0.26 0.47 2.90 2.56 -0.33 -4.90 118.70 117.22 1aoq s GLU 509 Ca 0.54 0.71 -0.07 0.00 0.00 0.00 0.00 54.97 56.15 1aoq s GLU 509 Cb -0.15 -0.03 -0.04 0.00 2.00 0.00 0.00 34.13 35.91 1aoq s GLU 509 CO 0.20 -0.20 0.79 -0.06 -0.56 0.00 0.00 175.26 175.43 1aoq s PHE 510 N 1.69 3.55 0.94 5.30 0.40 -1.26 -0.12 117.98 128.48 1aoq s PHE 510 Ca -0.06 0.88 -0.15 0.00 -0.60 0.00 0.00 56.93 56.99 1aoq s PHE 510 Cb -0.10 -2.35 0.19 0.00 0.51 0.00 0.00 43.02 41.26 1aoq s PHE 510 CO -0.10 -0.26 1.30 0.54 0.70 0.00 0.00 175.22 177.40 1aoq s ASN 511 N -3.91 3.29 0.27 1.36 4.22 -0.71 -4.63 114.94 114.82 1aoq s ASN 511 Ca 0.48 0.31 -0.04 0.00 -2.14 0.00 0.00 52.86 51.48 1aoq s ASN 511 Cb -0.10 -0.41 0.35 0.00 1.28 0.00 0.00 41.25 42.37 1aoq s ASN 511 CO 0.42 -2.63 1.92 0.50 -2.04 0.00 0.00 177.10 175.28 1aoq h LYS 512 N -1.56 1.22 0.00 3.55 3.64 -1.87 -2.22 116.57 119.32 1aoq h LYS 512 Ca -0.44 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1aoq h LYS 512 Cb 1.25 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1aoq h LYS 512 CO 0.41 0.80 0.00 -0.25 -2.27 0.00 0.00 179.45 178.15 1aoq n ASP 513 N -4.43 0.44 -1.23 4.20 8.00 -1.26 -4.91 116.55 117.36 1aoq n ASP 513 Ca 0.13 0.55 -0.11 0.00 0.71 0.00 0.00 54.79 56.07 1aoq n ASP 513 Cb 0.08 -0.67 -0.00 0.00 -0.02 0.00 0.00 41.12 40.51 1aoq n ASP 513 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aoq n GLY 514 N 1.17 -0.06 0.00 0.44 0.00 -0.84 -4.77 105.19 101.13 1aoq n GLY 514 Ca 0.06 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.72 1aoq n GLY 514 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aoq n THR 515 N -4.00 0.00 -3.87 2.61 -2.24 -1.26 -4.29 114.28 101.23 1aoq n THR 515 Ca -0.12 -0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.37 1aoq n THR 515 Cb 0.59 0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 69.53 1aoq n THR 515 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1aoq s GLU 516 N -2.67 0.33 -0.05 -0.78 2.02 -1.26 -1.75 118.70 114.54 1aoq s GLU 516 Ca 0.04 -0.21 0.04 0.00 0.02 0.00 0.00 54.97 54.86 1aoq s GLU 516 Cb 0.12 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.49 1aoq s GLU 516 CO 0.68 -0.07 -0.16 0.54 0.02 0.00 0.00 175.26 176.27 1aoq s VAL 517 N -0.83 1.33 0.05 2.63 0.11 -0.65 -1.74 120.40 121.29 1aoq s VAL 517 Ca -0.09 -0.64 0.01 0.00 -2.93 0.00 0.00 61.98 58.32 1aoq s VAL 517 Cb -0.05 -1.16 -0.04 0.00 -1.53 0.00 0.00 36.38 33.60 1aoq s VAL 517 CO 0.01 0.39 0.14 0.26 -3.33 0.00 0.00 175.10 172.56 1aoq s TRP 518 N 0.19 3.36 0.02 1.54 0.52 0.83 -0.56 118.94 124.85 1aoq s TRP 518 Ca -0.07 0.19 0.02 0.00 0.02 0.00 0.00 56.10 56.26 1aoq s TRP 518 Cb -0.12 -1.71 -0.02 0.00 -1.15 0.00 0.00 33.47 30.47 1aoq s TRP 518 CO 0.03 0.56 -0.06 -0.06 