#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwq s PHE 2 N 0.00 2.84 -0.73 0.00 5.36 -1.20 -4.63 117.98 119.62 1xwq s PHE 2 Ca 0.00 0.34 -0.27 0.00 -0.96 0.00 0.00 56.93 56.04 1xwq s PHE 2 Cb 0.00 -4.11 0.03 0.00 -0.34 0.00 0.00 43.02 38.60 1xwq s PHE 2 CO 0.00 -4.25 1.26 1.21 -1.46 0.00 0.00 175.22 171.97 1xwq s ASN 3 N 1.36 6.17 -0.00 6.13 2.47 -1.26 -4.86 114.94 124.95 1xwq s ASN 3 Ca 0.75 -0.46 0.10 0.00 0.42 0.00 0.00 52.86 53.67 1xwq s ASN 3 Cb -0.48 -2.55 0.30 0.00 -1.45 0.00 0.00 41.25 37.06 1xwq s ASN 3 CO 0.32 -1.80 1.24 -0.46 -3.72 0.00 0.00 177.10 172.68 1xwq n ASN 4 N 9.23 1.84 -3.23 -4.21 6.94 -1.26 -4.19 115.26 120.38 1xwq n ASN 4 Ca 0.03 -2.02 -0.25 0.00 -0.02 0.00 0.00 54.58 52.32 1xwq n ASN 4 Cb 0.49 -0.24 -0.06 0.00 -2.36 0.00 0.00 39.78 37.61 1xwq n ASN 4 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1xwq n ASN 5 N 0.46 2.60 -4.74 0.53 5.15 -1.26 -4.40 115.26 113.60 1xwq n ASN 5 Ca 0.11 -3.24 -0.42 0.00 -0.60 0.00 0.00 54.58 50.43 1xwq n ASN 5 Cb 0.30 -0.63 -0.01 0.00 -0.53 0.00 0.00 39.78 38.91 1xwq n ASN 5 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1xwq n PRO 6 N 0.68 2.49 -1.89 1.20 -0.04 -1.26 -4.91 135.00 131.27 1xwq n PRO 6 Ca 0.27 0.88 -0.39 0.00 -0.04 0.00 0.00 63.50 64.22 1xwq n PRO 6 Cb 0.47 -2.58 0.02 0.00 -0.04 0.00 0.00 33.50 31.37 1xwq n PRO 6 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xwq s SER 7 N 0.04 5.71 0.00 3.54 0.15 -1.26 -4.63 113.70 117.25 1xwq s SER 7 Ca 0.58 2.73 0.29 0.00 0.70 0.00 0.00 55.95 60.25 1xwq s SER 7 Cb -0.52 -2.64 1.44 0.00 -1.71 0.00 0.00 66.02 62.59 1xwq s SER 7 CO 0.58 -1.27 1.99 -1.54 1.20 0.00 0.00 173.24 174.20 1xwq n SER 8 N -0.55 0.00 -4.60 5.45 3.41 -1.26 -0.68 113.62 115.39 1xwq n SER 8 Ca 0.07 -0.08 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 1xwq n SER 8 Cb 0.44 -0.30 -0.11 0.00 -0.26 0.00 0.00 64.21 63.99 1xwq n SER 8 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1xwq s VAL 9 N -2.60 5.11 0.62 -3.33 1.01 -1.26 -4.34 120.40 115.61 1xwq s VAL 9 Ca 0.26 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 1xwq s VAL 9 Cb 0.19 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1xwq s VAL 9 CO 0.45 0.32 1.03 -0.83 0.00 0.00 0.00 175.10 176.07 1xwq s GLY 10 N 1.33 1.70 0.44 4.51 0.00 -1.25 -4.56 107.32 109.49 1xwq s GLY 10 Ca 0.07 -0.04 0.12 0.00 0.00 0.00 0.00 44.72 44.86 1xwq s GLY 10 CO 0.06 0.23 2.03 0.00 0.00 0.00 0.00 173.10 175.42 1xwq h ALA 11 N -0.26 1.93 -1.01 3.20 0.00 -0.86 -1.26 119.26 121.00 1xwq h ALA 11 Ca -0.44 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.48 1xwq h ALA 11 Cb 1.19 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1xwq h ALA 11 CO 0.61 -0.01 0.66 -0.92 0.00 0.00 0.00 179.25 179.60 1xwq h TYR 12 N 0.40 1.25 0.02 0.00 3.20 -1.39 0.28 116.97 120.73 1xwq h TYR 12 Ca 0.20 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 1xwq h TYR 12 Cb 0.29 -0.42 0.00 0.00 1.54 0.00 0.00 36.73 38.14 1xwq h TYR 12 CO -0.00 0.74 -0.01 1.03 -1.64 0.00 0.00 178.16 178.28 1xwq h SER 13 N 1.30 -0.02 1.69 -2.11 0.87 -1.54 -3.38 113.55 110.37 1xwq h SER 13 Ca 0.39 -0.76 -0.04 0.00 -1.23 0.00 0.00 61.79 60.15 1xwq h SER 13 Cb -0.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1xwq h SER 13 CO -0.11 0.81 -0.31 0.77 -0.53 0.00 0.00 176.83 177.45 1xwq h SER 14 N -0.90 0.00 0.00 6.23 4.64 -1.22 -3.47 113.55 118.82 1xwq h SER 14 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xwq h SER 14 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1xwq h SER 14 CO 0.00 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 1xwq n GLY 15 N 1.16 0.60 3.40 -0.77 0.00 0.97 -5.00 105.19 105.56 1xwq n GLY 15 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 1xwq n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xwq s THR 16 N -2.60 5.23 -0.12 2.61 2.01 -1.24 -5.03 115.64 116.50 1xwq s THR 16 Ca 0.00 -0.97 -0.13 0.00 0.31 0.00 0.00 61.69 60.89 1xwq s THR 16 Cb 0.00 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 1xwq s THR 16 CO 0.00 -0.54 0.30 -0.31 -0.69 0.00 0.00 174.62 173.39 1xwq s TYR 17 N 1.68 3.53 0.46 4.92 1.51 -1.26 -4.22 117.35 123.96 1xwq s TYR 17 Ca 0.05 0.67 -0.23 0.00 -1.01 0.00 0.00 57.07 56.55 1xwq s TYR 17 Cb -0.23 -2.29 -0.08 0.00 -0.11 0.00 0.00 41.96 39.25 1xwq s TYR 17 CO 0.07 0.37 1.12 1.03 -1.11 0.00 0.00 175.55 177.03 1xwq s ARG 18 N 0.02 3.82 -0.58 -0.62 0.52 -1.26 -4.94 118.95 115.91 1xwq s ARG 18 Ca 0.18 1.66 -0.02 0.00 -0.52 0.00 0.00 55.73 57.03 1xwq s ARG 18 Cb -0.14 -2.37 0.15 0.00 0.52 0.00 0.00 34.95 33.11 1xwq s ARG 18 CO 0.06 -0.47 0.39 1.21 0.02 0.00 0.00 175.30 176.50 1xwq s ASN 19 N -1.50 5.16 0.23 0.23 3.84 -1.26 -3.17 114.94 118.47 1xwq s ASN 19 Ca 0.63 -2.73 -0.07 0.00 0.21 0.00 0.00 52.86 50.90 1xwq s ASN 19 Cb -0.25 -1.83 0.21 0.00 -0.55 0.00 0.00 41.25 38.82 1xwq s ASN 19 CO 0.31 -0.39 1.86 0.25 -2.79 0.00 0.00 177.10 176.35 1xwq h LEU 20 N 7.15 1.10 -0.99 3.21 5.85 -1.70 -1.23 115.31 128.71 1xwq h LEU 20 Ca -0.04 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1xwq h LEU 20 Cb 0.96 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1xwq h LEU 20 CO 0.71 0.87 0.65 0.00 -0.34 0.00 0.00 178.44 180.33 1xwq h ALA 21 N 1.28 1.26 -0.38 1.25 0.00 -1.26 -0.88 119.26 120.53 1xwq h ALA 21 Ca 0.32 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1xwq h ALA 21 Cb 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1xwq h ALA 21 CO -0.05 0.62 0.04 0.37 0.00 0.00 0.00 179.25 180.22 1xwq h GLN 22 N 1.31 0.64 -0.96 0.00 4.15 -1.68 -0.98 115.11 117.60 1xwq h GLN 22 Ca 0.37 -0.18 0.10 0.00 0.77 0.00 0.00 58.65 59.71 1xwq h GLN 22 Cb -0.12 -0.07 -0.08 0.00 0.21 0.00 0.00 27.48 27.42 1xwq h GLN 22 CO -0.09 0.71 0.59 0.93 -1.93 0.00 0.00 178.83 179.05 1xwq h GLU 23 N 0.48 0.95 0.00 1.69 5.08 -0.72 -0.65 114.58 121.40 1xwq h GLU 23 Ca 0.11 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1xwq h GLU 23 Cb 0.40 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1xwq h GLU 23 CO 0.01 0.63 0.00 -1.33 -1.00 0.00 0.00 179.01 177.32 1xwq n MET 24 N -4.63 0.96 -1.45 2.33 2.81 -0.38 -0.72 117.12 116.04 1xwq n MET 24 Ca 0.17 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 56.01 1xwq n MET 24 Cb 0.30 -1.28 -0.01 0.00 -0.71 0.00 0.00 33.22 31.52 1xwq n MET 24 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xwq n GLY 25 N 0.71 0.55 3.84 3.03 0.00 -0.25 -4.99 105.19 108.09 1xwq n GLY 25 Ca 0.13 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 1xwq n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwq s LYS 26 N -2.99 3.98 0.37 1.61 -0.14 -0.40 -5.02 119.74 117.15 1xwq s LYS 26 Ca 0.00 0.93 0.08 0.00 -1.36 0.00 0.00 55.97 55.63 1xwq s LYS 26 Cb 0.00 -2.17 -0.06 0.00 -1.68 0.00 0.00 37.83 33.92 1xwq s LYS 26 CO 0.00 -0.21 -0.00 0.95 -0.76 0.00 0.00 175.35 175.33 1xwq s THR 27 N -2.53 2.29 -1.51 2.17 -4.23 -1.26 -4.60 115.64 105.98 1xwq s THR 27 Ca 0.59 -2.02 -0.11 0.00 -1.18 0.00 0.00 61.69 58.97 1xwq s THR 27 Cb -0.10 -2.83 0.07 0.00 1.34 0.00 0.00 72.50 70.99 1xwq s THR 27 CO 0.28 -0.12 0.84 0.59 -0.54 0.00 0.00 174.62 175.67 1xwq n ASN 28 N -0.94 -3.42 0.08 3.99 5.03 -1.26 -4.90 115.26 113.85 1xwq n ASN 28 Ca -0.04 -0.85 -0.13 0.00 0.87 0.00 0.00 54.58 54.43 1xwq n ASN 28 Cb 0.64 -3.66 -0.08 0.00 -1.02 0.00 0.00 39.78 35.66 1xwq n ASN 28 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1xwq h ILE 29 N -1.93 0.95 -0.71 2.41 2.04 -2.00 -2.32 117.51 115.95 1xwq h ILE 29 Ca -0.59 -0.77 -0.07 0.00 1.00 0.00 0.00 64.86 64.43 1xwq h ILE 29 Cb 1.37 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.83 1xwq h ILE 29 CO 0.66 0.17 0.17 1.56 0.00 0.00 0.00 178.15 180.71 1xwq h GLN 30 N -0.62 1.14 -0.69 2.37 1.08 -1.95 -0.91 115.11 115.53 1xwq h GLN 30 Ca -0.02 -0.27 0.10 0.00 -1.45 0.00 0.00 58.65 57.00 1xwq h GLN 30 Cb 0.46 -0.15 -0.07 0.00 -0.05 0.00 0.00 27.48 27.66 1xwq h GLN 30 CO 0.04 1.00 0.31 0.37 -0.95 0.00 0.00 178.83 179.60 1xwq h GLN 31 N 1.08 0.52 -0.46 1.46 4.15 -1.95 0.92 115.11 120.81 1xwq h GLN 31 Ca 0.22 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.50 1xwq h GLN 31 Cb 0.38 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1xwq h GLN 31 CO 0.00 0.34 -0.15 -0.22 -1.93 0.00 0.00 178.83 176.87 1xwq h LYS 32 N 0.53 0.93 -0.28 1.69 3.64 -0.74 -0.31 116.57 122.02 1xwq h LYS 32 Ca 0.35 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1xwq h LYS 32 Cb 0.41 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1xwq h LYS 32 CO -0.30 1.03 0.18 0.28 -2.27 0.00 0.00 179.45 178.38 1xwq h VAL 33 N 0.77 1.07 -0.50 2.00 2.07 -0.85 -1.17 116.25 119.63 1xwq h VAL 33 Ca 0.11 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1xwq h VAL 33 Cb 0.72 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1xwq h VAL 33 CO 0.05 0.07 0.24 0.78 0.02 0.00 0.00 177.57 178.73 1xwq h ASN 34 N 0.37 0.66 -0.30 0.57 2.35 -0.63 -2.44 115.58 116.17 1xwq h ASN 34 Ca 0.10 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 1xwq h ASN 34 Cb -0.04 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1xwq h ASN 34 CO -0.02 0.61 -0.10 0.28 -1.65 0.00 0.00 177.43 176.55 1xwq h SER 35 N 0.67 0.69 -0.29 5.81 0.02 -0.99 -0.94 113.55 118.53 1xwq h SER 35 Ca 0.17 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1xwq h SER 35 Cb 0.13 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1xwq h SER 35 CO -0.02 0.82 0.09 0.74 -1.14 0.00 0.00 176.83 177.32 1xwq h THR 36 N 0.65 0.91 -0.20 -2.27 2.02 -0.97 0.42 112.91 113.46 1xwq h THR 36 Ca 0.11 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 1xwq h THR 36 Cb 0.54 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1xwq h THR 36 CO 0.03 0.04 0.03 0.15 0.37 0.00 0.00 175.52 176.14 1xwq h PHE 37 N 0.21 0.36 -0.98 3.16 3.04 -1.22 -1.79 116.94 119.72 1xwq h PHE 37 Ca 0.13 -0.05 0.06 0.00 3.98 0.00 0.00 57.97 62.08 1xwq h PHE 37 Cb 0.11 -0.10 -0.06 0.00 2.56 0.00 0.00 35.95 38.46 1xwq h PHE 37 CO -0.14 0.49 0.64 -0.44 -2.02 0.00 0.00 178.31 176.84 1xwq h ASP 38 N 0.13 1.03 -0.21 0.41 3.32 -0.88 0.95 116.42 121.17 1xwq h ASP 38 Ca 0.06 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.92 1xwq h ASP 38 Cb 0.33 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.67 1xwq h ASP 38 CO 0.01 0.67 -0.63 0.78 -1.72 0.00 0.00 179.24 178.34 1xwq h ASN 39 N 1.17 0.92 -0.05 6.45 2.35 -0.86 -1.38 115.58 124.18 1xwq h ASN 39 Ca 0.42 -0.58 -0.11 0.00 -0.55 0.00 0.00 56.30 55.47 1xwq h ASN 39 Cb 0.13 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1xwq h ASN 39 CO -0.16 1.34 -0.33 -0.03 -1.65 0.00 0.00 177.43 176.61 1xwq h MET 40 N 0.55 0.53 -0.57 0.81 4.05 -0.84 -3.05 114.93 116.40 1xwq h MET 40 Ca -0.02 -0.24 -0.26 0.00 -0.28 0.00 0.00 59.70 58.91 1xwq h MET 40 Cb 1.25 -0.01 -0.15 0.00 -0.80 0.00 0.00 31.60 31.88 1xwq h MET 40 CO 0.13 0.79 0.18 1.19 0.23 0.00 0.00 176.91 179.43 1xwq n PHE 41 N -4.07 1.79 -4.40 1.39 3.01 0.29 -0.68 117.46 114.79 1xwq n PHE 41 Ca -0.01 -1.53 -0.27 0.00 1.01 0.00 0.00 57.45 56.66 1xwq n PHE 41 Cb 0.46 -0.62 -0.11 0.00 -0.01 0.00 0.00 39.48 39.20 1xwq n PHE 41 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1xwq s GLY 42 N -1.93 1.73 -1.35 1.37 0.00 -0.52 -4.94 107.32 101.68 1xwq s GLY 42 Ca 0.49 -1.63 -0.10 0.00 0.00 0.00 0.00 44.72 43.48 1xwq s GLY 42 CO 0.06 -1.66 2.10 -1.72 0.00 0.00 0.00 173.10 171.88 1xwq n TYR 43 N 0.11 3.00 0.27 1.90 4.01 -1.26 -4.44 117.16 120.76 1xwq n TYR 43 Ca -0.11 -2.86 0.03 0.00 -0.16 0.00 0.00 57.90 54.80 1xwq n TYR 43 Cb 0.56 -2.12 -0.03 0.00 -0.31 0.00 0.00 39.34 37.44 1xwq n TYR 43 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1xwq n ASN 44 N 4.14 0.33 -2.24 7.72 0.23 -1.26 -5.00 115.26 119.18 1xwq n ASN 44 Ca 0.48 -0.66 -0.08 0.00 -0.53 0.00 0.00 54.58 53.78 1xwq n ASN 44 Cb 0.35 0.96 -0.01 0.00 -2.08 0.00 0.00 39.78 38.99 1xwq n ASN 44 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1xwq n ASN 45 N -1.07 -2.84 0.00 0.53 4.05 -1.26 -4.77 115.26 109.90 1xwq n ASN 45 Ca 0.01 0.28 0.00 0.00 0.45 0.00 0.00 54.58 55.32 1xwq n ASN 45 Cb 0.09 -2.52 0.00 0.00 1.23 0.00 0.00 39.78 38.58 1xwq n ASN 45 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1xwq n THR 46 N -2.82 0.00 0.37 -0.44 -1.04 -1.26 -4.80 114.28 104.29 1xwq n THR 46 Ca -0.10 