#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aoq s LYS 18 N 0.00 3.17 -0.45 -0.41 1.02 -1.26 -1.63 119.74 120.18 1aoq s LYS 18 Ca 0.00 -0.34 -0.29 0.00 0.02 0.00 0.00 55.97 55.36 1aoq s LYS 18 Cb 0.00 -2.53 0.02 0.00 -0.52 0.00 0.00 37.83 34.80 1aoq s LYS 18 CO 0.00 -0.24 1.27 0.99 -0.92 0.00 0.00 175.35 176.45 1aoq s THR 19 N -2.58 4.06 0.17 2.17 2.01 -1.26 -4.52 115.64 115.69 1aoq s THR 19 Ca 0.47 1.08 0.04 0.00 0.31 0.00 0.00 61.69 63.59 1aoq s THR 19 Cb -0.10 -4.42 -0.04 0.00 0.01 0.00 0.00 72.50 67.95 1aoq s THR 19 CO 0.39 -0.90 0.20 -0.13 -0.69 0.00 0.00 174.62 173.50 1aoq s ARG 20 N 4.70 3.12 0.60 4.92 0.52 -1.26 -5.00 118.95 126.54 1aoq s ARG 20 Ca 0.54 -0.78 0.36 0.00 -0.52 0.00 0.00 55.73 55.33 1aoq s ARG 20 Cb -0.10 -2.76 1.88 0.00 0.52 0.00 0.00 34.95 34.48 1aoq s ARG 20 CO 0.32 0.49 2.20 1.79 0.02 0.00 0.00 175.30 180.12 1aoq h THR 21 N 1.81 0.21 -0.27 0.02 1.35 -1.91 -2.93 112.91 111.19 1aoq h THR 21 Ca -0.48 -0.26 -0.12 0.00 -0.55 0.00 0.00 66.41 65.00 1aoq h THR 21 Cb 1.20 1.20 -0.07 0.00 -1.73 0.00 0.00 68.15 68.75 1aoq h THR 21 CO 0.65 0.03 -0.13 -0.90 -0.25 0.00 0.00 175.52 174.92 1aoq n ASP 22 N -3.32 2.49 -0.29 5.36 5.75 -1.25 -4.52 116.55 120.78 1aoq n ASP 22 Ca -0.02 -3.68 0.01 0.00 -0.01 0.00 0.00 54.79 51.09 1aoq n ASP 22 Cb 0.17 -0.60 0.01 0.00 -1.03 0.00 0.00 41.12 39.67 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 -1.08 0.36 0.00 -1.12 6.94 -1.11 -4.73 115.26 114.53 1aoq n ASN 23 Ca 0.29 -1.84 0.11 0.00 -0.02 0.00 0.00 54.58 53.12 1aoq n ASN 23 Cb 0.95 -0.16 0.01 0.00 -2.36 0.00 0.00 39.78 38.22 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 -0.18 0.05 -0.46 -3.83 1.74 -1.25 -4.21 116.66 108.52 1aoq n ARG 24 Ca 0.02 -0.01 -0.08 0.00 -0.77 0.00 0.00 57.85 57.02 1aoq n ARG 24 Cb 0.61 -1.51 0.08 0.00 -1.02 0.00 0.00 32.46 30.63 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 -1.58 1.14 -3.47 -1.55 4.11 -1.26 -3.12 117.16 111.44 1aoq n TYR 25 Ca 0.04 -0.92 -0.36 0.00 -0.00 0.00 0.00 57.90 56.67 1aoq n TYR 25 Cb 0.35 -0.48 -0.06 0.00 -0.00 0.00 0.00 39.34 39.15 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 -1.35 3.88 -0.00 -3.48 0.41 -1.26 -5.02 118.70 111.88 1aoq s GLU 26 Ca 0.22 0.35 -0.35 0.00 -0.41 0.00 0.00 54.97 54.78 1aoq s GLU 26 Cb 0.18 -3.02 -0.13 0.00 -1.78 0.00 0.00 34.13 29.39 1aoq s GLU 26 CO 0.05 0.55 1.72 -2.30 -0.49 0.00 0.00 175.26 174.79 1aoq n PRO 27 N 1.04 1.99 -3.49 0.39 -0.02 -1.26 -4.90 135.00 128.75 1aoq n PRO 27 Ca -0.08 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 1aoq n PRO 27 Cb 0.52 -2.51 -0.08 0.00 -0.02 0.00 0.00 33.50 31.41 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 2.60 5.87 -1.50 2.55 0.15 -1.26 -3.08 113.70 119.02 1aoq s SER 28 Ca 0.88 -1.66 -0.09 0.00 0.70 0.00 0.00 55.95 55.77 1aoq s SER 28 Cb -0.74 -2.08 -0.05 0.00 -1.71 0.00 0.00 66.02 61.44 1aoq s SER 28 CO 0.48 -0.68 2.87 0.18 1.20 0.00 0.00 173.24 177.29 1aoq n LEU 29 N 5.03 8.50 0.25 3.45 4.77 -0.82 -4.64 117.00 133.55 1aoq n LEU 29 Ca -0.11 -4.44 0.16 0.00 -0.03 0.00 0.00 56.01 51.59 1aoq n LEU 29 Cb 0.42 -1.51 0.58 0.00 -2.33 0.00 0.00 43.42 40.58 1aoq n LEU 29 CO 0.45 2.06 0.95 -2.24 -1.33 0.00 0.00 177.39 177.28 1aoq h ASP 30 N 4.83 0.00 0.21 -1.43 3.04 -1.88 -1.71 116.42 119.49 1aoq h ASP 30 Ca 0.82 0.00 -0.29 0.00 -3.24 0.00 0.00 57.03 54.32 1aoq h ASP 30 Cb 0.33 0.00 0.03 0.00 -1.04 0.00 0.00 39.33 38.65 1aoq h ASP 30 CO 1.67 0.00 -1.30 0.78 -2.04 0.00 0.00 179.24 178.35 1aoq h ASN 31 N 0.00 0.70 0.16 4.15 2.35 -1.85 -3.26 115.58 117.83 1aoq h ASN 31 Ca 0.00 -0.93 -0.09 0.00 -0.55 0.00 0.00 56.30 54.73 1aoq h ASN 31 Cb 0.57 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1aoq h ASN 31 CO 0.00 1.62 -0.32 0.25 -1.65 0.00 0.00 177.43 177.33 1aoq h LEU 32 N -0.03 0.25 -2.59 1.61 5.85 -1.71 -2.55 115.31 116.13 1aoq h LEU 32 Ca -0.23 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 1aoq h LEU 32 Cb 1.99 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.95 1aoq h LEU 32 CO 0.22 0.56 -0.01 0.00 -0.34 0.00 0.00 178.44 178.88 1aoq h ALA 33 N 1.46 1.07 0.00 1.25 0.00 -1.36 -2.16 119.26 119.52 1aoq h ALA 33 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1aoq h ALA 33 Cb 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1aoq h ALA 33 CO 0.05 0.01 0.00 1.96 0.00 0.00 0.00 179.25 181.27 1aoq h GLN 34 N 0.00 0.00 -6.60 0.00 7.50 -1.51 -3.43 115.11 111.07 1aoq h GLN 34 Ca -0.00 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.63 1aoq h GLN 34 Cb 0.12 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.66 1aoq h GLN 34 CO 0.00 0.00 0.54 -0.65 -1.50 0.00 0.00 178.83 177.22 1aoq s GLN 35 N -3.25 4.50 0.22 1.46 -1.52 -0.82 -5.01 119.66 115.23 1aoq s GLN 35 Ca 0.07 1.79 -0.30 0.00 -1.95 0.00 0.00 55.36 54.97 1aoq s GLN 35 Cb 0.10 -3.29 -0.08 0.00 -0.22 0.00 0.00 33.01 29.52 1aoq s GLN 35 CO 0.51 -0.11 1.05 0.16 -0.25 0.00 0.00 175.29 176.66 1aoq s ASP 36 N 0.40 7.38 0.15 5.90 -4.77 -1.26 -5.00 116.67 119.48 1aoq s ASP 36 Ca 0.54 2.08 0.10 0.00 -3.30 0.00 0.00 52.55 51.97 1aoq s ASP 36 Cb -0.31 -2.61 -0.04 0.00 -1.09 0.00 0.00 42.92 38.87 1aoq s ASP 36 CO 0.33 -0.09 -0.23 0.68 0.70 0.00 0.00 175.17 176.57 1aoq s VAL 37 N -0.72 2.10 0.13 2.11 -7.23 -1.26 -5.13 120.40 110.40 1aoq s VAL 37 Ca 0.46 -1.85 -0.19 0.00 -1.81 0.00 0.00 61.98 58.58 1aoq s VAL 37 Cb -0.29 -1.93 -0.07 0.00 0.56 0.00 0.00 36.38 34.65 1aoq s VAL 37 CO 0.36 -0.10 0.62 0.00 -0.31 0.00 0.00 175.10 175.67 1aoq s ALA 38 N -1.50 3.53 -0.00 1.32 0.00 -1.26 -4.75 121.76 119.10 1aoq s ALA 38 Ca 0.15 0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.88 1aoq s ALA 38 Cb -0.08 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 1aoq s ALA 38 CO 0.07 0.38 1.03 0.00 0.00 0.00 0.00 175.76 177.25 1aoq s ALA 39 N -1.27 3.24 0.73 0.00 0.00 -1.26 -4.97 121.76 118.23 1aoq s ALA 39 Ca 0.34 0.58 -0.11 0.00 0.00 0.00 0.00 51.96 52.77 1aoq s ALA 39 Cb -0.19 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.59 1aoq s ALA 39 CO 0.20 -0.33 1.10 -1.25 0.00 0.00 0.00 175.76 175.48 1aoq s PRO 40 N 1.19 2.66 0.65 0.00 0.04 -1.26 -4.99 135.00 133.29 1aoq s PRO 40 Ca 0.53 0.47 -0.11 0.00 0.04 0.00 0.00 61.00 61.93 1aoq s PRO 40 Cb -0.22 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1aoq s PRO 40 CO 0.27 -1.18 1.04 0.20 0.04 0.00 0.00 177.00 177.37 1aoq s GLY 41 N -4.29 1.66 -0.11 0.56 0.00 -1.26 -4.72 107.32 99.16 1aoq s GLY 41 Ca 0.59 -0.04 -0.01 0.00 0.00 0.00 0.00 44.72 45.26 1aoq s GLY 41 CO 0.52 0.25 -0.08 0.00 0.00 0.00 0.00 173.10 173.79 1aoq s ALA 42 N -3.14 2.88 0.88 3.20 0.00 -1.26 -4.73 121.76 119.59 1aoq s ALA 42 Ca 0.56 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 51.53 1aoq s ALA 42 Cb -0.12 -1.33 0.12 0.00 0.00 0.00 0.00 23.12 21.80 1aoq s ALA 42 CO 0.54 0.37 1.13 -1.25 0.00 0.00 0.00 175.76 176.55 1aoq s PRO 43 N -0.11 1.36 0.18 0.00 0.04 -1.26 -4.88 135.00 130.33 1aoq s PRO 43 Ca 0.01 0.37 -0.33 0.00 0.04 0.00 0.00 61.00 61.09 1aoq s PRO 43 Cb -0.13 -1.86 -0.15 0.00 0.04 0.00 0.00 34.50 32.40 1aoq s PRO 43 CO 0.03 -2.06 1.38 -1.91 0.04 0.00 0.00 177.00 174.47 1aoq n GLU 44 N -3.69 1.71 -0.32 4.56 2.13 -1.26 -1.41 120.64 122.36 1aoq n GLU 44 Ca 0.07 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.50 1aoq n GLU 44 Cb 0.59 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 30.04 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 2.47 0.96 3.23 8.31 0.00 -1.26 -5.04 105.19 113.87 1aoq n GLY 45 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.80 1.76 -0.14 1.61 1.01 -0.50 -5.11 120.40 116.23 1aoq s VAL 46 Ca 0.00 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 60.89 1aoq s VAL 46 Cb 0.00 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 1aoq s VAL 46 CO 0.00 0.50 0.36 -0.89 0.00 0.00 0.00 175.10 175.07 1aoq s THR 47 N -0.39 5.25 0.57 3.92 2.01 -1.26 -4.53 115.64 121.21 1aoq s THR 47 Ca 0.05 0.71 -0.15 0.00 0.31 0.00 0.00 61.69 62.60 1aoq s THR 47 Cb -0.10 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 1aoq s THR 47 CO 0.00 0.38 1.03 0.00 -0.69 0.00 0.00 174.62 175.34 1aoq s ALA 48 N 0.43 2.89 0.00 7.40 0.00 -1.26 -4.94 121.76 126.28 1aoq s ALA 48 Ca 0.20 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.45 1aoq s ALA 48 Cb -0.14 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1aoq s ALA 48 CO 0.07 -0.60 -0.04 -0.51 0.00 0.00 0.00 175.76 174.68 1aoq s LEU 49 N -4.43 3.33 1.01 0.00 1.43 -1.26 -5.07 118.68 113.68 1aoq s LEU 49 Ca 0.61 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 53.50 1aoq s LEU 49 Cb -0.13 -1.91 0.19 0.00 0.03 0.00 0.00 46.19 44.37 1aoq s LEU 49 CO 0.37 0.28 1.08 -0.94 0.23 0.00 0.00 176.35 177.36 1aoq s SER 50 N -1.51 2.45 0.27 2.29 1.04 -1.26 -4.62 113.70 112.35 1aoq s SER 50 Ca 0.18 1.42 -0.01 0.00 0.48 0.00 0.00 55.95 58.02 1aoq s SER 50 Cb -0.11 -2.11 0.47 0.00 0.10 0.00 0.00 66.02 64.37 1aoq s SER 50 CO 0.09 -3.27 1.84 0.44 0.98 0.00 0.00 173.24 173.31 1aoq h ASP 51 N -1.99 0.87 -0.16 7.02 3.32 -1.95 0.22 116.42 123.75 1aoq h ASP 51 Ca -0.54 0.04 -0.16 0.00 0.02 0.00 0.00 57.03 56.39 1aoq h ASP 51 Cb 1.31 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1aoq h ASP 51 CO 0.54 0.49 -0.51 0.00 -1.72 0.00 0.00 179.24 178.04 1aoq h ALA 52 N 1.49 0.28 -0.60 3.45 0.00 -1.95 -0.78 119.26 121.15 1aoq h ALA 52 Ca 0.45 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1aoq h ALA 52 Cb 0.38 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1aoq h ALA 52 CO -0.24 0.46 0.24 1.96 0.00 0.00 0.00 179.25 181.67 1aoq h GLN 53 N 0.29 0.89 -0.37 0.00 4.20 -1.77 0.22 115.11 118.57 1aoq h GLN 53 Ca -0.02 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.47 1aoq h GLN 53 Cb 1.13 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1aoq h GLN 53 CO 0.11 0.76 -0.00 -0.92 -0.67 0.00 0.00 178.83 178.11 1aoq h TYR 54 N 0.83 0.72 -0.60 2.96 3.20 -0.57 -1.55 116.97 121.96 1aoq h TYR 54 Ca 0.20 -0.13 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 1aoq h TYR 54 Cb 0.20 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1aoq h TYR 54 CO 0.01 0.75 0.13 -0.91 -1.64 0.00 0.00 178.16 176.50 1aoq h ASN 55 N 0.48 0.93 -0.70 -2.11 2.35 -0.96 0.17 115.58 115.74 1aoq h ASN 55 Ca 0.10 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 1aoq h ASN 55 Cb 0.47 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 1aoq h ASN 55 CO 0.02 0.93 0.36 -0.08 -1.65 0.00 0.00 177.43 177.01 1aoq h GLU 56 N 0.89 0.99 -0.21 0.81 4.81 -0.83 -0.58 114.58 120.46 1aoq h GLU 56 Ca 0.19 -0.13 -0.15 0.00 -0.13 0.00 0.00 59.36 59.14 1aoq h GLU 56 Cb 0.38 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1aoq h GLU 56 CO 0.01 0.77 -0.48 0.00 -0.73 0.00 0.00 179.01 178.57 1aoq h ALA 57 N 1.17 0.78 -0.53 2.92 0.00 -1.01 -2.72 119.26 119.87 1aoq h ALA 57 Ca 0.24 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1aoq h ALA 57 Cb 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1aoq h ALA 57 CO -0.03 0.67 0.00 -0.97 0.00 0.00 0.00 179.25 178.92 1aoq h ASN 58 N 0.43 0.92 -0.65 0.00 -0.73 -0.20 0.37 115.58 115.72 1aoq h ASN 58 Ca 0.02 -0.30 -0.03 0.00 1.87 0.00 0.00 56.30 57.86 1aoq h ASN 58 Cb 1.00 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 39.31 1aoq h ASN 58 CO 0.09 1.00 0.29 0.50 -0.37 0.00 0.00 177.43 178.94 1aoq h LYS 59 N 0.82 0.96 -0.50 6.67 3.64 -1.09 0.09 116.57 127.15 1aoq h LYS 59 Ca 0.15 -0.16 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1aoq h LYS 59 Cb 0.53 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1aoq h LYS 59 CO 0.03 0.78 -0.03 0.82 -2.27 0.00 0.00 179.45 178.78 1aoq h ILE 60 N 0.91 1.27 0.03 2.00 2.04 -1.23 -1.81 117.51 120.71 1aoq h ILE 60 Ca 0.22 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 1aoq h ILE 60 Cb 0.17 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1aoq h ILE 60 CO -0.02 0.40 -0.02 0.22 0.00 0.00 0.00 178.15 178.73 1aoq h TYR 61 N 0.77 -0.04 -0.63 1.37 3.20 -0.47 0.58 116.97 121.75 1aoq h TYR 61 Ca 0.14 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 1aoq h TYR 61 Cb 0.57 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 1aoq h TYR 61 CO 0.04 0.08 0.22 0.74 -1.64 0.00 0.00 178.16 177.60 1aoq h PHE 62 N -0.15 0.96 0.04 -3.82 -1.00 -0.96 0.38 116.94 112.40 1aoq h PHE 62 Ca -0.00 -0.07 -0.24 0.00 2.81 0.00 0.00 57.97 60.47 1aoq h PHE 62 Cb 0.14 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 39.41 1aoq h PHE 62 CO -0.04 0.76 -1.02 0.93 -1.61 0.00 0.00 178.31 177.33 1aoq h GLU 63 N 0.92 0.33 0.00 1.51 5.08 -1.18 -2.17 114.58 119.08 1aoq h GLU 63 Ca 0.21 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1aoq h GLU 63 Cb 0.23 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1aoq h GLU 63 CO -0.01 1.12 -1.10 0.54 -1.00 0.00 0.00 179.01 178.56 1aoq n ARG 64 N -3.67 0.25 -0.03 2.33 1.74 0.18 -4.44 116.66 113.02 1aoq n ARG 64 Ca -0.07 -0.02 -0.04 0.00 -0.77 0.00 0.00 57.85 56.95 1aoq n ARG 64 Cb 0.89 -1.05 -0.04 0.00 -1.02 0.00 0.00 32.46 31.24 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 0.12 2.55 -0.61 0.00 0.00 -0.59 -1.44 119.26 119.29 1aoq h ALA 66 Ca -0.16 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1aoq h ALA 66 Cb 1.30 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1aoq h ALA 66 CO -0.01 -0.79 0.34 0.78 0.00 0.00 0.00 179.25 179.57 1aoq h GLY 67 N 0.13 0.88 0.77 0.00 0.00 -1.79 0.80 103.07 103.87 1aoq h GLY 67 Ca 0.39 -0.24 -0.31 0.00 0.00 0.00 0.00 47.33 47.17 1aoq h GLY 67 CO -0.05 0.16 -1.85 0.00 0.00 0.00 0.00 176.54 174.79 1aoq n HIS 69 N -3.01 0.00 0.00 0.00 8.25 -0.62 -0.62 115.22 119.21 1aoq n HIS 69 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 1aoq n HIS 69 Cb 1.07 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.88 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 1.47 0.28 0.26 -1.41 0.00 0.28 -0.41 105.19 105.66 1aoq n GLY 70 Ca -0.02 -1.49 0.03 0.00 0.00 0.00 0.00 46.02 44.54 1aoq n GLY 70 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1aoq h VAL 71 N 0.00 1.15 -0.01 1.61 -1.51 -1.94 0.71 116.25 116.26 1aoq h VAL 71 Ca 0.00 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 1aoq h VAL 71 Cb 0.00 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 1aoq h VAL 71 CO 0.00 0.19 -0.08 0.18 -1.23 0.00 0.00 177.57 176.63 1aoq n LEU 72 N -4.35 1.04 -1.91 4.19 4.77 -1.26 -4.94 117.00 114.54 1aoq n LEU 72 Ca 0.00 -0.30 -0.18 0.00 -0.03 0.00 0.00 56.01 55.50 1aoq n LEU 72 Cb 0.20 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1aoq n LEU 72 CO 0.37 0.18 -0.22 0.54 -1.33 0.00 0.00 177.39 176.93 1aoq n ARG 73 N -0.35 -1.42 -0.04 3.23 1.74 0.24 -4.83 116.66 115.23 1aoq n ARG 73 Ca 0.17 0.97 0.12 0.00 -0.77 0.00 0.00 57.85 58.34 1aoq n ARG 73 Cb 0.31 -5.43 0.48 0.00 -1.02 0.00 0.00 32.46 26.81 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 -2.69 1.59 0.00 5.56 4.76 -1.15 -0.19 118.16 126.04 1aoq n LYS 74 Ca -0.21 -0.88 0.00 0.00 -2.87 0.00 0.00 58.31 54.35 1aoq n LYS 74 Cb 0.65 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.42 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 1.11 -1.19 0.00 0.72 0.00 0.45 -4.28 105.19 102.01 1aoq n GLY 75 Ca 0.18 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.03 0.00 0.18 4.61 0.00 -0.82 -4.78 120.51 119.67 1aoq n ALA 76 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1aoq n ALA 76 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.74 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 0.86 -2.74 0.00 1.35 -1.75 -3.43 112.91 107.20 1aoq h THR 77 Ca 0.00 -1.64 -0.58 0.00 -0.55 0.00 0.00 66.41 63.65 1aoq h THR 77 Cb 0.00 2.01 -0.06 0.00 -1.73 0.00 0.00 68.15 68.37 1aoq h THR 77 CO 0.00 0.39 -0.54 -0.83 -0.25 0.00 0.00 175.52 174.28 1aoq s GLY 78 N -4.37 1.77 1.00 5.82 0.00 0.21 -5.05 107.32 106.69 1aoq s GLY 78 Ca 0.01 -1.13 -0.11 0.00 0.00 0.00 0.00 44.72 43.49 1aoq s GLY 78 CO 0.69 -1.13 1.09 -1.59 0.00 0.00 0.00 173.10 172.17 1aoq s LYS 79 N -3.02 0.39 0.47 2.90 -2.85 -1.26 -4.37 119.74 111.99 1aoq s LYS 79 Ca 0.32 1.15 -0.24 0.00 -1.00 0.00 0.00 55.97 56.21 1aoq s LYS 79 Cb -0.11 -1.68 -0.07 0.00 -2.06 0.00 0.00 37.83 33.91 1aoq s LYS 79 CO 0.25 -2.94 1.28 0.00 0.10 0.00 0.00 175.35 174.04 1aoq s ALA 80 N -2.64 3.02 -0.23 0.59 0.00 -1.26 -4.30 121.76 116.95 1aoq s ALA 80 Ca 0.67 1.17 0.13 0.00 0.00 0.00 0.00 51.96 53.93 1aoq s ALA 80 Cb -0.23 -3.48 0.45 0.00 0.00 0.00 0.00 23.12 19.86 1aoq s ALA 80 CO 0.60 -0.96 1.19 1.28 0.00 0.00 0.00 175.76 177.87 1aoq n LEU 81 N -0.46 3.28 -4.76 0.00 4.77 0.73 -4.89 117.00 115.67 1aoq n LEU 81 Ca 0.07 -3.92 -0.35 0.00 -0.03 0.00 0.00 56.01 51.78 1aoq n LEU 81 Cb 0.45 -0.25 0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1aoq n LEU 81 CO 0.52 1.55 0.80 0.42 -1.33 0.00 0.00 177.39 179.35 1aoq s THR 82 N -3.52 2.95 0.31 -5.08 -4.23 -1.17 -4.68 115.64 100.22 1aoq s THR 82 Ca 0.41 0.57 0.06 0.00 -1.18 0.00 0.00 61.69 61.56 1aoq s THR 82 Cb 0.38 -3.20 0.35 0.00 1.34 0.00 0.00 72.50 71.37 1aoq s THR 82 CO -0.03 -0.15 1.61 -0.65 -0.54 0.00 0.00 174.62 174.86 1aoq h PRO 83 N 0.92 0.11 -0.95 3.99 0.11 -1.84 0.46 132.00 134.80 1aoq h PRO 83 Ca -0.50 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.65 1aoq h PRO 83 Cb 1.27 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.30 1aoq h PRO 83 CO 0.56 0.07 0.61 0.38 -0.21 0.00 0.00 178.00 179.41 1aoq h ASP 84 N 0.11 1.00 0.01 -2.05 2.03 -1.93 0.25 116.42 115.83 1aoq h ASP 84 Ca 0.64 -0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.89 1aoq h ASP 84 Cb 1.41 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 1aoq h ASP 84 CO -0.76 0.67 -0.21 -0.07 -1.03 0.00 0.00 179.24 177.84 1aoq h LEU 85 N 1.16 0.17 -0.92 0.15 3.38 -1.30 -3.22 115.31 114.72 1aoq h LEU 85 Ca 0.39 -0.81 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 1aoq h LEU 85 Cb 0.07 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1aoq h LEU 85 CO -0.14 0.96 0.25 0.71 0.09 0.00 0.00 178.44 180.31 1aoq h THR 86 N -0.59 1.24 -0.07 0.22 1.35 -1.19 -2.47 112.91 111.40 1aoq h THR 86 Ca -0.03 -0.80 -0.06 0.00 -0.55 0.00 0.00 66.41 64.98 1aoq h THR 86 Cb 1.00 0.44 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 1aoq h THR 86 CO 0.04 0.32 -0.24 0.03 -0.25 0.00 0.00 175.52 175.42 1aoq h ARG 87 N 1.01 0.12 -0.06 4.72 3.08 -1.07 -0.01 114.38 122.17 1aoq h ARG 87 Ca 0.23 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.12 1aoq h ARG 87 Cb 0.23 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1aoq