0.02 0.00 0.00 176.95 177.44 1aoq s PHE 519 N -1.39 0.56 -0.10 -1.98 0.08 -0.19 -1.19 117.98 113.77 1aoq s PHE 519 Ca 0.30 -0.33 -0.15 0.00 0.12 0.00 0.00 56.93 56.87 1aoq s PHE 519 Cb -0.12 -0.34 -0.05 0.00 -0.57 0.00 0.00 43.02 41.93 1aoq s PHE 519 CO 0.22 -0.06 0.35 -1.12 -0.10 0.00 0.00 175.22 174.52 1aoq s SER 520 N -0.97 6.59 -0.71 1.36 0.01 -0.74 -0.80 113.70 118.44 1aoq s SER 520 Ca -0.05 0.70 -0.10 0.00 1.31 0.00 0.00 55.95 57.81 1aoq s SER 520 Cb -0.07 -2.22 0.19 0.00 0.21 0.00 0.00 66.02 64.13 1aoq s SER 520 CO 0.00 0.16 0.61 -0.69 0.41 0.00 0.00 173.24 173.73 1aoq s VAL 521 N -0.04 4.84 -0.48 3.43 1.01 0.83 -0.99 120.40 129.00 1aoq s VAL 521 Ca 0.20 -2.52 -0.26 0.00 0.00 0.00 0.00 61.98 59.40 1aoq s VAL 521 Cb -0.14 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.21 1aoq s VAL 521 CO 0.08 -0.95 0.96 0.86 0.00 0.00 0.00 175.10 176.05 1aoq s TRP 522 N 0.27 2.88 0.48 5.22 -0.00 0.51 -1.89 118.94 126.41 1aoq s TRP 522 Ca 0.16 0.36 0.04 0.00 -0.00 0.00 0.00 56.10 56.66 1aoq s TRP 522 Cb -0.16 -4.05 -0.03 0.00 -0.00 0.00 0.00 33.47 29.24 1aoq s TRP 522 CO -0.06 -1.17 0.10 1.21 -0.00 0.00 0.00 176.95 177.03 1aoq s ASN 523 N 2.38 4.21 1.01 5.86 3.84 -1.26 -1.11 114.94 129.86 1aoq s ASN 523 Ca 0.37 -1.44 -0.12 0.00 0.21 0.00 0.00 52.86 51.89 1aoq s ASN 523 Cb -0.10 0.15 0.20 0.00 -0.55 0.00 0.00 41.25 40.95 1aoq s ASN 523 CO 0.26 -0.76 1.08 -0.83 -2.79 0.00 0.00 177.10 174.06 1aoq s GLY 524 N -3.91 1.61 0.58 1.21 0.00 -1.26 -4.31 107.32 101.23 1aoq s GLY 524 Ca 0.22 0.09 0.34 0.00 0.00 0.00 0.00 44.72 45.37 1aoq s GLY 524 CO 0.12 0.65 2.16 0.07 0.00 0.00 0.00 173.10 176.10 1aoq h LYS 525 N -2.07 0.00 -0.38 2.90 2.10 -1.97 -1.48 116.57 115.67 1aoq h LYS 525 Ca -0.53 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.05 1aoq h LYS 525 Cb 1.30 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.59 1aoq h LYS 525 CO 0.49 0.05 0.04 -0.25 -2.00 0.00 0.00 179.45 177.78 1aoq n ASP 526 N -3.39 3.96 -4.42 7.07 8.00 -1.26 -4.84 116.55 121.66 1aoq n ASP 526 Ca -0.02 -3.18 -0.21 0.00 0.71 0.00 0.00 54.79 52.09 1aoq n ASP 526 Cb 0.19 -0.61 -0.10 0.00 -0.02 0.00 0.00 41.12 40.58 1aoq n ASP 526 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1aoq s GLN 527 N -2.93 1.63 -0.12 -1.24 -0.21 -0.56 -5.13 119.66 111.10 1aoq s GLN 527 Ca 0.46 -1.90 -0.22 0.00 0.02 0.00 0.00 55.36 53.71 1aoq s GLN 527 Cb 0.38 -0.77 -0.03 0.00 1.00 0.00 0.00 33.01 33.58 1aoq s GLN 527 CO 0.09 -0.21 0.68 -2.00 -2.12 0.00 0.00 175.29 171.72 1aoq s GLU 528 N -3.91 4.35 0.44 2.91 2.12 -1.26 -4.70 118.70 118.65 1aoq s GLU 528 Ca 0.36 0.78 0.02 0.00 0.36 0.00 0.00 54.97 56.50 1aoq s GLU 528 Cb 0.08 -3.50 0.02 0.00 0.26 0.00 0.00 34.13 31.00 1aoq s GLU 528 CO 