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.03 1xwq n THR 46 Cb 0.52 -0.91 0.07 0.00 -1.82 0.00 0.00 70.33 68.19 1xwq n THR 46 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xwq n GLN 47 N -2.24 0.43 -1.62 -2.82 3.00 -1.26 -3.86 117.38 109.01 1xwq n GLN 47 Ca 0.00 0.08 -0.46 0.00 -0.01 0.00 0.00 57.00 56.61 1xwq n GLN 47 Cb 0.00 -1.73 -0.03 0.00 0.00 0.00 0.00 30.24 28.49 1xwq n GLN 47 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1xwq n GLN 48 N -2.32 1.57 0.00 -1.09 7.27 -1.16 -4.49 117.38 117.16 1xwq n GLN 48 Ca 0.02 0.56 0.00 0.00 0.07 0.00 0.00 57.00 57.64 1xwq n GLN 48 Cb 0.49 -2.08 0.00 0.00 2.41 0.00 0.00 30.24 31.05 1xwq n GLN 48 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1xwq n LEU 49 N 1.78 0.00 -4.52 1.69 4.77 0.14 -4.88 117.00 115.98 1xwq n LEU 49 Ca 0.12 -0.15 -0.41 0.00 -0.03 0.00 0.00 56.01 55.54 1xwq n LEU 49 Cb 0.29 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 1xwq n LEU 49 CO 0.61 0.00 -0.04 -0.47 -1.33 0.00 0.00 177.39 176.16 1xwq s TYR 50 N -0.66 3.22 -0.01 -1.77 6.14 -1.03 -0.62 117.35 122.61 1xwq s TYR 50 Ca 0.00 -0.21 0.05 0.00 0.64 0.00 0.00 57.07 57.55 1xwq s TYR 50 Cb 0.00 -2.59 -0.01 0.00 0.42 0.00 0.00 41.96 39.77 1xwq s TYR 50 CO 0.00 -0.44 -0.16 0.71 0.64 0.00 0.00 175.55 176.30 1xwq s TYR 51 N 1.85 1.41 0.40 4.97 1.51 -0.18 -4.75 117.35 122.56 1xwq s TYR 51 Ca 0.08 -0.27 -0.24 0.00 -1.01 0.00 0.00 57.07 55.63 1xwq s TYR 51 Cb -0.17 -0.90 -0.09 0.00 -0.11 0.00 0.00 41.96 40.69 1xwq s TYR 51 CO 0.11 -0.02 1.08 -1.25 -1.11 0.00 0.00 175.55 174.36 1xwq s PRO 52 N -0.42 4.11 -0.18 -1.71 0.04 -1.26 -0.58 135.00 134.99 1xwq s PRO 52 Ca 0.06 1.59 -0.01 0.00 0.04 0.00 0.00 61.00 62.68 1xwq s PRO 52 Cb -0.06 -2.55 -0.00 0.00 0.04 0.00 0.00 34.50 31.92 1xwq s PRO 52 CO -0.00 -0.21 -0.12 -0.47 0.04 0.00 0.00 177.00 176.24 1xwq s TYR 53 N -1.60 2.85 0.16 0.56 5.04 0.14 -4.87 117.35 119.63 1xwq s TYR 53 Ca 0.58 -0.99 0.10 0.00 -2.44 0.00 0.00 57.07 54.31 1xwq s TYR 53 Cb -0.24 -1.96 -0.04 0.00 0.35 0.00 0.00 41.96 40.07 1xwq s TYR 53 CO 0.30 -0.48 -0.21 0.95 -1.34 0.00 0.00 175.55 174.76 1xwq s THR 54 N 1.00 2.02 -0.12 4.34 -4.23 -1.26 -1.34 115.64 116.05 1xwq s THR 54 Ca -0.01 -1.88 -0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1xwq s THR 54 Cb -0.15 -1.91 0.03 0.00 1.34 0.00 0.00 72.50 71.81 1xwq s THR 54 CO -0.02 -0.17 -0.07 -1.61 -0.54 0.00 0.00 174.62 172.21 1xwq s GLU 55 N -2.54 1.50 -1.57 3.99 2.02 -0.22 -4.76 118.70 117.12 1xwq s GLU 55 Ca 0.16 -0.29 -0.13 0.00 0.02 0.00 0.00 54.97 54.73 1xwq s GLU 55 Cb -0.08 -1.64 0.10 0.00 0.10 0.00 0.00 34.13 32.61 1xwq s GLU 55 CO 0.07 -0.29 0.81 0.09 0.02 0.00 0.00 175.26 175.96 1xwq n ASN 56 N 4.94 -3.37 0.00 -0.19 3.02 -1.26 -1.23 115.26 117.17 1xwq n ASN 56 Ca -0.12 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 1xwq n ASN 56 Cb 0.50 -3.36 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 1xwq n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwq n GLY 57 N -1.61 1.10 3.64 7.41 0.00 -1.26 -5.01 105.19 109.46 1xwq n GLY 57 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1xwq n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xwq s VAL 58 N -3.77 5.26 0.30 1.61 1.01 -0.36 -5.05 120.40 119.39 1xwq s VAL 58 Ca 0.00 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 1xwq s VAL 58 Cb 0.00 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.64 1xwq s VAL 58 CO 0.00 0.26 1.54 -0.47 0.00 0.00 0.00 175.10 176.43 1xwq s TYR 59 N 1.48 2.76 0.05 5.22 5.04 -1.26 -1.05 117.35 129.59 1xwq s TYR 59 Ca 0.13 0.91 -0.01 0.00 -2.44 0.00 0.00 57.07 55.65 1xwq s TYR 59 Cb -0.15 -4.02 -0.00 0.00 0.35 0.00 0.00 41.96 38.14 1xwq s TYR 59 CO 0.08 -3.30 -0.02 1.63 -1.34 0.00 0.00 175.55 172.59 1xwq n LYS 60 N 1.82 0.04 -1.53 4.97 4.76 -0.45 -4.90 118.16 122.88 1xwq n LYS 60 Ca 0.06 0.01 -0.01 0.00 -2.87 0.00 0.00 58.31 55.51 1xwq n LYS 60 Cb 0.38 -0.41 0.00 0.00 -1.84 0.00 0.00 35.03 33.16 1xwq n LYS 60 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xwq n ALA 61 N -3.23 -0.31 -2.45 7.82 0.00 -1.09 -4.90 120.51 116.35 1xwq n ALA 61 Ca -0.01 -0.18 -0.21 0.00 0.00 0.00 0.00 53.44 53.04 1xwq n ALA 61 Cb 0.04 0.13 -0.11 0.00 0.00 0.00 0.00 19.45 19.51 1xwq n ALA 61 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1xwq s HIS 62 N -7.24 1.73 0.07 0.00 3.76 -0.56 0.26 115.29 113.32 1xwq s HIS 62 Ca 0.03 -0.49 0.01 0.00 -0.15 0.00 0.00 55.06 54.45 1xwq s HIS 62 Cb -0.01 -0.87 -0.04 0.00 1.11 0.00 0.00 32.58 32.78 1xwq s HIS 62 CO 0.02 0.30 -0.05 1.52 -0.85 0.00 0.00 174.74 175.67 1xwq s TYR 63 N -2.14 0.71 -0.23 1.40 1.13 0.25 -4.10 117.35 114.37 1xwq s TYR 63 Ca 0.15 -0.93 -0.22 0.00 -1.41 0.00 0.00 57.07 54.67 1xwq s TYR 63 Cb -0.05 -0.45 -0.02 0.00 -1.10 0.00 0.00 41.96 40.35 1xwq s TYR 63 CO 0.06 -0.23 0.69 0.42 -2.51 0.00 0.00 175.55 173.97 1xwq s ILE 64 N -3.48 4.95 -0.33 -3.49 -1.09 -1.26 -1.01 121.20 115.50 1xwq s ILE 64 Ca 0.07 1.27 -0.23 0.00 -2.23 0.00 0.00 60.65 59.54 1xwq s ILE 64 Cb 0.05 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 1xwq s ILE 64 CO -0.06 0.03 0.77 -0.75 -1.23 0.00 0.00 174.94 173.70 1xwq s LYS 65 N 2.40 3.87 -1.30 2.79 2.20 0.21 -4.32 119.74 125.59 1xwq s LYS 65 Ca 0.30 0.46 -0.16 0.00 -0.36 0.00 0.00 55.97 56.20 1xwq s LYS 65 Cb -0.16 -3.76 0.10 0.00 -1.51 0.00 0.00 37.83 32.50 1xwq s LYS 65 CO 0.09 -0.74 1.74 0.00 -0.36 0.00 0.00 175.35 176.08 1xwq n ALA 66 N 6.27 4.02 -1.67 3.13 0.00 0.44 -4.75 120.51 127.95 1xwq n ALA 66 Ca 0.03 -3.99 -0.45 0.00 0.00 0.00 0.00 53.44 49.03 1xwq n ALA 66 Cb 0.48 -3.42 -0.03 0.00 0.00 0.00 0.00 19.45 16.49 1xwq n ALA 66 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1xwq n ILE 67 N 5.56 0.98 -3.29 0.00 5.41 -1.26 -1.91 119.36 124.84 1xwq n ILE 67 Ca 0.46 -0.24 -0.08 0.00 1.00 0.00 0.00 62.75 63.88 1xwq n ILE 67 Cb 0.44 -1.45 -0.06 0.00 -0.71 0.00 0.00 39.64 37.86 1xwq n ILE 67 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1xwq s ASN 68 N 0.26 0.25 0.43 4.38 3.84 -1.26 -4.67 114.94 118.18 1xwq s ASN 68 Ca 0.68 -0.34 0.29 0.00 0.21 0.00 0.00 52.86 53.70 1xwq s ASN 68 Cb -0.66 1.17 1.10 0.00 -0.55 0.00 0.00 41.25 42.31 1xwq s ASN 68 CO 0.50 -0.35 1.85 1.55 -2.79 0.00 0.00 177.10 177.86 1xwq h PRO 69 N 8.15 0.00 0.13 0.43 0.13 -1.88 -0.55 132.00 138.40 1xwq h PRO 69 Ca -0.08 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.71 1xwq h PRO 69 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1xwq h PRO 69 CO 0.26 0.00 -1.74 -0.44 -0.23 0.00 0.00 178.00 175.85 1xwq h ASP 70 N 0.00 0.42 0.00 1.44 5.19 -1.96 -3.40 116.42 118.10 1xwq h ASP 70 Ca 0.00 -0.70 0.00 0.00 -0.62 0.00 0.00 57.03 55.71 1xwq h ASP 70 Cb 0.54 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.91 1xwq h ASP 70 CO 0.00 1.61 0.00 -0.62 -3.12 0.00 0.00 179.24 177.11 1xwq n GLU 71 N -3.45 1.37 0.00 3.56 1.02 -1.25 -5.12 120.64 116.77 1xwq n GLU 71 Ca -0.23 -0.95 0.00 0.00 -0.02 0.00 0.00 57.16 55.96 1xwq n GLU 71 Cb 1.05 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 31.72 1xwq n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xwq n GLY 72 N -0.24 -0.13 3.71 0.62 0.00 -0.22 -4.96 105.19 103.97 1xwq n GLY 72 Ca 0.00 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 1xwq n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xwq n ASP 73 N -0.53 3.21 -2.24 1.61 8.00 -1.17 -4.38 116.55 121.05 1xwq n ASP 73 Ca 0.00 1.17 -0.10 0.00 0.71 0.00 0.00 54.79 56.57 1xwq n ASP 73 Cb 0.00 -1.51 -0.03 0.00 -0.02 0.00 0.00 41.12 39.55 1xwq n ASP 73 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1xwq n ASP 74 N 1.61 0.40 -3.95 -2.24 5.68 -0.80 -4.76 116.55 112.49 1xwq n ASP 74 Ca 0.08 -1.94 -0.23 0.00 -0.50 0.00 0.00 54.79 52.19 1xwq n ASP 74 Cb 0.35 0.58 -0.17 0.00 -1.14 0.00 0.00 41.12 40.74 1xwq n ASP 74 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1xwq s ILE 75 N -2.39 0.89 0.05 2.12 1.01 0.35 -0.42 121.20 122.81 1xwq s ILE 75 Ca 0.13 -0.30 0.08 0.00 0.00 0.00 0.00 60.65 60.56 1xwq s ILE 75 Cb 0.01 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 1xwq s ILE 75 CO 0.09 0.31 -0.23 -0.13 0.00 0.00 0.00 174.94 174.98 1xwq s ARG 76 N 0.99 1.54 0.34 2.79 0.52 -1.26 -0.72 118.95 123.15 1xwq s ARG 76 Ca -0.09 -1.02 0.06 0.00 -0.52 0.00 0.00 55.73 54.15 1xwq s ARG 76 Cb -0.15 -1.70 0.61 0.00 0.52 0.00 0.00 34.95 34.23 1xwq s ARG 76 CO 0.00 0.43 1.85 1.79 0.02 0.00 0.00 175.30 179.39 1xwq h THR 77 N 4.29 1.21 0.33 0.02 1.35 -1.76 -1.60 112.91 116.75 1xwq h THR 77 Ca -0.44 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 1xwq h THR 77 Cb 1.15 1.14 -0.03 0.00 -1.73 0.00 0.00 68.15 68.69 1xwq h THR 77 CO 0.43 0.30 -0.37 -0.61 -0.25 0.00 0.00 175.52 175.02 1xwq h GLN 78 N 0.39 -0.71 -0.69 4.72 4.15 -1.86 -0.21 115.11 120.91 1xwq h GLN 78 Ca 0.08 0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.49 1xwq h GLN 78 Cb 0.44 0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.26 1xwq h GLN 78 CO 0.02 -0.47 0.21 0.78 -1.93 0.00 0.00 178.83 177.44 1xwq h GLY 79 N -0.74 1.15 0.99 2.39 0.00 -1.90 -1.74 103.07 103.23 1xwq h GLY 79 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1xwq h GLY 79 CO -0.09 0.63 0.17 -1.61 0.00 0.00 0.00 176.54 175.64 1xwq h GLN 80 N 1.03 0.34 -0.27 4.80 5.75 -1.17 -0.32 115.11 125.27 1xwq h GLN 80 Ca 0.22 -0.02 -0.16 0.00 -0.15 0.00 0.00 58.65 58.54 1xwq h GLN 80 Cb 0.30 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.77 1xwq h GLN 80 CO -0.01 0.23 -0.49 1.03 -2.65 0.00 0.00 178.83 176.94 1xwq h SER 81 N 0.35 0.81 -0.84 -0.69 0.87 -0.93 -2.12 113.55 111.01 1xwq h SER 81 Ca 0.10 -0.41 -0.01 0.00 -1.23 0.00 0.00 61.79 60.24 1xwq h SER 81 Cb -0.03 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.66 1xwq h SER 81 CO -0.03 1.16 0.50 -0.50 -0.53 0.00 0.00 176.83 177.43 1xwq h TRP 82 N 0.59 1.11 -0.56 2.24 6.55 -1.21 -1.71 115.95 122.95 1xwq h TRP 82 Ca 0.03 -0.01 -0.00 0.00 0.95 0.00 0.00 58.89 59.86 1xwq h TRP 82 Cb 1.06 -0.36 -0.03 0.00 -0.86 0.00 0.00 29.16 28.97 1xwq h TRP 82 CO 0.06 0.74 0.35 0.78 -1.05 0.00 0.00 178.44 179.32 1xwq h GLY 83 N 1.15 0.82 1.14 1.49 0.00 -0.73 -0.75 103.07 106.18 1xwq h GLY 83 Ca 0.30 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 1xwq h GLY 83 CO -0.06 0.32 0.23 -0.33 0.00 0.00 0.00 176.54 176.71 1xwq h MET 84 N 0.76 1.08 -0.33 4.80 2.86 -1.24 -1.36 114.93 121.50 1xwq h MET 84 Ca 0.20 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1xwq h MET 84 Cb -0.03 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1xwq h MET 84 CO -0.04 0.92 0.15 1.15 1.06 0.00 0.00 176.91 180.14 1xwq h THR 85 N 1.04 1.17 -0.32 2.22 2.02 -0.82 -1.33 112.91 116.90 1xwq h THR 85 Ca 0.23 -0.51 0.01 0.00 0.77 0.00 0.00 66.41 66.91 1xwq h THR 85 Cb 0.28 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1xwq h THR 85 CO -0.01 0.18 0.19 0.00 0.37 0.00 0.00 175.52 176.26 1xwq h ALA 86 N 0.99 0.40 -0.43 6.16 0.00 -0.96 -2.47 119.26 122.95 1xwq h ALA 86 Ca 0.11 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1xwq h ALA 86 Cb 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1xwq h ALA 86 CO -0.01 -0.16 0.19 0.00 0.00 0.00 0.00 179.25 179.27 1xwq h ALA 87 N 1.13 0.53 -0.07 0.00 0.00 -1.05 -2.63 119.26 117.18 1xwq h ALA 87 Ca 0.12 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1xwq h ALA 87 Cb -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xwq h ALA 87 CO -0.05 -0.17 -0.38 -0.24 0.00 0.00 0.00 179.25 178.41 1xwq h VAL 88 N 0.39 1.29 0.00 0.00 3.04 -1.11 0.13 116.25 120.00 1xwq h VAL 88 Ca 0.19 -1.40 -0.07 0.00 -1.01 0.00 0.00 66.70 64.41 1xwq h VAL 88 Cb 0.13 1.