h ARG 87 CO -0.02 0.36 -0.56 -0.44 -1.07 0.00 0.00 179.97 178.25 1aoq h ASP 88 N 0.11 0.19 -0.13 7.04 3.32 -1.46 -3.02 116.42 122.47 1aoq h ASP 88 Ca 0.02 -0.10 -0.22 0.00 0.02 0.00 0.00 57.03 56.75 1aoq h ASP 88 Cb 0.49 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.00 1aoq h ASP 88 CO 0.03 0.71 -0.77 -0.07 -1.72 0.00 0.00 179.24 177.42 1aoq h LEU 89 N 0.13 0.90 0.00 1.55 3.38 -0.97 -3.50 115.31 116.79 1aoq h LEU 89 Ca -0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1aoq h LEU 89 Cb 1.02 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1aoq h LEU 89 CO 0.08 1.40 0.00 0.61 0.09 0.00 0.00 178.44 180.62 1aoq n GLY 90 N 0.75 0.08 0.25 0.83 0.00 -0.10 -4.26 105.19 102.73 1aoq n GLY 90 Ca -0.08 -1.60 -0.02 0.00 0.00 0.00 0.00 46.02 44.32 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 0.65 -0.61 1.61 3.57 -1.88 -1.98 116.94 118.30 1aoq h PHE 91 Ca 0.00 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1aoq h PHE 91 Cb 0.00 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 1aoq h PHE 91 CO 0.00 0.31 0.36 -0.44 -2.23 0.00 0.00 178.31 176.32 1aoq h ASP 92 N 0.66 0.58 -0.06 0.41 5.19 -1.99 0.16 116.42 121.38 1aoq h ASP 92 Ca 0.28 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.70 1aoq h ASP 92 Cb 0.17 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.56 1aoq h ASP 92 CO -0.17 0.40 0.02 0.22 -3.12 0.00 0.00 179.24 176.58 1aoq h TYR 93 N 0.71 0.10 -0.32 4.55 3.20 -1.66 -2.12 116.97 121.42 1aoq h TYR 93 Ca 0.25 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.13 1aoq h TYR 93 Cb 0.05 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 1aoq h TYR 93 CO -0.06 0.27 0.16 -0.07 -1.64 0.00 0.00 178.16 176.83 1aoq h LEU 94 N -0.11 0.24 -0.27 2.82 3.38 -1.07 -0.61 115.31 119.69 1aoq h LEU 94 Ca 0.02 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1aoq h LEU 94 Cb 0.23 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1aoq h LEU 94 CO -0.00 0.18 0.04 -0.61 0.09 0.00 0.00 178.44 178.14 1aoq h GLN 95 N 0.34 0.14 -0.51 1.13 4.15 -0.63 0.42 115.11 120.15 1aoq h GLN 95 Ca 0.13 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.49 1aoq h GLN 95 Cb 0.05 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1aoq h GLN 95 CO -0.09 0.09 0.11 0.77 -1.93 0.00 0.00 178.83 177.78 1aoq h SER 96 N 0.14 0.79 -0.09 -0.69 0.02 -1.13 -2.19 113.55 110.40 1aoq h SER 96 Ca 0.12 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1aoq h SER 96 Cb 0.13 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1aoq h SER 96 CO -0.17 0.83 0.02 0.15 -1.14 0.00 0.00 176.83 176.52 1aoq h PHE 97 N 0.71 0.14 0.00 3.45 3.04 -0.79 -2.98 116.94 120.51 1aoq h PHE 97 Ca 0.16 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.09 1aoq h PHE 97 Cb 0.36 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.83 1aoq h PHE 97 CO 0.02 0.31 -0.02 0.82 -2.02 0.00 0.00 178.31 177.42 1aoq h ILE 98 N -0.06 0.06 -0.22 1.41 2.04 -0.91 -2.98 117.51 116.86 1aoq h ILE 98 Ca 0.03 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1aoq h ILE 98 Cb 0.24 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1aoq h ILE 98 CO -0.00 0.02 0.12 0.74 0.00 0.00 0.00 178.15 179.03 1aoq h THR 99 N 0.00 1.07 0.00 -0.27 2.02 -1.23 -1.68 112.91 112.82 1aoq h THR 99 Ca -0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1aoq h THR 99 Cb 0.41 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1aoq h THR 99 CO 0.00 0.08 0.00 -1.22 0.37 0.00 0.00 175.52 174.75 1aoq n TYR 100 N -4.48 0.57 -0.97 3.16 4.01 -1.13 -4.90 117.16 113.43 1aoq n TYR 100 Ca 0.00 0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.97 1aoq n TYR 100 Cb 0.09 -0.87 0.00 0.00 -0.31 0.00 0.00 39.34 38.26 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 -1.69 0.00 -2.21 -0.72 0.00 -0.63 -4.98 120.51 110.28 1aoq n ALA 101 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.39 1aoq n ALA 101 Cb 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.56 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 0.40 0.29 0.00 1.04 -0.63 -4.84 113.70 105.96 1aoq s SER 102 Ca 0.00 -0.91 -0.29 0.00 0.48 0.00 0.00 55.95 55.22 1aoq s SER 102 Cb 0.00 0.23 -0.13 0.00 0.10 0.00 0.00 66.02 66.22 1aoq s SER 102 CO 0.00 -0.63 1.28 -2.65 0.98 0.00 0.00 173.24 172.22 1aoq n PRO 103 N 0.08 1.94 -2.12 4.02 -0.02 -0.65 -4.26 135.00 133.99 1aoq n PRO 103 Ca -0.14 0.68 -0.34 0.00 -2.02 0.00 0.00 63.50 61.68 1aoq n PRO 103 Cb 0.61 -2.25 0.01 0.00 -0.02 0.00 0.00 33.50 31.85 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 -0.69 2.67 0.61 3.55 0.00 -1.26 -4.58 121.76 122.05 1aoq s ALA 104 Ca 0.61 0.62 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1aoq s ALA 104 Cb -0.63 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1aoq s ALA 104 CO 0.57 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1aoq n GLY 105 N -0.33 0.30 3.76 0.00 0.00 -0.30 -4.32 105.19 104.30 1aoq n GLY 105 Ca 0.10 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 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 1.18 3.48 0.86 1.61 -1.94 -1.18 -4.73 119.30 118.58 1aoq s MET 106 Ca 0.00 2.04 -0.10 0.00 -1.71 0.00 0.00 55.69 55.92 1aoq s MET 106 Cb 0.00 -2.37 0.12 0.00 2.01 0.00 0.00 34.83 34.58 1aoq s MET 106 CO 0.00 -0.86 1.13 -1.25 -0.01 0.00 0.00 175.02 174.03 1aoq s PRO 107 N -2.75 1.43 0.00 2.03 0.04 -1.26 0.43 135.00 134.92 1aoq s PRO 107 Ca 0.67 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1aoq s PRO 107 Cb -0.35 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1aoq s PRO 107 CO 0.43 -2.31 0.00 0.09 0.04 0.00 0.00 177.00 175.25 1aoq n ASN 108 N -3.97 0.00 0.00 6.66 3.02 -1.26 -4.12 115.26 115.60 1aoq n ASN 108 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1aoq n ASN 108 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 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 -1.17 3.10 4.27 -1.24 -4.80 117.44 117.60 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 0.00 0.18 0.00 -1.36 0.00 0.00 31.31 30.13 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 -1.18 1.56 0.67 -1.67 0.00 0.17 -4.98 107.32 101.89 1aoq s GLY 110 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 44.72 44.19 1aoq s GLY 110 CO 0.00 0.23 1.06 -1.08 0.00 0.00 0.00 173.10 173.31 1aoq s THR 111 N -2.98 3.93 -0.20 0.90 -1.32 -1.26 -4.74 115.64 109.97 1aoq s THR 111 Ca 0.66 0.71 0.20 0.00 -1.21 0.00 0.00 61.69 62.05 1aoq s THR 111 Cb -0.18 -3.37 -0.03 0.00 -1.51 0.00 0.00 72.50 67.41 1aoq s THR 111 CO 0.58 -0.73 1.02 0.77 -2.21 0.00 0.00 174.62 174.04 1aoq h SER 112 N -0.36 0.00 0.00 8.08 4.64 -1.94 -0.79 113.55 123.19 1aoq h SER 112 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1aoq h SER 112 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1aoq h SER 112 CO 0.57 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 1aoq n GLY 113 N 1.26 0.73 3.77 -0.77 0.00 -1.26 -4.31 105.19 104.61 1aoq n GLY 113 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.22 4.29 0.01 1.61 2.02 -1.26 -1.61 118.70 123.54 1aoq s GLU 114 Ca 0.00 0.71 0.05 0.00 0.02 0.00 0.00 54.97 55.75 1aoq s GLU 114 Cb 0.00 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.88 1aoq s GLU 114 CO 0.00 0.40 -0.16 -0.51 0.02 0.00 0.00 175.26 175.00 1aoq s LEU 115 N -0.28 2.09 0.89 1.80 1.43 -1.26 -5.04 118.68 118.31 1aoq s LEU 115 Ca 0.30 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.90 1aoq s LEU 115 Cb -0.18 -0.80 0.16 0.00 0.03 0.00 0.00 46.19 45.40 1aoq s LEU 115 CO 0.17 0.15 1.25 -0.94 0.23 0.00 0.00 176.35 177.21 1aoq s SER 116 N -0.69 3.63 0.26 2.29 1.04 -1.26 -4.84 113.70 114.14 1aoq s SER 116 Ca 0.05 0.36 -0.01 0.00 0.48 0.00 0.00 55.95 56.84 1aoq s SER 116 Cb -0.07 -0.57 0.35 0.00 0.10 0.00 0.00 66.02 65.83 1aoq s SER 116 CO 0.00 -2.41 1.73 0.00 0.98 0.00 0.00 173.24 173.54 1aoq h ALA 117 N -1.37 1.08 -0.51 5.32 0.00 -2.00 -0.83 119.26 120.95 1aoq h ALA 117 Ca -0.44 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.11 1aoq h ALA 117 Cb 1.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1aoq h ALA 117 CO 0.46 0.57 0.11 1.49 0.00 0.00 0.00 179.25 181.88 1aoq h GLU 118 N 0.61 0.83 -0.13 0.00 4.57 -2.00 -2.56 114.58 115.90 1aoq h GLU 118 Ca 0.10 -0.21 -0.15 0.00 -1.18 0.00 0.00 59.36 57.93 1aoq h GLU 118 Cb 0.57 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1aoq h GLU 118 CO 0.04 0.80 -0.56 1.96 -1.18 0.00 0.00 179.01 180.07 1aoq h GLN 119 N 0.71 0.38 -0.18 1.92 4.20 -1.86 -2.05 115.11 118.24 1aoq h GLN 119 Ca 0.16 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 1aoq h GLN 119 Cb 0.35 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1aoq h GLN 119 CO 0.00 0.83 -0.10 0.28 -0.67 0.00 0.00 178.83 179.18 1aoq h VAL 120 N 0.29 1.17 -0.03 -0.54 2.07 -0.99 0.43 116.25 118.65 1aoq h VAL 120 Ca 0.00 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1aoq h VAL 120 Cb 1.06 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1aoq h VAL 120 CO 0.09 0.24 -0.09 0.44 0.02 0.00 0.00 177.57 178.27 1aoq h ASP 121 N 0.26 0.13 -0.48 0.57 3.32 -1.16 -2.00 116.42 117.07 1aoq h ASP 121 Ca 0.06 -0.59 0.04 0.00 0.02 0.00 0.00 57.03 56.55 1aoq h ASP 121 Cb 0.35 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 1aoq h ASP 121 CO 0.02 0.71 0.24 -0.07 -1.72 0.00 0.00 179.24 178.41 1aoq h LEU 122 N -0.43 0.35 -0.47 1.55 3.38 -1.04 -1.02 115.31 117.64 1aoq h LEU 122 Ca -0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1aoq h LEU 122 Cb 0.69 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1aoq h LEU 122 CO 0.02 0.25 0.17 0.24 0.09 0.00 0.00 178.44 179.21 1aoq h MET 123 N 0.48 0.71 -0.57 1.13 2.86 -0.96 0.13 114.93 118.71 1aoq h MET 123 Ca 0.21 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1aoq h MET 123 Cb 0.11 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1aoq h MET 123 CO -0.14 0.66 0.20 0.00 1.06 0.00 0.00 176.91 178.68 1aoq h ALA 124 N 1.02 0.74 -0.36 6.32 0.00 -1.07 -1.97 119.26 123.94 1aoq h ALA 124 Ca 0.16 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1aoq h ALA 124 Cb 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1aoq h ALA 124 CO -0.01 0.38 -0.14 -0.91 0.00 0.00 0.00 179.25 178.57 1aoq h ASN 125 N 0.79 0.75 -0.52 0.00 2.35 -1.02 -3.18 115.58 114.74 1aoq h ASN 125 Ca 0.19 -0.39 0.07 0.00 -0.55 0.00 0.00 56.30 55.62 1aoq h ASN 125 Cb 0.25 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.35 1aoq h ASN 125 CO -0.01 0.97 0.20 0.22 -1.65 0.00 0.00 177.43 177.16 1aoq h TYR 126 N 0.53 0.35 0.00 1.19 3.20 -0.53 -1.15 116.97 120.56 1aoq h TYR 126 Ca 0.09 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1aoq h TYR 126 Cb 0.67 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1aoq h TYR 126 CO 0.06 0.12 0.00 -0.07 -1.64 0.00 0.00 178.16 176.62 1aoq h LEU 127 N 0.39 0.00 0.00 2.82 3.38 -1.34 -1.82 115.31 118.73 1aoq h LEU 127 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1aoq h LEU 127 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1aoq h LEU 127 CO -0.24 0.00 -0.65 0.18 0.09 0.00 0.00 178.44 177.81 1aoq n LEU 128 N -2.34 0.63 -4.94 1.67 4.77 -0.44 -4.39 117.00 111.97 1aoq n LEU 128 Ca 0.00 0.15 -0.24 0.00 -0.03 0.00 0.00 56.01 55.88 1aoq n LEU 128 Cb 0.13 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1aoq n LEU 128 CO 0.15 -0.00 0.18 -0.76 -1.33 0.00 0.00 177.39 175.63 1aoq s LEU 129 N -3.90 4.01 -0.29 2.23 1.43 -0.68 -4.88 118.68 116.59 1aoq s LEU 129 Ca 0.07 0.48 -0.28 0.00 -1.03 0.00 0.00 54.13 53.38 1aoq s LEU 129 Cb 0.14 -3.34 0.01 0.00 0.03 0.00 0.00 46.19 43.03 1aoq s LEU 129 CO 0.73 -0.29 0.99 -1.81 0.23 0.00 0.00 176.35 176.20 1aoq s ASP 130 N -3.95 6.91 0.33 2.29 1.01 -1.26 -4.69 116.67 117.30 1aoq s ASP 130 Ca 0.40 1.04 -0.24 0.00 0.71 0.00 0.00 52.55 54.46 1aoq s ASP 130 Cb -0.10 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.23 1aoq s ASP 130 CO 0.36 -0.76 0.91 -2.16 0.21 0.00 0.00 175.17 173.73 1aoq s PRO 131 N 3.36 4.47 0.41 8.23 0.04 -1.26 -4.76 135.00 145.49 1aoq s PRO 131 Ca 0.42 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.66 1aoq s PRO 131 Cb -0.13 -2.71 -0.03 0.00 0.04 0.00 0.00 34.50 31.67 1aoq s PRO 131 CO 0.12 0.25 0.65 0.00 0.04 0.00 0.00 177.00 178.05 1aoq s ALA 132 N -1.70 3.59 0.03 8.56 0.00 -1.26 -5.07 121.76 125.92 1aoq s ALA 132 Ca 0.51 -0.78 -0.21 0.00 0.00 0.00 0.00 51.96 51.49 1aoq s ALA 132 Cb -0.17 -2.29 -0.06 0.00 0.00 0.00 0.00 23.12 20.61 1aoq s ALA 132 CO 0.22 -0.17 0.61 0.00 0.00 0.00 0.00 175.76 176.41 1aoq s ALA 133 N -2.49 3.50 0.96 0.00 0.00 -1.26 -4.93 121.76 117.53 1aoq s ALA 133 Ca 0.43 0.07 -0.10 0.00 0.00 0.00 0.00 51.96 52.36 1aoq s ALA 133 Cb -0.10 -2.75 0.17 0.00 0.00 0.00 0.00 23.12 20.44 1aoq s ALA 133 CO 0.39 0.23 1.13 -2.14 0.00 0.00 0.00 175.76 175.37 1aoq s PRO 134 N -0.51 0.69 0.69 0.00 0.02 -1.26 -4.93 135.00 129.70 1aoq s PRO 134 Ca 0.31 1.43 -0.17 0.00 0.02 0.00 0.00 61.00 62.59 1aoq s PRO 134 Cb -0.19 -1.70 0.01 0.00 0.02 0.00 0.00 34.50 32.64 1aoq s PRO 134 CO 0.19 -2.81 1.17 -2.30 -0.33 0.00 0.00 177.00 172.91 1aoq n PRO 135 N -4.35 0.78 -2.01 5.54 -0.02 -1.26 -5.02 135.00 128.67 1aoq n PRO 135 Ca 0.10 0.33 -0.28 0.00 -2.02 0.00 0.00 63.50 61.63 1aoq n PRO 135 Cb 0.52 -2.41 0.13 0.00 -0.02 0.00 0.00 33.50 31.73 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 -3.43 1.38 -0.37 -0.52 0.41 -1.26 -4.78 118.70 110.13 1aoq s GLU 136 Ca 0.78 -0.27 0.03 0.00 -0.41 0.00 0.00 54.97 55.10 1aoq s GLU 136 Cb -0.36 -1.97 0.16 0.00 -1.78 0.00 0.00 34.13 30.18 1aoq s GLU 136 CO 0.45 -1.90 0.38 0.12 -0.49 0.00 0.00 175.26 173.82 1aoq s PHE 137 N -3.63 -0.31 0.00 1.61 2.19 -1.26 -5.01 117.98 111.56 1aoq s PHE 137 Ca 0.67 -0.80 0.00 0.00 0.33 0.00 0.00 56.93 57.14 1aoq s PHE 137 Cb -0.07 -0.41 0.00 0.00 -1.31 0.00 0.00 43.02 41.23 1aoq s PHE 137 CO 0.50 -0.97 0.00 0.41 1.83 0.00 0.00 175.22 176.99 1aoq n GLY 138 N 4.28 2.62 0.21 13.12 0.00 -1.26 -4.82 105.19 119.34 1aoq n GLY 138 Ca 0.11 -2.05 -0.02 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 0.31 -0.40 1.61 4.05 -2.00 -0.10 114.93 118.40 1aoq h MET 139 Ca 0.00 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.45 1aoq h MET 139 Cb 0.00 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.69 1aoq h MET 139 CO 0.00 0.20 0.14 -0.22 0.23 0.00 0.00 176.91 177.27 1aoq h LYS 140 N 0.32 0.30 -0.51 0.39 3.64 -1.99 0.13 116.57 118.86 1aoq h LYS 140 Ca 0.27 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.57 1aoq h LYS 140 Cb 0.33 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1aoq h LYS 140 CO -0.30 0.20 0.07 0.93 -2.27 0.00 0.00 179.45 178.08 1aoq h GLU 141 N 0.31 0.84 -0.13 1.90 3.07 -1.80 -1.98 114.58 116.79 1aoq h GLU 141 Ca 0.18 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1aoq h GLU 141 Cb 0.16 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 1aoq h GLU 141 CO -0.18 0.84 0.04 0.52 -1.40 0.00 0.00 179.01 178.83 1aoq h MET 142 N 0.72 0.21 -0.09 2.33 2.86 -0.64 -2.50 114.93 117.81 1aoq h MET 142 Ca 0.15 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1aoq h MET 142 Cb 0.41 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1aoq h MET 142 CO 0.01 0.33 -0.05 0.00 1.06 0.00 0.00 176.91 178.27 1aoq h ARG 143 N 0.04 0.13 -0.13 1.72 3.08 -0.66 0.10 114.38 118.65 1aoq h ARG 143 Ca 0.04 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 1aoq h ARG 143 Cb 0.21 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1aoq h ARG 143 CO -0.00 0.19 -0.44 1.49 -1.07 0.00 0.00 179.97 180.13 1aoq h GLU 144 N 0.13 0.31 0.00 0.04 4.57 -1.12 -2.76 114.58 115.75 1aoq h GLU 144 Ca 0.03 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1aoq h GLU 144 Cb 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1aoq h GLU 144 CO 0.01 0.70 -0.43 -1.13 -1.18 0.00 0.00 179.01 176.97 1aoq n SER 145 N -4.00 0.49 -4.66 1.04 3.41 -0.48 -4.87 113.62 104.55 1aoq n SER 145 Ca -0.02 0.02 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1aoq n SER 145 Cb 0.51 0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.49 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 -3.05 2.53 -0.06 7.33 -0.00 0.23 -4.23 118.94 121.69 1aoq s TRP 146 Ca 0.10 0.70 -0.01 0.00 -0.00 0.00 0.00 56.10 56.90 1aoq s TRP 146 Cb 0.16 -3.66 0.03 0.00 -0.00 0.00 0.00 33.47 30.00 1aoq s TRP 146 CO 0.67 -2.51 0.00 0.15 -0.00 0.00 0.00 176.95 175.27 1aoq s LYS 147 N 3.66 0.50 -0.47 5.86 1.02 -0.37 -4.98 119.74 124.95 1aoq s LYS 147 Ca 0.62 0.11 -0.14 0.00 0.02 0.00 0.00 55.97 56.57 1aoq s LYS 147 Cb -0.26 -0.81 0.08 0.00 -0.52 0.00 0.00 37.83 36.32 1aoq s LYS 147 CO 0.20 -0.25 0.38 0.08 -0.92 0.00 0.00 175.35 174.85 1aoq s VAL 148 N 1.68 5.02 0.12 3.17 1.01 -1.26 -1.01 120.40 129.13 1aoq s VAL 148 Ca 0.00 -1.20 -0.07 0.00 0.00 0.00 0.00 61.98 60.71 1aoq s VAL 148 Cb -0.13 -4.04 -0.17 0.00 0.00 0.00 0.00 36.38 32.04 1aoq s VAL 148 CO -0.04 -0.61 1.31 0.45 0.00 0.00 0.00 175.10 176.22 1aoq h HIS 149 N 8.70 0.76 -3.25 5.22 -0.00 -0.45 -3.42 115.15 122.70 1aoq h HIS 149 Ca -0.27 -0.38 -0.53 0.00 -0.00 0.00 0.00 60.37 59.19 1aoq h HIS 149 Cb 1.10 -0.10 -0.40 0.00 -0.00 0.00 0.00 27.41 28.02 1aoq h HIS 149 CO 0.64 1.20 -0.76 0.08 -0.00 0.00 0.00 177.93 179.09 1aoq s VAL 150 N -3.42 0.55 0.60 2.45 1.01 -0.54 -5.02 120.40 116.02 1aoq s VAL 150 Ca -0.07 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 1aoq s VAL 150 Cb 0.09 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1aoq s VAL 150 CO 0.88 -0.27 1.28 0.00 0.00 0.00 0.00 175.10 176.98 1aoq s ALA 151 N 1.84 2.54 0.29 5.51 0.00 -1.26 -4.81 121.76 125.86 1aoq s ALA 151 Ca 0.00 1.18 0.04 0.00 0.00 0.00 0.00 51.96 53.18 1aoq s ALA 151 Cb -0.17 -3.52 0.71 0.00 0.00 0.00 0.00 23.12 20.14 1aoq s ALA 151 CO -0.11 -1.39 1.74 -1.35 0.00 0.00 0.00 175.76 174.65 1aoq h PRO 152 N 0.89 0.55 0.00 0.00 0.11 -1.96 0.28 132.00 131.87 1aoq h PRO 152 Ca -0.51 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 1aoq h PRO 152 Cb 1.32 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1aoq h PRO 152 CO 0.55 0.37 -0.04 0.93 -0.21 0.00 0.00 178.00 179.60 1aoq h GLU 153 N 0.57 0.00 -0.17 1.05 3.07 -1.99 -2.00 114.58 115.11 1aoq h GLU 153 Ca 0.55 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.41 1aoq h GLU 153 Cb 0.95 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.86 1aoq h GLU 153 CO -0.44 0.04 0.00 -0.25 -1.40 0.00 0.00 179.01 176.95 1aoq n ASP 154 N -3.36 2.91 -4.92 1.42 8.00 0.08 -4.95 116.55 115.72 1aoq n ASP 154 Ca -0.02 -1.93 -0.26 0.00 0.71 0.00 