0.15 -0.06 0.17 0.43 -0.54 0.00 0.00 175.26 175.42 1aoq n SER 529 N 4.28 2.80 -3.64 -1.70 7.64 -1.26 -4.62 113.62 117.12 1aoq n SER 529 Ca -0.01 -2.70 -0.04 0.00 1.01 0.00 0.00 58.87 57.13 1aoq n SER 529 Cb 0.51 0.13 -0.01 0.00 -1.01 0.00 0.00 64.21 63.82 1aoq n SER 529 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aoq s ALA 530 N -2.69 -1.82 -0.09 -0.43 0.00 -0.79 -4.73 121.76 111.21 1aoq s ALA 530 Ca 0.13 0.61 0.04 0.00 0.00 0.00 0.00 51.96 52.74 1aoq s ALA 530 Cb -0.01 0.47 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 1aoq s ALA 530 CO 0.08 -0.89 -0.22 -0.51 0.00 0.00 0.00 175.76 174.22 1aoq s LEU 531 N -2.74 2.22 -0.17 0.00 1.43 -0.55 -0.12 118.68 118.75 1aoq s LEU 531 Ca 0.10 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.69 1aoq s LEU 531 Cb -0.00 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 1aoq s LEU 531 CO -0.03 0.20 -0.08 -0.69 0.23 0.00 0.00 176.35 175.99 1aoq s VAL 532 N 0.09 3.35 -0.26 -1.59 1.01 0.02 -0.25 120.40 122.77 1aoq s VAL 532 Ca -0.10 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 1aoq s VAL 532 Cb -0.16 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1aoq s VAL 532 CO 0.06 0.48 0.10 -0.69 0.00 0.00 0.00 175.10 175.05 1aoq s VAL 533 N 0.77 4.56 -0.12 2.92 1.01 0.27 -1.02 120.40 128.78 1aoq s VAL 533 Ca -0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 1aoq s VAL 533 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1aoq s VAL 533 CO 0.02 0.30 0.08 -0.69 0.00 0.00 0.00 175.10 174.80 1aoq s VAL 534 N 1.65 4.94 -0.39 2.92 1.01 0.28 -0.44 120.40 130.37 1aoq s VAL 534 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 1aoq s VAL 534 Cb -0.15 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.10 1aoq s VAL 534 CO 0.05 0.58 1.13 -0.62 0.00 0.00 0.00 175.10 176.25 1aoq s ASP 535 N -0.69 6.76 0.37 3.32 -1.08 -0.01 -1.64 116.67 123.71 1aoq s ASP 535 Ca 0.12 0.79 0.06 0.00 -0.52 0.00 0.00 52.55 53.01 1aoq s ASP 535 Cb -0.12 -2.55 0.73 0.00 -1.46 0.00 0.00 42.92 39.52 1aoq s ASP 535 CO 0.03 -1.08 1.94 -0.78 0.52 0.00 0.00 175.17 175.80 1aoq h ASP 536 N 8.75 0.43 0.33 -0.34 3.58 -1.66 0.33 116.42 127.84 1aoq h ASP 536 Ca -0.22 -0.06 -0.16 0.00 0.42 0.00 0.00 57.03 57.01 1aoq h ASP 536 Cb 1.06 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 1aoq h ASP 536 CO 1.08 0.45 -0.64 0.11 -2.88 0.00 0.00 179.24 177.36 1aoq h LYS 537 N 0.46 0.30 0.00 0.28 1.79 -1.92 -3.34 116.57 114.14 1aoq h LYS 537 Ca 0.11 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1aoq h LYS 537 Cb 0.21 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1aoq h LYS 537 CO -0.00 0.84 -1.03 0.25 -1.08 0.00 0.00 179.45 178.43 1aoq n THR 538 N -3.86 0.00 -2.55 -0.16 -2.24 -1.15 -4.99 114.28 