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.06 1xwq h VAL 88 CO -0.15 0.41 -0.32 0.24 -1.01 0.00 0.00 177.57 176.74 1xwq h MET 89 N 0.13 0.00 -0.59 4.17 2.86 -1.09 -2.81 114.93 117.60 1xwq h MET 89 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1xwq h MET 89 Cb 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1xwq h MET 89 CO 0.06 0.32 0.00 1.28 1.06 0.00 0.00 176.91 179.62 1xwq n LEU 90 N -4.13 3.64 -2.97 1.22 4.77 -1.03 -4.93 117.00 113.57 1xwq n LEU 90 Ca -0.02 -2.03 -0.19 0.00 -0.03 0.00 0.00 56.01 53.73 1xwq n LEU 90 Cb 0.36 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1xwq n LEU 90 CO 0.38 0.89 0.18 -3.20 -1.33 0.00 0.00 177.39 174.31 1xwq n ASN 91 N 1.20 -5.55 -4.27 -1.43 5.15 -0.81 -4.96 115.26 104.59 1xwq n ASN 91 Ca 0.20 -0.42 -0.43 0.00 -0.60 0.00 0.00 54.58 53.33 1xwq n ASN 91 Cb 0.57 -4.18 -0.03 0.00 -0.53 0.00 0.00 39.78 35.61 1xwq n ASN 91 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1xwq s LYS 92 N -6.02 3.69 0.05 1.20 -0.14 0.41 -4.93 119.74 114.00 1xwq s LYS 92 Ca 0.46 -2.95 -0.19 0.00 -1.36 0.00 0.00 55.97 51.93 1xwq s LYS 92 Cb -0.20 -4.32 -0.14 0.00 -1.68 0.00 0.00 37.83 31.48 1xwq s LYS 92 CO 0.57 -1.25 1.32 0.37 -0.76 0.00 0.00 175.35 175.60 1xwq h GLN 93 N 6.89 0.45 -0.47 1.68 4.15 -1.93 -2.15 115.11 123.73 1xwq h GLN 93 Ca 0.14 -0.27 0.01 0.00 0.77 0.00 0.00 58.65 59.29 1xwq h GLN 93 Cb 0.92 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.61 1xwq h GLN 93 CO 0.88 0.86 0.31 0.93 -1.93 0.00 0.00 178.83 179.88 1xwq h GLU 94 N 0.08 0.61 -0.65 1.69 4.39 -1.98 0.52 114.58 119.25 1xwq h GLU 94 Ca 0.01 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1xwq h GLU 94 Cb 0.82 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 1xwq h GLU 94 CO 0.06 0.41 0.42 0.93 -1.16 0.00 0.00 179.01 179.67 1xwq h GLU 95 N 0.63 0.85 0.05 2.33 3.07 -1.97 -0.26 114.58 119.28 1xwq h GLU 95 Ca 0.17 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 58.99 1xwq h GLU 95 Cb -0.07 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.63 1xwq h GLU 95 CO -0.04 0.57 -0.10 0.35 -1.40 0.00 0.00 179.01 178.39 1xwq h PHE 96 N 0.88 -0.24 -0.72 4.33 3.04 -0.92 -2.52 116.94 120.78 1xwq h PHE 96 Ca 0.24 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.13 1xwq h PHE 96 Cb -0.09 0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.49 1xwq h PHE 96 CO -0.03 -0.15 0.20 -0.44 -2.02 0.00 0.00 178.31 175.88 1xwq h ASP 97 N -0.19 1.07 -0.30 0.41 3.32 -0.60 0.04 116.42 120.18 1xwq h ASP 97 Ca 0.02 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.77 1xwq h ASP 97 Cb 0.21 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1xwq h ASP 97 CO -0.06 1.01 -0.08 0.78 -1.72 0.00 0.00 179.24 179.17 1xwq h ASN 98 N 1.08 0.68 -0.14 6.45 2.35 -1.01 0.87 115.58 125.86 1xwq h ASN 98 Ca 0.23 -0.18 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 1xwq h ASN 98 Cb 0.34 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1xwq h ASN 98 CO -0.00 0.80 -0.47 -0.07 -1.65 0.00 0.00 177.43 176.03 1xwq h LEU 99 N 0.64 0.66 -0.51 1.61 3.38 -1.05 -1.45 115.31 118.59 1xwq h LEU 99 Ca 0.12 -0.61 -0.13 0.00 0.09 0.00 0.00 57.88 57.35 1xwq h LEU 99 Cb 0.51 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1xwq h LEU 99 CO 0.03 1.15 -0.25 -0.25 0.09 0.00 0.00 178.44 179.21 1xwq h TRP 100 N 0.20 1.10 -0.84 1.13 -0.00 -0.86 -1.92 115.95 114.76 1xwq h TRP 100 Ca -0.02 -0.27 0.12 0.00 -0.00 0.00 0.00 58.89 58.72 1xwq h TRP 100 Cb 1.10 -0.25 -0.08 0.00 -0.00 0.00 0.00 29.16 29.92 1xwq h TRP 100 CO 0.10 1.09 0.46 -0.09 -0.00 0.00 0.00 178.44 180.00 1xwq h ARG 101 N 0.81 0.69 0.04 2.65 2.43 -0.89 -1.06 114.38 119.04 1xwq h ARG 101 Ca 0.10 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1xwq h ARG 101 Cb 0.82 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1xwq h ARG 101 CO 0.07 0.46 -0.02 0.35 -1.51 0.00 0.00 179.97 179.32 1xwq h PHE 102 N 0.71 -0.05 -0.30 2.20 3.04 -1.31 -2.12 116.94 119.11 1xwq h PHE 102 Ca 0.43 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.40 1xwq h PHE 102 Cb 0.51 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.01 1xwq h PHE 102 CO -0.07 0.22 0.14 0.00 -2.02 0.00 0.00 178.31 176.58 1xwq h ALA 103 N 0.64 0.36 -0.63 2.41 0.00 -1.06 0.11 119.26 121.09 1xwq h ALA 103 Ca -0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1xwq h ALA 103 Cb 0.29 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1xwq h ALA 103 CO 0.01 -0.25 0.22 0.87 0.00 0.00 0.00 179.25 180.10 1xwq h LYS 104 N 0.30 0.95 0.23 0.00 1.57 -1.21 -1.14 116.57 117.27 1xwq h LYS 104 Ca 0.13 -0.17 -0.34 0.00 -1.87 0.00 0.00 60.65 58.39 1xwq h LYS 104 Cb 0.06 -0.15 0.03 0.00 0.08 0.00 0.00 32.23 32.24 1xwq h LYS 104 CO -0.10 0.80 -1.57 0.00 -0.57 0.00 0.00 179.45 178.01 1xwq h ALA 105 N 1.32 -0.06 0.00 3.86 0.00 -0.95 -3.38 119.26 120.04 1xwq h ALA 105 Ca 0.21 -0.95 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 1xwq h ALA 105 Cb 0.23 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1xwq h ALA 105 CO -0.01 0.80 -1.12 0.66 0.00 0.00 0.00 179.25 179.58 1xwq n TYR 106 N -3.68 0.00 -0.04 0.00 4.01 0.35 -4.73 117.16 113.08 1xwq n TYR 106 Ca -0.19 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.40 1xwq n TYR 106 Cb 1.10 -0.08 -0.14 0.00 -0.31 0.00 0.00 39.34 39.91 1xwq n TYR 106 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1xwq n GLN 107 N -1.88 0.69 -1.90 -0.72 6.02 -0.52 -4.85 117.38 114.22 1xwq n GLN 107 Ca -0.02 0.22 -0.42 0.00 -0.01 0.00 0.00 57.00 56.77 1xwq n GLN 107 Cb 0.37 -1.68 -0.03 0.00 1.02 0.00 0.00 30.24 29.92 1xwq n GLN 107 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1xwq s LYS 108 N -2.56 4.18 0.30 -1.09 2.20 -0.67 0.00 119.74 122.11 1xwq s LYS 108 Ca -0.17 2.35 -0.29 0.00 -0.36 0.00 0.00 55.97 57.50 1xwq s LYS 108 Cb 0.07 -3.76 -0.10 0.00 -1.51 0.00 0.00 37.83 32.54 1xwq s LYS 108 CO 0.77 -0.79 1.17 -0.80 -0.36 0.00 0.00 175.35 175.34 1xwq s ASN 109 N 2.89 7.08 0.55 1.43 0.01 0.16 -4.90 114.94 122.15 1xwq s ASN 109 Ca 0.76 2.42 -0.21 0.00 -0.71 0.00 0.00 52.86 55.12 1xwq s ASN 109 Cb -0.39 -2.63 -0.06 0.00 0.41 0.00 0.00 41.25 38.58 1xwq s ASN 109 CO 0.33 -0.29 1.12 -0.81 -1.51 0.00 0.00 177.10 175.94 1xwq n PRO 110 N 1.02 1.28 0.19 -0.60 -0.04 -1.26 -2.40 135.00 133.18 1xwq n PRO 110 Ca -0.01 0.48 0.14 0.00 -0.04 0.00 0.00 63.50 64.07 1xwq n PRO 110 Cb 0.44 -2.29 0.63 0.00 -0.04 0.00 0.00 33.50 32.23 1xwq n PRO 110 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xwq h ASP 111 N 1.04 0.00 -0.38 3.54 3.32 -1.92 -2.48 116.42 119.54 1xwq h ASP 111 Ca -0.49 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.49 1xwq h ASP 111 Cb 1.34 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.84 1xwq h ASP 111 CO 0.54 0.00 0.04 -0.46 -1.72 0.00 0.00 179.24 177.64 1xwq n ASN 112 N -2.50 3.86 -4.62 6.45 6.94 -1.26 -4.72 115.26 119.41 1xwq n ASN 112 Ca 0.01 -3.20 -0.48 0.00 -0.02 0.00 0.00 54.58 50.89 1xwq n ASN 112 Cb 0.19 -0.61 -0.04 0.00 -2.36 0.00 0.00 39.78 36.96 1xwq n ASN 112 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 1xwq n HIS 113 N -0.53 1.68 0.01 -2.53 -0.00 -0.94 -4.85 115.22 108.06 1xwq n HIS 113 Ca 0.28 0.56 0.22 0.00 0.46 0.00 0.00 57.72 59.23 1xwq n HIS 113 Cb 1.03 -2.37 0.72 0.00 -0.12 0.00 0.00 29.99 29.25 1xwq n HIS 113 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1xwq h PRO 114 N 3.98 0.00 -5.20 1.57 0.13 -1.95 -3.36 132.00 127.17 1xwq h PRO 114 Ca -0.44 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.02 1xwq h PRO 114 Cb 1.31 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.28 1xwq h PRO 114 CO 0.74 0.00 -0.02 0.34 -0.23 0.00 0.00 178.00 178.84 1xwq s ASP 115 N -5.81 6.28 0.53 1.44 -1.08 -1.26 -4.95 116.67 111.82 1xwq s ASP 115 Ca -0.05 -0.36 0.20 0.00 -0.52 0.00 0.00 52.55 51.82 1xwq s ASP 115 Cb 0.19 -2.28 1.40 0.00 -1.46 0.00 0.00 42.92 40.77 1xwq s ASP 115 CO 0.67 -0.65 2.16 0.00 0.52 0.00 0.00 175.17 177.88 1xwq h ALA 116 N 8.73 1.80 0.00 3.66 0.00 -1.98 -1.48 119.26 129.99 1xwq h ALA 116 Ca -0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xwq h ALA 116 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xwq h ALA 116 CO 0.83 0.03 0.00 0.87 0.00 0.00 0.00 179.25 180.99 1xwq h LYS 117 N 0.00 0.00 -0.01 0.00 1.57 -1.92 -2.83 116.57 113.38 1xwq h LYS 117 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xwq h LYS 117 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1xwq h LYS 117 CO 0.00 0.00 -0.68 1.63 -0.57 0.00 0.00 179.45 179.83 1xwq n LYS 118 N -2.80 0.93 -1.82 3.15 5.02 -0.57 -4.86 118.16 117.21 1xwq n LYS 118 Ca 0.01 -0.48 -0.42 0.00 -2.02 0.00 0.00 58.31 55.40 1xwq n LYS 118 Cb 0.27 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 1xwq n LYS 118 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1xwq s GLN 119 N -2.59 4.15 0.00 1.97 -0.21 -1.07 -2.45 119.66 119.47 1xwq s GLN 119 Ca 0.12 2.41 0.00 0.00 0.02 0.00 0.00 55.36 57.92 1xwq s GLN 119 Cb 0.16 -4.08 0.00 0.00 1.00 0.00 0.00 33.01 30.08 1xwq s GLN 119 CO 0.67 -0.92 0.00 0.41 -2.12 0.00 0.00 175.29 173.33 1xwq n GLY 120 N 4.37 0.68 3.92 3.09 0.00 -1.01 -4.92 105.19 111.32 1xwq n GLY 120 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1xwq n GLY 120 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xwq s VAL 121 N -3.02 2.52 -0.28 1.61 -7.23 -1.02 -4.73 120.40 108.25 1xwq s VAL 121 Ca 0.00 -0.09 -0.07 0.00 -1.81 0.00 0.00 61.98 60.01 1xwq s VAL 121 Cb 0.00 -3.11 -0.00 0.00 0.56 0.00 0.00 36.38 33.83 1xwq s VAL 121 CO 0.00 -0.13 0.07 -0.31 -0.31 0.00 0.00 175.10 174.43 1xwq s TYR 122 N -3.30 3.12 -0.13 2.82 1.51 -1.26 -0.66 117.35 119.44 1xwq s TYR 122 Ca 0.59 -0.78 -0.34 0.00 -1.01 0.00 0.00 57.07 55.54 1xwq s TYR 122 Cb -0.11 -2.25 -0.11 0.00 -0.11 0.00 0.00 41.96 39.38 1xwq s TYR 122 CO 0.46 -0.50 1.94 0.00 -1.11 0.00 0.00 175.55 176.34 1xwq n ALA 123 N 4.89 0.95 0.17 3.71 0.00 0.10 -4.14 120.51 126.19 1xwq n ALA 123 Ca -0.15 0.22 0.02 0.00 0.00 0.00 0.00 53.44 53.52 1xwq n ALA 123 Cb 0.49 -2.53 0.32 0.00 0.00 0.00 0.00 19.45 17.73 1xwq n ALA 123 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1xwq h TRP 124 N 9.92 0.00 -3.31 0.00 5.08 -0.83 -3.41 115.95 123.40 1xwq h TRP 124 Ca -0.46 0.00 -0.54 0.00 1.08 0.00 0.00 58.89 58.97 1xwq h TRP 124 Cb 1.27 0.00 -0.38 0.00 -3.00 0.00 0.00 29.16 27.05 1xwq h TRP 124 CO 0.89 0.43 -0.79 0.21 -1.28 0.00 0.00 178.44 177.91 1xwq s LYS 125 N -4.00 1.25 0.24 0.12 2.20 -1.20 -2.86 119.74 115.49 1xwq s LYS 125 Ca -0.02 -0.43 0.08 0.00 -0.36 0.00 0.00 55.97 55.24 1xwq s LYS 125 Cb 0.14 -1.89 -0.04 0.00 -1.51 0.00 0.00 37.83 34.53 1xwq s LYS 125 CO 0.73 -0.44 0.08 -0.51 -0.36 0.00 0.00 175.35 174.85 1xwq s LEU 126 N 1.70 3.47 0.09 5.43 1.02 0.10 -0.75 118.68 129.74 1xwq s LEU 126 Ca 0.01 -0.44 -0.02 0.00 0.02 0.00 0.00 54.13 53.71 1xwq s LEU 126 Cb -0.15 -2.02 -0.04 0.00 0.02 0.00 0.00 46.19 44.00 1xwq s LEU 126 CO -0.07 0.00 0.02 -0.54 0.02 0.00 0.00 176.35 175.78 1xwq s LYS 127 N -3.59 0.76 0.01 1.70 1.02 -0.55 -0.50 119.74 118.58 1xwq s LYS 127 Ca 0.31 -1.29 -0.21 0.00 0.02 0.00 0.00 55.97 54.80 1xwq s LYS 127 Cb -0.08 0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 37.41 1xwq s LYS 127 CO 0.22 -0.18 0.62 -0.51 -0.92 0.00 0.00 175.35 174.58 1xwq s LEU 128 N -2.97 4.43 0.00 3.17 1.43 -1.26 -0.97 118.68 122.51 1xwq s LEU 128 Ca 0.14 1.21 -0.13 0.00 -1.03 0.00 0.00 54.13 54.32 1xwq s LEU 128 Cb 0.08 -2.97 0.18 0.00 0.03 0.00 0.00 46.19 43.50 1xwq s LEU 128 CO -0.05 0.09 0.95 -0.46 0.23 0.00 0.00 176.35 177.11 1xwq n ASN 129 N 2.70 -0.25 0.30 2.29 0.23 0.59 -4.81 115.26 116.31 1xwq n ASN 129 Ca -0.06 -1.29 0.20 0.00 -0.53 0.00 0.00 54.58 52.90 1xwq n ASN 129 Cb 0.51 -0.74 1.05 0.00 -2.08 0.00 0.00 39.78 38.52 1xwq n ASN 129 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1xwq h GLN 130 N 0.00 0.00 -0.19 -3.83 -0.00 -1.99 0.19 115.11 109.30 1xwq h GLN 130 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.34 1xwq h GLN 130 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.36 1xwq h GLN 130 CO 0.22 0.00 0.00 0.09 -0.00 0.00 0.00 178.83 179.14 1xwq n ASN 131 N -2.88 3.21 0.00 0.06 3.02 -1.26 -4.97 115.26 112.44 1xwq n ASN 131 Ca -0.03 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.53 1xwq n ASN 131 Cb 0.09 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 1xwq n ASN 131 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwq n GLY 132 N 1.42 0.74 3.88 7.41 0.00 0.06 -5.06 105.19 113.62 1xwq n GLY 132 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1xwq n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xwq s PHE 133 N -2.15 3.58 0.36 1.61 0.08 -1.26 -4.72 117.98 115.48 1xwq s PHE 133 Ca 0.00 0.51 -0.27 0.00 0.12 0.00 0.00 56.93 57.29 1xwq s PHE 133 Cb 0.00 -1.93 -0.09 0.00 -0.57 0.00 0.00 43.02 40.43 1xwq s PHE 133 CO 0.00 0.72 1.15 0.54 -0.10 0.00 0.00 175.22 177.53 1xwq s VAL 134 N -1.05 3.27 0.11 -0.44 0.11 -1.26 -0.30 120.40 120.84 1xwq s VAL 134 Ca 0.16 1.13 -0.13 0.00 -2.93 0.00 0.00 61.98 60.21 1xwq s VAL 134 Cb -0.12 -3.67 0.02 0.00 -1.53 0.00 0.00 36.38 31.08 1xwq s VAL 134 CO 0.05 0.16 0.32 -0.72 -3.33 0.00 0.00 175.10 171.58 1xwq s TYR 135 N -1.34 -0.04 -0.24 1.54 1.13 -0.14 -4.89 117.35 113.36 1xwq s TYR 135 Ca 0.53 -0.33 -0.23 0.00 -1.41 0.00 0.00 57.07 55.63 1xwq s TYR 135 Cb -0.31 0.12 -0.01 0.00 -1.10 0.00 0.00 41.96 40.66 1xwq s TYR 135 CO 0.40 -0.65 0.76 0.15 -2.51 0.00 0.00 175.55 173.70 1xwq s LYS 136 N -3.83 4.17 -0.05 -3.49 1.02 -1.26 -1.49 119.74 114.81 1xwq s LYS 136 Ca 0.04 0.82 -0.17 0.00 0.02 0.00 0.00 55.97 56.68 1xwq s LYS 136 Cb 0.03 -3.64 -0.31 0.00 -0.52 0.00 0.00 37.83 33.39 1xwq s LYS 136 CO -0.11 -0.47 0.78 0.28 -0.92 0.00 0.00 175.35 174.92 1xwq h VAL 137 N 5.40 1.24 -3.31 3.17 2.07 -1.26 -3.46 116.25 120.11 1xwq h VAL 137 Ca -0.25 -2.53 -0.38 0.00 0.82 0.00 0.00 66.70 64.36 1xwq h VAL 137 Cb 1.11 2.97 -0.39 0.00 -1.52 0.00 0.00 31.29 33.46 1xwq h VAL 137 CO 0.84 0.75 -0.75 -0.62 0.02 0.00 0.00 177.57 177.81 1xwq s ASP 138 N -7.17 1.18 0.19 0.57 -1.08 -0.92 -5.02 116.67 104.41 1xwq s ASP 138 Ca -0.15 0.04 0.26 0.00 -0.52 0.00 0.00 52.55 52.18 1xwq s ASP 138 Cb 0.03 -0.20 0.73 0.00 -1.46 0.00 0.00 42.92 42.02 1xwq s ASP 138 CO 0.84 -0.23 1.69 -0.62 0.52 0.00 0.00 175.17 177.36 1xwq n GLU 139 N 5.22 0.26 -1.92 4.34 1.02 -1.26 -2.96 120.64 125.34 1xwq n GLU 139 Ca -0.05 0.18 -0.37 0.00 -0.02 0.00 0.00 57.16 56.90 1xwq n GLU 139 Cb 0.50 -1.77 0.04 0.00 -0.02 0.00 0.00 31.44 30.19 1xwq n GLU 139 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1xwq s GLY 140 N -3.57 2.82 0.44 0.62 0.00 -1.26 -4.00 107.32 102.36 1xwq s GLY 140 Ca 0.10 1.14 -0.09 0.00 0.00 0.00 0.00 44.72 45.87 1xwq s GLY 140 CO 0.62 1.59 0.79 2.56 0.00 0.00 0.00 173.10 178.66 1xwq s PRO 141 N -3.13 3.69 -0.51 2.90 0.04 -1.26 -0.75 135.00 135.98 1xwq s PRO 141 Ca 0.75 0.40 -0.01 0.00 0.04 0.00 0.00 61.00 62.17 1xwq s PRO 141 Cb -0.35 -2.37 0.13 0.00 0.04 0.00 0.00 34.50 31.96 1xwq s PRO 141 CO 0.39 -0.13 0.30 0.00 0.04 0.00 0.00 177.00 177.60 1xwq s ALA 142 N -2.54 3.34 0.64 8.56 0.00 -1.26 -4.84 121.76 125.66 1xwq s ALA 142 Ca 0.50 -2.94 0.30 0.00 0.00 0.00 0.00 51.96 49.82 1xwq s ALA 142 Cb -0.10 -2.45 1.64 0.00 0.00 0.00 0.00 23.12 22.21 1xwq s ALA 142 CO 0.37 -1.95 1.96 -1.35 0.00 0.00 0.00 175.76 174.79 1xwq h PRO 143 N 7.38 0.00 0.00 0.00 0.11 -1.84 0.28 132.00 137.93 1xwq h PRO 143 Ca -0.07 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1xwq h PRO 143 Cb 0.98 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1xwq h PRO 143 CO 0.69 0.00 -0.08 0.38 -0.21 0.00 0.00 178.00 178.77 1xwq h ASP 144 N 0.00 0.00 0.58 -2.05 2.03 -1.91 -1.86 116.42 113.21 1xwq h ASP 144 Ca 0.05 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.32 1xwq h ASP 144 Cb 0.72 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.22 1xwq h ASP 144 CO -0.00 0.08 -0.28 1.23 -1.03 0.00 0.00 179.24 179.25 1xwq h GLY 145 N 0.90 -0.81 0.63 7.15 0.00 -0.71 -2.16 103.07 108.08 1xwq h GLY 145 Ca -0.00 0.30 0.08 0.00 0.00 0.00 0.00 47.33 47.71 1xwq h GLY 145 CO 0.01 -0.29 0.51 0.83 0.00 0.00 0.00 176.54 177.60 1xwq h GLU 146 N -0.96 0.87 -0.22 4.80 3.07 -1.63 0.27 114.58 120.78 1xwq h GLU 146 Ca -0.08 -0.05 0.05 0.00 -0.50 0.00 0.00 59.36 58.78 1xwq h GLU 146 Cb 0.65 -0.20 -0.05 0.00 -0.84 0.00 0.00 28.75 28.31 1xwq h GLU 146 CO 0.13 0.57 -0.11 0.93 -1.40 0.00 0.00 179.01 179.13 1xwq h GLU 147 N 0.89 -0.09 -0.04 2.33 5.08 -1.34 -1.06 114.58 120.36 1xwq h GLU 147 Ca 0.39 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.64 1xwq h GLU 147 Cb 0.26 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1xwq h GLU 147 CO -0.21 -0.06 -0.50 1.88 -1.00 0.00 0.00 179.01 179.13 1xwq h TYR 148 N -0.09 0.11 -0.16 4.33 0.05 -0.88 -1.91 116.97 118.43 1xwq h TYR 148 Ca 0.12 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.86 1xwq h TYR 148 Cb 0.27 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1xwq h TYR 148 CO -0.28 0.57 0.10 0.74 -1.05 0.00 0.00 178.16 178.24 1xwq h PHE 149 N 0.08 0.21 -0.38 4.88 0.04 -0.47 0.76 116.94 122.06 1xwq h PHE 149 Ca 0.00 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1xwq h PHE 149 Cb 0.91 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.97 1xwq h PHE 149 CO 0.01 0.18 0.20 0.00 -0.60 0.00 0.00 178.31 178.09 1xwq h ALA 150 N 1.01 0.49 -0.12 2.45 0.00 -1.07 -0.32 119.26 121.70 1xwq h ALA 150 Ca 0.06 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xwq h ALA 150 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1xwq h ALA 150 CO -0.01 0.04 0.04 0.35 0.00 0.00 0.00 179.25 179.67 1xwq h PHE 151 N 0.48 0.08 -0.62 0.00 3.57 -1.22 -1.63 116.94 117.60 1xwq h PHE 151 Ca 0.13 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1xwq h PHE 151 Cb 0.09 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1xwq h PHE 151 CO -0.02 0.04 0.28 0.00 -2.23 0.00 0.00 178.31 176.38 1xwq h ALA 152 N 1.07 0.81 -0.49 2.41 0.00 -0.60 -2.62 119.26 119.84 1xwq h ALA 152 Ca 0.05 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1xwq h ALA 152 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1xwq h ALA 152 CO -0.05 0.40 -0.21 -0.07 0.00 0.00 0.00 179.25 179.32 1xwq h LEU 153 N 0.86 1.02 -0.69 0.00 3.38 -0.92 0.37 115.31 119.34 1xwq h LEU 153 Ca 0.21 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1xwq h LEU 153 Cb 0.16 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1xwq h LEU 153 CO -0.02 1.19 0.38 -0.07 0.09 0.00 0.00 178.44 180.01 1xwq h LEU 154 N 0.85 0.85 -0.71 1.67 3.38 -1.23 -0.69 115.31 119.44 1xwq h LEU 154 Ca 0.11 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1xwq h LEU 154 Cb 0.79 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1xwq h LEU 154 CO 0.07 0.70 -0.05 0.78 0.09 0.00 0.00 178.44 180.03 1xwq h ASN 155 N 0.94 0.93 -0.42 -0.43 4.21 -1.23 -2.12 115.58 117.45 1xwq h ASN 155 Ca 0.24 -0.27 -0.00 0.00 1.21 0.00 0.00 56.30 57.48 1xwq h ASN 155 Cb 0.03 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 36.96 1xwq h ASN 155 CO -0.04 1.01 0.25 0.00 -1.29 0.00 0.00 177.43 177.36 1xwq h ALA 156 N 1.08 0.54 -0.34 -0.83 0.00 -0.59 -0.48 119.26 118.64 1xwq h ALA 156 Ca 0.15 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1xwq h ALA 156 Cb 0.57 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1xwq h ALA 156 CO 0.03 0.04 0.01 1.03 0.00 0.00 0.00 179.25 180.37 1xwq h SER 157 N 0.56 -0.11 -0.79 0.00 0.87 -1.07 0.51 113.55 113.52 1xwq h SER 157 Ca 0.15 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 1xwq h SER 157 Cb 0.01 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 1xwq h SER 157 CO -0.03 -0.02 0.39 0.00 -0.53 0.00 0.00 176.83 176.64 1xwq h ALA 158 N 1.29 1.02 0.23 6.23 0.00 -1.03 -1.29 119.26 125.72 1xwq h ALA 158 Ca 0.16 -0.15 -0.33 0.00 0.00 0.00 0.00 54.91 54.59 1xwq h ALA 158 Cb 0.22 -0.31 0.03 0.00 0.00 0.00 0.00 17.79 17.72 1xwq h ALA 158 CO -0.26 0.58 -1.47 0.00 0.00 0.00 0.00 179.25 178.09 1xwq h ARG 159 N 1.12 0.49 0.00 0.00 3.08 -0.86 -3.41 114.38 114.80 1xwq h ARG 159 Ca 0.27 -0.84 0.00 0.00 0.07 0.00 0.00 59.98 59.48 1xwq h ARG 159 Cb 0.11 0.31 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1xwq h ARG 159 CO -0.04 1.40 -0.25 0.91 -1.07 0.00 0.00 179.97 180.93 1xwq n TRP 160 N -3.68 0.00 -0.24 3.04 8.01 0.15 -5.10 117.44 119.63 1xwq n TRP 160 Ca -0.16 0.00 0.03 0.00 -1.31 0.00 0.00 57.50 56.06 1xwq n TRP 160 Cb 1.09 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.31 30.38 1xwq n TRP 160 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1xwq n GLY 161 N 1.23 -1.52 0.34 6.99 0.00 -0.49 -4.79 105.19 106.95 1xwq n GLY 161 Ca 0.00 -1.47 0.08 0.00 0.00 0.00 0.00 46.02 44.63 1xwq n GLY 161 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xwq n ASN 162 N -1.81 1.86 -0.75 1.61 3.02 -1.26 -4.68 115.26 113.25 1xwq n ASN 162 Ca -0.00 -3.16 0.09 0.00 -0.03 0.00 0.00 54.58 51.47 1xwq n ASN 162 Cb 0.11 -0.43 0.10 0.00 -0.61 0.00 0.00 39.78 38.95 1xwq n ASN 162 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xwq n SER 163 N -1.10 2.63 -1.31 6.41 3.41 -1.26 -4.17 113.62 118.23 1xwq n SER 163 Ca 0.15 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 1xwq n SER 163 Cb 0.69 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1xwq n SER 163 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xwq n GLY 164 N 1.00 1.34 0.31 5.00 0.00 -1.26 -4.94 105.19 106.64 1xwq n GLY 164 Ca 0.12 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.53 1xwq n GLY 164 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xwq h GLU 165 N 0.00 0.75 -6.11 1.61 4.81 -1.98 -3.42 114.58 110.24 1xwq h GLU 165 Ca 0.00 -0.04 -0.68 0.00 -0.13 0.00 0.00 59.36 58.50 1xwq h GLU 165 Cb 0.00 -0.17 -0.25 0.00 0.63 0.00 0.00 28.75 28.96 1xwq h GLU 165 CO 0.00 0.49 -0.79 -0.06 -0.73 0.00 0.00 179.01 177.92 1xwq s PHE 166 N -6.02 2.67 -1.14 0.92 0.08 -1.26 -5.03 117.98 108.19 1xwq s PHE 166 Ca -0.12 -0.33 -0.17 0.00 0.12 0.00 0.00 56.93 56.42 1xwq s PHE 166 Cb 0.20 -1.66 0.12 0.00 -0.57 0.00 0.00 43.02 41.11 1xwq s PHE 166 CO 0.78 0.05 1.45 1.21 -0.10 0.00 0.00 175.22 178.61 1xwq s ASN 167 N -0.45 6.84 0.27 1.36 3.84 -1.26 -4.35 114.94 121.19 1xwq s ASN 167 Ca 0.05 -2.43 -0.00 0.00 0.21 0.00 0.00 52.86 50.69 1xwq s ASN 167 Cb -0.12 -2.47 0.56 0.00 -0.55 0.00 0.00 41.25 38.67 1xwq s ASN 167 CO 0.02 -1.03 1.77 1.88 -2.79 0.00 0.00 177.10 176.94 1xwq h TYR 168 N 8.00 0.82 0.01 0.43 0.05 -1.85 -1.63 116.97 122.81 1xwq h TYR 168 Ca 0.30 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 59.11 1xwq h TYR 168 Cb 0.92 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.43 1xwq h TYR 168 CO 1.23 0.20 -0.01 -0.92 -1.05 0.00 0.00 178.16 177.61 1xwq h TYR 169 N 0.65 -0.02 -0.78 4.88 3.20 -1.90 0.17 116.97 123.18 1xwq h TYR 169 Ca 0.48 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.36 1xwq h TYR 169 Cb 0.67 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.91 1xwq h TYR 169 CO -0.08 0.12 0.52 -0.97 -1.64 0.00 0.00 178.16 176.11 1xwq h ASN 170 N -0.15 0.89 -0.97 -2.11 -0.73 -1.88 -0.46 115.58 110.16 1xwq h ASN 170 Ca -0.00 -0.02 0.01 0.00 1.87 0.00 0.00 56.30 58.15 1xwq h ASN 170 Cb 0.15 -0.22 -0.05 0.00 0.27 0.00 0.00 38.32 38.47 1xwq h ASN 170 CO 0.00 0.64 0.64 0.44 -0.37 0.00 0.00 177.43 178.79 1xwq h ASP 171 N 1.05 1.12 -0.24 1.15 3.32 -1.06 -1.25 116.42 120.51 1xwq h ASP 171 Ca 0.29 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 1xwq h ASP 171 Cb -0.11 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.15 1xwq h ASP 171 CO -0.07 0.82 0.06 0.00 -1.72 0.00 0.00 179.24 178.34 1xwq h ALA 172 N 1.35 0.31 -0.62 3.45 0.00 0.24 -1.20 119.26 122.79 1xwq h ALA 172 Ca 0.36 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1xwq h ALA 172 Cb -0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1xwq h ALA 172 CO -0.08 -0.04 0.08 0.82 0.00 0.00 0.00 179.25 180.03 1xwq h ILE 173 N 0.21 1.26 -0.44 0.00 1.08 -0.93 0.32 117.51 119.01 1xwq h ILE 173 Ca 0.08 -1.04 0.02 0.00 -0.39 0.00 0.00 64.86 63.53 1xwq h ILE 173 Cb 0.26 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 1xwq h ILE 173 CO -0.00 0.38 0.25 0.74 -0.69 0.00 0.00 178.15 178.83 1xwq h THR 174 N 0.96 1.02 -0.59 -0.27 2.02 -1.16 -1.08 112.91 113.82 1xwq h THR 174 Ca 0.19 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.22 1xwq h THR 174 Cb 0.45 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1xwq h THR 174 CO 0.02 0.09 0.37 -0.03 0.37 0.00 0.00 175.52 176.34 1xwq h MET 175 N 0.50 0.72 -0.57 6.66 1.85 -0.58 -1.40 114.93 122.11 1xwq h MET 175 Ca 0.18 -0.04 -0.03 0.00 -0.61 0.00 0.00 59.70 59.20 1xwq h MET 175 Cb 0.04 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 31.88 1xwq h MET 175 CO -0.10 0.47 0.25 -0.07 -0.40 0.00 0.00 176.91 177.07 1xwq h LEU 176 N 0.74 0.76 -1.04 3.39 3.38 -0.67 -0.30 115.31 121.57 1xwq h LEU 176 Ca 0.23 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1xwq h LEU 176 Cb -0.02 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1xwq h LEU 176 CO -0.08 0.69 0.20 0.78 0.09 0.00 0.00 178.44 180.13 1xwq h ASN 177 N 0.77 0.82 -0.48 -0.43 -0.26 -1.04 -0.41 115.58 114.56 1xwq h ASN 177 Ca 0.19 -0.13 -0.03 0.00 -0.56 