0.00 54.79 53.30 1aoq n ASP 154 Cb 0.17 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.80 3.52 0.86 -1.24 0.52 -0.75 -4.94 118.95 115.11 1aoq s ARG 155 Ca 0.33 -0.08 -0.10 0.00 -0.52 0.00 0.00 55.73 55.36 1aoq s ARG 155 Cb 0.21 -2.54 0.11 0.00 0.52 0.00 0.00 34.95 33.25 1aoq s ARG 155 CO 0.31 0.00 1.11 -1.25 0.02 0.00 0.00 175.30 175.49 1aoq s PRO 156 N -4.45 1.53 0.00 3.54 0.04 -1.26 -4.95 135.00 129.46 1aoq s PRO 156 Ca 0.43 1.29 0.22 0.00 0.04 0.00 0.00 61.00 62.99 1aoq s PRO 156 Cb -0.10 -1.81 0.13 0.00 0.04 0.00 0.00 34.50 32.77 1aoq s PRO 156 CO 0.39 -2.19 1.16 0.25 0.04 0.00 0.00 177.00 176.65 1aoq n THR 157 N -3.91 0.00 -3.64 1.26 -2.24 -1.26 -4.96 114.28 99.53 1aoq n THR 157 Ca 0.10 -0.45 -0.10 0.00 -2.27 0.00 0.00 64.05 61.33 1aoq n THR 157 Cb 0.53 1.41 -0.03 0.00 -2.10 0.00 0.00 70.33 70.13 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 -1.96 1.33 0.13 -0.78 -2.07 -1.26 -5.13 119.66 109.93 1aoq s GLN 158 Ca 0.24 -0.74 -0.31 0.00 -1.82 0.00 0.00 55.36 52.73 1aoq s GLN 158 Cb 0.18 0.54 -0.10 0.00 -1.09 0.00 0.00 33.01 32.53 1aoq s GLN 158 CO 0.34 -0.57 1.77 -1.14 -1.32 0.00 0.00 175.29 174.37 1aoq s GLN 159 N -3.83 4.15 0.00 9.60 0.74 -1.26 -4.86 119.66 124.19 1aoq s GLN 159 Ca 0.06 2.55 0.14 0.00 0.05 0.00 0.00 55.36 58.16 1aoq s GLN 159 Cb -0.01 -3.48 -0.01 0.00 1.10 0.00 0.00 33.01 30.61 1aoq s GLN 159 CO -0.07 -0.80 0.78 -1.33 -0.55 0.00 0.00 175.29 173.32 1aoq n MET 160 N 5.27 1.83 -3.47 1.67 2.81 0.53 -4.97 117.12 120.79 1aoq n MET 160 Ca 0.17 -0.72 -0.21 0.00 -1.81 0.00 0.00 57.70 55.13 1aoq n MET 160 Cb 0.38 -1.21 -0.01 0.00 -0.71 0.00 0.00 33.22 31.67 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 -1.74 5.06 -0.18 7.83 2.20 -1.25 -4.44 114.94 122.41 1aoq s ASN 161 Ca 0.11 -0.81 0.16 0.00 -0.94 0.00 0.00 52.86 51.38 1aoq s ASN 161 Cb 0.11 -0.27 0.64 0.00 -2.00 0.00 0.00 41.25 39.74 1aoq s ASN 161 CO 0.36 -0.86 1.55 -0.90 -2.94 0.00 0.00 177.10 174.32 1aoq n ASP 162 N -1.73 4.59 -4.80 3.54 5.68 -1.26 -5.02 116.55 117.54 1aoq n ASP 162 Ca 0.05 -2.88 -0.32 0.00 -0.50 0.00 0.00 54.79 51.14 1aoq n ASP 162 Cb 0.62 -0.58 0.04 0.00 -1.14 0.00 0.00 41.12 40.06 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 -2.62 2.98 -0.99 2.11 0.52 -1.26 -4.96 118.94 114.72 1aoq s TRP 163 Ca 0.47 1.47 -0.15 0.00 0.02 0.00 0.00 56.10 57.91 1aoq s TRP 163 Cb 0.36 -2.96 0.19 0.00 -1.15 0.00 0.00 33.47 29.91 1aoq s TRP 163 CO 0.13 -1.29 1.08 0.34 0.02 0.00 0.00 176.95 177.23 1aoq s ASP 164 N -3.35 6.88 0.20 2.95 -1.08 -1.26 -4.90 116.67 116.10 1aoq s ASP 164 Ca 0.61 -2.69 -0.10 0.00 -0.52 0.00 0.00 52.55 49.84 1aoq s ASP 164 Cb -0.15 -2.31 0.23 0.00 -1.46 0.00 0.00 42.92 39.23 1aoq s ASP 164 CO 0.49 -0.72 1.77 -0.07 0.52 0.00 0.00 175.17 177.16 1aoq h LEU 165 N 8.87 0.36 -2.22 -1.34 3.38 -1.96 -2.39 115.31 120.00 1aoq h LEU 165 Ca 0.18 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1aoq h LEU 165 Cb 0.97 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1aoq h LEU 165 CO 1.02 0.23 -0.03 -0.33 0.09 0.00 0.00 178.44 179.41 1aoq h GLU 166 N 0.51 0.00 -0.43 1.13 5.08 -1.92 -1.59 114.58 117.35 1aoq h GLU 166 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 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 -0.23 0.03 0.00 -1.71 -1.00 0.00 0.00 179.01 176.10 1aoq n ASN 167 N -3.23 3.55 -4.78 1.42 5.15 -0.92 -1.61 115.26 114.85 1aoq n ASN 167 Ca -0.02 -2.00 -0.34 0.00 -0.60 0.00 0.00 54.58 51.63 1aoq n ASN 167 Cb 0.19 -0.28 0.01 0.00 -0.53 0.00 0.00 39.78 39.17 1aoq n ASN 167 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1aoq s LEU 168 N -1.43 3.61 -0.10 1.20 1.43 -0.60 -1.77 118.68 121.02 1aoq s LEU 168 Ca 0.40 2.05 0.04 0.00 -1.03 0.00 0.00 54.13 55.58 1aoq s LEU 168 Cb 0.23 -4.56 -0.00 0.00 0.03 0.00 0.00 46.19 41.89 1aoq s LEU 168 CO 0.32 -1.29 -0.23 -0.36 0.23 0.00 0.00 176.35 175.02 1aoq s PHE 169 N -2.06 2.59 -0.41 0.29 0.40 0.16 -0.76 117.98 118.19 1aoq s PHE 169 Ca 0.69 -0.98 -0.13 0.00 -0.60 0.00 0.00 56.93 55.90 1aoq s PHE 169 Cb -0.21 -1.72 0.03 0.00 0.51 0.00 0.00 43.02 41.63 1aoq s PHE 169 CO 0.32 -0.38 0.28 0.45 0.70 0.00 0.00 175.22 176.58 1aoq s SER 170 N 0.32 5.97 -0.20 1.36 0.15 -0.06 -0.66 113.70 120.58 1aoq s SER 170 Ca -0.17 -1.01 -0.06 0.00 0.70 0.00 0.00 55.95 55.40 1aoq s SER 170 Cb -0.18 -2.11 -0.03 0.00 -1.71 0.00 0.00 66.02 61.99 1aoq s SER 170 CO 0.08 -0.46 0.03 -0.69 1.20 0.00 0.00 173.24 173.41 1aoq s VAL 171 N 1.62 4.31 -0.02 4.45 1.01 0.28 -1.57 120.40 130.48 1aoq s VAL 171 Ca 0.04 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 1aoq s VAL 171 Cb -0.20 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1aoq s VAL 171 CO 0.08 0.42 1.27 -0.89 0.00 0.00 0.00 175.10 175.99 1aoq s THR 172 N 0.89 4.03 -0.95 3.92 2.01 0.25 -0.45 115.64 125.33 1aoq s THR 172 Ca 0.02 1.39 -0.03 0.00 0.31 0.00 0.00 61.69 63.38 1aoq s THR 172 Cb -0.14 -3.89 0.23 0.00 0.01 0.00 0.00 72.50 68.71 1aoq s THR 172 CO 0.02 0.01 0.86 -0.76 -0.69 0.00 0.00 174.62 174.06 1aoq s LEU 173 N 2.15 5.71 0.00 4.42 1.43 -0.21 -2.04 118.68 130.15 1aoq s LEU 173 Ca 0.59 -3.72 0.00 0.00 -1.03 0.00 0.00 54.13 49.97 1aoq s LEU 173 Cb -0.28 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 43.97 1aoq s LEU 173 CO 0.24 -0.20 0.69 -1.14 0.23 0.00 0.00 176.35 176.18 1aoq n ARG 174 N 2.37 0.00 0.06 1.70 0.63 -0.80 -2.25 116.66 118.37 1aoq n ARG 174 Ca 0.22 0.69 0.08 0.00 -0.92 0.00 0.00 57.85 57.93 1aoq n ARG 174 Cb 0.37 -1.13 0.37 0.00 0.45 0.00 0.00 32.46 32.52 1aoq n ARG 174 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1aoq n ASP 175 N -2.06 0.30 -0.02 6.15 9.92 -1.26 -2.36 116.55 127.22 1aoq n ASP 175 Ca 0.00 0.59 0.12 0.00 -0.53 0.00 0.00 54.79 54.96 1aoq n ASP 175 Cb 0.00 -0.65 0.20 0.00 -0.64 0.00 0.00 41.12 40.03 1aoq n ASP 175 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1aoq n ALA 176 N -1.63 3.72 -3.39 2.24 0.00 -0.96 -4.87 120.51 115.62 1aoq n ALA 176 Ca 0.02 -0.40 -0.19 0.00 0.00 0.00 0.00 53.44 52.87 1aoq n ALA 176 Cb 0.16 -1.06 0.07 0.00 0.00 0.00 0.00 19.45 18.62 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 1.49 -0.30 3.27 0.00 0.00 -1.02 -4.82 105.19 103.81 1aoq n GLY 177 Ca 0.06 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -5.94 1.22 0.05 1.61 -0.21 -1.18 -0.45 119.66 114.74 1aoq s GLN 178 Ca 0.41 -1.49 0.03 0.00 0.02 0.00 0.00 55.36 54.33 1aoq s GLN 178 Cb -0.18 0.31 -0.02 0.00 1.00 0.00 0.00 33.01 34.12 1aoq s GLN 178 CO 0.62 -0.42 -0.09 0.96 -2.12 0.00 0.00 175.29 174.24 1aoq s ILE 179 N -4.10 0.65 -0.11 1.08 -4.36 -0.46 -1.04 121.20 112.86 1aoq s ILE 179 Ca 0.32 -1.08 0.01 0.00 -0.26 0.00 0.00 60.65 59.63 1aoq s ILE 179 Cb 0.05 -0.69 -0.02 0.00 1.25 0.00 0.00 42.46 43.06 1aoq s ILE 179 CO 0.09 -0.32 -0.14 0.00 0.24 0.00 0.00 174.94 174.80 1aoq s ALA 180 N -1.29 2.59 -0.36 2.27 0.00 0.40 -0.83 121.76 124.55 1aoq s ALA 180 Ca -0.08 -0.91 -0.14 0.00 0.00 0.00 0.00 51.96 50.83 1aoq s ALA 180 Cb -0.10 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 1aoq s ALA 180 CO 0.01 0.31 0.30 -0.51 0.00 0.00 0.00 175.76 175.87 1aoq s LEU 181 N 0.15 4.59 -0.09 0.00 1.43 0.11 -0.55 118.68 124.32 1aoq s LEU 181 Ca -0.08 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 1aoq s LEU 181 Cb -0.15 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 1aoq s LEU 181 CO 0.05 -0.32 -0.18 -0.63 0.23 0.00 0.00 176.35 175.50 1aoq s ILE 182 N 1.85 2.64 0.05 -0.59 1.01 0.17 -0.43 121.20 125.89 1aoq s ILE 182 Ca 0.08 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.59 1aoq s ILE 182 Cb -0.17 -2.04 -0.08 0.00 0.01 0.00 0.00 42.46 40.18 1aoq s ILE 182 CO 0.11 0.56 1.72 -0.62 0.00 0.00 0.00 174.94 176.71 1aoq s ASP 183 N -0.04 6.57 0.26 3.58 -1.08 -0.03 -0.66 116.67 125.27 1aoq s ASP 183 Ca -0.05 2.50 0.24 0.00 -0.52 0.00 0.00 52.55 54.72 1aoq s ASP 183 Cb -0.14 -2.55 0.99 0.00 -1.46 0.00 0.00 42.92 39.75 1aoq s ASP 183 CO 0.04 -0.93 1.71 0.61 0.52 0.00 0.00 175.17 177.12 1aoq n GLY 184 N 4.13 -1.27 0.07 2.66 0.00 -0.73 -0.94 105.19 109.11 1aoq n GLY 184 Ca 0.17 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 1aoq n GLY 184 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1aoq n SER 185 N -2.25 2.69 0.04 1.61 3.41 -1.26 -4.68 113.62 113.18 1aoq n SER 185 Ca 0.02 -0.07 0.11 0.00 -0.26 0.00 0.00 58.87 58.67 1aoq n SER 185 Cb 0.22 -0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 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 -2.88 0.28 -1.15 6.66 -2.24 -1.24 -4.97 114.28 108.73 1aoq n THR 186 Ca -0.26 -0.45 -0.05 0.00 -2.27 0.00 0.00 64.05 61.02 1aoq n THR 186 Cb 0.81 -0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.95 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 -2.34 0.00 -2.70 4.78 4.01 -0.12 -4.99 117.16 115.81 1aoq n TYR 187 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 1aoq n TYR 187 Cb 0.53 -1.51 -0.05 0.00 -0.31 0.00 0.00 39.34 38.00 1aoq n TYR 187 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1aoq s GLU 188 N -1.93 4.70 -0.48 -0.72 2.02 -1.26 -4.74 118.70 116.29 1aoq s GLU 188 Ca 0.00 1.50 -0.29 0.00 0.02 0.00 0.00 54.97 56.20 1aoq s GLU 188 Cb 0.00 -3.35 0.03 0.00 0.10 0.00 0.00 34.13 30.91 1aoq s GLU 188 CO 0.00 0.22 1.18 0.42 0.02 0.00 0.00 175.26 177.10 1aoq s ILE 189 N -0.17 4.15 0.22 -1.63 1.01 -1.26 -0.85 121.20 122.67 1aoq s ILE 189 Ca 0.47 1.16 0.06 0.00 0.00 0.00 0.00 60.65 62.34 1aoq s ILE 189 Cb -0.25 -4.57 -0.07 0.00 0.01 0.00 0.00 42.46 37.58 1aoq s ILE 189 CO 0.31 -1.01 1.51 0.11 0.00 0.00 0.00 174.94 175.86 1aoq h LYS 190 N 9.45 0.13 -1.49 2.79 1.79 -1.11 -3.48 116.57 124.65 1aoq h LYS 190 Ca -0.24 -0.11 0.15 0.00 -2.18 0.00 0.00 60.65 58.28 1aoq h LYS 190 Cb 1.07 0.02 -0.23 0.00 -1.58 0.00 0.00 32.23 31.51 1aoq h LYS 190 CO 1.13 0.78 0.69 -0.08 -1.08 0.00 0.00 179.45 180.88 1aoq s THR 191 N -3.50 0.00 -0.15 -0.16 -1.32 -1.17 -5.00 115.64 104.34 1aoq s THR 191 Ca -0.02 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.47 1aoq s THR 191 Cb 0.12 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.12 1aoq s THR 191 CO 0.79 0.00 -0.17 -0.69 -2.21 0.00 0.00 174.62 172.34 1aoq s VAL 192 N -1.50 1.78 -0.03 5.08 1.01 -1.26 -0.71 120.40 124.77 1aoq s VAL 192 Ca 0.03 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1aoq s VAL 192 Cb -0.01 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1aoq s VAL 192 CO -0.03 0.49 -0.11 -0.76 0.00 0.00 0.00 175.10 174.69 1aoq s LEU 193 N 1.26 2.92 0.24 3.92 1.43 -0.01 -4.95 118.68 123.49 1aoq s LEU 193 Ca 0.02 -0.17 -0.18 0.00 -1.03 0.00 0.00 54.13 52.77 1aoq s LEU 193 Cb -0.14 -1.64 -0.08 0.00 0.03 0.00 0.00 46.19 44.36 1aoq s LEU 193 CO -0.09 0.32 0.71 -1.81 0.23 0.00 0.00 176.35 175.71 1aoq s ASP 194 N -1.00 6.96 0.00 2.29 1.11 -1.26 -1.35 116.67 123.42 1aoq s ASP 194 Ca 0.13 1.34 0.00 0.00 0.18 0.00 0.00 52.55 54.21 1aoq s ASP 194 Cb -0.11 -2.39 0.00 0.00 1.07 0.00 0.00 42.92 41.49 1aoq s ASP 194 CO 0.03 -0.03 0.00 0.35 1.18 0.00 0.00 175.17 176.70 1aoq n THR 195 N 0.43 0.00 0.00 -1.27 -2.24 0.40 -4.94 114.28 106.66 1aoq n THR 195 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1aoq n THR 195 Cb 0.52 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 0.58 1.65 2.98 3.38 0.00 -0.83 -5.01 105.19 107.94 1aoq n GLY 196 Ca 0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 1aoq n GLY 196 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1aoq s TYR 197 N 0.00 -0.22 -0.09 1.61 5.04 -1.26 -3.92 117.35 118.50 1aoq s TYR 197 Ca 0.00 0.59 -0.08 0.00 -2.44 0.00 0.00 57.07 55.14 1aoq s TYR 197 Cb 0.00 -0.03 0.01 0.00 0.35 0.00 0.00 41.96 42.29 1aoq s TYR 197 CO 0.00 -0.18 0.13 0.00 -1.34 0.00 0.00 175.55 174.16 1aoq n ALA 198 N 4.13 -1.90 -2.15 3.97 0.00 -1.00 -3.67 120.51 119.89 1aoq n ALA 198 Ca -0.25 0.07 -0.41 0.00 0.00 0.00 0.00 53.44 52.84 1aoq n ALA 198 Cb 0.53 -0.76 -0.03 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.93 3.67 -0.14 0.00 1.01 -1.26 -0.80 120.40 121.95 1aoq s VAL 199 Ca 0.08 1.33 -0.17 0.00 0.00 0.00 0.00 61.98 63.21 1aoq s VAL 199 Cb -0.01 -3.85 -0.25 0.00 0.00 0.00 0.00 36.38 32.28 1aoq s VAL 199 CO 0.17 0.18 0.45 -0.74 0.00 0.00 0.00 175.10 175.16 1aoq h HIS 200 N 5.76 0.30 -3.63 5.22 2.76 -0.79 -3.46 115.15 121.31 1aoq h HIS 200 Ca -0.44 -0.22 -0.07 0.00 -2.20 0.00 0.00 60.37 57.45 1aoq h HIS 200 Cb 1.21 -0.01 -0.13 0.00 1.55 0.00 0.00 27.41 30.03 1aoq h HIS 200 CO 0.64 1.53 -0.23 0.96 -1.30 0.00 0.00 177.93 179.53 1aoq s ILE 201 N -2.44 0.10 -0.00 6.26 -4.36 -1.25 -4.77 121.20 114.74 1aoq s ILE 201 Ca -0.23 -0.95 0.06 0.00 -0.26 0.00 0.00 60.65 59.27 1aoq s ILE 201 Cb 0.05 -1.35 -0.03 0.00 1.25 0.00 0.00 42.46 42.38 1aoq s ILE 201 CO 0.71 -0.45 -0.16 -0.44 0.24 0.00 0.00 174.94 174.84 1aoq s SER 202 N -2.85 3.88 0.02 4.36 0.01 -1.26 -2.90 113.70 114.95 1aoq s SER 202 Ca 0.06 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1aoq s SER 202 Cb 0.03 -0.71 -0.02 0.00 0.21 0.00 0.00 66.02 65.54 1aoq s SER 202 CO -0.10 0.30 -0.03 -0.13 0.41 0.00 0.00 173.24 173.69 1aoq s ARG 203 N -1.11 0.27 0.11 12.44 1.81 -0.16 -4.94 118.95 127.38 1aoq s ARG 203 Ca 0.13 -0.53 0.08 0.00 -1.72 0.00 0.00 55.73 53.69 1aoq s ARG 203 Cb -0.11 0.08 -0.04 0.00 -0.45 0.00 0.00 34.95 34.44 1aoq s ARG 203 CO 0.03 -0.04 -0.11 -0.51 -0.68 0.00 0.00 175.30 173.99 1aoq s LEU 204 N -1.26 2.98 0.84 2.53 2.01 -1.26 -0.43 118.68 124.09 1aoq s LEU 204 Ca -0.14 -0.43 -0.11 0.00 0.01 0.00 0.00 54.13 53.46 1aoq s LEU 204 Cb -0.09 -1.77 0.09 0.00 0.01 0.00 0.00 46.19 44.44 1aoq s LEU 204 CO -0.01 0.17 1.10 -0.94 1.01 0.00 0.00 176.35 177.68 1aoq s SER 205 N -2.27 3.92 0.55 2.29 1.04 0.07 -4.63 113.70 114.68 1aoq s SER 205 Ca 0.21 1.76 0.22 0.00 0.48 0.00 0.00 55.95 58.63 1aoq s SER 205 Cb -0.11 -2.42 1.53 0.00 0.10 0.00 0.00 66.02 65.12 1aoq s SER 205 CO 0.13 -2.40 2.19 0.00 0.98 0.00 0.00 173.24 174.15 1aoq h ALA 206 N -1.38 1.80 0.00 5.32 0.00 -1.85 -0.61 119.26 122.53 1aoq h ALA 206 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1aoq h ALA 206 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1aoq h ALA 206 CO 0.51 -0.02 -0.19 0.66 0.00 0.00 0.00 179.25 180.21 1aoq h SER 207 N 0.00 0.00 0.00 0.00 4.64 -1.92 -3.47 113.55 112.80 1aoq h SER 207 Ca 0.01 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1aoq h SER 207 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1aoq h SER 207 CO -0.00 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1aoq n GLY 208 N 1.27 0.86 0.17 -0.77 0.00 -0.24 -4.92 105.19 101.55 1aoq n GLY 208 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 3.30 0.59 -5.29 1.61 2.43 -1.92 -3.46 114.38 111.64 1aoq h ARG 209 Ca 0.00 -0.81 -0.63 0.00 -0.81 0.00 0.00 59.98 57.73 1aoq h ARG 209 Cb 0.00 0.27 -0.19 0.00 -0.42 0.00 0.00 29.97 29.64 1aoq h ARG 209 CO 0.00 1.37 -0.61 0.71 -1.51 0.00 0.00 179.97 179.93 1aoq s TYR 210 N -2.92 3.14 -0.22 2.20 2.02 -1.26 -1.37 117.35 118.94 1aoq s TYR 210 Ca -0.10 -0.10 -0.08 0.00 -0.37 0.00 0.00 57.07 56.41 1aoq s TYR 210 Cb 0.05 -2.02 -0.04 0.00 -0.40 0.00 0.00 41.96 39.55 1aoq s TYR 210 CO 0.92 0.07 0.10 -1.17 -1.57 0.00 0.00 175.55 173.90 1aoq s LEU 211 N 0.36 3.79 -0.10 -1.29 2.96 -0.26 -0.75 118.68 123.38 1aoq s LEU 211 Ca -0.00 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1aoq s LEU 211 Cb -0.13 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 1aoq s LEU 211 CO 0.01 0.07 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.63 1aoq s PHE 212 N 1.02 2.80 0.01 5.38 0.40 0.42 -0.48 117.98 127.54 1aoq s PHE 212 Ca 0.05 -0.43 0.05 0.00 -0.60 0.00 0.00 56.93 56.00 1aoq s PHE 212 Cb -0.14 -1.78 -0.02 0.00 0.51 0.00 0.00 43.02 41.60 1aoq s PHE 212 CO 0.03 -0.04 -0.14 0.14 0.70 0.00 0.00 175.22 175.91 1aoq s VAL 213 N -0.06 1.14 -0.13 -0.44 -7.23 -0.67 -0.98 120.40 112.03 1aoq s VAL 213 Ca -0.02 -0.80 0.02 0.00 -1.81 0.00 0.00 61.98 59.38 1aoq s VAL 213 Cb -0.14 -0.99 0.01 0.00 0.56 0.00 0.00 36.38 35.82 1aoq s VAL 213 CO 0.04 0.18 -0.20 -0.51 -0.31 0.00 0.00 175.10 174.30 1aoq s ILE 214 N -0.57 1.89 0.40 -0.62 1.10 -1.14 -1.67 121.20 120.59 1aoq s ILE 214 Ca 0.04 -0.88 -0.05 0.00 -0.51 0.00 0.00 60.65 59.25 1aoq s ILE 214 Cb -0.07 -1.68 -0.04 0.00 0.15 0.00 0.00 42.46 40.82 1aoq s ILE 214 CO 0.00 0.52 0.68 -0.83 -2.11 0.00 0.00 174.94 173.20 1aoq s GLY 215 N 0.82 1.61 0.61 1.50 0.00 0.44 -0.06 107.32 112.24 1aoq s GLY 215 Ca -0.08 -0.56 0.34 0.00 0.00 0.00 0.00 44.72 44.42 1aoq s GLY 215 CO -0.01 -0.43 2.27 3.21 0.00 0.00 0.00 173.10 178.14 1aoq h ARG 216 N 0.83 0.00 -0.22 2.90 3.08 -1.04 -0.48 114.38 119.45 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 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1aoq h ARG 216 CO 0.63 0.01 0.00 -0.40 -1.07 0.00 0.00 179.97 179.14 1aoq n ASP 217 N -3.56 1.43 0.00 7.04 5.75 -1.26 -1.31 116.55 124.63 1aoq n ASP 217 Ca -0.03 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 1aoq n ASP 217 Cb 0.10 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 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 1.00 0.75 3.73 6.12 0.00 -0.19 -4.25 105.19 112.35 1aoq n GLY 218 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.55 4.49 -0.10 1.61 2.20 -1.25 -0.98 119.74 125.16 1aoq s LYS 219 Ca 0.00 1.06 0.01 0.00 -0.36 0.00 0.00 55.97 56.69 1aoq s LYS 219 Cb 0.00 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 1aoq s LYS 219 CO 0.00 0.16 -0.15 0.08 -0.36 0.00 0.00 175.35 175.08 1aoq s VAL 220 N 0.40 2.93 -0.05 4.02 1.01 0.11 -0.42 120.40 128.40 1aoq s VAL 220 Ca 0.40 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.72 1aoq s VAL 220 Cb -0.20 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 1aoq s VAL 220 CO 0.22 0.55 -0.24 0.20 0.00 0.00 0.00 175.10 175.83 1aoq s ASN 221 N 0.03 2.93 -0.16 3.32 0.01 -0.67 -1.56 114.94 118.83 1aoq s ASN 221 Ca -0.05 -0.48 -0.01 0.00 -0.71 0.00 0.00 52.86 51.60 1aoq s ASN 221 Cb -0.15 -0.74 -0.01 0.00 0.41 0.00 0.00 41.25 40.77 1aoq s ASN 221 CO 0.04 0.24 -0.11 -0.32 -1.51 0.00 0.00 177.10 175.44 1aoq s MET 222 N -0.20 3.33 -0.09 -0.60 -2.45 0.15 -1.67 119.30 117.76 1aoq s MET 222 Ca -0.02 -0.69 0.04 0.00 -1.25 0.00 0.00 55.69 53.77 1aoq s MET 222 Cb -0.13 -2.74 -0.01 0.00 1.25 0.00 0.00 34.83 33.21 1aoq s MET 222 CO 0.03 0.04 -0.21 0.42 1.05 0.00 0.00 175.02 176.34 1aoq s ILE 223 N 0.81 2.36 -0.49 10.11 1.01 0.36 -0.20 121.20 135.17 1aoq s ILE 223 Ca -0.04 -0.93 -0.19 0.00 0.00 0.00 0.00 60.65 59.49 1aoq s ILE 223 Cb -0.15 -1.91 