99.33 1aoq n THR 538 Ca -0.03 -0.23 -0.20 0.00 -2.27 0.00 0.00 64.05 61.32 1aoq n THR 538 Cb 0.65 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 1aoq n THR 538 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1aoq n LEU 539 N -1.58 -2.11 -4.64 3.22 4.77 0.11 -4.99 117.00 111.78 1aoq n LEU 539 Ca 0.01 -0.09 -0.24 0.00 -0.03 0.00 0.00 56.01 55.66 1aoq n LEU 539 Cb 0.28 -2.79 -0.07 0.00 -2.33 0.00 0.00 43.42 38.50 1aoq n LEU 539 CO 0.29 -0.08 -0.34 -1.61 -1.33 0.00 0.00 177.39 174.33 1aoq s GLU 540 N -5.17 2.27 0.23 3.23 2.02 -1.21 -4.91 118.70 115.16 1aoq s GLU 540 Ca 0.09 -1.39 -0.31 0.00 0.02 0.00 0.00 54.97 53.38 1aoq s GLU 540 Cb -0.04 -2.17 -0.11 0.00 0.10 0.00 0.00 34.13 31.91 1aoq s GLU 540 CO 0.11 0.38 1.57 -1.17 0.02 0.00 0.00 175.26 176.16 1aoq s LEU 541 N -3.54 4.37 -0.15 1.80 2.96 -1.26 -0.83 118.68 122.02 1aoq s LEU 541 Ca 0.30 2.77 -0.10 0.00 -0.22 0.00 0.00 54.13 56.89 1aoq s LEU 541 Cb -0.07 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 42.94 1aoq s LEU 541 CO 0.19 -0.84 -0.23 1.17 -1.32 0.00 0.00 176.35 175.32 1aoq n LYS 542 N 2.99 0.37 -3.60 1.98 3.00 0.41 -4.78 118.16 118.53 1aoq n LYS 542 Ca 0.11 0.16 -0.16 0.00 -0.00 0.00 0.00 58.31 58.41 1aoq n LYS 542 Cb 0.38 -1.12 -0.07 0.00 0.00 0.00 0.00 35.03 34.22 1aoq n LYS 542 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1aoq s HIS 543 N -2.39 -0.56 -0.17 5.64 5.04 -0.96 -5.01 115.29 116.87 1aoq s HIS 543 Ca -0.23 1.07 0.00 0.00 -1.54 0.00 0.00 55.06 54.36 1aoq s HIS 543 Cb 0.08 0.30 0.01 0.00 0.04 0.00 0.00 32.58 33.01 1aoq s HIS 543 CO 0.30 -0.50 -0.16 0.08 -2.34 0.00 0.00 174.74 172.13 1aoq s VAL 544 N -0.86 2.49 -0.32 0.89 1.01 -1.26 -0.57 120.40 121.78 1aoq s VAL 544 Ca -0.09 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 1aoq s VAL 544 Cb -0.02 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1aoq s VAL 544 CO 0.07 0.51 0.42 -0.63 0.00 0.00 0.00 175.10 175.47 1aoq s ILE 545 N 1.11 5.12 -0.01 2.22 1.01 0.66 -4.96 121.20 126.35 1aoq s ILE 545 Ca 0.00 0.32 0.03 0.00 0.00 0.00 0.00 60.65 61.00 1aoq s ILE 545 Cb -0.14 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 1aoq s ILE 545 CO -0.06 -0.05 -0.10 -0.54 0.00 0.00 0.00 174.94 174.19 1aoq s LYS 546 N 2.16 0.79 -0.24 2.79 1.02 -1.26 -1.48 119.74 123.53 1aoq s LYS 546 Ca 0.15 -0.36 -0.26 0.00 0.02 0.00 0.00 55.97 55.52 1aoq s LYS 546 Cb -0.16 -0.77 0.11 0.00 -0.52 0.00 0.00 37.83 36.50 1aoq s LYS 546 CO 0.12 0.21 0.97 0.34 -0.92 0.00 0.00 175.35 176.06 1aoq s ASP 547 N -0.26 -0.48 0.54 2.83 -1.08 -1.26 -5.02 116.67 111.95 1aoq s ASP 547 Ca 0.04 0.83 0.22 0.00 -0.52 0.00 0.00 52.55 53.11 1aoq s ASP 547 Cb -0.04 0.80 1.44 0.00 -1.46 0.00 0.00 42.92 43.67 1aoq s ASP 547 CO -0.00 -0.23 2.12 -0.08 0.52 0.00 0.00 175.17 177.50 1aoq h GLU 548 N 3.86 0.00 0.00 4.34 4.22 -2.01 -0.15 114.58 124.85 1aoq h GLU 548 Ca -0.26 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.17 1aoq h GLU 548 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1aoq h GLU 548 CO 0.16 0.00 -0.04 0.00 -2.18 0.00 0.00 179.01 176.95 1aoq h ARG 549 N 0.00 0.00 -4.41 1.92 3.08 -2.02 -3.39 114.38 109.56 1aoq h ARG 549 Ca 0.07 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.46 1aoq h ARG 549 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1aoq h ARG 549 CO -0.00 0.04 2.59 -0.11 -1.07 0.00 0.00 179.97 181.42 1aoq n LEU 550 N -3.12 5.30 -4.72 3.04 7.94 -0.07 -4.92 117.00 120.46 1aoq n LEU 550 Ca 0.03 -3.52 -0.38 0.00 -1.11 0.00 0.00 56.01 51.03 1aoq n LEU 550 Cb 0.48 -1.42 -0.06 0.00 0.53 0.00 0.00 43.42 42.94 1aoq n LEU 550 CO 0.32 0.23 0.18 -0.69 -1.11 0.00 0.00 177.39 176.33 1aoq s VAL 551 N 4.50 5.18 -1.33 1.96 1.01 -1.26 -4.41 120.40 126.05 1aoq s VAL 551 Ca 0.53 0.97 -0.16 0.00 0.00 0.00 0.00 61.98 63.33 1aoq s VAL 551 Cb 0.13 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1aoq s VAL 551 CO 0.03 0.31 0.47 0.35 0.00 0.00 0.00 175.10 176.26 1aoq n THR 552 N 3.74 -2.99 -2.12 3.92 -2.24 -1.26 -3.80 114.28 109.53 1aoq n THR 552 Ca -0.07 -0.63 -0.42 0.00 -2.27 0.00 0.00 64.05 60.67 1aoq n THR 552 Cb 0.51 -2.45 -0.03 0.00 -2.10 0.00 0.00 70.33 66.26 1aoq n THR 552 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1aoq s PRO 553 N -6.95 4.30 0.00 -0.78 0.04 -1.26 -2.00 135.00 128.36 1aoq s PRO 553 Ca 0.26 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1aoq s PRO 553 Cb -0.12 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1aoq s PRO 553 CO 0.94 -0.47 0.00 0.25 0.04 0.00 0.00 177.00 177.76 1aoq n THR 554 N 3.94 0.00 -1.85 1.26 -2.24 -0.66 -4.36 114.28 110.38 1aoq n THR 554 Ca 0.12 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.49 1aoq n THR 554 Cb 0.41 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 1aoq n THR 554 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1aoq s GLY 555 N -0.02 2.29 -0.04 3.38 0.00 -1.26 -4.70 107.32 106.96 1aoq s GLY 555 Ca 0.00 1.51 0.04 0.00 0.00 0.00 0.00 44.72 46.26 1aoq s GLY 555 CO 0.00 2.43 -0.14 0.54 0.00 0.00 0.00 173.10 175.93 1aoq s LYS 556 N -0.70 1.50 -0.13 2.90 1.02 -1.26 -0.46 119.74 122.62 1aoq s LYS 556 Ca 0.61 -0.49 -0.03 0.00 0.02 0.00 0.00 55.97 56.08 1aoq s LYS 556 Cb -0.46 -1.32 0.04 0.00 -0.52 0.00 0.00 37.83 35.57 1aoq s LYS 556 CO 0.49 0.18 0.03 -0.06 -0.92 0.00 0.00 175.35 175.07 1aoq s PHE 557 N 0.15 0.66 0.12 3.18 0.08 -0.12 -4.87 117.98 117.18 1aoq s PHE 557 Ca -0.05 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.32 1aoq s PHE 557 Cb -0.11 -0.83 -0.07 0.00 -0.57 0.00 0.00 43.02 41.44 1aoq s PHE 557 CO 0.02 -0.44 1.15 1.21 -0.10 0.00 0.00 175.22 177.06 1aoq s ASN 558 N 1.98 7.16 0.15 1.36 3.84 -1.26 -0.60 114.94 127.56 1aoq s ASN 558 Ca 0.02 2.07 -0.21 0.00 0.21 0.00 0.00 52.86 54.96 1aoq s ASN 558 Cb -0.14 -2.59 0.03 0.00 -0.55 0.00 0.00 41.25 37.99 1aoq s ASN 558 CO -0.07 -0.35 1.66 0.58 -2.79 0.00 0.00 177.10 176.13 1aoq h VAL 559 N 4.10 0.54 0.03 -5.21 2.07 -1.01 -0.94 116.25 115.83 1aoq h VAL 559 Ca -0.43 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1aoq h VAL 559 Cb 1.21 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1aoq h VAL 559 CO 0.77 0.00 -0.01 0.22 0.02 0.00 0.00 177.57 178.56 1aoq h TYR 560 N -0.15 -0.04 0.00 1.57 3.20 -1.59 -0.52 116.97 119.45 1aoq h TYR 560 Ca 0.13 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 1aoq h TYR 560 Cb 0.35 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1aoq h TYR 560 CO -0.33 0.19 -0.19 -0.91 -1.64 0.00 0.00 178.16 175.29 1aoq h ASN 561 N -0.26 0.00 0.11 -2.11 2.35 -1.81 -1.40 115.58 112.46 1aoq h ASN 561 Ca -0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 1aoq h ASN 561 Cb 0.24 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.63 1aoq h ASN 561 CO 0.01 0.19 -0.77 0.74 -1.65 0.00 0.00 177.43 175.94 1aoq h THR 562 N 0.00 1.47 0.00 2.81 2.02 -1.07 -0.18 112.91 117.96 1aoq h THR 562 Ca -0.00 -2.47 -0.05 0.00 0.77 0.00 0.00 66.41 64.66 1aoq h THR 562 Cb 0.36 3.13 -0.01 0.00 -1.74 0.00 0.00 68.15 69.90 1aoq h THR 562 CO 0.02 0.68 -0.22 0.00 0.37 0.00 0.00 175.52 176.37 1aoq h MET 563 N -0.50 0.00 -0.03 6.66 -0.00 -0.96 -2.84 114.93 117.26 1aoq h MET 563 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.55 1aoq h MET 563 Cb 1.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.13 1aoq h MET 563 CO 0.10 0.22 -0.07 0.25 -0.00 0.00 0.00 176.91 177.41 1aoq n THR 564 N -3.96 0.00 -3.65 -0.10 -2.24 -0.54 -4.78 114.28 99.01 1aoq n THR 564 Ca -0.02 -0.46 -0.21 0.00 -2.27 0.00 0.00 64.05 61.09 1aoq n THR 564 Cb 0.30 1.43 0.04 0.00 -2.10 0.00 0.00 70.33 70.00 1aoq n THR 564 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1aoq n ASP 565 N 1.04 -1.38 -4.36 3.42 8.00 -0.73 -4.93 116.55 117.61 1aoq n ASP 565 Ca 0.12 -0.78 -0.45 0.00 0.71 0.00 0.00 54.79 54.39 1aoq n ASP 565 Cb 0.53 -4.27 -0.06 0.00 -0.02 0.00 0.00 41.12 37.30 1aoq n ASP 565 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1aoq s THR 566 N -3.60 5.10 0.00 -3.53 2.01 -0.16 -4.99 115.64 110.46 1aoq s THR 566 Ca 0.01 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 60.88 1aoq s THR 566 Cb -0.01 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.21 1aoq s THR 566 CO 0.80 -0.82 0.00 0.00 -0.69 0.00 0.00 174.62 173.91