0.00 0.00 56.30 55.78 1xwq h ASN 177 Cb 0.15 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.18 1xwq h ASN 177 CO -0.02 0.76 0.20 0.74 -1.06 0.00 0.00 177.43 178.05 1xwq h THR 178 N 0.87 1.21 -0.15 2.81 2.02 -0.83 -0.05 112.91 118.79 1xwq h THR 178 Ca 0.20 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1xwq h THR 178 Cb 0.23 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1xwq h THR 178 CO -0.01 0.24 0.09 0.40 0.37 0.00 0.00 175.52 176.61 1xwq h ILE 179 N 0.63 1.06 -0.50 3.11 2.04 -0.65 0.07 117.51 123.27 1xwq h ILE 179 Ca 0.16 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1xwq h ILE 179 Cb 0.19 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 1xwq h ILE 179 CO -0.01 0.05 0.23 0.50 0.00 0.00 0.00 178.15 178.92 1xwq h LYS 180 N 0.18 0.44 0.00 2.37 3.64 -0.92 -0.88 116.57 121.40 1xwq h LYS 180 Ca 0.05 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 1xwq h LYS 180 Cb 0.01 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1xwq h LYS 180 CO -0.01 0.29 -1.10 -0.91 -2.27 0.00 0.00 179.45 175.45 1xwq h ASN 181 N 0.45 0.00 0.00 4.20 2.35 -0.86 -3.38 115.58 118.34 1xwq h ASN 181 Ca 0.23 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1xwq h ASN 181 Cb 0.17 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 1xwq h ASN 181 CO -0.18 0.45 -1.07 0.29 -1.65 0.00 0.00 177.43 175.27 1xwq n LYS 182 N -2.93 2.43 -0.07 0.81 4.76 -0.00 -4.84 118.16 118.32 1xwq n LYS 182 Ca -0.05 -0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.44 1xwq n LYS 182 Cb 0.76 -1.03 0.08 0.00 -1.84 0.00 0.00 35.03 33.00 1xwq n LYS 182 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1xwq n LEU 183 N -1.86 2.03 -4.26 -0.35 4.77 -0.35 -4.63 117.00 112.35 1xwq n LEU 183 Ca -0.01 -2.52 -0.25 0.00 -0.03 0.00 0.00 56.01 53.19 1xwq n LEU 183 Cb 0.35 -0.25 -0.14 0.00 -2.33 0.00 0.00 43.42 41.05 1xwq n LEU 183 CO 0.02 0.59 -0.52 -0.04 -1.33 0.00 0.00 177.39 176.12 1xwq s MET 184 N -2.02 1.36 -0.10 3.23 -1.94 -1.10 -0.70 119.30 118.04 1xwq s MET 184 Ca 0.19 -0.98 0.01 0.00 -1.71 0.00 0.00 55.69 53.19 1xwq s MET 184 Cb 0.16 -1.50 0.02 0.00 2.01 0.00 0.00 34.83 35.52 1xwq s MET 184 CO 0.02 0.38 -0.09 -2.00 -0.01 0.00 0.00 175.02 173.31 1xwq s GLU 185 N -1.29 1.60 -1.61 2.03 2.12 -0.20 -4.83 118.70 116.51 1xwq s GLU 185 Ca 0.07 -0.31 -0.11 0.00 0.36 0.00 0.00 54.97 54.98 1xwq s GLU 185 Cb -0.09 -1.53 0.10 0.00 0.26 0.00 0.00 34.13 32.87 1xwq s GLU 185 CO 0.02 -0.17 0.57 0.09 -0.54 0.00 0.00 175.26 175.24 1xwq n ASN 186 N 4.55 -1.80 -1.59 -1.70 3.02 -1.26 -0.68 115.26 115.80 1xwq n ASN 186 Ca -0.16 -1.06 -0.18 0.00 -0.03 0.00 0.00 54.58 53.14 1xwq n ASN 186 Cb 0.51 -2.61 -0.06 0.00 -0.61 0.00 0.00 39.78 37.00 1xwq n ASN 186 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xwq n GLN 187 N -4.39 -1.33 -4.98 3.52 6.02 -1.26 -5.00 117.38 109.96 1xwq n GLN 187 Ca -0.08 1.08 -0.32 0.00 -0.01 0.00 0.00 57.00 57.67 1xwq n GLN 187 Cb 0.57 -5.43 -0.15 0.00 1.02 0.00 0.00 30.24 26.25 1xwq n GLN 187 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xwq s ILE 188 N -2.74 2.64 0.23 5.09 1.01 0.15 -4.61 121.20 122.96 1xwq s ILE 188 Ca 0.00 -0.82 -0.32 0.00 0.00 0.00 0.00 60.65 59.51 1xwq s ILE 188 Cb 0.00 -2.06 -0.13 0.00 0.01 0.00 0.00 42.46 40.28 1xwq s ILE 188 CO 0.00 0.55 1.56 0.00 0.00 0.00 0.00 174.94 177.05 1xwq n ILE 189 N 3.33 0.58 -2.92 2.92 0.13 -1.26 -1.04 119.36 121.11 1xwq n ILE 189 Ca -0.18 -0.15 -0.34 0.00 -1.10 0.00 0.00 62.75 60.98 1xwq n ILE 189 Cb 0.53 -1.73 -0.07 0.00 -0.84 0.00 0.00 39.64 37.53 1xwq n ILE 189 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 1xwq s ARG 190 N 0.15 4.23 0.10 9.51 0.52 0.13 -4.54 118.95 129.05 1xwq s ARG 190 Ca 0.71 1.02 -0.10 0.00 -0.52 0.00 0.00 55.73 56.83 1xwq s ARG 190 Cb -0.58 -2.41 -0.17 0.00 0.52 0.00 0.00 34.95 32.31 1xwq s ARG 190 CO 0.43 0.11 1.25 0.35 0.02 0.00 0.00 175.30 177.46 1xwq h PHE 191 N 2.34 0.91 -2.97 -0.53 3.57 -1.81 -3.42 116.94 115.03 1xwq h PHE 191 Ca -0.48 -0.47 -0.16 0.00 3.53 0.00 0.00 57.97 60.39 1xwq h PHE 191 Cb 1.18 -0.11 -0.26 0.00 2.79 0.00 0.00 35.95 39.55 1xwq h PHE 191 CO 0.62 1.30 -0.38 0.45 -2.23 0.00 0.00 178.31 178.07 1xwq s SER 192 N -7.19 -0.33 0.65 0.41 0.15 -1.26 -4.70 113.70 101.43 1xwq s SER 192 Ca -0.09 0.62 0.35 0.00 0.70 0.00 0.00 55.95 57.54 1xwq s SER 192 Cb 0.08 0.59 1.94 0.00 -1.71 0.00 0.00 66.02 66.92 1xwq s SER 192 CO 0.90 -0.13 2.13 -0.65 1.20 0.00 0.00 173.24 176.69 1xwq h PRO 193 N 6.16 0.00 -0.03 5.44 0.11 -1.92 -3.03 132.00 138.74 1xwq h PRO 193 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1xwq h PRO 193 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xwq h PRO 193 CO 0.33 0.00 -0.02 0.66 -0.21 0.00 0.00 178.00 178.76 1xwq n TYR 194 N -3.16 0.00 -4.23 0.65 4.01 -1.26 -4.86 117.16 108.31 1xwq n TYR 194 Ca -0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 1xwq n TYR 194 Cb 0.26 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.13 1xwq n TYR 194 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1xwq s ILE 195 N -1.94 0.59 0.32 -0.72 1.01 -1.14 -5.15 121.20 114.17 1xwq s ILE 195 Ca 0.27 -0.20 0.06 0.00 0.00 0.00 0.00 60.65 60.78 1xwq s ILE 195 Cb 0.19 -0.57 -0.01 0.00 0.01 0.00 0.00 42.46 42.08 1xwq s ILE 195 CO 0.30 0.22 0.46 -1.81 0.00 0.00 0.00 174.94 174.10 1xwq s ASP 196 N 0.60 6.00 -1.46 3.58 1.01 -1.26 -4.51 116.67 120.63 1xwq s ASP 196 Ca -0.08 -0.17 -0.08 0.00 0.71 0.00 0.00 52.55 52.93 1xwq s ASP 196 Cb -0.12 -1.29 0.05 0.00 1.01 0.00 0.00 42.92 42.58 1xwq s ASP 196 CO 0.00 -0.39 0.82 -3.20 0.21 0.00 0.00 175.17 172.61 1xwq n ASN 197 N -1.61 -3.05 -3.69 0.27 5.15 -1.26 -4.98 115.26 106.09 1xwq n ASN 197 Ca -0.01 -0.83 -0.16 0.00 -0.60 0.00 0.00 54.58 52.98 1xwq n ASN 197 Cb 0.58 -3.78 -0.15 0.00 -0.53 0.00 0.00 39.78 35.90 1xwq n ASN 197 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1xwq s LEU 198 N -7.05 0.10 0.35 1.20 2.96 -1.26 -4.21 118.68 110.76 1xwq s LEU 198 Ca 0.38 0.35 0.03 0.00 -0.22 0.00 0.00 54.13 54.68 1xwq s LEU 198 Cb -0.19 0.34 -0.05 0.00 0.50 0.00 0.00 46.19 46.79 1xwq s LEU 198 CO 0.84 -0.22 0.08 0.28 -1.32 0.00 0.00 176.35 176.01 1xwq s THR 199 N 2.02 0.93 -0.26 3.68 -1.32 0.12 -2.55 115.64 118.25 1xwq s THR 199 Ca -0.00 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.48 1xwq s THR 199 Cb -0.12 -2.61 0.07 0.00 -1.51 0.00 0.00 72.50 68.34 1xwq s THR 199 CO -0.06 0.00 -0.00 -0.62 -2.21 0.00 0.00 174.62 171.73 1xwq s ASP 200 N -3.53 3.93 0.39 8.08 -1.08 -1.26 -1.17 116.67 122.03 1xwq s ASP 200 Ca 0.31 -1.37 0.21 0.00 -0.52 0.00 0.00 52.55 51.18 1xwq s ASP 200 Cb 0.06 -1.13 1.22 0.00 -1.46 0.00 0.00 42.92 41.61 1xwq s ASP 200 CO 0.15 -0.30 1.67 -0.65 0.52 0.00 0.00 175.17 176.56 1xwq h PRO 201 N 7.96 0.24 0.00 4.34 0.11 -1.77 0.16 132.00 143.04 1xwq h PRO 201 Ca -0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1xwq h PRO 201 Cb 1.06 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1xwq h PRO 201 CO 0.43 0.16 0.00 0.66 -0.21 0.00 0.00 178.00 179.04 1xwq h SER 202 N 0.25 0.00 1.30 -2.05 4.64 -1.85 -1.28 113.55 114.55 1xwq h SER 202 Ca 0.73 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.05 1xwq h SER 202 Cb 1.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.05 1xwq h SER 202 CO -0.47 0.00 -0.01 -1.22 -0.87 0.00 0.00 176.83 174.25 1xwq n TYR 203 N -2.87 0.60 -2.79 4.77 4.02 0.56 -4.80 117.16 116.66 1xwq n TYR 203 Ca -0.02 0.17 -0.43 0.00 -0.01 0.00 0.00 57.90 57.62 1xwq n TYR 203 Cb 0.12 -0.78 -0.04 0.00 -0.02 0.00 0.00 39.34 38.63 1xwq n TYR 203 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1xwq s HIS 204 N -3.07 2.95 -0.52 -0.72 3.76 -0.49 -4.91 115.29 112.30 1xwq s HIS 204 Ca 0.12 0.54 0.04 0.00 -0.15 0.00 0.00 55.06 55.61 1xwq s HIS 204 Cb 0.15 -3.94 0.16 0.00 1.11 0.00 0.00 32.58 30.06 1xwq s HIS 204 CO 0.58 -1.04 0.36 0.42 -0.85 0.00 0.00 174.74 174.20 1xwq s ILE 205 N 3.77 1.49 0.33 0.60 1.09 -1.26 -4.85 121.20 122.36 1xwq s ILE 205 Ca 0.39 -3.15 0.07 0.00 -1.10 0.00 0.00 60.65 56.86 1xwq s ILE 205 Cb -0.10 -2.01 0.31 0.00 -1.06 0.00 0.00 42.46 39.60 1xwq s ILE 205 CO 0.25 -1.06 1.84 -0.65 -0.10 0.00 0.00 174.94 175.22 1xwq h PRO 206 N 5.89 0.74 -0.44 2.79 0.11 -1.89 -1.17 132.00 138.03 1xwq h PRO 206 Ca 0.14 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 1xwq h PRO 206 Cb 0.86 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.78 1xwq h PRO 206 CO 0.52 0.49 0.26 0.00 -0.21 0.00 0.00 178.00 179.06 1xwq h ALA 207 N 1.59 1.63 -0.90 -0.75 0.00 -1.92 -1.50 119.26 117.41 1xwq h ALA 207 Ca 0.49 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.38 1xwq h ALA 207 Cb 0.74 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1xwq h ALA 207 CO -0.26 0.32 0.59 0.74 0.00 0.00 0.00 179.25 180.65 1xwq h PHE 208 N 0.60 1.09 -0.17 0.00 -1.00 -1.64 -1.19 116.94 114.62 1xwq h PHE 208 Ca 0.16 0.03 -0.18 0.00 2.81 0.00 0.00 57.97 60.79 1xwq h PHE 208 Cb -0.01 -0.36 -0.00 0.00 3.61 0.00 0.00 35.95 39.18 1xwq h PHE 208 CO 0.00 0.62 -0.62 1.88 -1.61 0.00 0.00 178.31 178.58 1xwq h TYR 209 N 1.12 0.78 -0.77 -0.55 0.05 -1.33 0.14 116.97 116.42 1xwq h TYR 209 Ca 0.36 -0.30 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1xwq h TYR 209 Cb 0.03 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.60 1xwq h TYR 209 CO -0.00 1.07 0.43 -0.44 -1.05 0.00 0.00 178.16 178.16 1xwq h ASP 210 N 0.45 0.96 -0.40 3.88 3.32 -1.23 -0.42 116.42 122.99 1xwq h ASP 210 Ca -0.01 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1xwq h ASP 210 Cb 1.20 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 1xwq h ASP 210 CO 0.12 0.78 0.21 0.22 -1.72 0.00 0.00 179.24 178.85 1xwq h TYR 211 N 1.07 0.55 -0.37 4.55 3.20 -0.91 -2.34 116.97 122.72 1xwq h TYR 211 Ca 0.27 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.18 1xwq h TYR 211 Cb 0.03 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.07 1xwq h TYR 211 CO 0.00 0.44 0.05 0.74 -1.64 0.00 0.00 178.16 177.75 1xwq h PHE 212 N 0.51 0.08 -0.91 -3.82 0.04 -0.40 -2.47 116.94 109.97 1xwq h PHE 212 Ca 0.14 0.02 0.13 0.00 2.80 0.00 0.00 57.97 61.06 1xwq h PHE 212 Cb 0.08 0.02 -0.09 0.00 2.20 0.00 0.00 35.95 38.16 1xwq h PHE 212 CO -0.02 -0.01 0.53 0.00 -0.60 0.00 0.00 178.31 178.21 1xwq h ALA 213 N 1.29 1.36 0.00 2.45 0.00 -0.83 -1.09 119.26 122.45 1xwq h ALA 213 Ca 0.18 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1xwq h ALA 213 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xwq h ALA 213 CO -0.25 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.16 1xwq n ASN 214 N -4.74 0.00 -0.03 0.00 3.02 -0.90 -3.70 115.26 108.90 1xwq n ASN 214 Ca 0.17 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1xwq n ASN 214 Cb 0.38 -0.25 0.01 0.00 -0.61 0.00 0.00 39.78 39.30 1xwq n ASN 214 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xwq n ASN 215 N -1.25 1.61 -4.96 6.41 3.02 -0.45 -4.87 115.26 114.77 1xwq n ASN 215 Ca 0.15 -1.56 -0.23 0.00 -0.03 0.00 0.00 54.58 52.90 1xwq n ASN 215 Cb 0.22 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.36 1xwq n ASN 215 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xwq s VAL 216 N -0.58 5.24 -0.17 2.41 -7.23 -0.96 -5.02 120.40 114.09 1xwq s VAL 216 Ca 0.01 -0.77 0.11 0.00 -1.81 0.00 0.00 61.98 59.51 1xwq s VAL 216 Cb 0.01 -3.82 -0.23 0.00 0.56 0.00 0.00 36.38 32.90 1xwq s VAL 216 CO 0.01 -0.30 0.15 0.35 -0.31 0.00 0.00 175.10 175.00 1xwq n THR 217 N -1.20 1.50 -3.18 5.32 -2.24 -1.26 -4.84 114.28 108.37 1xwq n THR 217 Ca -0.07 -0.76 -0.35 0.00 -2.27 0.00 0.00 64.05 60.60 1xwq n THR 217 Cb 0.56 -0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 67.79 1xwq n THR 217 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xwq s ASN 218 N -6.01 6.94 0.17 3.42 2.20 -1.26 -4.97 114.94 115.42 1xwq s ASN 218 Ca -0.16 1.29 -0.15 0.00 -0.94 0.00 0.00 52.86 52.90 1xwq s ASN 218 Cb 0.07 -2.37 0.11 0.00 -2.00 0.00 0.00 41.25 37.06 1xwq s ASN 218 CO 0.77 0.01 1.74 -0.61 -2.94 0.00 0.00 177.10 176.06 1xwq h GLN 219 N 3.25 0.25 -0.75 3.55 4.15 -1.99 -1.67 115.11 121.89 1xwq h GLN 219 Ca -0.48 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 58.99 1xwq h GLN 219 Cb 1.19 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.76 1xwq h GLN 219 CO 0.66 0.16 0.44 0.00 -1.93 0.00 