0.05 0.00 0.01 0.00 0.00 42.46 40.45 1aoq s ILE 223 CO 0.01 0.56 0.62 -0.62 0.00 0.00 0.00 174.94 175.51 1aoq s ASP 224 N 0.12 6.25 0.00 3.58 -1.08 -1.14 -1.11 116.67 123.29 1aoq s ASP 224 Ca -0.10 -0.74 0.18 0.00 -0.52 0.00 0.00 52.55 51.36 1aoq s ASP 224 Cb -0.16 -2.30 0.81 0.00 -1.46 0.00 0.00 42.92 39.81 1aoq s ASP 224 CO 0.06 -0.85 1.55 0.18 0.52 0.00 0.00 175.17 176.63 1aoq n LEU 225 N 6.19 0.00 0.09 -1.34 4.77 -0.47 -2.76 117.00 123.49 1aoq n LEU 225 Ca -0.05 0.41 0.12 0.00 -0.03 0.00 0.00 56.01 56.47 1aoq n LEU 225 Cb 0.46 -0.41 0.26 0.00 -2.33 0.00 0.00 43.42 41.39 1aoq n LEU 225 CO 0.54 -0.17 0.59 -0.50 -1.33 0.00 0.00 177.39 176.52 1aoq h TRP 226 N 0.00 0.00 -4.11 -1.77 4.06 -1.92 -3.46 115.95 108.76 1aoq h TRP 226 Ca 0.00 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.44 1aoq h TRP 226 Cb 0.25 0.00 0.09 0.00 -1.00 0.00 0.00 29.16 28.50 1aoq h TRP 226 CO 0.00 0.00 0.43 -1.64 -3.56 0.00 0.00 178.44 173.67 1aoq s MET 227 N -3.15 3.09 0.26 0.49 -1.94 -1.11 -0.35 119.30 116.58 1aoq s MET 227 Ca 0.08 1.64 -0.02 0.00 -1.71 0.00 0.00 55.69 55.68 1aoq s MET 227 Cb 0.12 -1.96 0.48 0.00 2.01 0.00 0.00 34.83 35.47 1aoq s MET 227 CO 0.67 -1.07 1.80 -0.22 -0.01 0.00 0.00 175.02 176.19 1aoq h LYS 228 N 0.83 0.76 -3.46 2.03 3.64 -1.91 -3.20 116.57 115.26 1aoq h LYS 228 Ca -0.49 -0.05 -0.63 0.00 -1.27 0.00 0.00 60.65 58.21 1aoq h LYS 228 Cb 1.27 -0.17 -0.40 0.00 -0.41 0.00 0.00 32.23 32.52 1aoq h LYS 228 CO 0.55 0.51 -0.70 -1.21 -2.27 0.00 0.00 179.45 176.33 1aoq s GLU 229 N -5.99 1.49 0.25 1.90 2.02 -1.26 -4.66 118.70 112.45 1aoq s GLU 229 Ca -0.12 -2.09 -0.30 0.00 0.02 0.00 0.00 54.97 52.48 1aoq s GLU 229 Cb 0.21 -2.77 -0.14 0.00 0.10 0.00 0.00 34.13 31.53 1aoq s GLU 229 CO 0.79 -1.09 1.27 -2.30 0.02 0.00 0.00 175.26 173.95 1aoq n PRO 230 N 3.66 1.76 -3.89 0.39 -0.02 -1.21 -4.97 135.00 130.71 1aoq n PRO 230 Ca 0.05 0.62 -0.10 0.00 -2.02 0.00 0.00 63.50 62.06 1aoq n PRO 230 Cb 0.36 -2.18 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 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 -0.46 0.00 -0.16 3.45 -1.32 -1.26 -5.00 115.64 110.89 1aoq s THR 231 Ca 0.65 -1.16 -0.29 0.00 -1.21 0.00 0.00 61.69 59.67 1aoq s THR 231 Cb -0.68 -2.60 -0.03 0.00 -1.51 0.00 0.00 72.50 67.67 1aoq s THR 231 CO 0.54 0.00 1.59 -0.89 -2.21 0.00 0.00 174.62 173.65 1aoq s THR 232 N -2.93 3.73 -0.26 5.08 2.01 -1.26 -2.88 115.64 119.13 1aoq s THR 232 Ca 0.18 0.85 0.22 0.00 0.31 0.00 0.00 61.69 63.26 1aoq s THR 232 Cb -0.04 -3.66 -0.10 0.00 0.01 0.00 0.00 72.50 68.71 1aoq s THR 232 CO 0.12 -0.20 0.91 1.33 -0.69 0.00 0.00 174.62 176.10 1aoq n VAL 233 N 5.99 0.39 -3.53 3.82 0.24 0.72 -4.68 118.33 121.28 1aoq n VAL 233 Ca 0.18 -0.48 -0.17 0.00 -2.04 0.00 0.00 64.34 61.83 1aoq n VAL 233 Cb 0.44 -0.16 -0.06 0.00 -1.47 0.00 0.00 33.84 32.59 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 -3.37 -1.79 0.06 2.33 0.00 -1.17 0.28 121.76 118.11 1aoq s ALA 234 Ca -0.01 1.40 -0.08 0.00 0.00 0.00 0.00 51.96 53.27 1aoq s ALA 234 Cb 0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 1aoq s ALA 234 CO 0.82 -0.36 0.16 -1.83 0.00 0.00 0.00 175.76 174.55 1aoq s GLU 235 N -1.06 0.75 -0.08 0.00 -1.05 -0.18 -0.68 118.70 116.41 1aoq s GLU 235 Ca -0.09 -0.85 -0.30 0.00 -0.15 0.00 0.00 54.97 53.58 1aoq s GLU 235 Cb -0.00 0.30 0.10 0.00 -0.44 0.00 0.00 34.13 34.09 1aoq s GLU 235 CO 0.08 -0.22 0.87 -1.50 0.95 0.00 0.00 175.26 175.44 1aoq s ILE 236 N -3.33 0.00 -0.14 1.83 2.07 -0.60 -1.23 121.20 119.79 1aoq s ILE 236 Ca 0.01 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.21 1aoq s ILE 236 Cb 0.03 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.59 1aoq s ILE 236 CO -0.08 0.00 -0.01 -0.75 -1.91 0.00 0.00 174.94 172.19 1aoq s LYS 237 N -1.70 3.58 0.00 3.50 2.20 -1.26 0.08 119.74 126.13 1aoq s LYS 237 Ca -0.03 -0.47 0.05 0.00 -0.36 0.00 0.00 55.97 55.16 1aoq s LYS 237 Cb -0.00 -2.94 0.06 0.00 -1.51 0.00 0.00 37.83 33.44 1aoq s LYS 237 CO 0.01 0.34 0.78 0.44 -0.36 0.00 0.00 175.35 176.56 1aoq n ILE 238 N 3.25 0.28 -3.22 5.43 -6.64 -0.15 -4.48 119.36 113.82 1aoq n ILE 238 Ca -0.17 -0.64 0.00 0.00 -1.77 0.00 0.00 62.75 60.17 1aoq n ILE 238 Cb 0.53 0.93 0.00 0.00 -1.44 0.00 0.00 39.64 39.66 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 0.18 -1.05 0.06 3.28 0.00 -1.26 -4.84 105.19 101.56 1aoq n GLY 239 Ca 0.03 -0.84 -0.03 0.00 0.00 0.00 0.00 46.02 45.18 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 0.46 1.22 -3.68 1.61 7.64 0.34 -4.34 113.62 116.88 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 1.10 -0.16 0.00 -1.01 0.00 0.00 64.21 64.14 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 -2.57 0.01 0.04 1.43 0.41 -0.64 -4.31 118.70 113.07 1aoq s GLU 241 Ca -0.07 0.49 -0.08 0.00 -0.41 0.00 0.00 54.97 54.90 1aoq s GLU 241 Cb 0.06 -0.32 -0.00 0.00 -1.78 0.00 0.00 34.13 32.09 1aoq s GLU 241 CO 0.64 -0.30 0.16 0.00 -0.49 0.00 0.00 175.26 175.27 1aoq s ALA 242 N 2.14 -0.25 0.00 5.21 0.00 -0.43 0.04 121.76 128.47 1aoq s ALA 242 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1aoq s ALA 242 Cb -0.12 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1aoq s ALA 242 CO -0.05 -0.35 0.00 0.54 0.00 0.00 0.00 175.76 175.90 1aoq n ARG 243 N 0.70 1.24 -4.21 0.00 5.12 -1.20 -4.02 116.66 114.28 1aoq n ARG 243 Ca -0.19 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.54 1aoq n ARG 243 Cb 0.59 -0.11 -0.12 0.00 -1.16 0.00 0.00 32.46 31.66 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 -0.07 1.92 -0.02 0.55 1.04 -1.24 -4.61 113.70 111.28 1aoq s SER 244 Ca 0.00 -0.70 -0.26 0.00 0.48 0.00 0.00 55.95 55.47 1aoq s SER 244 Cb 0.00 -0.07 0.06 0.00 0.10 0.00 0.00 66.02 66.11 1aoq s SER 244 CO 0.00 -0.08 0.57 -0.51 0.98 0.00 0.00 173.24 174.20 1aoq s ILE 245 N -1.57 0.02 0.19 -1.02 2.07 -1.26 -1.10 121.20 118.52 1aoq s ILE 245 Ca 0.03 -0.14 -0.22 0.00 -1.41 0.00 0.00 60.65 58.91 1aoq s ILE 245 Cb -0.08 -0.92 0.05 0.00 0.13 0.00 0.00 42.46 41.64 1aoq s ILE 245 CO 0.03 -0.08 0.61 -0.70 -1.91 0.00 0.00 174.94 172.89 1aoq s GLU 246 N -1.54 1.40 0.24 3.50 2.56 -0.39 -4.84 118.70 119.64 1aoq s GLU 246 Ca -0.10 -0.63 0.11 0.00 0.00 0.00 0.00 54.97 54.34 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 0.06 -0.62 -0.15 0.95 -0.56 0.00 0.00 175.26 174.94 1aoq s THR 247 N -3.80 2.78 0.05 -1.70 -4.23 -1.26 -0.75 115.64 106.73 1aoq s THR 247 Ca 0.04 -2.11 -0.31 0.00 -1.18 0.00 0.00 61.69 58.14 1aoq s THR 247 Cb -0.02 -2.43 -0.07 0.00 1.34 0.00 0.00 72.50 71.31 1aoq s THR 247 CO -0.07 -0.30 1.54 -0.94 -0.54 0.00 0.00 174.62 174.31 1aoq s SER 248 N -3.28 6.71 0.00 3.99 1.04 -0.56 -4.65 113.70 116.95 1aoq s SER 248 Ca 0.28 2.35 0.01 0.00 0.48 0.00 0.00 55.95 59.06 1aoq s SER 248 Cb -0.06 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.51 1aoq s SER 248 CO 0.15 -0.81 0.99 0.29 0.98 0.00 0.00 173.24 174.84 1aoq n LYS 249 N 5.31 2.78 -2.64 4.02 5.02 -1.26 -4.25 118.16 127.15 1aoq n LYS 249 Ca 0.14 -1.48 -0.41 0.00 -2.02 0.00 0.00 58.31 54.55 1aoq n LYS 249 Cb 0.42 -1.01 -0.05 0.00 -0.02 0.00 0.00 35.03 34.37 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 -0.95 4.70 0.17 1.97 1.75 -1.18 -4.63 119.30 121.13 1aoq s MET 250 Ca 0.01 1.58 -0.34 0.00 -1.25 0.00 0.00 55.69 55.70 1aoq s MET 250 Cb 0.01 -3.30 -0.14 0.00 2.84 0.00 0.00 34.83 34.24 1aoq s MET 250 CO 0.01 0.25 1.57 -1.91 -0.65 0.00 0.00 175.02 174.28 1aoq n GLU 251 N 2.15 2.15 0.00 4.11 2.13 -1.26 -0.73 120.64 129.19 1aoq n GLU 251 Ca 0.01 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.61 1aoq n GLU 251 Cb 0.47 -2.54 0.00 0.00 0.27 0.00 0.00 31.44 29.64 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 3.31 1.80 0.53 8.31 0.00 -1.26 -4.89 105.19 113.00 1aoq n GLY 252 Ca 0.16 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 0.49 -1.73 1.61 7.02 0.09 -5.01 117.44 117.90 1aoq n TRP 253 Ca 0.00 -1.02 -0.42 0.00 -1.02 0.00 0.00 57.50 55.04 1aoq n TRP 253 Cb 0.00 -0.25 -0.02 0.00 -2.42 0.00 0.00 31.31 28.62 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 -1.00 2.68 -0.91 -0.99 4.71 -1.25 -2.03 120.64 121.85 1aoq n GLU 254 Ca 0.20 0.96 0.00 0.00 -0.01 0.00 0.00 57.16 58.31 1aoq n GLU 254 Cb 0.78 -2.75 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 2.66 -4.15 -0.03 1.62 8.00 -1.26 -4.88 116.55 118.52 1aoq n ASP 255 Ca 0.11 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.46 1aoq n ASP 255 Cb 0.36 -2.66 -0.09 0.00 -0.02 0.00 0.00 41.12 38.70 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 0.31 0.34 -4.30 -1.24 1.63 -1.72 -3.36 116.57 108.22 1aoq h LYS 256 Ca 0.00 -0.28 -0.16 0.00 -0.85 0.00 0.00 60.65 59.36 1aoq h LYS 256 Cb 0.61 0.06 -0.15 0.00 -0.60 0.00 0.00 32.23 32.15 1aoq h LYS 256 CO 0.00 0.93 -0.61 0.71 -3.45 0.00 0.00 179.45 177.03 1aoq s TYR 257 N -3.60 0.71 0.07 1.91 2.02 -1.26 -0.39 117.35 116.81 1aoq s TYR 257 Ca -0.14 -1.12 0.02 0.00 -0.37 0.00 0.00 57.07 55.46 1aoq s TYR 257 Cb 0.04 -0.40 -0.03 0.00 -0.40 0.00 0.00 41.96 41.17 1aoq s TYR 257 CO 0.78 -0.51 -0.08 0.00 -1.57 0.00 0.00 175.55 174.17 1aoq s ALA 258 N -4.00 0.81 -0.00 3.71 0.00 -0.43 -1.49 121.76 120.35 1aoq s ALA 258 Ca 0.19 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1aoq s ALA 258 Cb 0.07 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.26 1aoq s ALA 258 CO -0.02 -0.08 -0.01 -1.50 0.00 0.00 0.00 175.76 174.16 1aoq s ILE 259 N -2.21 0.06 0.04 0.00 2.07 0.07 -0.13 121.20 121.10 1aoq s ILE 259 Ca -0.01 -0.03 0.07 0.00 -1.41 0.00 0.00 60.65 59.28 1aoq s ILE 259 Cb -0.04 -0.06 -0.03 0.00 0.13 0.00 0.00 42.46 42.46 1aoq s ILE 259 CO -0.01 0.02 -0.20 0.00 -1.91 0.00 0.00 174.94 172.83 1aoq s ALA 260 N -0.00 1.73 0.03 1.50 0.00 -0.20 -1.26 121.76 123.57 1aoq s ALA 260 Ca 0.00 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 50.97 1aoq s ALA 260 Cb -0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1aoq s ALA 260 CO -0.00 0.39 -0.17 0.20 0.00 0.00 0.00 175.76 176.17 1aoq s GLY 261 N -1.20 1.57 0.13 0.00 0.00 -0.26 -0.55 107.32 107.01 1aoq s GLY 261 Ca 0.07 -1.16 0.07 0.00 0.00 0.00 0.00 44.72 43.70 1aoq s GLY 261 CO 0.02 -1.04 -0.17 0.00 0.00 0.00 0.00 173.10 171.91 1aoq s ALA 262 N -0.90 1.72 -0.11 3.20 0.00 0.14 -3.27 121.76 122.53 1aoq s ALA 262 Ca 0.14 -1.33 -0.18 0.00 0.00 0.00 0.00 51.96 50.60 1aoq s ALA 262 Cb -0.11 -0.15 -0.27 0.00 0.00 0.00 0.00 23.12 22.60 1aoq s ALA 262 CO 0.05 0.21 0.57 1.88 0.00 0.00 0.00 175.76 178.46 1aoq h TYR 263 N 3.60 0.38 -3.21 0.00 0.05 -0.64 -2.51 116.97 114.64 1aoq h TYR 263 Ca -0.42 -0.27 -0.29 0.00 0.05 0.00 0.00 58.73 57.79 1aoq h TYR 263 Cb 1.20 -0.02 -0.35 0.00 1.01 0.00 0.00 36.73 38.57 1aoq h TYR 263 CO 0.65 1.48 -0.65 -0.46 -1.05 0.00 0.00 178.16 178.14 1aoq s TRP 264 N -2.44 -0.12 0.85 4.88 -0.11 -0.93 -3.45 118.94 117.62 1aoq s TRP 264 Ca -0.20 0.48 -0.11 0.00 1.22 0.00 0.00 56.10 57.49 1aoq s TRP 264 Cb 0.04 -0.24 0.10 0.00 -1.50 0.00 0.00 33.47 31.87 1aoq s TRP 264 CO 0.75 -0.21 1.09 -2.14 -4.62 0.00 0.00 176.95 171.82 1aoq s PRO 265 N 1.84 1.62 -0.83 5.86 0.02 -1.26 -0.51 135.00 141.74 1aoq s PRO 265 Ca -0.01 0.95 -0.25 0.00 0.02 0.00 0.00 61.00 61.71 1aoq s PRO 265 Cb -0.12 -1.84 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 1aoq s PRO 265 CO -0.05 -2.03 1.79 -2.14 -0.33 0.00 0.00 177.00 174.24 1aoq s PRO 266 N -4.92 2.80 0.14 5.54 0.02 -1.22 -4.56 135.00 132.80 1aoq s PRO 266 Ca 0.63 -0.18 -0.25 0.00 0.02 0.00 0.00 61.00 61.21 1aoq s PRO 266 Cb -0.18 -4.86 0.07 0.00 0.02 0.00 0.00 34.50 29.55 1aoq s PRO 266 CO 0.57 -2.91 0.84 1.14 -0.33 0.00 0.00 177.00 176.30 1aoq s GLN 267 N 6.58 1.23 0.10 5.54 -2.07 -1.25 -1.15 119.66 128.64 1aoq s GLN 267 Ca 0.62 -0.61 0.05 0.00 -1.82 0.00 0.00 55.36 53.61 1aoq s GLN 267 Cb -0.07 0.47 -0.03 0.00 -1.09 0.00 0.00 33.01 32.28 1aoq s GLN 267 CO 0.05 -0.56 -0.14 1.52 -1.32 0.00 0.00 175.29 174.84 1aoq s TYR 268 N -3.44 1.29 -0.06 9.60 -0.85 -0.39 -0.68 117.35 122.82 1aoq s TYR 268 Ca 0.08 -0.52 0.00 0.00 -0.52 0.00 0.00 57.07 56.12 1aoq s TYR 268 Cb -0.02 -0.70 0.02 0.00 0.38 0.00 0.00 41.96 41.64 1aoq s TYR 268 CO -0.02 0.09 -0.05 0.08 -1.52 0.00 0.00 175.55 174.13 1aoq s VAL 269 N -1.74 0.63 -0.20 -3.49 1.01 0.28 -0.86 120.40 116.03 1aoq s VAL 269 Ca 0.03 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.72 1aoq s VAL 269 Cb -0.07 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1aoq s VAL 269 CO 0.02 0.26 0.41 -0.63 0.00 0.00 0.00 175.10 175.17 1aoq s ILE 270 N 1.20 5.19 0.20 2.22 1.01 0.57 -1.03 121.20 130.56 1aoq s ILE 270 Ca -0.06 0.74 0.11 0.00 0.00 0.00 0.00 60.65 61.44 1aoq s ILE 270 Cb -0.14 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1aoq s ILE 270 CO -0.02 0.25 -0.23 -0.04 0.00 0.00 0.00 174.94 174.90 1aoq s MET 271 N 1.30 1.52 0.20 2.79 -1.94 0.82 -0.69 119.30 123.30 1aoq s MET 271 Ca 0.20 -1.55 -0.32 0.00 -1.71 0.00 0.00 55.69 52.31 1aoq s MET 271 Cb -0.15 -1.80 -0.12 0.00 2.01 0.00 0.00 34.83 34.78 1aoq s MET 271 CO 0.08 0.38 1.69 0.34 -0.01 0.00 0.00 175.02 177.51 1aoq s ASP 272 N -2.76 6.42 0.27 3.03 -1.08 -0.04 -1.31 116.67 121.20 1aoq s ASP 272 Ca 0.21 2.82 0.23 0.00 -0.52 0.00 0.00 52.55 55.29 1aoq s ASP 272 Cb -0.07 -2.60 1.02 0.00 -1.46 0.00 0.00 42.92 39.81 1aoq s ASP 272 CO 0.10 -0.94 1.69 0.61 0.52 0.00 0.00 175.17 177.15 1aoq n GLY 273 N 3.93 -1.15 0.05 2.66 0.00 0.48 -0.80 105.19 110.35 1aoq n GLY 273 Ca 0.15 0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.23 1.16 0.00 1.61 1.02 -1.26 -4.75 120.64 116.18 1aoq n GLU 274 Ca 0.01 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1aoq n GLU 274 Cb 0.17 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 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 -2.37 0.00 -0.99 2.62 -2.24 -1.19 -4.80 114.28 105.31 1aoq n THR 275 Ca -0.16 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1aoq n THR 275 Cb 0.77 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 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 -1.07 0.24 -4.68 3.22 4.77 0.02 -4.78 117.00 114.72 1aoq n LEU 276 Ca 0.00 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.52 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 -0.23 1.33 1.21 -1.33 0.00 0.00 177.39 178.36 1aoq n GLU 277 N -2.02 2.28 -2.20 3.23 2.13 -1.26 -4.50 120.64 118.30 1aoq n GLU 277 Ca 0.00 0.83 -0.43 0.00 0.66 0.00 0.00 57.16 58.22 1aoq n GLU 277 Cb 0.11 -2.64 -0.02 0.00 0.27 0.00 0.00 31.44 29.16 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 2.08 4.22 -0.22 5.31 0.04 -1.26 -0.86 135.00 144.30 1aoq s PRO 278 Ca 0.83 1.95 0.01 0.00 0.04 0.00 0.00 61.00 63.82 1aoq s PRO 278 Cb -0.65 -3.84 -0.14 0.00 0.04 0.00 0.00 34.50 29.91 1aoq s PRO 278 CO 0.41 -0.75 -0.20 1.63 0.04 0.00 0.00 177.00 178.13 1aoq n LYS 279 N 6.68 0.55 -3.67 4.56 4.76 0.13 -4.95 118.16 126.21 1aoq n LYS 279 Ca 0.15 0.14 -0.12 0.00 -2.87 0.00 0.00 58.31 55.60 1aoq n LYS 279 Cb 0.44 -1.43 -0.12 0.00 -1.84 0.00 0.00 35.03 32.07 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 -2.44 0.19 -0.15 1.97 2.47 -0.91 -4.99 119.74 115.89 1aoq s LYS 280 Ca -0.30 0.77 -0.04 0.00 -1.56 0.00 0.00 55.97 54.84 1aoq s LYS 280 Cb 0.08 0.01 -0.03 0.00 -1.46 0.00 0.00 37.83 36.43 1aoq s LYS 280 CO 0.50 -0.26 -0.02 0.42 0.16 0.00 0.00 175.35 176.15 1aoq s ILE 281 N 2.23 4.02 -0.10 5.43 1.01 -1.26 -0.32 121.20 132.21 1aoq s ILE 281 Ca -0.01 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1aoq s ILE 281 Cb -0.12 -2.76 0.01 0.00 0.01 0.00 0.00 42.46 39.61 1aoq s ILE 281 CO -0.09 0.50 -0.15 -1.10 0.00 0.00 0.00 174.94 174.10 1aoq s GLN 282 N 0.21 2.22 0.37 2.79 -1.52 -0.04 -4.99 119.66 118.69 1aoq s GLN 282 Ca -0.01 -0.57 -0.25 0.00 -1.95 0.00 0.00 55.36 52.58 1aoq s GLN 282 Cb -0.14 -1.87 -0.09 0.00 -0.22 0.00 0.00 33.01 30.69 1aoq s GLN 282 CO 0.02 -0.04 1.05 0.45 -0.25 0.00 0.00 175.29 176.52 1aoq s SER 283 N 0.92 6.89 0.00 5.90 0.15 -1.26 -1.26 113.70 125.04 1aoq s SER 283 Ca -0.08 2.07 0.16 0.00 0.70 0.00 0.00 55.95 58.80 1aoq s SER 283 Cb -0.15 -2.59 0.21 0.00 -1.71 0.00 0.00 66.02 61.77 1aoq s SER 283 CO -0.01 -0.40 1.10 0.35 1.20 0.00 0.00 173.24 175.49 1aoq n THR 284 N 0.20 0.24 -1.84 6.45 -2.24 -0.30 -4.92 114.28 111.87 1aoq n THR 284 Ca 0.04 -0.62 -0.41 0.00 -2.27 0.00 0.00 64.05 60.79 1aoq n THR 284 Cb 0.49 1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 69.85 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 -1.28 4.14 0.00 -0.78 0.52 -1.26 -4.53 118.95 115.77 1aoq s ARG 285 Ca 0.23 2.53 0.00 0.00 -0.52 0.00 0.00 55.73 57.96 1aoq s ARG 285 Cb 0.15 -2.99 0.00 0.00 0.52 0.00 0.00 34.95 32.62 1aoq s ARG 285 CO 0.21 -0.51 0.00 0.41 0.02 0.00 0.00 175.30 175.43 1aoq n GLY 286 N 0.83 -0.54 3.85 -3.53 0.00 -1.08 -5.03 105.19 99.70 1aoq n GLY 286 Ca 0.02 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.63 3.86 0.43 1.61 -1.94 -1.26 0.20 119.30 121.57 1aoq s MET 287 Ca 0.00 0.32 -0.24 0.00 -1.71 0.00 0.00 55.69 54.06 1aoq s MET 287 Cb 0.00 -3.01 -0.08 0.00 2.01 0.00 0.00 34.83 33.75 1aoq s MET 287 CO 0.00 0.55 1.17 0.95 -0.01 0.00 0.00 175.02 177.68 1aoq s THR 288 N -1.38 3.12 0.24 2.05 -4.23 -0.17 -4.82 115.64 110.47 1aoq s THR 288 Ca 0.33 0.88 -0.03 0.00 -1.18 0.00 0.00 61.69 61.70 1aoq s THR 288 Cb -0.15 -3.47 0.10 0.00 1.34 0.00 0.00 72.50 70.32 1aoq s THR 288 CO 0.18 0.03 1.73 0.10 -0.54 0.00 0.00 174.62 176.12 1aoq h TYR 289 N 2.32 0.90 0.00 3.99 -0.00 -1.19 -2.44 116.97 120.55 1aoq h TYR 289 Ca -0.49 -0.13 0.00 0.00 -0.00 0.00 0.00 58.73 58.10 1aoq h TYR 289 Cb 1.24 -0.24 0.00 0.00 -0.00 0.00 0.00 36.73 37.73 1aoq h TYR 289 CO 0.54 0.83 -0.30 0.38 -0.00 0.00 0.00 178.16 179.61 1aoq h ASP 290 N 0.78 0.00 0.63 0.10 3.04 -1.93 -3.39 116.42 115.65 1aoq h ASP 290 Ca 0.15 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.94 1aoq h ASP 290 Cb 0.48 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.77 1aoq h ASP 290 CO 0.02 0.52 -0.00 -0.62 -2.04 0.00 0.00 179.24 177.12 1aoq n GLU 291 N -4.02 0.37 -3.87 4.15 1.02 -1.26 -4.93 120.64 112.10 1aoq n GLU 291 Ca -0.04 -0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.77 1aoq n GLU 291 Cb 0.15 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.08 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 -1.31 -1.04 -4.68 3.49 6.02 -0.92 -4.97 117.38 113.97 1aoq n GLN 292 Ca 0.13 0.52 -0.24 0.00 -0.01 0.00 0.00 57.00 57.40 1aoq n GLN 292 Cb 0.26 -2.58 -0.15 0.00 1.02 0.00 0.00 30.24 28.79 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 -5.84 1.31 0.23 -1.09 2.12 -1.26 -4.82 118.70 109.35 1aoq s GLU 293 Ca 0.20 -0.75 -0.31 0.00 0.36 0.00 0.00 54.97 54.48 1aoq s GLU 293 Cb -0.11 -1.33 -0.10 0.00 0.26 0.00 0.00 34.13 32.85 1aoq s GLU 293 CO 0.92 0.35 1.50 -0.47 -0.54 0.00 0.00 175.26 177.02 1aoq s TYR 294 N -0.61 3.00 -0.15 5.30 5.04 -1.26 -0.99 117.35 127.67 1aoq s TYR 294 Ca 0.06 0.86 0.00 0.00 -2.44 0.00 0.00 57.07 55.55 1aoq s TYR 294 Cb -0.08 -3.89 0.03 0.00 0.35 0.00 0.00 41.96 38.37 1aoq s TYR 294 CO 0.00 -3.04 -0.12 -1.58 -1.34 0.00 0.00 175.55 169.47 1aoq s HIS 295 N 0.38 2.08 -2.04 4.97 5.65 0.13 -4.91 115.29 121.55 1aoq s HIS 295 Ca 0.63 -1.20 0.32 0.00 0.25 0.00 0.00 55.06 55.06 1aoq s HIS 295 Cb -0.43 -1.54 1.82 0.00 -1.18 0.00 0.00 32.58 31.25 1aoq s HIS 295 CO 0.40 -0.66 2.18 -0.35 -0.65 0.00 0.00 174.74 175.66 1aoq n PRO 296 N 4.79 1.05 -3.04 2.88 -0.04 -1.26 -2.62 135.00 136.76 1aoq n PRO 296 Ca -0.16 -0.09 -0.15 0.00 -0.04 0.00 0.00 63.50 63.06 1aoq n PRO 296 Cb 0.49 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.89 1.01 -2.74 0.54 2.13 -1.26 -4.90 120.64 114.52 1aoq n GLU 297 Ca 0.23 -3.15 -0.42 0.00 0.66 0.00 0.00 57.16 54.48 1aoq n GLU 297 Cb 0.14 -1.51 -0.04 0.00 0.27 0.00 0.00 31.44 30.30 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 -2.16 3.15 0.35 5.31 0.02 -1.26 -4.76 135.00 135.65 1aoq s PRO 298 Ca 0.35 -0.58 -0.28 0.00 0.02 0.00 0.00 61.00 60.51 1aoq s PRO 298 Cb 0.36 -4.20 -0.10 0.00 0.02 0.00 0.00 34.50 30.58 1aoq s PRO 298 CO -0.06 -1.92 1.29 1.03 -0.33 0.00 0.00 177.00 177.01 1aoq s ARG 299 N 4.66 4.26 -0.09 5.54 0.52 -1.26 -4.69 118.95 127.89 1aoq s ARG 299 Ca 0.27 2.16 -0.26 0.00 -0.52 0.00 0.00 55.73 57.38 1aoq s ARG 299 Cb -0.13 -2.98 -0.02 0.00 0.52 0.00 0.00 34.95 32.33 1aoq s ARG 299 CO 0.13 -0.25 0.83 0.08 0.02 0.00 0.00 175.30 176.11 1aoq s VAL 300 N -1.19 4.93 0.00 3.52 1.01 -0.95 -0.96 120.40 126.76 1aoq s VAL 300 Ca 0.51 1.69 0.00 0.00 0.00 0.00 0.00 61.98 64.18 1aoq s VAL 300 Cb -0.38 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 31.84 1aoq s VAL 300 CO 0.50 0.13 0.00 0.00 0.00 0.00 0.00 175.10 175.73 1aoq n ALA 301 N 4.44 0.00 -1.75 5.51 0.00 -0.18 -4.55 120.51 123.99 1aoq n ALA 301 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.10 1aoq n ALA 301 Cb 0.50 0.00 0.04 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 -2.83 2.72 -0.07 0.00 0.00 -0.59 -4.61 121.76 116.39 1aoq s ALA 302 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1aoq s ALA 302 Cb 0.00 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.61 1aoq s ALA 302 CO 0.00 -1.31 -0.05 0.42 0.00 0.00 0.00 175.76 174.82 1aoq s ILE 303 N -1.38 0.71 0.45 0.00 1.01 -1.26 -1.74 121.20 119.00 1aoq s ILE 303 Ca 0.73 -0.16 0.04 0.00 0.00 0.00 0.00 60.65 61.26 1aoq s ILE 303 Cb -0.37 -0.75 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 1aoq s ILE 303 CO 0.43 0.29 0.01 -0.76 0.00 0.00 0.00 174.94 174.91 1aoq s LEU 304 N 1.31 2.53 -0.07 2.97 1.02 0.58 -4.68 118.68 122.34 1aoq s LEU 304 Ca -0.04 -1.52 0.04 0.00 0.02 0.00 0.00 54.13 52.63 1aoq s LEU 304 Cb -0.14 -0.76 0.00 0.00 0.02 0.00 0.00 46.19 45.32 1aoq s LEU 304 CO -0.02 -0.67 -0.19 0.00 0.02 0.00 0.00 176.35 175.49 1aoq s ALA 305 N -2.84 1.75 0.40 4.21 0.00 -1.26 0.16 121.76 124.18 1aoq s ALA 305 Ca 0.21 -0.76 -0.25 0.00 0.00 0.00 0.00 51.96 51.16 1aoq s ALA 305 Cb 0.06 -0.63 -0.08 0.00 0.00 0.00 0.00 23.12 22.46 1aoq s ALA 305 CO 0.11 0.27 1.14 0.45 0.00 0.00 0.00 175.76 177.73 1aoq s SER 306 N 0.23 6.55 0.00 0.00 0.15 -0.37 -4.82 113.70 115.43 1aoq s SER 306 Ca -0.10 2.28 0.16 0.00 0.70 0.00 0.00 55.95 58.98 1aoq s SER 306 Cb -0.15 -2.61 -0.06 0.00 -1.71 0.00 0.00 66.02 61.50 1aoq s SER 306 CO 0.05 -0.65 0.78 1.41 1.20 0.00 0.00 173.24 176.03 1aoq n HIS 307 N 0.02 0.00 -0.10 3.44 8.25 -1.26 -3.12 115.22 122.45 1aoq n HIS 307 Ca 0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.41 1aoq n HIS 307 Cb 0.47 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.43 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 -0.55 0.00 -4.08 4.41 4.02 -1.26 -4.66 117.16 115.04 1aoq n TYR 308 Ca 0.05 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.87 1aoq n TYR 308 Cb 0.30 -0.98 -0.10 0.00 -0.02 0.00 0.00 39.34 38.54 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 -2.48 0.58 -1.20 -0.72 0.52 -1.26 -4.98 118.95 109.41 1aoq s ARG 309 Ca -0.10 -1.12 -0.17 0.00 -0.52 0.00 0.00 55.73 53.82 1aoq s ARG 309 Cb 0.06 0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.63 1aoq s ARG 309 CO 0.81 -0.09 2.14 -0.35 0.02 0.00 0.00 175.30 177.83 1aoq n PRO 310 N 0.37 2.36 -4.09 3.54 -0.04 -1.26 -4.48 135.00 131.39 1aoq n PRO 310 Ca -0.16 -2.28 -0.10 0.00 -0.04 0.00 0.00 63.50 60.92 1aoq n PRO 310 Cb 0.60 -3.12 -0.10 0.00 -0.04 0.00 0.00 33.50 30.84 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 3.84 0.62 0.01 0.54 2.02 -1.26 -1.65 118.70 122.83 1aoq s GLU 311 Ca 0.51 -1.05 -0.00 0.00 0.02 0.00 0.00 54.97 54.45 1aoq s GLU 311 Cb 0.14 -0.06 -0.04 0.00 0.10 0.00 0.00 34.13 34.27 1aoq s GLU 311 CO -0.01 -0.03 0.11 -0.06 0.02 0.00 0.00 175.26 175.29 1aoq s PHE 312 N -2.83 3.35 -0.33 1.61 0.08 0.05 -1.24 117.98 118.68 1aoq s PHE 312 Ca 0.01 0.22 -0.06 0.00 0.12 0.00 0.00 56.93 57.22 1aoq s PHE 312 Cb -0.00 -1.74 0.04 0.00 -0.57 0.00 0.00 43.02 40.75 1aoq s PHE 312 CO -0.04 0.57 0.09 0.42 -0.10 0.00 0.00 175.22 176.16 1aoq s ILE 313 N -1.28 3.70 -0.20 0.64 1.01 0.12 -0.73 121.20 124.46 1aoq s ILE 313 Ca 0.26 -1.15 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 1aoq s ILE 313 Cb -0.12 -3.09 -0.00 0.00 0.01 0.00 0.00 42.46 39.26 1aoq s ILE 313 CO 0.18 -0.16 -0.10 -0.69 0.00 0.00 0.00 174.94 174.17 1aoq s VAL 314 N 1.39 2.96 -0.15 2.92 1.01 0.42 -0.30 120.40 128.64 1aoq s VAL 314 Ca -0.02 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 1aoq s VAL 314 Cb -0.19 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1aoq s VAL 314 CO 0.02 0.47 0.75 0.20 0.00 0.00 0.00 175.10 176.54 1aoq s ASN 315 N 1.33 6.89 -0.36 3.32 0.01 -0.71 -0.40 114.94 125.03 1aoq s ASN 315 Ca 0.04 1.09 -0.04 0.00 -0.71 0.00 0.00 52.86 53.24 1aoq s ASN 315 Cb -0.14 -2.42 0.07 0.00 0.41 0.00 0.00 41.25 39.18 1aoq s ASN 315 CO -0.05 -0.30 0.12 -0.69 -1.51 0.00 0.00 177.10 174.67 1aoq s VAL 316 N 1.75 3.36 0.00 1.60 1.01 0.15 -1.01 120.40 127.26 1aoq s VAL 316 Ca 0.36 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1aoq s VAL 316 Cb -0.17 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1aoq s VAL 316 CO 0.13 -0.37 0.79 1.17 0.00 0.00 0.00 175.10 176.83 1aoq n LYS 317 N 4.67 0.00 0.28 2.72 4.81 -0.13 -2.24 118.16 128.26 1aoq n LYS 317 Ca -0.09 0.52 0.14 0.00 -0.87 0.00 0.00 58.31 58.00 1aoq n LYS 317 Cb 0.43 -1.29 0.81 0.00 0.02 0.00 0.00 35.03 34.99 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 -1.86 0.53 114.58 117.96 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 0.06 -0.85 0.25 -1.40 0.00 0.00 179.01 177.07 1aoq n THR 319 N -3.77 0.06 -3.19 1.13 -2.24 -1.25 -4.71 114.28 100.31 1aoq n THR 319 Ca -0.02 -0.09 -0.15 0.00 -2.27 0.00 0.00 64.05 61.51 1aoq n THR 319 Cb 0.16 0.45 0.06 0.00 -2.10 0.00 0.00 70.33 68.90 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 1.45 -0.08 3.33 3.38 0.00 -0.95 -0.70 105.19 111.62 1aoq n GLY 320 Ca 0.04 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.66 2.55 -0.23 1.61 -0.14 -1.02 -1.14 119.74 115.71 1aoq s LYS 321 Ca 0.30 -0.84 -0.04 0.00 -1.36 0.00 0.00 55.97 54.02 1aoq s LYS 321 Cb -0.13 -2.23 -0.01 0.00 -1.68 0.00 0.00 37.83 33.77 1aoq s LYS 321 CO 0.50 0.45 -0.02 0.42 -0.76 0.00 0.00 175.35 175.94 1aoq s ILE 322 N -0.30 3.51 -0.17 2.17 1.01 -0.44 -0.67 121.20 126.30 1aoq s ILE 322 Ca 0.01 -0.49 -0.08 0.00 0.00 0.00 0.00 60.65 60.09 1aoq s ILE 322 Cb -0.13 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 1aoq s ILE 322 CO 0.02 0.38 0.11 -0.76 0.00 0.00 0.00 174.94 174.69 1aoq s LEU 323 N 1.49 4.13 -0.38 2.97 1.43 0.47 -0.59 118.68 128.19 1aoq s LEU 323 Ca 0.05 0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 53.31 1aoq s LEU 323 Cb -0.15 -2.04 0.05 0.00 0.03 0.00 0.00 46.19 44.08 1aoq s LEU 323 CO -0.02 0.24 0.20 -0.76 0.23 0.00 0.00 176.35 176.23 1aoq s LEU 324 N 0.01 4.77 -0.34 1.79 1.43 -0.14 -0.44 118.68 125.75 1aoq s LEU 324 Ca 0.09 -1.24 -0.11 0.00 -1.03 0.00 0.00 54.13 51.83 1aoq s LEU 324 Cb -0.12 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.14 1aoq s LEU 324 CO -0.00 -0.43 0.20 -0.69 0.23 0.00 0.00 176.35 175.66 1aoq s VAL 325 N 1.45 4.85 -0.35 -1.59 1.01 0.10 -1.21 120.40 124.66 1aoq s VAL 325 Ca 0.01 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 1aoq s VAL 325 Cb -0.21 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.65 1aoq s VAL 325 CO 0.04 -0.05 1.09 -0.62 0.00 0.00 0.00 175.10 175.56 1aoq s ASP 326 N 1.64 6.88 -0.11 3.32 -1.08 -0.52 -0.77 116.67 126.03 1aoq s ASP 326 Ca 0.05 0.95 0.13 0.00 -0.52 0.00 0.00 52.55 53.15 1aoq s ASP 326 Cb -0.18 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.31 1aoq s ASP 326 CO 0.08 -0.94 1.43 0.00 0.52 0.00 0.00 175.17 176.25 1aoq n TYR 327 N 7.03 1.27 0.29 -5.34 0.18 -0.66 -4.22 117.16 115.71 1aoq n TYR 327 Ca 0.12 -0.48 0.14 0.00 1.88 0.00 0.00 57.90 59.56 1aoq n TYR 327 Cb 0.47 -0.26 0.36 0.00 -0.38 0.00 0.00 39.34 39.53 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 3.10 0.00 -1.86 -3.48 1.35 -1.92 -3.41 112.91 106.68 1aoq h THR 328 Ca 0.00 -0.76 -0.18 0.00 -0.55 0.00 0.00 66.41 64.92 1aoq h THR 328 Cb 1.29 1.75 -0.30 0.00 -1.73 0.00 0.00 68.15 69.17 1aoq h THR 328 CO 0.23 0.00 -0.51 -0.62 -0.25 0.00 0.00 175.52 174.38 1aoq s ASP 329 N -5.77 0.39 0.00 5.36 -1.08 -1.26 -5.03 116.67 109.29 1aoq s ASP 329 Ca 0.06 -0.02 0.27 0.00 -0.52 0.00 0.00 52.55 52.34 1aoq s ASP 329 Cb 0.07 1.06 0.91 0.00 -1.46 0.00 0.00 42.92 43.50 1aoq s ASP 329 CO 0.61 -0.32 1.69 0.18 0.52 0.00 0.00 175.17 177.85 1aoq n LEU 330 N 5.36 0.26 -0.04 -1.34 4.77 -1.26 -3.52 117.00 121.22 1aoq n LEU 330 Ca -0.02 0.24 -0.22 0.00 -0.03 0.00 0.00 56.01 55.98 1aoq n LEU 330 Cb 0.50 -0.37 -0.13 0.00 -2.33 0.00 0.00 43.42 41.09 1aoq n LEU 330 CO 0.03 0.06 -0.77 0.59 -1.33 0.00 0.00 177.39 175.98 1aoq n ASN 331 N -1.46 2.03 -4.04 -1.43 5.03 -1.26 -4.36 115.26 109.77 1aoq n ASN 331 Ca 0.07 0.27 -0.38 0.00 0.87 0.00 0.00 54.58 55.41 1aoq n ASN 331 Cb 0.33 -0.87 -0.04 0.00 -1.02 0.00 0.00 39.78 38.18 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 -3.81 4.86 -4.62 6.41 3.02 -1.25 -5.04 115.26 114.83 1aoq n ASN 332 Ca -0.34 -3.22 -0.43 0.00 -0.03 0.00 0.00 54.58 50.57 1aoq n ASN 332 Cb 0.92 -1.11 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 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 -1.82 3.80 -0.14 3.41 2.96 -1.23 -4.73 118.68 120.92 1aoq s LEU 333 Ca 0.31 1.19 -0.15 0.00 -0.22 0.00 0.00 54.13 55.26 1aoq s LEU 333 Cb -0.02 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.09 1aoq s LEU 333 CO -0.05 -1.23 0.35 -0.54 -1.32 0.00 0.00 176.35 173.56 1aoq s LYS 334 N 4.51 4.27 0.04 1.98 1.02 -1.26 -5.03 119.74 125.26 1aoq s LYS 334 Ca 0.61 0.22 -0.01 0.00 0.02 0.00 0.00 55.97 56.81 1aoq s LYS 334 Cb -0.18 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.68 1aoq s LYS 334 CO 0.27 0.23 -0.03 0.95 -0.92 0.00 0.00 175.35 175.85 1aoq s THR 335 N 0.45 0.17 -0.19 2.17 -4.23 -1.26 -1.44 115.64 111.31 1aoq s THR 335 Ca 0.20 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 1aoq s THR 335 Cb -0.14 -0.91 0.03 0.00 1.34 0.00 0.00 72.50 72.82 1aoq s THR 335 CO 0.06 -0.76 -0.15 -0.89 -0.54 0.00 0.00 174.62 172.34 1aoq s THR 336 N -2.74 1.90 -0.52 3.99 2.01 -0.35 -4.96 115.64 114.98 1aoq s THR 336 Ca -0.04 -1.03 -0.17 0.00 0.31 0.00 0.00 61.69 60.76 1aoq s THR 336 Cb -0.01 -1.84 0.09 0.00 0.01 0.00 0.00 72.50 70.75 1aoq s THR 336 CO -0.06 0.34 0.53 -0.70 -0.69 0.00 0.00 174.62 174.04 1aoq s GLU 337 N 1.31 3.03 -0.28 4.92 2.12 -1.26 -0.97 118.70 127.57 1aoq s GLU 337 Ca 0.01 -1.32 -0.18 0.00 0.36 0.00 0.00 54.97 53.85 1aoq s GLU 337 Cb -0.15 -4.18 -0.02 0.00 0.26 0.00 0.00 34.13 30.03 1aoq s GLU 337 CO -0.10 -1.23 0.51 0.42 -0.54 0.00 0.00 175.26 174.32 1aoq s ILE 338 N 2.04 5.06 -0.06 -3.70 1.01 0.24 -4.93 121.20 120.85 1aoq s ILE 338 Ca 0.08 0.77 -0.30 0.00 0.00 0.00 0.00 60.65 61.20 1aoq s ILE 338 Cb -0.24 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 1aoq s ILE 338 CO 0.07 0.03 1.52 -0.44 0.00 0.00 0.00 174.94 176.12 1aoq s SER 339 N 1.59 6.76 0.00 3.58 0.01 -1.26 -1.32 113.70 123.06 1aoq s SER 339 Ca 0.21 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.56 1aoq s SER 339 Cb -0.16 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1aoq s SER 339 CO 0.10 -0.85 0.00 0.00 0.41 0.00 0.00 173.24 172.90 1aoq n ALA 340 N 6.63 0.00 -3.32 1.44 0.00 -0.29 -4.91 120.51 120.06 1aoq n ALA 340 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 1aoq n ALA 340 Cb 0.43 0.00 -0.09 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 1.15 0.62 0.61 0.00 2.56 -1.21 -5.01 118.70 117.42 1aoq s GLU 341 Ca 0.00 0.29 -0.17 0.00 0.00 0.00 0.00 54.97 55.09 1aoq s GLU 341 Cb 0.00 0.29 -0.02 0.00 2.00 0.00 0.00 34.13 36.40 1aoq s GLU 341 CO 0.00 -0.13 1.14 1.03 -0.56 0.00 0.00 175.26 176.74 1aoq s ARG 342 N -0.46 2.97 -0.26 4.30 0.52 -1.26 -3.96 118.95 120.81 1aoq s ARG 342 Ca -0.06 1.58 -0.00 0.00 -0.52 0.00 0.00 55.73 56.73 1aoq s ARG 342 Cb -0.03 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.48 1aoq s ARG 342 CO 0.03 -1.15 0.07 1.19 0.02 0.00 0.00 175.30 175.46 1aoq n PHE 343 N -1.89 -0.26 -1.92 -0.53 3.72 0.14 -4.63 117.46 112.08 1aoq n PHE 343 Ca 0.12 0.06 -0.41 0.00 -0.05 0.00 0.00 57.45 57.16 1aoq n PHE 343 Cb 0.51 -1.52 -0.01 0.00 -0.94 0.00 0.00 39.48 37.52 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 -1.31 4.36 0.00 4.37 1.43 -1.23 -2.14 118.68 124.16 1aoq s LEU 344 Ca 0.03 2.89 0.00 0.00 -1.03 0.00 0.00 54.13 56.03 1aoq s LEU 344 Cb -0.01 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1aoq s LEU 344 CO 0.04 -0.75 0.00 1.57 0.23 0.00 0.00 176.35 177.44 1aoq n HIS 345 N 0.81 0.00 -3.41 0.29 -0.00 -0.24 -4.22 115.22 108.45 1aoq n HIS 345 Ca 0.01 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.00 1aoq n HIS 345 Cb 0.40 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.25 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 5.21 0.00 0.26 -4.77 -1.26 -1.54 116.67 115.57 1aoq s ASP 346 Ca 0.00 -0.67 0.00 0.00 -3.30 0.00 0.00 52.55 48.58 1aoq s ASP 346 Cb 0.00 -0.57 0.00 0.00 -1.09 0.00 0.00 42.92 41.26 1aoq s ASP 346 CO 0.00 -0.70 0.00 0.61 0.70 0.00 0.00 175.17 175.78 1aoq n GLY 347 N -1.64 -1.49 3.77 2.12 0.00 -0.81 -0.98 105.19 106.17 1aoq n GLY 347 Ca 0.05 -1.05 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 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 0.10 0.39 -0.02 0.00 -0.10 -4.10 107.32 103.60 1aoq s GLY 348 Ca 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 44.72 44.15 1aoq s GLY 348 CO 0.00 -0.26 0.74 1.08 0.00 0.00 0.00 173.10 174.66 1aoq s LEU 349 N -2.95 3.84 0.00 0.66 1.43 -1.26 -0.26 118.68 120.14 1aoq s LEU 349 Ca 0.14 1.04 -0.18 0.00 -1.03 0.00 0.00 54.13 54.11 1aoq s LEU 349 Cb -0.04 -3.92 0.25 0.00 0.03 0.00 0.00 46.19 42.51 1aoq s LEU 349 CO 0.07 -0.39 1.14 -0.90 0.23 0.00 0.00 176.35 176.51 1aoq n ASP 350 N -1.35 -0.96 -0.18 2.29 5.75 -0.01 -4.84 116.55 117.24 1aoq n ASP 350 Ca 0.01 -1.29 0.09 0.00 -0.01 0.00 0.00 54.79 53.59 1aoq n ASP 350 Cb 0.54 -0.95 0.38 0.00 -1.03 0.00 0.00 41.12 40.06 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 -2.11 0.94 1.88 6.12 0.00 -1.92 -0.15 103.07 107.83 1aoq h GLY 351 Ca -0.40 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1aoq h GLY 351 CO 0.27 0.18 0.00 -1.14 0.00 0.00 0.00 176.54 175.85 1aoq n SER 352 N -4.49 0.00 -1.07 0.19 3.41 -1.26 -4.89 113.62 105.50 1aoq n SER 352 Ca 0.12 0.34 -0.14 0.00 -0.26 0.00 0.00 58.87 58.93 1aoq n SER 352 Cb 0.30 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.44 0.00 -0.11 7.33 8.25 -0.07 -4.89 115.22 124.30 1aoq n HIS 353 Ca 0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.40 1aoq n HIS 353 Cb 0.27 -2.52 -0.14 0.00 1.12 0.00 0.00 29.99 28.72 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 -2.54 0.67 -4.40 -0.41 0.63 -1.26 -4.39 116.66 104.97 1aoq n ARG 354 Ca -0.14 0.07 -0.34 0.00 -0.92 0.00 0.00 57.85 56.52 1aoq n ARG 354 Cb 0.47 -1.53 -0.12 0.00 0.45 0.00 0.00 32.46 31.73 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 -2.51 3.04 -0.24 -0.14 2.02 -1.26 -0.90 117.35 117.36 1aoq s TYR 355 Ca -0.20 -0.23 -0.15 0.00 -0.37 0.00 0.00 57.07 56.13 1aoq s TYR 355 Cb 0.07 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 1aoq s TYR 355 CO 0.74 0.03 0.36 0.12 -1.57 0.00 0.00 175.55 175.23 1aoq s PHE 356 N 0.20 3.31 -0.22 2.71 5.36 0.00 -0.83 117.98 128.51 1aoq s PHE 356 Ca -0.02 0.47 -0.02 0.00 -0.96 0.00 0.00 56.93 56.41 1aoq s PHE 356 Cb -0.14 -2.51 0.01 0.00 -0.34 0.00 0.00 43.02 40.04 1aoq s PHE 356 CO 0.03 -0.10 -0.09 0.42 -1.46 0.00 0.00 175.22 174.01 1aoq s ILE 357 N 1.62 2.84 0.04 3.12 1.01 0.64 -0.56 121.20 129.91 1aoq s ILE 357 Ca 0.16 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 60.06 1aoq s ILE 357 Cb -0.15 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 1aoq s ILE 357 CO 0.08 0.39 -0.11 0.28 0.00 0.00 0.00 174.94 175.58 1aoq s THR 358 N 1.38 0.87 -0.16 2.92 -1.32 0.17 -0.92 115.64 118.57 1aoq s THR 358 Ca 0.04 -1.02 -0.21 0.00 -1.21 0.00 0.00 61.69 59.28 1aoq s THR 358 Cb -0.15 -0.84 -0.03 0.00 -1.51 0.00 0.00 72.50 69.98 1aoq s THR 358 CO -0.06 -0.16 0.65 0.00 -2.21 0.00 0.00 174.62 172.84 1aoq s ALA 359 N -1.04 3.50 -1.13 11.08 0.00 -0.15 -0.17 121.76 133.84 1aoq s ALA 359 Ca -0.03 -0.16 -0.09 0.00 0.00 0.00 0.00 51.96 51.68 1aoq s ALA 359 Cb -0.08 -2.96 0.26 0.00 0.00 0.00 0.00 23.12 20.34 1aoq s ALA 359 CO 0.01 -0.42 1.19 0.00 0.00 0.00 0.00 175.76 176.54 1aoq n ALA 360 N 4.69 4.24 -0.15 0.00 0.00 0.04 -1.07 120.51 128.26 1aoq n ALA 360 Ca -0.01 -4.61 -0.04 0.00 0.00 0.00 0.00 53.44 48.78 1aoq n ALA 360 Cb 0.50 -2.55 0.03 0.00 0.00 0.00 0.00 19.45 17.43 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 6.65 -0.49 0.47 0.00 7.08 -1.66 -2.19 115.58 125.44 1aoq h ASN 361 Ca 0.20 0.15 0.00 0.00 -3.08 0.00 0.00 56.30 53.57 1aoq h ASN 361 Cb 0.86 0.31 0.00 0.00 -2.08 0.00 0.00 38.32 37.41 1aoq h ASN 361 CO 1.07 -0.17 0.00 0.00 -2.08 0.00 0.00 177.43 176.25 1aoq h ALA 362 N 1.42 1.00 -0.33 4.14 