0.00 178.83 178.15 1xwq h ALA 220 N 1.30 1.02 -0.02 3.38 0.00 -1.99 -1.60 119.26 121.34 1xwq h ALA 220 Ca 0.20 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 1xwq h ALA 220 Cb 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xwq h ALA 220 CO -0.23 0.13 -0.84 -0.44 0.00 0.00 0.00 179.25 177.86 1xwq h ASP 221 N 0.79 0.41 -0.19 0.00 3.32 -1.88 -0.27 116.42 118.59 1xwq h ASP 221 Ca 0.33 -0.31 0.04 0.00 0.02 0.00 0.00 57.03 57.12 1xwq h ASP 221 Cb 0.20 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1xwq h ASP 221 CO -0.19 1.08 -0.03 0.11 -1.72 0.00 0.00 179.24 178.49 1xwq h LYS 222 N 0.20 0.02 -0.56 3.56 1.57 -0.96 -1.88 116.57 118.52 1xwq h LYS 222 Ca -0.05 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 1xwq h LYS 222 Cb 1.45 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.74 1xwq h LYS 222 CO 0.14 0.01 0.02 -0.91 -0.57 0.00 0.00 179.45 178.14 1xwq h ASN 223 N 0.02 0.91 -0.01 0.86 4.21 -1.20 -2.59 115.58 117.79 1xwq h ASN 223 Ca 0.09 -0.24 0.03 0.00 1.21 0.00 0.00 56.30 57.39 1xwq h ASN 223 Cb 0.13 -0.24 -0.04 0.00 -1.12 0.00 0.00 38.32 37.05 1xwq h ASN 223 CO -0.18 0.96 -0.19 0.22 -1.29 0.00 0.00 177.43 176.95 1xwq h TYR 224 N 0.87 -0.51 -0.03 1.19 3.20 -0.75 -1.56 116.97 119.40 1xwq h TYR 224 Ca 0.16 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.93 1xwq h TYR 224 Cb 0.49 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 1xwq h TYR 224 CO 0.03 -0.28 -0.56 -1.49 -1.64 0.00 0.00 178.16 174.23 1xwq h TRP 225 N -0.31 0.10 -0.43 -3.82 4.06 -1.29 -1.34 115.95 112.92 1xwq h TRP 225 Ca 0.06 -0.04 -0.09 0.00 2.06 0.00 0.00 58.89 60.88 1xwq h TRP 225 Cb 0.39 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.51 1xwq h TRP 225 CO -0.24 0.62 -0.11 0.00 -3.56 0.00 0.00 178.44 175.15 1xwq h ARG 226 N 0.06 0.78 -0.43 0.49 3.08 -1.30 -1.16 114.38 115.90 1xwq h ARG 226 Ca -0.00 -0.25 -0.11 0.00 0.07 0.00 0.00 59.98 59.68 1xwq h ARG 226 Cb 1.01 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 1xwq h ARG 226 CO 0.08 0.85 -0.17 1.96 -1.07 0.00 0.00 179.97 181.62 1xwq h GLN 227 N 0.70 0.81 -0.80 0.04 4.20 -0.88 -2.05 115.11 117.14 1xwq h GLN 227 Ca 0.12 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 1xwq h GLN 227 Cb 0.58 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 1xwq h GLN 227 CO 0.04 0.93 0.42 0.28 -0.67 0.00 0.00 178.83 179.83 1xwq h VAL 228 N 0.72 1.24 -0.17 -0.54 2.07 -0.97 -0.95 116.25 117.65 1xwq h VAL 228 Ca 0.11 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1xwq h VAL 228 Cb 0.68 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1xwq h VAL 228 CO 0.05 0.28 0.10 0.00 0.02 0.00 0.00 177.57 178.02 1xwq h ALA 229 N 1.22 0.22 -0.52 1.67 0.00 -0.99 -0.98 119.26 119.88 1xwq h ALA 229 Ca 0.28 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1xwq h ALA 229 Cb 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1xwq h ALA 229 CO -0.04 -0.26 0.18 1.15 0.00 0.00 0.00 179.25 180.27 1xwq h THR 230 N 0.19 1.23 0.00 0.00 2.02 -1.23 -2.02 112.91 113.09 1xwq h THR 230 Ca 0.06 -0.74 -0.07 0.00 0.77 0.00 0.00 66.41 66.44 1xwq h THR 230 Cb 0.04 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1xwq h THR 230 CO -0.01 0.28 -0.31 0.11 0.37 0.00 0.00 175.52 175.95 1xwq h LYS 231 N 0.70 0.00 -0.08 6.66 1.57 -1.06 -1.26 116.57 123.10 1xwq h LYS 231 Ca 0.17 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.82 1xwq h LYS 231 Cb 0.25 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.57 1xwq h LYS 231 CO -0.01 0.31 -0.45 1.03 -0.57 0.00 0.00 179.45 179.76 1xwq h SER 232 N 0.00 0.53 -0.65 0.86 0.87 -0.94 0.46 113.55 114.68 1xwq h SER 232 Ca -0.00 -0.66 0.03 0.00 -1.23 0.00 0.00 61.79 59.93 1xwq h SER 232 Cb 0.63 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.39 1xwq h SER 232 CO 0.04 1.11 0.40 0.03 -0.53 0.00 0.00 176.83 177.88 1xwq h ARG 233 N -0.00 0.75 -0.28 2.24 3.08 -1.22 0.16 114.38 119.11 1xwq h ARG 233 Ca -0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1xwq h ARG 233 Cb 1.11 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 1xwq h ARG 233 CO 0.09 0.50 0.18 1.15 -1.07 0.00 0.00 179.97 180.82 1xwq h THR 234 N 0.78 1.07 -0.12 2.04 2.02 -1.17 0.28 112.91 117.80 1xwq h THR 234 Ca 0.26 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.34 1xwq h THR 234 Cb 0.04 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1xwq h THR 234 CO -0.11 0.07 -0.12 0.25 0.37 0.00 0.00 175.52 175.98 1xwq h LEU 235 N 0.37 -0.37 -0.48 2.58 7.12 -0.52 0.18 115.31 124.20 1xwq h LEU 235 Ca 0.10 0.07 -0.03 0.00 0.13 0.00 0.00 57.88 58.16 1xwq h LEU 235 Cb -0.04 0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.25 1xwq h LEU 235 CO -0.02 -0.16 0.20 -0.07 -0.13 0.00 0.00 178.44 178.26 1xwq h LEU 236 N -0.14 0.66 -0.15 2.25 3.38 -0.72 0.11 115.31 120.70 1xwq h LEU 236 Ca 0.09 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1xwq h LEU 236 Cb 0.26 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1xwq h LEU 236 CO -0.21 0.64 -0.15 0.11 0.09 0.00 0.00 178.44 178.92 1xwq h LYS 237 N 0.64 -0.16 -0.46 1.13 1.57 -0.18 -0.68 116.57 118.42 1xwq h LYS 237 Ca 0.16 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1xwq h LYS 237 Cb 0.18 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1xwq h LYS 237 CO -0.01 -0.11 0.25 -0.91 -0.57 0.00 0.00 179.45 178.10 1xwq h ASN 238 N -0.17 0.39 -0.45 0.86 2.35 -0.36 -1.10 115.58 117.11 1xwq h ASN 238 Ca 0.10 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1xwq h ASN 238 Cb 0.32 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1xwq h ASN 238 CO -0.25 0.28 0.29 -0.74 -1.65 0.00 0.00 177.43 175.36 1xwq h HIS 239 N 0.50 0.55 -0.26 1.19 2.76 -0.52 -1.35 115.15 118.02 1xwq h HIS 239 Ca 0.19 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.27 1xwq h HIS 239 Cb 0.06 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 1xwq h HIS 239 CO -0.08 0.34 -0.27 0.74 -1.30 0.00 0.00 177.93 177.36 1xwq h PHE 240 N 0.60 0.59 -0.43 5.26 0.04 -0.89 -0.77 116.94 121.33 1xwq h PHE 240 Ca 0.17 -0.13 0.02 0.00 2.80 0.00 0.00 57.97 60.82 1xwq h PHE 240 Cb -0.06 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 37.92 1xwq h PHE 240 CO -0.05 0.74 0.26 1.15 -0.60 0.00 0.00 178.31 179.82 1xwq h THR 241 N 0.46 1.06 -0.02 -1.55 2.02 -0.94 -2.19 112.91 111.75 1xwq h THR 241 Ca 0.06 -0.18 -0.12 0.00 0.77 0.00 0.00 66.41 66.94 1xwq h THR 241 Cb 0.71 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1xwq h THR 241 CO 0.05 0.10 -0.55 0.11 0.37 0.00 0.00 175.52 175.60 1xwq h LYS 242 N 0.53 0.05 -0.00 6.66 1.57 -0.75 -2.86 116.57 121.77 1xwq h LYS 242 Ca 0.17 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1xwq h LYS 242 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1xwq h LYS 242 CO -0.07 0.60 -0.23 1.33 -0.57 0.00 0.00 179.45 180.51 1xwq n VAL 243 N -3.89 0.00 -2.15 0.50 0.24 -0.34 -4.75 118.33 107.94 1xwq n VAL 243 Ca -0.02 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.34 61.82 1xwq n VAL 243 Cb 0.57 0.06 -0.03 0.00 -1.47 0.00 0.00 33.84 32.97 1xwq n VAL 243 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1xwq s SER 244 N -2.69 6.81 0.91 -1.34 0.15 -0.83 -0.00 113.70 116.72 1xwq s SER 244 Ca 0.21 2.47 0.00 0.00 0.70 0.00 0.00 55.95 59.33 1xwq s SER 244 Cb 0.19 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1xwq s SER 244 CO 0.55 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1xwq n GLY 245 N 2.56 0.75 3.77 9.45 0.00 -1.26 -4.71 105.19 115.75 1xwq n GLY 245 Ca 0.07 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 1xwq n GLY 245 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xwq s SER 246 N -4.00 6.39 0.00 1.61 0.15 -1.26 0.16 113.70 116.75 1xwq s SER 246 Ca 0.00 2.75 0.24 0.00 0.70 0.00 0.00 55.95 59.63 1xwq s SER 246 Cb 0.00 -2.65 0.22 0.00 -1.71 0.00 0.00 66.02 61.89 1xwq s SER 246 CO 0.00 -0.81 1.24 -0.81 1.20 0.00 0.00 173.24 174.06 1xwq n PRO 247 N 0.31 1.40 0.06 5.44 -0.04 -1.26 -4.84 135.00 136.06 1xwq n PRO 247 Ca 0.03 -1.10 0.12 0.00 -0.04 0.00 0.00 63.50 62.50 1xwq n PRO 247 Cb 0.42 -1.48 0.20 0.00 -0.04 0.00 0.00 33.50 32.61 1xwq n PRO 247 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1xwq n HIS 248 N 0.16 0.51 -3.82 0.54 8.25 -0.99 -4.09 115.22 115.79 1xwq n HIS 248 Ca 0.11 0.15 -0.25 0.00 -0.26 0.00 0.00 57.72 57.47 1xwq n HIS 248 Cb 0.47 -0.63 0.02 0.00 1.12 0.00 0.00 29.99 30.98 1xwq n HIS 248 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1xwq n TRP 249 N -2.04 -2.05 -1.00 4.41 7.02 0.12 -3.58 117.44 120.33 1xwq n TRP 249 Ca 0.04 0.86 0.00 0.00 -1.02 0.00 0.00 57.50 57.38 1xwq n TRP 249 Cb 0.43 -4.15 0.00 0.00 -2.42 0.00 0.00 31.31 25.16 1xwq n TRP 249 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1xwq n ASN 250 N -2.96 -3.01 -4.57 -0.99 3.02 1.00 -4.85 115.26 102.91 1xwq n ASN 250 Ca -0.16 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.05 1xwq n ASN 250 Cb 0.61 -0.64 -0.11 0.00 -0.61 0.00 0.00 39.78 39.03 1xwq n ASN 250 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xwq s LEU 251 N 0.00 3.37 0.83 3.41 1.43 -1.23 -3.58 118.68 122.91 1xwq s LEU 251 Ca 0.00 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 1xwq s LEU 251 Cb 0.00 -1.79 0.09 0.00 0.03 0.00 0.00 46.19 44.52 1xwq s LEU 251 CO 0.00 0.26 1.09 -2.16 0.23 0.00 0.00 176.35 175.77 1xwq s PRO 252 N -0.16 1.78 0.38 1.29 0.04 -1.26 -4.89 135.00 132.19 1xwq s PRO 252 Ca 0.04 0.77 0.08 0.00 0.04 0.00 0.00 61.00 61.93 1xwq s PRO 252 Cb -0.13 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 1xwq s PRO 252 CO 0.02 -1.86 0.02 0.95 0.04 0.00 0.00 177.00 176.17 1xwq s THR 253 N -3.04 2.24 0.12 1.26 -4.23 -1.26 -4.17 115.64 106.56 1xwq s THR 253 Ca 0.62 -1.98 -0.26 0.00 -1.18 0.00 0.00 61.69 58.89 1xwq s THR 253 Cb -0.16 -2.88 -0.05 0.00 1.34 0.00 0.00 72.50 70.75 1xwq s THR 253 CO 0.56 -0.08 1.63 0.15 -0.54 0.00 0.00 174.62 176.34 1xwq h PHE 254 N 1.77 -0.70 -3.99 3.99 3.57 -0.52 -3.40 116.94 117.66 1xwq h PHE 254 Ca -0.43 0.02 -0.55 0.00 3.53 0.00 0.00 57.97 60.55 1xwq h PHE 254 Cb 1.25 0.31 -0.23 0.00 2.79 0.00 0.00 35.95 40.07 1xwq h PHE 254 CO 0.71 -0.35 -0.82 -0.51 -2.23 0.00 0.00 178.31 175.11 1xwq s LEU 255 N -10.36 2.26 0.00 0.59 1.43 -0.48 -4.03 118.68 108.10 1xwq s LEU 255 Ca -0.15 -0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 52.27 1xwq s LEU 255 Cb 0.09 -0.86 -0.00 0.00 0.03 0.00 0.00 46.19 45.45 1xwq s LEU 255 CO 0.66 0.07 0.08 -0.55 0.23 0.00 0.00 176.35 176.84 1xwq s SER 256 N -1.69 0.07 0.81 2.29 0.15 -0.31 -1.58 113.70 113.43 1xwq s SER 256 Ca 0.06 -0.22 -0.11 0.00 0.70 0.00 0.00 55.95 56.37 1xwq s SER 256 Cb -0.10 0.17 0.08 0.00 -1.71 0.00 0.00 66.02 64.46 1xwq s SER 256 CO 0.03 -0.29 1.09 -0.13 1.20 0.00 0.00 173.24 175.15 1xwq s ARG 257 N -1.14 1.98 0.14 5.44 1.81 0.13 -0.71 118.95 126.60 1xwq s ARG 257 Ca -0.12 0.70 0.17 0.00 -1.72 0.00 0.00 55.73 54.75 1xwq s ARG 257 Cb -0.07 -1.90 0.73 0.00 -0.45 0.00 0.00 34.95 33.26 1xwq s ARG 257 CO 0.01 -1.71 1.51 1.28 -0.68 0.00 0.00 175.30 175.71 1xwq n LEU 258 N -3.50 0.31 -0.78 2.53 4.77 -1.26 -0.98 117.00 118.10 1xwq n LEU 258 Ca 0.07 0.59 0.11 0.00 -0.03 0.00 0.00 56.01 56.76 1xwq n LEU 258 Cb 0.56 -0.57 0.31 0.00 -2.33 0.00 0.00 43.42 41.38 1xwq n LEU 258 CO 0.56 -0.49 0.74 -0.90 -1.33 0.00 0.00 177.39 175.97 1xwq n ASP 259 N -1.87 2.33 0.00 -1.43 5.75 -1.26 -4.88 116.55 115.19 1xwq n ASP 259 Ca 0.02 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 1xwq n ASP 259 Cb 0.15 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1xwq n ASP 259 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xwq n GLY 260 N 1.27 0.74 3.68 6.12 0.00 -0.15 -4.60 105.19 112.25 1xwq n GLY 260 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1xwq n GLY 260 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xwq s SER 261 N -2.69 6.64 0.28 1.61 0.01 -1.25 -4.04 113.70 114.26 1xwq s SER 261 Ca 0.00 2.42 -0.30 0.00 1.31 0.00 0.00 55.95 59.38 1xwq s SER 261 Cb 0.00 -2.56 -0.13 0.00 0.21 0.00 0.00 66.02 63.54 1xwq s SER 261 CO 0.00 -0.88 1.35 -2.65 0.41 0.00 0.00 173.24 171.47 1xwq n PRO 262 N 5.81 2.05 -2.44 12.44 -0.02 -1.26 0.22 135.00 151.80 1xwq n PRO 262 Ca 0.16 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.94 1xwq n PRO 262 Cb 0.41 