0.00 -1.86 -1.72 119.26 121.92 1aoq h ALA 362 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1aoq h ALA 362 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1aoq h ALA 362 CO -0.50 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.29 1aoq n ARG 363 N -2.77 2.23 -2.78 0.00 1.74 -0.87 -4.95 116.66 109.27 1aoq n ARG 363 Ca -0.01 -2.00 -0.20 0.00 -0.77 0.00 0.00 57.85 54.87 1aoq n ARG 363 Cb 0.17 -1.37 0.01 0.00 -1.02 0.00 0.00 32.46 30.25 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 0.99 -5.24 -4.51 0.55 3.02 -0.64 -4.97 115.26 104.46 1aoq n ASN 364 Ca 0.14 -0.12 -0.27 0.00 -0.03 0.00 0.00 54.58 54.30 1aoq n ASN 364 Cb 0.48 -4.32 -0.10 0.00 -0.61 0.00 0.00 39.78 35.23 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 -5.42 1.83 -0.14 3.52 -0.14 -1.07 -1.54 119.74 116.77 1aoq s LYS 365 Ca 0.17 -1.40 -0.00 0.00 -1.36 0.00 0.00 55.97 53.38 1aoq s LYS 365 Cb -0.08 -2.01 -0.01 0.00 -1.68 0.00 0.00 37.83 34.05 1aoq s LYS 365 CO 0.21 0.41 -0.14 -0.51 -0.76 0.00 0.00 175.35 174.57 1aoq s LEU 366 N -2.81 2.63 -0.13 3.17 1.43 0.15 -0.78 118.68 122.33 1aoq s LEU 366 Ca 0.23 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.92 1aoq s LEU 366 Cb -0.08 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 1aoq s LEU 366 CO 0.13 0.13 -0.01 -0.69 0.23 0.00 0.00 176.35 176.14 1aoq s VAL 367 N 0.57 4.19 -0.14 -1.59 1.01 0.75 -1.25 120.40 123.94 1aoq s VAL 367 Ca -0.08 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1aoq s VAL 367 Cb -0.16 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 1aoq s VAL 367 CO 0.03 0.53 -0.17 -0.69 0.00 0.00 0.00 175.10 174.80 1aoq s VAL 368 N -0.15 2.55 -0.06 2.92 1.01 0.23 -0.66 120.40 126.24 1aoq s VAL 368 Ca 0.04 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.25 1aoq s VAL 368 Cb -0.13 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 1aoq s VAL 368 CO 0.02 0.53 -0.24 -0.63 0.00 0.00 0.00 175.10 174.79 1aoq s ILE 369 N 0.60 2.20 -0.40 2.22 -1.09 0.27 -0.29 121.20 124.72 1aoq s ILE 369 Ca -0.10 -1.02 -0.21 0.00 -2.23 0.00 0.00 60.65 57.09 1aoq s ILE 369 Cb -0.16 -1.81 0.01 0.00 -1.58 0.00 0.00 42.46 38.93 1aoq s ILE 369 CO 0.03 0.57 0.68 -0.62 -1.23 0.00 0.00 174.94 174.37 1aoq s ASP 370 N -0.24 6.41 0.30 3.58 -1.08 -0.12 -0.82 116.67 124.70 1aoq s ASP 370 Ca -0.01 -0.02 0.26 0.00 -0.52 0.00 0.00 52.55 52.26 1aoq s ASP 370 Cb -0.13 -2.34 0.83 0.00 -1.46 0.00 0.00 42.92 39.81 1aoq s ASP 370 CO 0.03 -0.72 1.75 0.71 0.52 0.00 0.00 175.17 177.46 1aoq h THR 371 N 5.80 0.00 0.03 1.71 1.35 -1.32 0.13 112.91 120.61 1aoq h THR 371 Ca -0.26 -0.52 -0.09 0.00 -0.55 0.00 0.00 66.41 65.00 1aoq h THR 371 Cb 1.10 1.45 0.01 0.00 -1.73 0.00 0.00 68.15 68.98 1aoq h THR 371 CO 0.88 0.00 -0.37 0.50 -0.25 0.00 0.00 175.52 176.29 1aoq h LYS 372 N 0.00 0.19 0.00 4.72 3.64 -1.92 -3.34 116.57 119.86 1aoq h LYS 372 Ca 0.00 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1aoq h LYS 372 Cb 0.67 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1aoq h LYS 372 CO 0.00 1.03 -0.77 0.93 -2.27 0.00 0.00 179.45 178.37 1aoq h GLU 373 N -0.53 0.00 -3.90 1.90 4.39 -1.94 -3.49 114.58 111.01 1aoq h GLU 373 Ca -0.06 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.46 1aoq h GLU 373 Cb 1.18 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 29.92 1aoq h GLU 373 CO 0.07 0.00 -0.41 0.41 -1.16 0.00 0.00 179.01 177.92 1aoq n GLY 374 N 1.26 0.03 3.21 -3.84 0.00 0.42 -5.05 105.19 101.22 1aoq n GLY 374 Ca 0.02 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1aoq n GLY 374 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aoq s LYS 375 N -4.92 0.81 0.24 1.61 1.02 -1.03 -4.99 119.74 112.48 1aoq s LYS 375 Ca 0.06 -0.81 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 1aoq s LYS 375 Cb -0.03 0.34 -0.09 0.00 -0.52 0.00 0.00 37.83 37.53 1aoq s LYS 375 CO 0.39 -0.26 1.31 -1.17 -0.92 0.00 0.00 175.35 174.71 1aoq s LEU 376 N -2.57 4.42 -0.14 3.17 2.96 -1.26 -0.94 118.68 124.32 1aoq s LEU 376 Ca 0.01 2.49 -0.00 0.00 -0.22 0.00 0.00 54.13 56.41 1aoq s LEU 376 Cb 0.03 -3.62 -0.09 0.00 0.50 0.00 0.00 46.19 43.01 1aoq s LEU 376 CO -0.08 -0.52 -0.13 0.52 -1.32 0.00 0.00 176.35 174.81 1aoq n VAL 377 N 2.10 0.79 -3.49 1.68 0.31 0.60 -4.87 118.33 115.46 1aoq n VAL 377 Ca 0.04 -0.29 -0.10 0.00 -0.01 0.00 0.00 64.34 63.99 1aoq n VAL 377 Cb 0.42 -1.10 -0.02 0.00 -0.91 0.00 0.00 33.84 32.23 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 -2.27 -1.71 -0.07 3.52 0.00 -1.14 -4.99 121.76 115.10 1aoq s ALA 378 Ca -0.19 0.72 -0.03 0.00 0.00 0.00 0.00 51.96 52.47 1aoq s ALA 378 Cb 0.05 0.64 0.04 0.00 0.00 0.00 0.00 23.12 23.85 1aoq s ALA 378 CO 0.31 -0.74 0.12 0.42 0.00 0.00 0.00 175.76 175.87 1aoq s ILE 379 N -3.41 -0.20 -0.00 0.00 1.01 -1.26 -0.61 121.20 116.73 1aoq s ILE 379 Ca 0.04 0.36 0.02 0.00 0.00 0.00 0.00 60.65 61.07 1aoq s ILE 379 Cb -0.01 -0.26 -0.00 0.00 0.01 0.00 0.00 42.46 42.20 1aoq s ILE 379 CO -0.10 0.14 -0.06 -1.61 0.00 0.00 0.00 174.94 173.32 1aoq s GLU 380 N 2.25 0.47 0.13 2.79 0.41 -0.38 -4.95 118.70 119.41 1aoq s GLU 380 Ca 0.04 -0.21 -0.30 0.00 -0.41 0.00 0.00 54.97 54.08 1aoq s GLU 380 Cb -0.12 -0.45 -0.06 0.00 -1.78 0.00 0.00 34.13 31.72 1aoq s GLU 380 CO -0.05 0.12 1.04 0.34 -0.49 0.00 0.00 175.26 176.22 1aoq s ASP 381 N -0.16 7.37 0.26 -0.19 -1.08 -1.26 -0.68 116.67 120.93 1aoq s ASP 381 Ca 0.02 1.92 0.26 0.00 -0.52 0.00 0.00 52.55 54.23 1aoq s ASP 381 Cb -0.02 -2.59 0.77 0.00 -1.46 0.00 0.00 42.92 39.61 1aoq s ASP 381 CO -0.00 -0.16 1.75 0.71 0.52 0.00 0.00 175.17 177.98 1aoq h THR 382 N 3.97 0.00 0.00 1.71 1.35 -1.64 -3.47 112.91 114.84 1aoq h THR 382 Ca -0.43 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1aoq h THR 382 Cb 1.21 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1aoq h THR 382 CO 0.73 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.61 1aoq n GLY 383 N 1.12 0.91 3.79 5.82 0.00 -1.26 -4.89 105.19 110.68 1aoq n GLY 383 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.84 2.57 -0.29 -0.02 0.00 -1.26 -5.10 107.32 101.39 1aoq s GLY 384 Ca 0.00 -1.31 -0.09 0.00 0.00 0.00 0.00 44.72 43.32 1aoq s GLY 384 CO 0.00 -2.02 0.13 1.20 0.00 0.00 0.00 173.10 172.41 1aoq s GLN 385 N -4.01 3.49 -0.72 2.90 -1.52 -1.26 -4.72 119.66 113.83 1aoq s GLN 385 Ca 0.28 -0.61 -0.00 0.00 -1.95 0.00 0.00 55.36 53.08 1aoq s GLN 385 Cb 0.02 -3.49 -0.00 0.00 -0.22 0.00 0.00 33.01 29.31 1aoq s GLN 385 CO 0.16 -0.32 0.68 2.41 -0.25 0.00 0.00 175.29 177.96 1aoq n THR 386 N 4.97 -9.82 -1.88 -0.19 -1.04 -1.25 -0.64 114.28 104.42 1aoq n THR 386 Ca -0.15 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.05 61.21 1aoq n THR 386 Cb 0.50 -6.80 -0.01 0.00 -1.82 0.00 0.00 70.33 62.20 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 -3.02 4.18 -0.36 -2.82 0.04 -1.26 -0.95 135.00 130.80 1aoq s PRO 387 Ca 0.01 2.47 0.01 0.00 0.04 0.00 0.00 61.00 63.53 1aoq s PRO 387 Cb -0.00 -3.02 0.15 0.00 0.04 0.00 0.00 34.50 31.67 1aoq s PRO 387 CO 0.72 -0.48 0.25 -1.58 0.04 0.00 0.00 177.00 175.95 1aoq s HIS 388 N -0.69 0.70 -0.23 0.56 2.46 -0.65 -4.52 115.29 112.92 1aoq s HIS 388 Ca 0.56 -1.70 0.19 0.00 0.47 0.00 0.00 55.06 54.57 1aoq s HIS 388 Cb -0.45 -0.86 0.27 0.00 -0.13 0.00 0.00 32.58 31.40 1aoq s HIS 388 CO 0.55 -0.84 1.55 -1.00 -2.47 0.00 0.00 174.74 172.53 1aoq h PRO 389 N 6.72 0.00 0.00 2.88 0.13 -1.78 -3.39 132.00 136.56 1aoq h PRO 389 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 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 0.28 0.28 0.00 0.41 -0.23 0.00 0.00 178.00 178.74 1aoq n GLY 390 N 1.06 1.28 0.34 1.56 0.00 -1.26 -0.87 105.19 107.31 1aoq n GLY 390 Ca 0.03 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 12.61 1.13 0.00 1.61 1.74 -1.26 -1.93 116.66 130.57 1aoq n ARG 391 Ca 0.00 -0.69 0.00 0.00 -0.77 0.00 0.00 57.85 56.39 1aoq n ARG 391 Cb 0.00 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 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 1.30 -2.24 2.72 -0.13 0.00 -0.05 -3.47 105.19 103.31 1aoq n GLY 392 Ca 0.14 -1.58 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.12 0.62 -0.15 4.61 0.00 -0.96 -4.74 121.76 120.01 1aoq s ALA 393 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.64 1aoq s ALA 393 Cb 0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 1aoq s ALA 393 CO 0.00 -0.73 0.24 -0.80 0.00 0.00 0.00 175.76 174.47 1aoq s ASN 394 N 2.02 6.40 0.20 0.00 0.01 0.06 0.09 114.94 123.73 1aoq s ASN 394 Ca 0.03 0.47 -0.20 0.00 -0.71 0.00 0.00 52.86 52.45 1aoq s ASN 394 Cb -0.14 -2.15 0.04 0.00 0.41 0.00 0.00 41.25 39.41 1aoq s ASN 394 CO -0.06 0.18 0.60 0.72 -1.51 0.00 0.00 177.10 177.03 1aoq s PHE 395 N 0.12 -0.30 -0.43 2.20 -0.71 -0.52 -4.73 117.98 113.61 1aoq s PHE 395 Ca 0.15 -0.03 -0.17 0.00 -1.04 0.00 0.00 56.93 55.84 1aoq s PHE 395 Cb -0.13 0.53 0.03 0.00 -1.21 0.00 0.00 43.02 42.24 1aoq s PHE 395 CO 0.03 -0.97 0.44 0.08 -1.34 0.00 0.00 175.22 173.46 1aoq s VAL 396 N -3.84 5.09 0.08 -2.49 1.01 -1.26 -0.95 120.40 118.04 1aoq s VAL 396 Ca 0.06 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1aoq s VAL 396 Cb -0.02 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 1aoq s VAL 396 CO -0.04 -0.46 1.15 -2.28 0.00 0.00 0.00 175.10 173.47 1aoq s HIS 397 N 2.12 3.49 0.48 5.22 2.46 0.05 -4.91 115.29 124.21 1aoq s HIS 397 Ca 0.11 1.41 0.30 0.00 0.47 0.00 0.00 55.06 57.35 1aoq s HIS 397 Cb -0.18 -3.36 1.39 0.00 -0.13 0.00 0.00 32.58 30.31 1aoq s HIS 397 CO 0.13 -1.00 1.77 -1.35 -2.47 0.00 0.00 174.74 171.82 1aoq h PRO 398 N 6.43 0.14 0.00 2.88 0.11 -1.80 -0.38 132.00 139.38 1aoq h PRO 398 Ca -0.42 -0.01 -0.29 0.00 0.11 0.00 0.00 66.00 65.39 1aoq h PRO 398 Cb 1.21 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1aoq h PRO 398 CO 0.79 0.09 -2.01 2.41 -0.21 0.00 0.00 178.00 179.07 1aoq n THR 399 N -4.37 1.00 0.20 -1.15 -1.04 -1.26 -4.71 114.28 102.94 1aoq n THR 399 Ca 0.27 -0.30 0.10 0.00 -2.04 0.00 0.00 64.05 62.08 1aoq n THR 399 Cb 1.16 -1.52 0.25 0.00 -1.82 0.00 0.00 70.33 68.39 1aoq n THR 399 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1aoq h PHE 400 N -0.43 0.00 0.00 -1.42 0.04 -1.88 -3.50 116.94 109.75 1aoq h PHE 400 Ca -0.44 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1aoq h PHE 400 Cb 1.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.62 1aoq h PHE 400 CO -0.03 0.19 0.00 0.41 -0.60 0.00 0.00 178.31 178.27 1aoq n GLY 401 N 0.83 -1.60 3.67 -1.45 0.00 -0.16 -4.91 105.19 101.57 1aoq n GLY 401 Ca 0.02 -1.61 -0.47 0.00 0.00 0.00 0.00 46.02 43.96 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 2.12 -4.11 1.61 -0.02 -1.26 -0.77 135.00 132.57 1aoq n PRO 402 Ca 0.00 0.77 -0.09 0.00 -2.02 0.00 0.00 63.50 62.16 1aoq n PRO 402 Cb 0.00 -2.55 -0.10 0.00 -0.02 0.00 0.00 33.50 30.83 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 1.58 0.14 -0.03 -1.45 -7.23 -0.12 -1.70 120.40 111.58 1aoq s VAL 403 Ca 0.82 -1.82 0.04 0.00 -1.81 0.00 0.00 61.98 59.22 1aoq s VAL 403 Cb -0.69 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 1aoq s VAL 403 CO 0.41 -0.62 -0.16 0.86 -0.31 0.00 0.00 175.10 175.28 1aoq s TRP 404 N -4.00 1.56 0.21 2.82 -0.00 -0.62 -1.44 118.94 117.47 1aoq s TRP 404 Ca 0.18 -0.40 0.11 0.00 -0.00 0.00 0.00 56.10 55.99 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 -0.02 -0.12 -0.19 0.00 -0.00 0.00 0.00 176.95 176.62 1aoq s ALA 405 N -0.07 2.70 -0.03 5.86 0.00 0.11 -1.31 121.76 129.02 1aoq s ALA 405 Ca -0.01 -1.65 -0.09 0.00 0.00 0.00 0.00 51.96 50.21 1aoq s ALA 405 Cb -0.10 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.60 1aoq s ALA 405 CO 0.01 0.40 0.20 -0.08 0.00 0.00 0.00 175.76 176.30 1aoq s THR 406 N -1.87 0.05 0.41 0.00 -1.32 -0.75 -2.28 115.64 109.89 1aoq s THR 406 Ca 0.24 -0.44 0.05 0.00 -1.21 0.00 0.00 61.69 60.33 1aoq s THR 406 Cb -0.07 -0.44 0.05 0.00 -1.51 0.00 0.00 72.50 70.52 1aoq s THR 406 CO 0.12 -0.24 0.40 -1.54 -2.21 0.00 0.00 174.62 171.16 1aoq n SER 407 N 1.84 2.02 -4.15 8.08 3.41 -1.26 -0.97 113.62 122.59 1aoq n SER 407 Ca -0.20 -2.29 -0.17 0.00 -0.26 0.00 0.00 58.87 55.96 1aoq n SER 407 Cb 0.56 -0.13 -0.12 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.87 1.09 0.04 7.33 3.76 -1.14 -1.63 115.29 122.87 1aoq s HIS 408 Ca 0.31 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.72 1aoq s HIS 408 Cb -0.02 -0.61 -0.25 0.00 1.11 0.00 0.00 32.58 32.80 1aoq s HIS 408 CO 0.19 0.02 1.00 0.52 -0.85 0.00 0.00 174.74 175.63 1aoq h MET 409 N 4.16 0.15 0.00 1.40 2.86 -1.03 -2.63 114.93 119.84 1aoq h MET 409 Ca -0.39 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 56.96 1aoq h MET 409 Cb 1.19 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.95 1aoq h MET 409 CO 0.43 1.02 -0.11 0.78 1.06 0.00 0.00 176.91 180.09 1aoq h GLY 410 N 2.26 0.00 -0.83 8.32 0.00 -1.00 0.53 103.07 112.34 1aoq h GLY 410 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 1aoq h GLY 410 CO 0.15 0.00 -0.00 2.09 0.00 0.00 0.00 176.54 178.78 1aoq n ASP 411 N -3.14 -1.07 -0.53 0.19 5.68 -1.24 -4.81 116.55 111.64 1aoq n ASP 411 Ca 0.03 -2.14 0.09 0.00 -0.50 0.00 0.00 54.79 52.27 1aoq n ASP 411 Cb 0.54 1.89 0.32 0.00 -1.14 0.00 0.00 41.12 42.74 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 -1.65 1.57 -4.80 -1.12 5.68 -1.26 -4.07 116.55 110.91 1aoq n ASP 412 Ca -0.02 -1.77 -0.34 0.00 -0.50 0.00 0.00 54.79 52.17 1aoq n ASP 412 Cb 0.37 -0.13 -0.04 0.00 -1.14 0.00 0.00 41.12 40.19 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 -1.41 6.43 -0.11 -1.12 1.04 -1.26 0.14 113.70 117.41 1aoq s SER 413 Ca 0.29 1.90 0.03 0.00 0.48 0.00 0.00 55.95 58.65 1aoq s SER 413 Cb 0.15 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.73 1aoq s SER 413 CO 0.23 -0.72 -0.19 -0.69 0.98 0.00 0.00 173.24 172.85 1aoq s VAL 414 N -2.00 1.71 -0.03 5.02 1.01 0.93 -2.91 120.40 124.14 1aoq s VAL 414 Ca 0.66 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.92 1aoq s VAL 414 Cb -0.15 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1aoq s VAL 414 CO 0.19 0.48 -0.21 0.00 0.00 0.00 0.00 175.10 175.56 1aoq s ALA 415 N 0.73 2.38 -0.08 5.51 0.00 -0.14 -1.56 121.76 128.59 1aoq s ALA 415 Ca -0.11 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.80 1aoq s ALA 415 Cb -0.16 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 1aoq s ALA 415 CO 0.02 0.54 -0.14 -0.51 0.00 0.00 0.00 175.76 175.67 1aoq s LEU 416 N -0.72 2.70 -0.03 0.00 1.43 -0.83 -1.80 118.68 119.42 1aoq s LEU 416 Ca 0.11 -0.26 0.06 0.00 -1.03 0.00 0.00 54.13 53.01 1aoq s LEU 416 Cb -0.10 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 1aoq s LEU 416 CO -0.00 0.28 -0.21 -0.51 0.23 0.00 0.00 176.35 176.13 1aoq s ILE 417 N -0.31 1.70 0.27 -0.59 2.07 -0.43 -0.66 121.20 123.25 1aoq s ILE 417 Ca 0.02 -0.90 -0.29 0.00 -1.41 0.00 0.00 60.65 58.07 1aoq s ILE 417 Cb -0.13 -1.43 -0.09 0.00 0.13 0.00 0.00 42.46 40.94 1aoq s ILE 417 CO 0.03 0.48 1.22 -0.83 -1.91 0.00 0.00 174.94 173.93 1aoq s GLY 418 N -0.32 2.89 -0.11 1.50 0.00 -0.93 -1.59 107.32 108.77 1aoq s GLY 418 Ca 0.03 1.07 0.14 0.00 0.00 0.00 0.00 44.72 45.96 1aoq s GLY 418 CO 0.01 1.79 1.14 -1.30 0.00 0.00 0.00 173.10 174.74 1aoq n THR 419 N 1.47 1.36 -3.60 0.90 -2.24 -0.69 -0.21 114.28 111.26 1aoq n THR 419 Ca 0.01 -1.93 -0.27 0.00 -2.27 0.00 0.00 64.05 59.59 1aoq n THR 419 Cb 0.43 0.07 -0.10 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 1.59 0.19 3.42 2.03 -1.26 -4.95 116.55 116.75 1aoq n ASP 420 Ca 0.12 -2.89 0.12 0.00 0.52 0.00 0.00 54.79 52.66 1aoq n ASP 420 Cb 0.73 -0.66 0.67 0.00 -0.72 0.00 0.00 41.12 41.14 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 5.21 0.00 0.12 -0.67 0.13 -1.92 0.98 132.00 135.86 1aoq h PRO 421 Ca 0.19 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.13 1aoq h PRO 421 Cb 0.81 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.95 1aoq h PRO 421 CO 0.58 0.00 -0.87 0.93 -0.23 0.00 0.00 178.00 178.42 1aoq h GLU 422 N 0.00 0.26 0.00 0.86 4.39 -1.96 -3.23 114.58 114.89 1aoq h GLU 422 Ca 0.07 -0.44 -0.19 0.00 0.34 0.00 0.00 59.36 59.14 1aoq h GLU 422 Cb 0.28 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 1aoq h GLU 422 CO -0.00 1.21 -1.49 0.41 -1.16 0.00 0.00 179.01 177.98 1aoq n GLY 423 N 1.67 -1.16 2.27 -3.84 0.00 -1.18 -4.52 105.19 98.44 1aoq n GLY 423 Ca -0.16 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 1aoq n GLY 423 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1aoq n HIS 424 N -2.89 0.58 -0.31 1.61 8.25 0.33 -4.99 115.22 117.80 1aoq n HIS 424 Ca -0.11 -3.76 0.08 0.00 -0.26 0.00 0.00 57.72 53.67 1aoq n HIS 424 Cb 0.87 -0.41 0.24 0.00 1.12 0.00 0.00 29.99 31.81 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 3.47 0.67 0.00 -0.41 0.11 -1.59 -1.64 132.00 132.61 1aoq h PRO 425 Ca 0.10 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 1aoq h PRO 425 Cb 0.87 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 1aoq h PRO 425 CO 0.54 0.44 -0.10 -0.44 -0.21 0.00 0.00 178.00 178.23 1aoq h ASP 426 N 0.69 0.00 0.00 -2.05 3.32 -1.90 -2.95 116.42 113.52 1aoq h ASP 426 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1aoq h ASP 426 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1aoq h ASP 426 CO -0.35 0.10 -1.26 0.59 -1.72 0.00 0.00 179.24 176.60 1aoq n ASN 427 N -3.36 0.74 -4.70 6.45 3.02 -0.68 -4.93 115.26 111.80 1aoq n ASN 427 Ca -0.01 -0.74 -0.42 0.00 -0.03 0.00 0.00 54.58 53.39 1aoq n ASN 427 Cb 0.28 1.25 -0.03 0.00 -0.61 0.00 0.00 39.78 40.68 1aoq n ASN 427 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aoq s ALA 428 N -3.13 3.83 -1.89 5.41 0.00 -0.81 -2.68 121.76 122.49 1aoq s ALA 428 Ca 0.04 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1aoq s ALA 428 Cb 0.15 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1aoq s ALA 428 CO 0.88 -1.12 0.00 0.91 0.00 0.00 0.00 175.76 176.43 1aoq n TRP 429 N 5.04 -0.71 -5.09 0.00 5.03 0.70 -4.89 117.44 117.52 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 0.37 -3.82 -0.15 0.00 -1.03 0.00 0.00 31.31 26.68 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 -4.68 1.96 -0.31 -0.99 1.02 -1.09 -4.87 119.74 110.78 1aoq s LYS 430 Ca 0.00 -1.02 -0.29 0.00 0.02 0.00 0.00 55.97 54.68 1aoq s LYS 430 Cb 0.00 -2.02 -0.01 0.00 -0.52 0.00 0.00 37.83 35.29 1aoq s LYS 430 CO 0.00 0.54 1.47 0.42 -0.92 0.00 0.00 175.35 176.85 1aoq s ILE 431 N -0.71 3.89 -0.15 2.17 -1.09 -1.26 -2.18 121.20 121.87 1aoq s ILE 431 Ca 0.11 0.97 0.18 0.00 -2.23 0.00 0.00 60.65 59.68 1aoq s ILE 431 Cb -0.10 -4.00 -0.11 0.00 -1.58 0.00 0.00 42.46 36.67 1aoq s ILE 431 CO 0.01 -0.50 0.86 0.18 -1.23 0.00 0.00 174.94 174.26 1aoq n LEU 432 N 8.44 0.84 -3.45 2.97 4.77 0.16 -5.00 117.00 125.73 1aoq n LEU 432 Ca 0.17 0.36 -0.11 0.00 -0.03 0.00 0.00 56.01 56.40 1aoq n LEU 432 Cb 0.47 0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1aoq n LEU 432 CO 0.66 0.07 0.51 -0.62 -1.33 0.00 0.00 177.39 176.68 1aoq s ASP 433 N -5.66 -0.50 -0.18 -1.43 -1.08 -1.25 -5.01 116.67 101.57 1aoq s ASP 433 Ca -0.02 0.04 -0.08 0.00 -0.52 0.00 0.00 52.55 51.96 1aoq s ASP 433 Cb 0.09 0.52 0.07 0.00 -1.46 0.00 0.00 42.92 42.14 1aoq s ASP 433 CO 0.81 -0.83 0.40 -0.55 0.52 0.00 0.00 175.17 175.53 1aoq s SER 434 N -2.57 -0.38 0.03 -0.34 0.15 -1.25 -1.97 113.70 107.36 1aoq s SER 434 Ca 0.02 0.91 -0.11 0.00 0.70 0.00 0.00 55.95 57.47 1aoq s SER 434 Cb -0.01 0.96 0.01 0.00 -1.71 0.00 0.00 66.02 65.27 1aoq s SER 434 CO -0.10 -0.21 0.23 0.72 1.20 0.00 0.00 173.24 175.08 1aoq s PHE 435 N 1.85 -0.02 0.43 3.44 -0.12 -0.60 -4.93 117.98 118.03 1aoq s PHE 435 Ca -0.06 -0.11 -0.22 0.00 -0.05 0.00 0.00 56.93 56.48 1aoq s PHE 435 Cb -0.10 0.01 -0.10 0.00 -0.63 0.00 0.00 43.02 42.21 1aoq s PHE 435 CO -0.13 -0.42 1.00 -1.25 -0.05 0.00 0.00 175.22 174.38 1aoq s PRO 436 N -2.18 4.10 0.00 1.99 0.04 -1.26 -0.05 135.00 137.64 1aoq s PRO 436 Ca -0.08 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1aoq s PRO 436 Cb -0.03 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1aoq s PRO 436 CO -0.02 -0.16 0.00 0.00 0.04 0.00 0.00 177.00 176.86 1aoq n ALA 437 N -0.50 0.00 -0.12 8.56 0.00 0.12 -4.89 120.51 123.68 1aoq n ALA 437 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 1aoq n ALA 437 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 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 0.47 0.00 0.00 3.38 -1.88 -3.48 115.31 113.79 1aoq h LEU 438 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1aoq h LEU 438 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1aoq h LEU 438 CO 0.00 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.60 1aoq n GLY 439 N -0.88 -1.57 3.70 0.83 0.00 -1.26 -5.04 105.19 100.97 1aoq n GLY 439 Ca -0.01 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 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 -4.04 107.32 103.58 1aoq s GLY 440 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.13 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 -1.49 0.69 3.77 0.20 0.00 0.18 -3.68 105.19 104.86 1aoq n GLY 441 Ca 0.08 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.22 6.81 0.00 1.61 0.15 -0.99 -0.28 113.70 118.78 1aoq s SER 442 Ca 0.00 2.25 0.00 0.00 0.70 0.00 0.00 55.95 58.90 1aoq s SER 442 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1aoq s SER 442 CO 0.00 -0.46 0.00 0.18 1.20 0.00 0.00 173.24 174.16 1aoq n LEU 443 N 0.38 1.45 -3.91 3.45 4.77 -1.26 -3.30 117.00 118.57 1aoq n LEU 443 Ca 0.03 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.85 1aoq n LEU 443 Cb 0.47 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.41 1aoq n LEU 443 CO 0.50 0.24 -0.39 -0.36 -1.33 0.00 0.00 177.39 176.05 1aoq s PHE 444 N -1.88 0.40 -0.00 -1.77 0.08 -1.26 -4.17 117.98 109.37 1aoq s PHE 444 Ca 0.00 -0.07 0.06 0.00 0.12 0.00 0.00 56.93 57.04 1aoq s PHE 444 Cb 0.00 -0.31 -0.03 0.00 -0.57 0.00 0.00 43.02 42.11 1aoq s PHE 444 CO 0.00 -0.05 -0.17 -1.50 -0.10 0.00 0.00 175.22 173.40 1aoq s ILE 445 N 0.20 2.81 -0.04 0.64 2.07 -1.26 -2.22 121.20 123.40 1aoq s ILE 445 Ca -0.02 -1.00 -0.15 0.00 -1.41 0.00 0.00 60.65 58.08 1aoq s ILE 445 Cb -0.05 -2.13 0.03 0.00 0.13 0.00 0.00 42.46 40.44 1aoq s ILE 445 CO -0.00 0.47 0.34 -0.75 -1.91 0.00 0.00 174.94 173.08 1aoq s LYS 446 N -1.06 0.63 0.38 3.50 2.47 0.63 -4.44 119.74 121.84 1aoq s LYS 446 Ca 0.13 -0.02 -0.12 0.00 -1.56 0.00 0.00 55.97 54.40 1aoq s LYS 446 Cb -0.10 0.28 0.05 0.00 -1.46 0.00 0.00 37.83 36.60 1aoq s LYS 446 CO 0.03 -0.16 0.71 -2.37 0.16 0.00 0.00 175.35 173.72 1aoq n THR 447 N 1.63 0.00 -3.64 3.43 5.66 -1.26 -0.70 114.28 119.40 1aoq n THR 447 Ca -0.20 -1.14 -0.16 0.00 -3.05 0.00 0.00 64.05 59.51 1aoq n THR 447 Cb 0.56 0.99 -0.07 0.00 -1.55 0.00 0.00 70.33 70.26 1aoq n THR 447 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 1aoq s HIS 448 N -2.46 -0.44 0.39 1.09 2.46 -1.26 -4.75 115.29 110.32 1aoq s HIS 448 Ca 0.18 0.76 0.17 0.00 0.47 0.00 0.00 55.06 56.65 1aoq s HIS 448 Cb -0.04 0.25 1.07 0.00 -0.13 0.00 0.00 32.58 33.73 1aoq s HIS 448 CO 0.14 -0.49 1.76 -1.35 -2.47 0.00 0.00 174.74 172.33 1aoq h PRO 449 N 3.56 0.41 -0.00 2.88 0.11 -1.93 -0.45 132.00 136.57 1aoq h PRO 449 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1aoq h PRO 449 Cb 1.16 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1aoq h PRO 449 CO 0.38 0.27 -0.07 0.09 -0.21 0.00 0.00 178.00 178.46 1aoq n ASN 450 N -4.67 0.31 -4.83 -2.05 3.02 -1.26 -4.87 115.26 100.92 1aoq n ASN 450 Ca 0.26 -0.47 -0.31 0.00 -0.03 0.00 0.00 54.58 54.02 1aoq n ASN 450 Cb 0.86 -0.13 -0.06 0.00 -0.61 0.00 0.00 39.78 39.84 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 -2.48 5.83 0.00 6.41 0.15 -0.18 -4.96 113.70 118.47 1aoq s SER 451 Ca 0.30 0.09 0.19 0.00 0.70 0.00 0.00 55.95 57.23 1aoq s SER 451 Cb 0.20 -1.66 0.48 0.00 -1.71 0.00 0.00 66.02 63.33 1aoq s SER 451 CO 0.47 0.17 1.39 0.00 1.20 0.00 0.00 173.24 176.47 1aoq n GLN 452 N 0.42 2.62 -4.38 5.44 10.64 -1.26 -4.67 117.38 126.18 1aoq n GLN 452 Ca -0.07 -2.34 -0.30 0.00 -1.83 0.00 0.00 57.00 52.46 1aoq n GLN 452 Cb 0.51 -1.45 -0.11 0.00 -0.86 0.00 0.00 30.24 28.33 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 -1.09 2.62 -0.25 2.61 2.02 -1.26 -0.33 117.35 121.67 1aoq s TYR 453 Ca 0.38 -0.22 -0.01 0.00 -0.37 0.00 0.00 57.07 56.85 1aoq s TYR 453 Cb 0.20 -1.41 0.03 0.00 -0.40 0.00 0.00 41.96 40.38 1aoq s TYR 453 CO 0.27 0.36 -0.07 -1.17 -1.57 0.00 0.00 175.55 173.37 1aoq s LEU 454 N -1.94 3.15 -0.14 -1.29 2.96 -0.13 -4.51 118.68 116.78 1aoq s LEU 454 Ca 0.18 -0.91 -0.09 0.00 -0.22 0.00 0.00 54.13 53.09 1aoq s LEU 454 Cb -0.11 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 1aoq s LEU 454 CO 0.10 -0.13 0.18 -0.31 -1.32 0.00 0.00 176.35 174.87 1aoq s TYR 455 N 1.30 3.53 -0.06 5.38 1.51 0.13 -0.70 117.35 128.44 1aoq s TYR 455 Ca -0.00 0.51 -0.01 0.00 -1.01 0.00 0.00 57.07 56.55 1aoq s TYR 455 Cb -0.17 -2.09 0.03 0.00 -0.11 0.00 0.00 41.96 39.62 1aoq s TYR 455 CO -0.05 0.53 0.02 0.08 -1.11 0.00 0.00 175.55 175.01 1aoq s VAL 456 N -0.40 0.21 0.82 0.71 1.01 0.35 -0.27 120.40 122.83 1aoq s VAL 456 Ca 0.14 0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.27 1aoq s VAL 456 Cb -0.12 -0.39 0.17 0.00 0.00 0.00 0.00 36.38 36.04 1aoq s VAL 456 CO 0.03 0.22 1.12 -0.90 0.00 0.00 0.00 175.10 175.57 1aoq n ASP 457 N 5.06 0.96 -2.72 3.32 5.68 -0.94 -0.86 116.55 127.05 1aoq n ASP 457 Ca -0.08 -1.94 -0.05 0.00 -0.50 0.00 0.00 54.79 52.22 1aoq n ASP 457 Cb 0.50 -0.77 0.08 0.00 -1.14 0.00 0.00 41.12 39.79 1aoq n ASP 457 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1aoq n ALA 458 N -3.21 2.56 -0.31 2.12 0.00 -1.26 -4.30 120.51 116.11 1aoq n ALA 458 Ca -0.18 -2.11 0.07 0.00 0.00 0.00 0.00 53.44 51.22 1aoq n ALA 458 Cb 0.59 -0.91 0.17 0.00 0.00 0.00 0.00 19.45 19.30 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 3.68 0.13 -0.24 0.00 2.02 -1.57 -1.44 112.91 115.48 1aoq h THR 459 Ca -0.23 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1aoq h THR 459 Cb 1.26 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1aoq h THR 459 CO 0.12 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.20 1aoq n LEU 460 N -5.51 1.75 -4.76 2.58 4.77 0.62 -4.78 117.00 111.66 1aoq n LEU 460 Ca 0.16 -0.79 -0.41 0.00 -0.03 0.00 0.00 56.01 54.94 1aoq n LEU 460 Cb 0.53 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1aoq n LEU 460 CO -0.05 0.40 1.14 0.21 -1.33 0.00 0.00 177.39 177.76 1aoq s ASN 461 N -1.35 6.46 0.56 -1.43 3.84 -0.54 -4.74 114.94 117.75 1aoq s ASN 461 Ca 0.29 2.91 0.34 0.00 0.21 0.00 0.00 52.86 56.61 1aoq s ASN 461 Cb 0.15 -2.65 1.52 0.00 -0.55 0.00 0.00 41.25 39.73 1aoq s ASN 461 CO 0.22 -0.81 2.05 1.55 -2.79 0.00 0.00 177.10 177.32 1aoq h PRO 462 N 3.94 0.00 -5.69 0.43 0.13 -1.90 -3.41 132.00 125.50 1aoq h PRO 462 Ca -0.49 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.03 1aoq h PRO 462 Cb 1.23 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 1aoq h PRO 462 CO 0.71 0.03 0.32 -2.00 -0.23 0.00 0.00 178.00 176.83 1aoq s GLU 463 N -3.78 3.91 0.26 0.86 2.12 -1.26 -4.95 118.70 115.85 1aoq s GLU 463 Ca -0.00 0.45 -0.02 0.00 0.36 0.00 0.00 54.97 55.76 1aoq s GLU 463 Cb 0.10 -3.74 0.54 0.00 0.26 0.00 0.00 34.13 31.29 1aoq s GLU 463 CO 0.53 -0.68 1.69 0.00 -0.54 0.00 0.00 175.26 176.26 1aoq h ALA 464 N 8.20 1.10 -0.70 6.30 0.00 -1.96 0.26 119.26 132.45 1aoq h ALA 464 Ca -0.25 0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1aoq h ALA 464 Cb 1.10 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1aoq h ALA 464 CO 0.86 -0.33 0.39 1.49 0.00 0.00 0.00 179.25 181.66 1aoq h GLU 465 N 0.32 0.67 -0.04 0.00 4.57 -1.96 -1.37 114.58 116.77 1aoq h GLU 465 Ca 0.46 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.51 1aoq h GLU 465 Cb 0.81 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1aoq h GLU 465 CO -0.52 0.44 -0.34 0.82 -1.18 0.00 0.00 179.01 178.24 1aoq h ILE 466 N 0.69 1.46 0.00 2.32 2.04 -1.39 -3.21 117.51 119.42 1aoq h ILE 466 Ca 0.32 -1.83 -0.00 0.00 1.00 0.00 0.00 64.86 64.35 1aoq h ILE 466 Cb 0.24 2.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1aoq h ILE 466 CO -0.21 0.52 -0.02 0.77 0.00 0.00 0.00 178.15 179.21 1aoq h SER 467 N -0.25 0.00 -0.45 1.72 4.64 -0.99 -1.70 113.55 116.52 1aoq h SER 467 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1aoq h SER 467 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1aoq h SER 467 CO 0.07 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 1aoq n GLY 468 N -0.68 1.46 3.56 -0.77 0.00 -0.53 -1.10 105.19 107.12 1aoq n GLY 468 Ca -0.02 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.25 3.23 -0.00 1.61 0.01 -0.64 -0.88 113.70 115.77 1aoq s SER 469 Ca 0.38 -1.42 0.01 0.00 1.31 0.00 0.00 55.95 56.23 1aoq s SER 469 Cb 0.20 -0.13 -0.00 0.00 0.21 0.00 0.00 66.02 66.30 1aoq s SER 469 CO 0.28 -0.58 -0.04 -0.69 0.41 0.00 0.00 173.24 172.61 1aoq s VAL 470 N -2.99 0.34 -0.01 3.43 1.01 -0.63 -4.09 120.40 117.45 1aoq s VAL 470 Ca 0.32 -0.18 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 1aoq s VAL 470 Cb 0.08 -0.29 -0.06 0.00 0.00 0.00 0.00 36.38 36.11 1aoq s VAL 470 CO 0.15 0.10 0.41 0.00 0.00 0.00 0.00 175.10 175.76 1aoq s ALA 471 N -0.06 3.69 -0.11 5.51 0.00 -0.04 -0.57 121.76 130.18 1aoq s ALA 471 Ca 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 1aoq s ALA 471 Cb -0.02 -2.39 0.03 0.00 0.00 0.00 0.00 23.12 20.74 1aoq s ALA 471 CO -0.00 0.46 -0.04 0.08 0.00 0.00 0.00 175.76 176.25 1aoq s VAL 472 N -0.98 0.81 -0.05 0.00 1.01 0.19 -0.49 120.40 120.89 1aoq s VAL 472 Ca 0.24 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 1aoq s VAL 472 Cb -0.17 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1aoq s VAL 472 CO 0.13 0.27 0.16 -0.36 0.00 0.00 0.00 175.10 175.31 1aoq s PHE 473 N 1.79 3.56 -0.53 5.22 0.40 0.12 -1.01 117.98 127.53 1aoq s PHE 473 Ca 0.04 0.41 -0.20 0.00 -0.60 0.00 0.00 56.93 56.58 1aoq s PHE 473 Cb -0.13 -1.86 0.06 0.00 0.51 0.00 0.00 43.02 41.59 1aoq s PHE 473 CO -0.07 0.67 0.72 0.34 0.70 0.00 0.00 175.22 177.59 1aoq s ASP 474 N -1.62 6.24 0.26 1.36 -1.08 -1.26 -0.96 116.67 119.62 1aoq s ASP 474 Ca 0.23 -0.83 -0.03 0.00 -0.52 0.00 0.00 52.55 51.40 1aoq s ASP 474 Cb -0.12 -2.33 0.39 0.00 -1.46 0.00 0.00 42.92 39.40 1aoq s ASP 474 CO 0.13 -1.02 1.88 0.40 0.52 0.00 0.00 175.17 177.09 1aoq h ILE 475 N 5.91 1.09 -0.44 4.11 2.04 -1.03 -2.25 117.51 126.94 1aoq h ILE 475 Ca -0.27 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.23 1aoq h ILE 475 Cb 1.09 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1aoq h ILE 475 CO 1.02 0.21 0.29 0.11 0.00 0.00 0.00 178.15 179.78 1aoq h LYS 476 N 1.16 0.44 -0.00 2.37 1.57 -1.92 -1.35 116.57 118.84 1aoq h LYS 476 Ca 0.43 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1aoq h LYS 476 Cb 0.16 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1aoq h LYS 476 CO -0.17 0.29 -0.12 0.00 -0.57 0.00 0.00 179.45 178.88 1aoq n ALA 477 N -2.50 2.74 -2.13 3.86 0.00 -0.85 -4.88 120.51 116.75 1aoq n ALA 477 Ca 0.05 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 1aoq n ALA 477 Cb 0.17 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 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 -2.66 4.28 -0.08 0.00 -1.94 -0.51 -4.89 119.30 113.50 1aoq s MET 478 Ca 0.24 2.09 0.13 0.00 -1.71 0.00 0.00 55.69 56.44 1aoq s MET 478 Cb 0.20 -3.43 -0.19 0.00 2.01 0.00 0.00 34.83 33.41 1aoq s MET 478 CO 0.51 -0.55 0.17 0.25 -0.01 0.00 0.00 175.02 175.39 1aoq n THR 479 N 4.37 0.48 -1.55 2.05 -2.24 -1.26 -4.43 114.28 111.70 1aoq n THR 479 Ca 0.13 -0.45 -0.08 0.00 -2.27 0.00 0.00 64.05 61.38 1aoq n THR 479 Cb 0.42 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.37 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 1.96 0.70 0.00 3.38 0.00 -1.26 -4.66 105.19 105.31 1aoq n GLY 480 Ca -0.13 -0.62 0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 0.56 0.00 0.00 1.61 5.68 -1.26 -4.88 116.55 118.25 1aoq n ASP 481 Ca -0.09 -1.13 0.00 0.00 -0.50 0.00 0.00 54.79 53.07 1aoq n ASP 481 Cb 0.38 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 1aoq n ASP 481 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1aoq n GLY 482 N 0.90 1.49 3.91 6.12 0.00 -1.26 -5.07 105.19 111.28 1aoq n GLY 482 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.59 5.05 -0.34 1.61 1.04 -1.26 -5.02 113.70 113.19 1aoq s SER 483 Ca 0.00 0.77 -0.23 0.00 0.48 0.00 0.00 55.95 56.97 1aoq s SER 483 Cb 0.00 -1.49 0.00 0.00 0.10 0.00 0.00 66.02 64.64 1aoq s SER 483 CO 0.00 -1.51 0.77 -1.81 0.98 0.00 0.00 173.24 171.68 1aoq s ASP 484 N -4.45 6.59 0.41 7.02 1.01 -1.26 -4.95 116.67 121.04 1aoq s ASP 484 Ca 0.59 0.48 -0.26 0.00 0.71 0.00 0.00 52.55 54.06 1aoq s ASP 484 Cb -0.11 -2.40 -0.09 0.00 1.01 0.00 0.00 42.92 41.34 1aoq s ASP 484 CO 0.48 -0.67 1.40 -2.16 0.21 0.00 0.00 175.17 174.42 1aoq s PRO 485 N 3.01 3.91 0.65 8.23 0.04 -1.26 -4.97 135.00 144.60 1aoq s PRO 485 Ca 0.31 2.36 -0.13 0.00 0.04 0.00 0.00 61.00 63.58 1aoq s PRO 485 Cb -0.14 -2.79 -0.01 0.00 0.04 0.00 0.00 34.50 31.60 1aoq s PRO 485 CO 0.15 -0.61 1.06 -1.21 0.04 0.00 0.00 177.00 176.42 1aoq s GLU 486 N -2.26 3.12 0.02 4.56 2.02 -1.26 -4.95 118.70 119.96 1aoq s GLU 486 Ca 0.57 1.08 0.00 0.00 0.02 0.00 0.00 54.97 56.64 1aoq s GLU 486 Cb -0.42 -2.01 -0.02 0.00 0.10 0.00 0.00 34.13 31.78 1aoq s GLU 486 CO 0.55 -0.96 -0.03 -0.59 0.02 0.00 0.00 175.26 174.25 1aoq s PHE 487 N -2.76 0.30 -0.01 1.61 -0.12 -1.26 -4.46 117.98 111.29 1aoq s PHE 487 Ca 0.61 -0.50 -0.13 0.00 -0.05 0.00 0.00 56.93 56.86 1aoq s PHE 487 Cb -0.15 -0.21 -0.05 0.00 -0.63 0.00 0.00 43.02 41.98 1aoq s PHE 487 CO 0.46 -0.17 0.37 0.21 -0.05 0.00 0.00 175.22 176.04 1aoq s LYS 488 N -1.40 3.83 -0.28 1.99 2.20 -0.18 -4.85 119.74 121.05 1aoq s LYS 488 Ca -0.14 0.31 -0.09 0.00 -0.36 0.00 0.00 55.97 55.68 1aoq s LYS 488 Cb -0.09 -3.19 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 1aoq s LYS 488 CO -0.01 0.69 0.14 0.99 -0.36 0.00 0.00 175.35 176.80 1aoq s THR 489 N -1.11 4.73 -0.25 3.43 2.01 -1.26 -0.64 115.64 122.54 1aoq s THR 489 Ca 0.24 -0.17 -0.16 0.00 0.31 0.00 0.00 61.69 61.92 1aoq s THR 489 Cb -0.16 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1aoq s THR 489 CO 0.13 0.20 0.40 -0.76 -0.69 0.00 0.00 174.62 173.90 1aoq s LEU 490 N 1.66 4.06 -1.45 4.42 1.43 0.26 -4.93 118.68 124.14 1aoq s LEU 490 Ca 0.06 0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 53.41 1aoq s LEU 490 Cb -0.16 -2.48 0.05 0.00 0.03 0.00 0.00 46.19 43.63 1aoq s LEU 490 CO 0.07 -0.18 2.28 -0.81 0.23 0.00 0.00 176.35 177.94 1aoq n PRO 491 N 5.18 3.19 -0.10 1.29 -0.04 -1.26 -1.60 135.00 141.66 1aoq n PRO 491 Ca -0.08 -2.75 -0.07 0.00 -0.04 0.00 0.00 63.50 60.56 1aoq n PRO 491 Cb 0.51 -3.12 -0.01 0.00 -0.04 0.00 0.00 33.50 30.84 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 3.75 0.32 -0.83 0.52 1.08 -1.88 -0.25 117.51 120.21 1aoq h ILE 492 Ca 0.59 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 65.07 1aoq h ILE 492 Cb 0.57 0.32 -0.04 0.00 -3.07 0.00 0.00 36.82 34.60 1aoq h ILE 492 CO 1.81 0.00 0.55 0.00 -0.69 0.00 0.00 178.15 179.82 1aoq h ALA 493 N 0.88 1.07 -0.68 1.87 0.00 -1.32 -1.86 119.26 119.21 1aoq h ALA 493 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1aoq h ALA 493 Cb 0.49 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1aoq h ALA 493 CO -0.48 0.44 0.40 1.49 0.00 0.00 0.00 179.25 181.11 1aoq h GLU 494 N 1.11 0.92 -0.18 0.00 4.81 -1.60 -1.66 114.58 117.98 1aoq h GLU 494 Ca 0.31 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1aoq h GLU 494 Cb -0.10 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.08 1aoq h GLU 494 CO -0.08 0.66 0.08 -1.49 -0.73 0.00 0.00 179.01 177.46 1aoq h TRP 495 N 0.92 0.23 0.00 0.92 6.55 -0.35 -1.10 115.95 123.12 1aoq h TRP 495 Ca 0.24 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.08 1aoq h TRP 495 Cb -0.02 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 28.20 1aoq h TRP 495 CO -0.01 0.17 0.00 0.00 -1.05 0.00 0.00 178.44 177.55 1aoq h ALA 496 N 1.85 1.00 -5.57 1.49 0.00 -0.54 -3.48 119.26 114.01 1aoq h ALA 496 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.69 1aoq h ALA 496 Cb 0.03 0.00 0.18 0.00 0.00 0.00 0.00 17.79 18.00 1aoq h ALA 496 CO -0.01 0.00 -0.85 0.41 0.00 0.00 0.00 179.25 178.80 1aoq n GLY 497 N 0.41 -1.00 3.39 0.00 0.00 -0.42 -5.00 105.19 102.57 1aoq n GLY 497 Ca 0.02 0.49 -0.35 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.40 3.73 -0.06 -0.61 1.01 -1.26 -5.04 121.20 115.58 1aoq s ILE 498 Ca 0.38 -0.38 -0.13 0.00 0.00 0.00 0.00 60.65 60.51 1aoq s ILE 498 Cb -0.06 -2.69 -0.08 0.00 0.01 0.00 0.00 42.46 39.64 1aoq s ILE 498 CO 0.75 0.42 0.53 0.74 0.00 0.00 0.00 174.94 177.38 1aoq h THR 499 N 5.51 0.19 -4.21 2.92 2.02 -1.94 -3.47 112.91 113.92 1aoq h THR 499 Ca -0.37 -0.83 -0.48 0.00 0.77 0.00 0.00 66.41 65.50 1aoq h THR 499 Cb 1.17 0.33 0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1aoq h THR 499 CO 0.60 0.05 0.38 -1.83 0.37 0.00 0.00 175.52 175.09 1aoq s GLU 500 N -2.90 3.77 1.71 6.66 1.03 -1.26 -4.94 118.70 122.77 1aoq s GLU 500 Ca -0.07 0.98 0.00 0.00 0.03 0.00 0.00 54.97 55.91 1aoq s GLU 500 Cb 0.00 -2.11 0.00 0.00 -0.80 0.00 0.00 34.13 31.23 1aoq s GLU 500 CO 0.24 -0.42 0.00 0.41 -1.33 0.00 0.00 175.26 174.15 1aoq n GLY 501 N -1.58 -1.26 2.50 -3.83 0.00 -1.26 -4.56 105.19 95.20 1aoq n GLY 501 Ca 0.07 -1.12 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 1aoq n GLY 501 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1aoq n GLN 502 N -1.44 1.57 -1.70 1.61 3.00 -1.26 -5.11 117.38 114.05 1aoq n GLN 502 Ca 0.00 -4.08 -0.40 0.00 -0.01 0.00 0.00 57.00 52.52 1aoq n GLN 502 Cb 0.00 -1.96 0.03 0.00 0.00 0.00 0.00 30.24 28.31 1aoq n GLN 502 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1aoq n PRO 503 N 1.60 1.70 -4.24 -1.09 -0.04 -1.26 -4.98 135.00 126.69 1aoq n PRO 503 Ca 0.25 0.61 -0.34 0.00 -0.04 0.00 0.00 63.50 63.99 1aoq n PRO 503 Cb 0.43 -2.41 -0.11 0.00 -0.04 0.00 0.00 33.50 31.38 1aoq n PRO 503 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1aoq s ARG 504 N -2.49 3.72 0.03 0.54 0.52 -0.13 -4.33 118.95 116.80 1aoq s ARG 504 Ca 0.66 -0.43 -0.25 0.00 -0.52 0.00 0.00 55.73 55.19 1aoq s ARG 504 Cb -0.47 -3.02 -0.05 0.00 0.52 0.00 0.00 34.95 31.93 1aoq s ARG 504 CO 0.54 0.31 0.79 0.08 0.02 0.00 0.00 175.30 177.04 1aoq s VAL 505 N 0.21 4.78 -0.10 3.52 1.01 -0.26 -0.40 120.40 129.15 1aoq s VAL 505 Ca 0.01 1.66 -0.10 0.00 0.00 0.00 0.00 61.98 63.55 1aoq s VAL 505 Cb -0.13 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.14 1aoq s VAL 505 CO 0.02 0.33 0.29 0.54 0.00 0.00 0.00 175.10 176.27 1aoq s VAL 506 N 0.17 0.01 -0.09 2.92 0.11 -0.28 -3.84 120.40 119.40 1aoq s VAL 506 Ca 0.40 -0.06 -0.07 0.00 -2.93 0.00 0.00 61.98 59.33 1aoq s VAL 506 Cb -0.20 -0.43 0.03 0.00 -1.53 0.00 0.00 36.38 34.24 1aoq s VAL 506 CO 0.23 -0.03 0.13 1.67 -3.33 0.00 0.00 175.10 173.77 1aoq n GLN 507 N 2.75 -4.16 -2.78 1.54 7.27 -1.26 -1.78 117.38 118.96 1aoq n GLN 507 Ca -0.14 3.11 -0.37 0.00 0.07 0.00 0.00 57.00 59.67 1aoq n GLN 507 Cb 0.58 -4.21 -0.06 0.00 2.41 0.00 0.00 30.24 28.96 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 -0.53 2.81 -0.12 1.69 0.00 -1.26 -4.29 107.32 105.63 1aoq s GLY 508 Ca -0.15 0.53 -0.05 0.00 0.00 0.00 0.00 44.72 45.04 1aoq s GLY 508 CO 0.41 0.97 0.27 1.85 0.00 0.00 0.00 173.10 176.60 1aoq s GLU 509 N -2.03 0.20 0.43 2.90 2.56 -0.58 -4.90 118.70 117.29 1aoq s GLU 509 Ca 0.50 0.63 -0.08 0.00 0.00 0.00 0.00 54.97 56.02 1aoq s GLU 509 Cb -0.19 -0.08 -0.05 0.00 2.00 0.00 0.00 34.13 35.81 1aoq s GLU 509 CO 0.24 -0.21 0.77 -0.06 -0.56 0.00 0.00 175.26 175.45 1aoq s PHE 510 N 1.68 3.51 0.96 5.30 0.40 -1.26 -0.16 117.98 128.41 1aoq s PHE 510 Ca -0.06 0.94 -0.15 0.00 -0.60 0.00 0.00 56.93 57.06 1aoq s PHE 510 Cb -0.11 -2.38 0.18 0.00 0.51 0.00 0.00 43.02 41.23 1aoq s PHE 510 CO -0.09 -0.17 1.27 0.54 0.70 0.00 0.00 175.22 177.47 1aoq s ASN 511 N -3.53 3.16 0.26 1.36 4.22 -0.71 -4.61 114.94 115.09 1aoq s ASN 511 Ca 0.49 0.43 -0.03 0.00 -2.14 0.00 0.00 52.86 51.61 1aoq s ASN 511 Cb -0.10 -0.60 0.38 0.00 1.28 0.00 0.00 41.25 42.21 1aoq s ASN 511 CO 0.37 -2.72 1.88 0.50 -2.04 0.00 0.00 177.10 175.09 1aoq h LYS 512 N -1.63 1.11 0.00 3.55 3.64 -1.87 -1.91 116.57 119.46 1aoq h LYS 512 Ca -0.45 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1aoq h LYS 512 Cb 1.26 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1aoq h LYS 512 CO 0.44 0.73 0.00 -0.25 -2.27 0.00 0.00 179.45 178.10 1aoq n ASP 513 N -4.52 0.31 -1.72 4.20 8.00 -1.26 -4.91 116.55 116.65 1aoq n ASP 513 Ca 0.15 0.55 -0.13 0.00 0.71 0.00 0.00 54.79 56.06 1aoq n ASP 513 Cb 0.17 -0.62 0.01 0.00 -0.02 0.00 0.00 41.12 40.66 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 0.84 -0.12 0.00 0.44 0.00 -0.72 -4.83 105.19 100.82 1aoq n GLY 514 Ca 0.05 -0.28 0.06 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.02 0.00 -4.07 2.61 -2.24 -1.26 -4.28 114.28 101.02 1aoq n THR 515 Ca -0.11 -0.26 -0.14 0.00 -2.27 0.00 0.00 64.05 61.27 1aoq n THR 515 Cb 0.60 0.51 -0.13 0.00 -2.10 0.00 0.00 70.33 69.20 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 -2.58 0.38 -0.08 -0.78 2.02 -1.26 -1.36 118.70 115.04 1aoq s GLU 516 Ca -0.01 -0.37 0.04 0.00 0.02 0.00 0.00 54.97 54.64 1aoq s GLU 516 Cb 0.08 -0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.06 1aoq s GLU 516 CO 0.50 0.06 -0.19 0.54 0.02 0.00 0.00 175.26 176.19 1aoq s VAL 517 N -0.62 1.67 0.05 2.63 0.11 -0.53 -1.73 120.40 121.98 1aoq s VAL 517 Ca -0.04 -0.80 0.01 0.00 -2.93 0.00 0.00 61.98 58.21 1aoq s VAL 517 Cb -0.05 -1.46 -0.04 0.00 -1.53 0.00 0.00 36.38 33.30 1aoq s VAL 517 CO -0.00 0.47 0.15 0.26 -3.33 0.00 0.00 175.10 172.65 1aoq s TRP 518 N 0.39 3.39 0.03 1.54 0.52 0.78 -0.38 118.94 125.21 1aoq s TRP 518 Ca -0.15 0.20 0.02 0.00 0.02 0.00 0.00 56.10 56.19 1aoq s TRP 518 Cb -0.16 -1.72 -0.02 0.00 -1.15 0.00 0.00 33.47 30.42 1aoq s TRP 518 CO 0.06 0.57 -0.06 -0.06 0.02 0.00 0.00 176.95 177.48 1aoq s PHE 519 N -1.40 0.54 -0.09 -1.98 0.08 -0.14 -1.53 117.98 113.47 1aoq s PHE 519 Ca 0.30 -0.37 -0.13 0.00 0.12 0.00 0.00 56.93 56.86 1aoq s PHE 519 Cb -0.13 -0.33 -0.05 0.00 -0.57 0.00 0.00 43.02 41.94 1aoq s PHE 519 CO 0.23 -0.07 0.32 -1.12 -0.10 0.00 0.00 175.22 174.48 1aoq s SER 520 N -1.10 6.59 -0.67 1.36 0.01 -0.74 -0.72 113.70 118.43 1aoq s SER 520 Ca -0.07 0.70 -0.05 0.00 1.31 0.00 0.00 55.95 57.84 1aoq s SER 520 Cb -0.07 -2.19 0.17 0.00 0.21 0.00 0.00 66.02 64.14 1aoq s SER 520 CO 0.00 0.25 0.52 -0.69 0.41 0.00 0.00 173.24 173.73 1aoq s VAL 521 N -0.45 4.16 -0.48 3.43 1.01 0.80 -1.12 120.40 127.75 1aoq s VAL 521 Ca 0.20 -2.84 -0.26 0.00 0.00 0.00 0.00 61.98 59.08 1aoq s VAL 521 Cb -0.14 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.60 1aoq s VAL 521 CO 0.08 -0.91 0.97 0.86 0.00 0.00 0.00 175.10 176.09 1aoq s TRP 522 N -0.01 2.88 0.47 5.22 -0.00 0.46 -2.05 118.94 125.91 1aoq s TRP 522 Ca 0.17 0.38 0.05 0.00 -0.00 0.00 0.00 56.10 56.70 1aoq s TRP 522 Cb -0.18 -4.07 -0.03 0.00 -0.00 0.00 0.00 33.47 29.19 1aoq s TRP 522 CO -0.05 -1.17 0.08 1.21 -0.00 0.00 0.00 176.95 177.02 1aoq s ASN 523 N 2.38 4.17 1.01 5.86 3.84 -1.26 -0.96 114.94 129.98 1aoq s ASN 523 Ca 0.38 -1.42 -0.11 0.00 0.21 0.00 0.00 52.86 51.92 1aoq s ASN 523 Cb -0.10 0.05 0.20 0.00 -0.55 0.00 0.00 41.25 40.85 1aoq s ASN 523 CO 0.26 -0.70 1.09 -0.83 -2.79 0.00 0.00 177.10 174.13 1aoq s GLY 524 N -3.88 1.62 0.31 1.21 0.00 -1.26 -4.43 107.32 100.88 1aoq s GLY 524 Ca 0.24 0.19 0.01 0.00 0.00 0.00 0.00 44.72 45.16 1aoq s GLY 524 CO 0.13 0.74 1.91 1.70 0.00 0.00 0.00 173.10 177.58 1aoq h LYS 525 N -2.13 0.98 -0.62 2.90 3.64 -1.98 -1.07 116.57 118.30 1aoq h LYS 525 Ca -0.52 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 1aoq h LYS 525 Cb 1.30 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1aoq h LYS 525 CO 0.47 0.65 0.00 -0.25 -2.27 0.00 0.00 179.45 178.05 1aoq n ASP 526 N -4.49 5.28 -4.54 4.20 8.00 -1.26 -4.84 116.55 118.89 1aoq n ASP 526 Ca 0.14 -2.81 -0.27 0.00 0.71 0.00 0.00 54.79 52.56 1aoq n ASP 526 Cb 0.21 -0.66 -0.10 0.00 -0.02 0.00 0.00 41.12 40.55 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 -2.53 1.92 -0.03 -1.24 -0.21 -0.41 -5.13 119.66 112.03 1aoq s GLN 527 Ca 0.50 -2.12 -0.24 0.00 0.02 0.00 0.00 55.36 53.52 1aoq s GLN 527 Cb 0.38 -1.28 -0.04 0.00 1.00 0.00 0.00 33.01 33.06 1aoq s GLN 527 CO 0.16 -0.20 0.72 -2.00 -2.12 0.00 0.00 175.29 171.84 1aoq s GLU 528 N -3.80 4.44 0.46 2.91 2.12 -1.26 -4.71 118.70 118.86 1aoq s GLU 528 Ca 0.28 0.93 0.03 0.00 0.36 0.00 0.00 54.97 56.57 1aoq s GLU 528 Cb 0.07 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 1aoq s GLU 528 CO 0.14 0.15 0.04 -1.12 -0.54 0.00 0.00 175.26 173.93 1aoq s SER 529 N 0.49 3.60 0.11 -1.70 0.01 -1.26 -4.55 113.70 110.40 1aoq s SER 529 Ca 0.38 -1.61 -0.26 0.00 1.31 0.00 0.00 55.95 55.76 1aoq s SER 529 Cb -0.19 0.38 0.07 0.00 0.21 0.00 0.00 66.02 66.50 1aoq s SER 529 CO 0.20 -0.82 0.95 0.00 0.41 0.00 0.00 173.24 173.98 1aoq s ALA 530 N -2.98 -1.71 -0.04 1.44 0.00 -0.87 -4.79 121.76 112.80 1aoq s ALA 530 Ca 0.16 0.34 0.07 0.00 0.00 0.00 0.00 51.96 52.53 1aoq s ALA 530 Cb 0.03 0.58 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 1aoq s ALA 530 CO 0.09 -0.96 -0.24 -0.51 0.00 0.00 0.00 175.76 174.13 1aoq s LEU 531 N -2.84 2.13 -0.16 0.00 1.43 -0.55 -0.14 118.68 118.56 1aoq s LEU 531 Ca 0.11 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1aoq s LEU 531 Cb -0.01 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.83 1aoq s LEU 531 CO -0.00 0.28 -0.17 -0.69 0.23 0.00 0.00 176.35 176.00 1aoq s VAL 532 N -0.38 2.48 -0.23 -1.59 1.01 0.10 -0.23 120.40 121.56 1aoq s VAL 532 Ca 0.03 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 1aoq s VAL 532 Cb -0.12 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 1aoq s VAL 532 CO 0.02 0.52 0.14 -0.69 0.00 0.00 0.00 175.10 175.09 1aoq s VAL 533 N 0.89 5.26 -0.11 2.92 1.01 0.54 -0.96 120.40 129.93 1aoq s VAL 533 Ca -0.04 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 1aoq s VAL 533 Cb -0.15 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1aoq s VAL 533 CO -0.02 0.37 -0.06 -0.69 0.00 0.00 0.00 175.10 174.71 1aoq s VAL 534 N 0.89 3.77 -0.35 2.92 1.01 0.49 -0.64 120.40 128.48 1aoq s VAL 534 Ca 0.07 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 1aoq s VAL 534 Cb -0.13 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.66 1aoq s VAL 534 CO 0.03 0.54 1.36 -0.62 0.00 0.00 0.00 175.10 176.42 1aoq s ASP 535 N -0.17 6.50 0.23 3.32 -1.08 -0.23 -1.45 116.67 123.80 1aoq s ASP 535 Ca 0.03 1.03 -0.07 0.00 -0.52 0.00 0.00 52.55 53.02 1aoq s ASP 535 Cb -0.13 -2.54 0.22 0.00 -1.46 0.00 0.00 42.92 39.01 1aoq s ASP 535 CO 0.03 -1.26 1.86 -0.78 0.52 0.00 0.00 175.17 175.54 1aoq h ASP 536 N 10.02 1.14 -0.79 -0.34 3.58 -1.53 0.28 116.42 128.78 1aoq h ASP 536 Ca -0.27 -0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.04 1aoq h ASP 536 Cb 1.10 -0.29 -0.03 0.00 1.72 0.00 0.00 39.33 41.83 1aoq h ASP 536 CO 1.06 0.90 0.31 0.11 -2.88 0.00 0.00 179.24 178.74 1aoq h LYS 537 N 1.28 1.19 0.00 0.28 1.79 -1.91 -3.30 116.57 115.89 1aoq h LYS 537 Ca 0.32 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1aoq h LYS 537 Cb 0.01 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.47 1aoq h LYS 537 CO -0.05 0.97 -1.60 0.25 -1.08 0.00 0.00 179.45 177.94 1aoq n THR 538 N -4.27 0.00 -2.16 -0.16 -2.24 -1.16 -4.99 114.28 99.30 1aoq n THR 538 Ca 0.07 -0.34 -0.15 0.00 -2.27 0.00 0.00 64.05 61.36 1aoq n THR 538 Cb 0.19 0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 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 -1.96 -1.59 -4.74 3.22 4.77 0.99 -5.01 117.00 112.67 1aoq n LEU 539 Ca -0.02 0.04 -0.24 0.00 -0.03 0.00 0.00 56.01 55.77 1aoq n LEU 539 Cb 0.43 -2.23 -0.06 0.00 -2.33 0.00 0.00 43.42 39.23 1aoq n LEU 539 CO 0.38 -0.25 -0.25 -1.61 -1.33 0.00 0.00 177.39 174.33 1aoq s GLU 540 N -4.52 2.67 0.17 3.23 2.02 -1.22 -4.91 118.70 116.13 1aoq s GLU 540 Ca 0.00 -1.12 -0.32 0.00 0.02 0.00 0.00 54.97 53.56 1aoq s GLU 540 Cb 0.00 -2.44 -0.11 0.00 0.10 0.00 0.00 34.13 31.68 1aoq s GLU 540 CO 0.00 0.42 1.64 -1.17 0.02 0.00 0.00 175.26 176.17 1aoq s LEU 541 N -3.49 4.37 -0.21 1.80 2.96 -1.26 -1.06 118.68 121.79 1aoq s LEU 541 Ca 0.31 2.71 -0.04 0.00 -0.22 0.00 0.00 54.13 56.89 1aoq s LEU 541 Cb -0.08 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 42.90 1aoq s LEU 541 CO 0.22 -0.89 -0.22 1.17 -1.32 0.00 0.00 176.35 175.31 1aoq n LYS 542 N 4.12 0.48 -3.54 1.98 3.00 0.18 -4.77 118.16 119.62 1aoq n LYS 542 Ca 0.15 0.16 -0.15 0.00 -0.00 0.00 0.00 58.31 58.47 1aoq n LYS 542 Cb 0.37 -1.34 -0.06 0.00 0.00 0.00 0.00 35.03 34.00 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 -2.40 -0.53 -0.17 5.64 2.46 -0.91 -4.99 115.29 114.38 1aoq s HIS 543 Ca -0.29 0.90 0.01 0.00 0.47 0.00 0.00 55.06 56.15 1aoq s HIS 543 Cb 0.09 0.43 0.01 0.00 -0.13 0.00 0.00 32.58 32.98 1aoq s HIS 543 CO 0.43 -0.50 -0.18 0.08 -2.47 0.00 0.00 174.74 172.10 1aoq s VAL 544 N -1.20 2.32 -0.31 0.89 1.01 -1.26 -0.34 120.40 121.50 1aoq s VAL 544 Ca -0.07 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 1aoq s VAL 544 Cb -0.00 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1aoq s VAL 544 CO 0.06 0.52 0.21 -0.63 0.00 0.00 0.00 175.10 175.27 1aoq s ILE 545 N 1.14 5.26 -0.01 2.22 1.01 0.68 -4.96 121.20 126.54 1aoq s ILE 545 Ca 0.01 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.62 1aoq s ILE 545 Cb -0.14 -3.61 -0.00 0.00 0.01 0.00 0.00 42.46 38.72 1aoq s ILE 545 CO -0.07 0.12 -0.04 -0.54 0.00 0.00 0.00 174.94 174.41 1aoq s LYS 546 N 1.73 0.32 -0.20 2.79 1.02 -1.26 -1.48 119.74 122.66 1aoq s LYS 546 Ca 0.06 -0.12 -0.27 0.00 0.02 0.00 0.00 55.97 55.66 1aoq s LYS 546 Cb -0.17 -0.32 0.08 0.00 -0.52 0.00 0.00 37.83 36.91 1aoq s LYS 546 CO 0.11 0.07 0.79 0.34 -0.92 0.00 0.00 175.35 175.73 1aoq s ASP 547 N -0.00 -0.64 0.56 2.83 -1.08 -1.26 -5.02 116.67 112.06 1aoq s ASP 547 Ca 0.00 1.06 0.26 0.00 -0.52 0.00 0.00 52.55 53.35 1aoq s ASP 547 Cb -0.02 1.01 1.48 0.00 -1.46 0.00 0.00 42.92 43.93 1aoq s ASP 547 CO -0.00 -0.34 2.03 -0.33 0.52 0.00 0.00 175.17 177.05 1aoq h GLU 548 N 4.10 0.00 0.00 4.34 4.39 -2.01 0.26 114.58 125.67 1aoq h GLU 548 Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1aoq h GLU 548 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1aoq h GLU 548 CO 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 178.02 1aoq h ARG 549 N 0.00 0.00 -4.49 2.33 3.08 -2.03 -3.40 114.38 109.88 1aoq h ARG 549 Ca 0.17 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.56 1aoq h ARG 549 Cb 0.78 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 1aoq h ARG 549 CO -0.00 0.00 2.64 -0.11 -1.07 0.00 0.00 179.97 181.42 1aoq n LEU 550 N -2.95 5.57 -4.69 3.04 7.94 0.08 -4.93 117.00 121.05 1aoq n LEU 550 Ca 0.04 -3.69 -0.38 0.00 -1.11 0.00 0.00 56.01 50.86 1aoq n LEU 550 Cb 0.49 -1.52 -0.06 0.00 0.53 0.00 0.00 43.42 42.85 1aoq n LEU 550 CO 0.33 0.36 0.19 -0.69 -1.11 0.00 0.00 177.39 176.47 1aoq s VAL 551 N 4.38 5.16 -1.16 1.96 1.01 -1.26 -4.51 120.40 125.98 1aoq s VAL 551 Ca 0.52 0.92 -0.29 0.00 0.00 0.00 0.00 61.98 63.14 1aoq s VAL 551 Cb 0.12 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.71 1aoq s VAL 551 CO 0.01 0.26 0.70 0.35 0.00 0.00 0.00 175.10 176.42 1aoq n THR 552 N 4.07 -3.55 -2.24 3.92 -2.24 -1.26 -3.71 114.28 109.27 1aoq n THR 552 Ca -0.06 -0.63 -0.42 0.00 -2.27 0.00 0.00 64.05 60.67 1aoq n THR 552 Cb 0.51 -2.85 -0.03 0.00 -2.10 0.00 0.00 70.33 65.86 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 -6.88 4.37 0.00 -0.78 0.04 -1.26 -1.91 135.00 128.58 1aoq s PRO 553 Ca 0.45 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.48 1aoq s PRO 553 Cb -0.23 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1aoq s PRO 553 CO 0.94 -0.34 0.00 0.25 0.04 0.00 0.00 177.00 177.90 1aoq n THR 554 N 3.55 0.00 -1.95 1.26 -2.24 -0.87 -4.33 114.28 109.70 1aoq n THR 554 Ca 0.09 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 1aoq n THR 554 Cb 0.43 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.65 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 0.00 2.90 -0.04 3.38 0.00 -1.26 -4.69 107.32 107.60 1aoq s GLY 555 Ca 0.00 1.42 0.02 0.00 0.00 0.00 0.00 44.72 46.16 1aoq s GLY 555 CO 0.00 2.12 -0.10 0.54 0.00 0.00 0.00 173.10 175.67 1aoq s LYS 556 N -1.79 1.17 -0.14 2.90 1.02 -1.26 -0.59 119.74 121.05 1aoq s LYS 556 Ca 0.52 -0.32 -0.03 0.00 0.02 0.00 0.00 55.97 56.16 1aoq s LYS 556 Cb -0.43 -1.05 0.05 0.00 -0.52 0.00 0.00 37.83 35.88 1aoq s LYS 556 CO 0.57 0.07 0.06 -0.06 -0.92 0.00 0.00 175.35 175.07 1aoq s PHE 557 N 0.42 0.44 0.10 3.18 0.08 -0.61 -4.86 117.98 116.73 1aoq s PHE 557 Ca -0.07 -0.33 -0.31 0.00 0.12 0.00 0.00 56.93 56.34 1aoq s PHE 557 Cb -0.12 -0.75 -0.07 0.00 -0.57 0.00 0.00 43.02 41.51 1aoq s PHE 557 CO 0.01 -0.46 1.30 1.21 -0.10 0.00 0.00 175.22 177.19 1aoq s ASN 558 N 2.05 6.94 0.15 1.36 3.84 -1.26 -0.89 114.94 127.13 1aoq s ASN 558 Ca 0.02 2.20 -0.24 0.00 0.21 0.00 0.00 52.86 55.06 1aoq s ASN 558 Cb -0.15 -2.59 0.02 0.00 -0.55 0.00 0.00 41.25 37.98 1aoq s ASN 558 CO -0.07 -0.57 1.62 0.58 -2.79 0.00 0.00 177.10 175.87 1aoq h VAL 559 N 4.31 0.33 -0.19 -5.21 2.07 -1.08 -1.63 116.25 114.86 1aoq h VAL 559 Ca -0.42 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1aoq h VAL 559 Cb 1.21 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1aoq h VAL 559 CO 0.84 0.00 0.10 0.22 0.02 0.00 0.00 177.57 178.74 1aoq h TYR 560 N -0.30 0.27 0.00 1.57 3.20 -1.58 -0.38 116.97 119.75 1aoq h TYR 560 Ca 0.13 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1aoq h TYR 560 Cb 0.50 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1aoq h TYR 560 CO -0.42 0.27 -0.21 -0.91 -1.64 0.00 0.00 178.16 175.25 1aoq h ASN 561 N 0.19 0.00 0.14 -2.11 2.35 -1.81 -1.62 115.58 112.73 1aoq h ASN 561 Ca 0.07 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.56 1aoq h ASN 561 Cb 0.10 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.48 1aoq h ASN 561 CO -0.01 0.21 -1.26 0.74 -1.65 0.00 0.00 177.43 175.46 1aoq h THR 562 N 0.00 1.20 0.00 2.81 2.02 -1.07 0.04 112.91 117.91 1aoq h THR 562 Ca -0.00 -2.48 -0.06 0.00 0.77 0.00 0.00 66.41 64.63 1aoq h THR 562 Cb 0.48 2.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.79 1aoq h THR 562 CO 0.03 0.73 -0.29 0.00 0.37 0.00 0.00 175.52 176.36 1aoq h MET 563 N -0.25 0.00 -0.02 6.66 -0.00 -0.93 -3.02 114.93 117.38 1aoq h MET 563 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.45 1aoq h MET 563 Cb 1.79 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.39 1aoq h MET 563 CO 0.12 0.29 -0.35 0.25 -0.00 0.00 0.00 176.91 177.23 1aoq n THR 564 N -4.06 0.00 -3.50 -0.10 -2.24 -0.62 -4.72 114.28 99.04 1aoq n THR 564 Ca -0.02 -0.33 -0.18 0.00 -2.27 0.00 0.00 64.05 61.25 1aoq n THR 564 Cb 0.35 1.28 0.07 0.00 -2.10 0.00 0.00 70.33 69.94 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 0.22 -1.87 -4.40 3.42 8.00 -0.72 -4.94 116.55 116.25 1aoq n ASP 565 Ca 0.09 -0.67 -0.44 0.00 0.71 0.00 0.00 54.79 54.48 1aoq n ASP 565 Cb 0.46 -4.85 -0.05 0.00 -0.02 0.00 0.00 41.12 36.65 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 -3.44 4.90 0.00 -3.53 2.01 -0.08 -5.01 115.64 110.49 1aoq s THR 566 Ca 0.01 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.17 1aoq s THR 566 Cb -0.00 -4.38 0.00 0.00 0.01 0.00 0.00 72.50 68.13 1aoq s THR 566 CO 0.75 -0.94 0.00 0.00 -0.69 0.00 0.00 174.62 173.74