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 1xwq n PRO 262 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xwq s VAL 263 N -0.48 4.15 -0.25 -1.45 1.01 -0.62 -4.76 120.40 118.00 1xwq s VAL 263 Ca 0.63 1.52 -0.15 0.00 0.00 0.00 0.00 61.98 63.98 1xwq s VAL 263 Cb -0.62 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 1xwq s VAL 263 CO 0.55 0.06 0.36 -0.63 0.00 0.00 0.00 175.10 175.44 1xwq s ILE 264 N 1.59 5.20 0.00 2.22 -1.09 -1.26 -0.37 121.20 127.50 1xwq s ILE 264 Ca 0.57 0.56 0.00 0.00 -2.23 0.00 0.00 60.65 59.56 1xwq s ILE 264 Cb -0.27 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 1xwq s ILE 264 CO 0.26 0.21 0.00 0.61 -1.23 0.00 0.00 174.94 174.79 1xwq n GLY 265 N 4.42 0.38 3.84 6.18 0.00 -1.26 -4.79 105.19 113.96 1xwq n GLY 265 Ca -0.09 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 1xwq n GLY 265 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xwq s TYR 266 N 0.00 3.70 0.00 1.61 2.02 -1.26 -1.15 117.35 122.26 1xwq s TYR 266 Ca 0.00 0.94 0.00 0.00 -0.37 0.00 0.00 57.07 57.64 1xwq s TYR 266 Cb 0.00 -2.25 0.00 0.00 -0.40 0.00 0.00 41.96 39.31 1xwq s TYR 266 CO 0.00 0.62 0.00 0.44 -1.57 0.00 0.00 175.55 175.04 1xwq n ILE 267 N 1.64 0.00 -3.78 2.71 -5.35 -1.26 -5.04 119.36 108.28 1xwq n ILE 267 Ca -0.13 -0.19 -0.13 0.00 -0.27 0.00 0.00 62.75 62.03 1xwq n ILE 267 Cb 0.52 0.85 -0.09 0.00 -1.74 0.00 0.00 39.64 39.19 1xwq n ILE 267 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 1xwq s PHE 268 N -0.56 -0.14 0.07 4.28 -0.12 -1.26 -5.12 117.98 115.13 1xwq s PHE 268 Ca 0.00 0.19 -0.31 0.00 -0.05 0.00 0.00 56.93 56.77 1xwq s PHE 268 Cb 0.00 0.07 -0.08 0.00 -0.63 0.00 0.00 43.02 42.38 1xwq s PHE 268 CO 0.00 -0.37 1.67 -0.80 -0.05 0.00 0.00 175.22 175.67 1xwq s ASN 269 N -1.32 6.59 0.00 1.98 0.02 -1.26 -2.44 114.94 118.51 1xwq s ASN 269 Ca -0.14 2.50 0.00 0.00 -1.02 0.00 0.00 52.86 54.20 1xwq s ASN 269 Cb -0.06 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.65 1xwq s ASN 269 CO 0.04 -0.90 0.00 0.61 0.02 0.00 0.00 177.10 176.87 1xwq n GLY 270 N 4.02 0.36 3.68 0.66 0.00 -1.26 -5.07 105.19 107.58 1xwq n GLY 270 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 1xwq n GLY 270 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1xwq n GLN 271 N -1.53 2.40 -0.09 1.61 7.27 -1.02 -4.92 117.38 121.10 1xwq n GLN 271 Ca 0.00 0.87 -0.14 0.00 0.07 0.00 0.00 57.00 57.80 1xwq n GLN 271 Cb 0.00 -2.69 -0.04 0.00 2.41 0.00 0.00 30.24 29.92 1xwq n GLN 271 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xwq h ALA 272 N 6.92 0.45 -2.54 1.69 0.00 -1.97 -3.47 119.26 120.34 1xwq h ALA 272 Ca -0.45 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 53.91 1xwq h ALA 272 Cb 1.24 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.78 1xwq h ALA 272 CO 0.92 0.56 -0.38 -0.80 0.00 0.00 0.00 179.25 179.55 1xwq s ASN 273 N -6.74 0.07 0.43 0.00 0.01 -1.26 -5.14 114.94 102.31 1xwq s ASN 273 Ca -0.12 -0.50 -0.24 0.00 -0.71 0.00 0.00 52.86 51.30 1xwq s ASN 273 Cb 0.09 0.31 -0.10 0.00 0.41 0.00 0.00 41.25 41.97 1xwq s ASN 273 CO 0.86 -0.64 0.99 -2.65 -1.51 0.00 0.00 177.10 174.15 1xwq n PRO 274 N 0.33 1.29 0.19 -0.60 -0.02 -1.26 -4.88 135.00 130.05 1xwq n PRO 274 Ca -0.17 0.47 0.05 0.00 -2.02 0.00 0.00 63.50 61.83 1xwq n PRO 274 Cb 0.61 -2.04 0.50 0.00 -0.02 0.00 0.00 33.50 32.55 1xwq n PRO 274 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1xwq h GLY 275 N 1.44 0.09 -0.39 -1.23 0.00 -1.21 -2.92 103.07 98.85 1xwq h GLY 275 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1xwq h GLY 275 CO 0.56 0.04 0.00 0.61 0.00 0.00 0.00 176.54 177.76 1xwq n GLN 276 N -4.36 1.58 -2.32 4.80 0.00 0.51 -1.38 117.38 116.21 1xwq n GLN 276 Ca -0.02 -0.86 -0.41 0.00 0.00 0.00 0.00 57.00 55.71 1xwq n GLN 276 Cb 0.21 -1.44 -0.03 0.00 0.00 0.00 0.00 30.24 28.98 1xwq n GLN 276 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1xwq s TRP 277 N -1.92 3.37 -0.64 2.61 0.52 -1.10 -4.53 118.94 117.24 1xwq s TRP 277 Ca 0.36 1.31 -0.26 0.00 0.02 0.00 0.00 56.10 57.52 1xwq s TRP 277 Cb 0.19 -3.50 0.04 0.00 -1.15 0.00 0.00 33.47 29.05 1xwq s TRP 277 CO 0.30 -1.51 1.15 -0.47 0.02 0.00 0.00 176.95 176.44 1xwq s TYR 278 N 0.27 2.54 0.00 -1.98 5.04 0.34 -0.34 117.35 123.23 1xwq s TYR 278 Ca 0.56 0.07 0.00 0.00 -2.44 0.00 0.00 57.07 55.26 1xwq s TYR 278 Cb -0.34 -4.44 0.00 0.00 0.35 0.00 0.00 41.96 37.53 1xwq s TYR 278 CO 0.35 -1.71 0.00 -0.85 -1.34 0.00 0.00 175.55 172.00 1xwq n GLU 279 N 8.48 1.60 -0.14 4.97 -0.00 -1.26 -1.13 120.64 133.16 1xwq n GLU 279 Ca 0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 57.16 57.14 1xwq n GLU 279 Cb 0.48 0.00 0.03 0.00 -0.00 0.00 0.00 31.44 31.95 1xwq n GLU 279 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 1xwq h PHE 280 N 0.00 0.41 0.08 -1.84 -1.00 -1.93 -1.67 116.94 110.98 1xwq h PHE 280 Ca 0.00 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.79 1xwq h PHE 280 Cb 0.00 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 39.44 1xwq h PHE 280 CO 0.00 0.21 -0.04 -0.44 -1.61 0.00 0.00 178.31 176.43 1xwq h ASP 281 N 0.44 -0.10 -0.16 2.17 5.19 -1.96 -3.16 116.42 118.84 1xwq h ASP 281 Ca 0.18 0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.65 1xwq h ASP 281 Cb 0.08 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 1xwq h ASP 281 CO -0.13 -0.07 0.15 0.00 -3.12 0.00 0.00 179.24 176.07 1xwq h ALA 282 N 0.81 1.91 -1.02 3.45 0.00 -1.61 -1.55 119.26 121.25 1xwq h ALA 282 Ca -0.01 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.15 1xwq h ALA 282 Cb 0.09 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.78 1xwq h ALA 282 CO 0.01 -0.23 0.63 -1.49 0.00 0.00 0.00 179.25 178.17 1xwq h TRP 283 N 0.00 0.86 0.00 0.00 6.55 -1.32 -1.57 115.95 120.47 1xwq h TRP 283 Ca 0.08 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.94 1xwq h TRP 283 Cb 0.37 -0.25 -0.00 0.00 -0.86 0.00 0.00 29.16 28.42 1xwq h TRP 283 CO 0.00 0.07 -0.03 0.00 -1.05 0.00 0.00 178.44 177.43 1xwq h ARG 284 N 0.50 0.00 0.23 0.49 3.08 -1.46 -3.36 114.38 113.86 1xwq h ARG 284 Ca 0.62 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.68 1xwq h ARG 284 Cb 1.34 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.37 1xwq h ARG 284 CO -0.39 0.03 -0.29 0.28 -1.07 0.00 0.00 179.97 178.53 1xwq h VAL 285 N 0.00 0.39 0.00 2.04 2.07 -1.44 0.80 116.25 120.11 1xwq h VAL 285 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1xwq h VAL 285 Cb 0.71 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1xwq h VAL 285 CO 0.00 0.00 -0.19 0.16 0.02 0.00 0.00 177.57 177.57 1xwq h ILE 286 N -0.57 0.46 -0.20 4.57 3.07 -1.77 -0.85 117.51 122.22 1xwq h ILE 286 Ca 0.00 -1.03 0.01 0.00 1.55 0.00 0.00 64.86 65.39 1xwq h ILE 286 Cb 0.55 1.74 -0.01 0.00 -0.27 0.00 0.00 36.82 38.82 1xwq h ILE 286 CO -0.10 0.18 0.11 -0.03 -1.05 0.00 0.00 178.15 177.27 1xwq h MET 287 N 0.00 0.23 -0.59 0.16 4.05 -1.54 -0.34 114.93 116.90 1xwq h MET 287 Ca -0.00 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 1xwq h MET 287 Cb 0.72 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.44 1xwq h MET 287 CO 0.02 0.15 0.27 -0.91 0.23 0.00 0.00 176.91 176.67 1xwq h ASN 288 N 0.24 0.75 -0.42 1.39 2.35 0.10 -0.16 115.58 119.83 1xwq h ASN 288 Ca 0.08 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1xwq h ASN 288 Cb -0.00 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1xwq h ASN 288 CO -0.04 0.65 0.11 0.58 -1.65 0.00 0.00 177.43 177.08 1xwq h VAL 289 N 0.83 1.23 -0.72 2.81 2.07 -0.94 0.08 116.25 121.61 1xwq h VAL 289 Ca 0.20 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1xwq h VAL 289 Cb 0.11 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1xwq h VAL 289 CO -0.02 0.28 0.37 1.23 0.02 0.00 0.00 177.57 179.44 1xwq h GLY 290 N 0.54 1.09 0.76 2.17 0.00 -0.71 -0.03 103.07 106.90 1xwq h GLY 290 Ca 0.13 -0.52 0.02 0.00 0.00 0.00 0.00 47.33 46.96 1xwq h GLY 290 CO 0.00 0.50 -0.08 -2.00 0.00 0.00 0.00 176.54 174.96 1xwq h LEU 291 N 1.00 -0.25 -0.66 3.11 6.46 -0.76 -1.01 115.31 123.20 1xwq h LEU 291 Ca 0.25 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 58.01 1xwq h LEU 291 Cb 0.08 0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 1xwq h LEU 291 CO -0.04 -0.12 0.26 -0.78 -0.62 0.00 0.00 178.44 177.14 1xwq h ASP 292 N -0.14 0.92 -0.40 1.25 1.82 -0.65 -0.21 116.42 119.01 1xwq h ASP 292 Ca 0.04 -0.18 -0.01 0.00 -0.39 0.00 0.00 57.03 56.50 1xwq h ASP 292 Cb 0.19 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.94 1xwq h ASP 292 CO -0.10 0.85 0.22 0.00 -1.61 0.00 0.00 179.24 178.59 1xwq h ALA 293 N 1.11 0.51 0.05 -0.78 0.00 -0.86 0.24 119.26 119.53 1xwq h ALA 293 Ca 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xwq h ALA 293 Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xwq h ALA 293 CO -0.02 0.04 -0.02 1.25 0.00 0.00 0.00 179.25 180.50 1xwq h HIS 294 N 0.52 -0.06 0.22 0.00 -0.00 -0.89 -0.29 115.15 114.65 1xwq h HIS 294 Ca 0.14 -0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.19 1xwq h HIS 294 Cb 0.06 0.02 0.03 0.00 -0.00 0.00 0.00 27.41 27.52 1xwq h HIS 294 CO -0.02 0.05 -1.42 -0.07 -0.00 0.00 0.00 177.93 176.47 1xwq h LEU 295 N -0.15 0.78 -0.74 0.26 -0.00 -0.92 -1.15 115.31 113.39 1xwq h LEU 295 Ca -0.01 -0.82 0.00 0.00 -0.00 0.00 0.00 57.88 57.06 1xwq h LEU 295 Cb 0.13 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.54 1xwq h LEU 295 CO 0.01 1.64 -0.10 0.23 -0.00 0.00 0.00 178.44 180.22 1xwq n MET 296 N -3.69 2.00 0.00 1.13 2.81 0.82 -1.15 117.12 119.03 1xwq n MET 296 Ca -0.15 -0.51 0.00 0.00 -1.81 0.00 0.00 57.70 55.23 1xwq n MET 296 Cb 1.08 -0.97 0.00 0.00 -0.71 0.00 0.00 33.22 32.62 1xwq n MET 296 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xwq n GLY 297 N 0.65 2.88 3.64 3.03 0.00 -0.14 -3.75 105.19 111.50 1xwq n GLY 297 Ca 0.02 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 1xwq n GLY 297 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwq s ALA 298 N -0.81 3.65 0.47 4.61 0.00 0.15 -4.32 121.76 125.51 1xwq s ALA 298 Ca 0.00 -0.11 0.07 0.00 0.00 0.00 0.00 51.96 51.92 1xwq s ALA 298 Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1xwq s ALA 298 CO 0.00 -0.93 0.41 -0.65 0.00 0.00 0.00 175.76 174.59 1xwq s GLN 299 N 2.87 2.40 0.24 0.00 -1.52 -1.26 -4.09 119.66 118.30 1xwq s GLN 299 Ca 0.36 -1.72 -0.05 0.00 -1.95 0.00 0.00 55.36 52.00 1xwq s GLN 299 Cb -0.15 -2.29 0.40 0.00 -0.22 0.00 0.00 33.01 30.75 1xwq s GLN 299 CO 0.07 -0.39 1.77 0.00 -0.25 0.00 0.00 175.29 176.50 1xwq h ALA 300 N 0.88 1.09 -0.55 6.09 0.00 -2.00 -2.47 119.26 122.30 1xwq h ALA 300 Ca -0.39 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 1xwq h ALA 300 Cb 1.28 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1xwq h ALA 300 CO 0.56 -0.05 0.08 0.11 0.00 0.00 0.00 179.25 179.96 1xwq h TRP 301 N 0.62 0.91 -0.03 0.00 5.08 -1.99 -1.36 115.95 119.18 1xwq h TRP 301 Ca 0.39 -0.11 0.02 0.00 1.08 0.00 0.00 58.89 60.27 1xwq h TRP 301 Cb 0.46 -0.26 -0.02 0.00 -3.00 0.00 0.00 29.16 26.34 1xwq h TRP 301 CO -0.10 0.79 -0.08 0.45 -1.28 0.00 0.00 178.44 178.21 1xwq h HIS 302 N 0.83 -0.20 -0.54 0.12 3.86 -1.83 -0.44 115.15 116.95 1xwq h HIS 302 Ca 0.17 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.35 1xwq h HIS 302 Cb 0.37 0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 1xwq h HIS 302 CO 0.02 -0.13 0.16 0.87 0.86 0.00 0.00 177.93 179.71 1xwq h LYS 303 N -0.13 0.84 -0.35 2.45 1.57 -1.32 -2.06 116.57 117.58 1xwq h LYS 303 Ca 0.04 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1xwq h LYS 303 Cb 0.18 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1xwq h LYS 303 CO -0.10 0.78 0.09 1.03 -0.57 0.00 0.00 179.45 180.67 1xwq h SER 304 N 0.75 0.52 -0.11 0.86 0.87 -1.14 0.88 113.55 116.18 1xwq h SER 304 Ca 0.17 -0.23 0.04 0.00 -1.23 0.00 0.00 61.79 60.55 1xwq h SER 304 Cb 0.29 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.07 1xwq h SER 304 CO -0.00 0.61 -0.20 0.00 -0.53 0.00 0.00 176.83 176.71 1xwq h ALA 305 N 0.93 -0.17 -0.06 6.23 0.00 -0.93 -1.86 119.26 123.39 1xwq h ALA 305 Ca 0.11 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1xwq h ALA 305 Cb 0.29 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1xwq h ALA 305 CO 0.00 -0.66 -0.26 0.28 0.00 0.00 0.00 179.25 178.60 1xwq h VAL 306 N -0.27 1.44 -0.66 0.00 2.07 -1.29 -2.23 116.25 115.30 1xwq h VAL 306 Ca 0.09 -1.69 0.06 0.00 0.82 0.00 0.00 66.70 65.99 1xwq h VAL 306 Cb 0.40 2.36 -0.06 0.00 -1.52 0.00 0.00 31.29 32.47 1xwq h VAL 306 CO -0.26 0.48 0.36 0.78 0.02 0.00 0.00 177.57 178.95 1xwq h ASN 307 N -0.23 0.53 0.16 0.57 2.35 -0.82 -0.11 115.58 118.02 1xwq h ASN 307 Ca -0.02 0.03 -0.20 0.00 -0.55 0.00 0.00 56.30 55.56 1xwq h ASN 307 Cb 0.91 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.21 1xwq h ASN 307 CO 0.05 0.34 -0.79 0.11 -1.65 0.00 0.00 177.43 175.50 1xwq h LYS 308 N 0.67 0.52 0.02 0.81 1.57 -1.38 -0.37 116.57 118.42 1xwq h LYS 308 Ca 0.30 -0.45 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1xwq h LYS 308 Cb 0.20 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1xwq h LYS 308 CO -0.19 1.08 -0.01 0.00 -0.57 0.00 0.00 179.45 179.76 1xwq h ALA 309 N 0.79 -0.03 -0.71 3.86 0.00 -1.07 -0.86 119.26 121.24 1xwq h ALA 309 Ca -0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1xwq h ALA 309 Cb 1.39 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1xwq h ALA 309 CO 0.14 -0.35 0.31 -0.07 0.00 0.00 0.00 179.25 179.28 1xwq h LEU 310 N -0.38 0.94 -0.65 0.00 3.38 -1.08 -1.78 115.31 115.73 1xwq h LEU 310 Ca -0.00 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 57.93 1xwq h LEU 310 Cb 0.36 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 1xwq h LEU 310 CO 0.01 0.82 0.31 1.23 0.09 0.00 0.00 178.44 180.89 1xwq h GLY 311 N 1.08 0.95 0.89 0.83 0.00 -0.98 -0.17 103.07 105.66 1xwq h GLY 311 Ca 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 1xwq h GLY 311 CO -0.03 0.05 0.08 -2.75 0.00 0.00 0.00 176.54 173.89 1xwq h PHE 312 N 0.54 0.48 -0.82 5.60 3.57 -0.52 -2.20 116.94 123.59 1xwq h PHE 312 Ca 0.32 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 1xwq h PHE 312 Cb 0.32 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 1xwq h PHE 312 CO -0.12 0.52 0.37 -0.07 -2.23 0.00 0.00 178.31 176.77 1xwq h LEU 313 N 0.30 1.09 -0.40 0.59 3.38 -1.01 0.30 115.31 119.56 1xwq h LEU 313 Ca 0.09 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1xwq h LEU 313 Cb 0.28 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1xwq h LEU 313 CO -0.00 0.94 0.24 0.28 0.09 0.00 0.00 178.44 179.98 1xwq h SER 314 N 1.17 0.39 -0.48 -0.43 0.02 -0.99 -1.13 113.55 112.10 1xwq h SER 314 Ca 0.28 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1xwq h SER 314 Cb 0.16 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1xwq h SER 314 CO -0.03 0.28 0.24 0.22 -1.14 0.00 0.00 176.83 176.40 1xwq h TYR 315 N 0.48 0.68 -0.78 3.45 3.20 -0.73 -2.91 116.97 120.36 1xwq h TYR 315 Ca 0.16 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1xwq h TYR 315 Cb -0.00 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.01 1xwq h TYR 315 CO -0.07 0.53 0.52 0.00 -1.64 0.00 0.00 178.16 177.50 1xwq h ALA 316 N 1.08 1.45 -0.73 1.82 0.00 -0.08 -1.87 119.26 120.94 1xwq h ALA 316 Ca 0.17 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1xwq h ALA 316 Cb 0.10 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1xwq h ALA 316 CO -0.02 0.51 0.48 -0.22 0.00 0.00 0.00 179.25 180.00 1xwq h LYS 317 N 1.05 0.95 0.00 0.00 3.64 -0.72 -2.32 116.57 119.18 1xwq h LYS 317 Ca 0.29 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1xwq h LYS 317 Cb -0.11 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.49 1xwq h LYS 317 CO -0.06 0.63 -0.09 1.79 -2.27 0.00 0.00 179.45 179.44 1xwq h THR 318 N 0.98 0.32 -0.69 1.00 1.35 -1.16 -2.38 112.91 112.32 1xwq h THR 318 Ca 0.27 -0.58 -0.36 0.00 -0.55 0.00 0.00 66.41 65.19 1xwq h THR 318 Cb -0.10 1.43 -0.22 0.00 -1.73 0.00 0.00 68.15 67.54 1xwq h THR 318 CO -0.06 0.09 0.30 0.59 -0.25 0.00 0.00 175.52 176.19 1xwq n ASN 319 N -3.35 3.15 -4.22 5.36 3.02 -0.90 -4.93 115.26 113.39 1xwq n ASN 319 Ca -0.01 -3.70 -0.32 0.00 -0.03 0.00 0.00 54.58 50.52 1xwq n ASN 319 Cb 0.27 -0.74 -0.17 0.00 -0.61 0.00 0.00 39.78 38.53 1xwq n ASN 319 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1xwq s ASN 320 N -1.90 3.06 0.64 6.41 3.84 -0.90 -5.02 114.94 121.07 1xwq s ASN 320 Ca 0.51 -0.55 0.41 0.00 0.21 0.00 0.00 52.86 53.44 1xwq s ASN 320 Cb 0.45 -1.40 2.15 0.00 -0.55 0.00 0.00 41.25 41.90 1xwq s ASN 320 CO 0.05 0.16 2.28 0.77 -2.79 0.00 0.00 177.10 177.57 1xwq h SER 321 N 6.72 0.00 -0.50 -4.21 4.64 -1.91 -1.67 113.55 116.63 1xwq h SER 321 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1xwq h SER 321 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1xwq h SER 321 CO 0.47 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.72 1xwq n LYS 322 N -3.12 2.49 -3.92 4.77 5.02 -1.26 -4.97 118.16 117.16 1xwq n LYS 322 Ca -0.02 -2.27 -0.27 0.00 -2.02 0.00 0.00 58.31 53.72 1xwq n LYS 322 Cb 0.13 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1xwq n LYS 322 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1xwq n ASN 323 N 1.41 -2.14 -4.00 4.39 5.15 -0.63 -5.00 115.26 114.45 1xwq n ASN 323 Ca 0.21 -0.90 -0.08 0.00 -0.60 0.00 0.00 54.58 53.20 1xwq n ASN 323 Cb 0.57 -3.47 -0.10 0.00 -0.53 0.00 0.00 39.78 36.26 1xwq n ASN 323 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xwq s TYR 325 N -2.79 3.45 0.45 0.00 1.13 0.59 -4.18 117.35 116.00 1xwq s TYR 325 Ca -0.04 1.15 0.08 0.00 -1.41 0.00 0.00 57.07 56.86 1xwq s TYR 325 Cb -0.00 -2.52 0.02 0.00 -1.10 0.00 0.00 41.96 38.36 1xwq s TYR 325 CO -0.06 -0.12 0.60 -1.21 -2.51 0.00 0.00 175.55 172.25 1xwq s GLU 326 N -3.75 2.72 0.35 -3.49 2.02 -1.26 -0.90 118.70 114.40 1xwq s GLU 326 Ca 0.53 -1.33 0.19 0.00 0.02 0.00 0.00 54.97 54.38 1xwq s GLU 326 Cb -0.10 -2.72 0.40 0.00 0.10 0.00 0.00 34.13 31.81 1xwq s GLU 326 CO 0.29 -0.38 1.60 1.96 0.02 0.00 0.00 175.26 178.75 1xwq h GLN 327 N 0.57 0.00 -3.65 1.61 4.20 -1.37 -3.41 115.11 113.06 1xwq h GLN 327 Ca -0.38 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 57.96 1xwq h GLN 327 Cb 1.28 0.00 -0.36 0.00 0.30 0.00 0.00 27.48 28.70 1xwq h GLN 327 CO 0.45 0.35 -0.75 0.08 -0.67 0.00 0.00 178.83 178.29 1xwq s VAL 328 N -3.24 0.18 0.07 -0.54 1.01 -1.26 -4.42 120.40 112.19 1xwq s VAL 328 Ca 0.03 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.23 1xwq s VAL 328 Cb 0.08 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 1xwq s VAL 328 CO 0.70 0.18 -0.19 -0.31 0.00 0.00 0.00 175.10 175.48 1xwq s TYR 329 N 1.45 1.64 -0.04 5.22 1.51 -0.29 -1.89 117.35 124.95 1xwq s TYR 329 Ca -0.04 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.61 1xwq s TYR 329 Cb -0.13 -0.94 0.03 0.00 -0.11 0.00 0.00 41.96 40.81 1xwq s TYR 329 CO -0.03 0.13 0.03 0.45 -1.11 0.00 0.00 175.55 175.02 1xwq s SER 330 N -1.55 0.91 -1.60 2.29 0.15 -0.16 -0.50 113.70 113.25 1xwq s SER 330 Ca 0.05 0.02 -0.15 0.00 0.70 0.00 0.00 55.95 56.56 1xwq s SER 330 Cb -0.09 -0.21 0.11 0.00 -1.71 0.00 0.00 66.02 64.12 1xwq s SER 330 CO 0.03 -0.19 0.90 -1.22 1.20 0.00 0.00 173.24 173.96 1xwq n TYR 331 N 4.84 -2.06 -0.94 3.44 4.01 -1.26 -0.93 117.16 124.25 1xwq n TYR 331 Ca -0.13 0.86 0.00 0.00 -0.16 0.00 0.00 57.90 58.47 1xwq n TYR 331 Cb 0.50 -3.56 0.00 0.00 -0.31 0.00 0.00 39.34 35.97 1xwq n TYR 331 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xwq n GLY 332 N -1.58 0.62 3.59 2.72 0.00 -1.25 -4.80 105.19 104.49 1xwq n GLY 332 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1xwq n GLY 332 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xwq s GLY 333 N -2.00 1.83 0.28 -0.02 0.00 -0.10 -5.08 107.32 102.22 1xwq s GLY 333 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 44.72 43.64 1xwq s GLY 333 CO 0.00 -0.13 1.44 0.00 0.00 0.00 0.00 173.10 174.41 1xwq s ALA 334 N 0.08 3.62 -1.81 3.20 0.00 -1.26 -0.99 121.76 124.60 1xwq s ALA 334 Ca 0.02 1.37 0.20 0.00 0.00 0.00 0.00 51.96 53.55 1xwq s ALA 334 Cb -0.13 -3.56 0.53 0.00 0.00 0.00 0.00 23.12 19.96 1xwq s ALA 334 CO 0.02 -0.79 1.44 1.04 0.00 0.00 0.00 175.76 177.47 1xwq n GLN 335 N 1.88 2.68 -3.53 0.00 1.13 -0.79 -4.91 117.38 113.84 1xwq n GLN 335 Ca 0.05 -2.45 -0.22 0.00 -1.94 0.00 0.00 57.00 52.45 1xwq n GLN 335 Cb 0.40 -1.49 0.08 0.00 0.11 0.00 0.00 30.24 29.34 1xwq n GLN 335 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1xwq n ASN 336 N 1.36 -5.86 -1.44 1.08 5.15 -1.26 -4.92 115.26 109.38 1xwq n ASN 336 Ca 0.21 -0.52 -0.06 0.00 -0.60 0.00 0.00 54.58 53.61 1xwq n ASN 336 Cb 0.57 -4.80 0.22 0.00 -0.53 0.00 0.00 39.78 35.24 1xwq n ASN 336 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1xwq n ARG 337 N -4.71 2.38 0.00 1.20 5.12 -1.26 -5.05 116.66 114.33 1xwq n ARG 337 Ca -0.01 -3.08 0.00 0.00 -1.93 0.00 0.00 57.85 52.83 1xwq n ARG 337 Cb 0.56 -1.95 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 1xwq n ARG 337 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xwq n GLY 338 N -0.88 1.68 3.74 -0.13 0.00 -1.26 -4.55 105.19 103.79 1xwq n GLY 338 Ca 0.37 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 1xwq n GLY 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwq n ALA 340 N -1.34 -0.74 -2.50 0.00 0.00 -0.07 -4.54 120.51 111.31 1xwq n ALA 340 Ca 0.12 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1xwq n ALA 340 Cb 0.46 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1xwq n ALA 340 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xwq n GLY 341 N 2.33 1.17 0.30 0.00 0.00 -1.26 -4.91 105.19 102.82 1xwq n GLY 341 Ca 0.17 -2.02 -0.07 0.00 0.00 0.00 0.00 46.02 44.11 1xwq n GLY 341 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xwq h GLU 342 N 0.00 1.03 -0.76 1.61 3.07 -1.94 -2.34 114.58 115.25 1xwq h GLU 342 Ca 0.00 -0.18 -0.05 0.00 -0.50 0.00 0.00 59.36 58.63 1xwq h GLU 342 Cb 0.00 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 27.71 1xwq h GLU 342 CO 0.00 0.85 0.27 0.78 -1.40 0.00 0.00 179.01 179.51 1xwq h GLY 343 N 0.98 1.24 0.97 -3.84 0.00 -1.86 0.36 103.07 100.93 1xwq h GLY 343 Ca 0.23 -0.70 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 1xwq h GLY 343 CO -0.02 0.66 -0.32 -1.61 0.00 0.00 0.00 176.54 175.25 1xwq h GLN 344 N 1.12 0.70 -0.59 4.80 4.15 -1.88 0.16 115.11 123.57 1xwq h GLN 344 Ca 0.25 -0.38 -0.04 0.00 0.77 0.00 0.00 58.65 59.25 1xwq h GLN 344 Cb 0.26 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 1xwq h GLN 344 CO -0.01 1.00 0.22 0.87 -1.93 0.00 0.00 178.83 178.97 1xwq h LYS 345 N 0.43 0.86 -0.09 1.69 1.57 -1.23 -1.30 116.57 118.49 1xwq h LYS 345 Ca 0.04 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1xwq h LYS 345 Cb 0.89 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 1xwq h LYS 345 CO 0.08 0.71 0.03 0.00 -0.57 0.00 0.00 179.45 179.70 1xwq h ALA 346 N 1.40 0.12 -0.77 3.86 0.00 -0.75 -0.92 119.26 122.20 1xwq h ALA 346 Ca 0.20 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1xwq h ALA 346 Cb 0.19 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1xwq h ALA 346 CO -0.02 -0.26 0.44 0.00 0.00 0.00 0.00 179.25 179.42 1xwq h ALA 347 N 0.83 1.06 -0.00 0.00 0.00 -0.71 -2.10 119.26 118.33 1xwq h ALA 347 Ca 0.03 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1xwq h ALA 347 Cb 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xwq h ALA 347 CO -0.00 0.12 -0.50 -0.91 0.00 0.00 0.00 179.25 177.96 1xwq h ASN 348 N 0.79 0.01 -0.43 0.00 2.35 -1.11 -2.59 115.58 114.60 1xwq h ASN 348 Ca 0.35 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.05 1xwq h ASN 348 Cb 0.25 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1xwq h ASN 348 CO -0.20 0.51 0.07 0.00 -1.65 0.00 0.00 177.43 176.16 1xwq h ALA 349 N 1.49 0.58 -0.34 -0.83 0.00 -0.52 -3.03 119.26 116.60 1xwq h ALA 349 Ca -0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1xwq h ALA 349 Cb 0.89 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1xwq h ALA 349 CO 0.07 0.29 -0.02 0.28 0.00 0.00 0.00 179.25 179.87 1xwq h VAL 350 N 0.58 1.20 -0.14 0.00 2.07 -1.26 -2.29 116.25 116.41 1xwq h VAL 350 Ca 0.13 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.87 1xwq h VAL 350 Cb 0.37 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1xwq h VAL 350 CO 0.01 0.28 0.14 0.00 0.02 0.00 0.00 177.57 178.02 1xwq h ALA 351 N 1.48 1.83 0.00 1.67 0.00 -1.34 -1.95 119.26 120.94 1xwq h ALA 351 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xwq h ALA 351 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1xwq h ALA 351 CO 0.01 -0.21 0.04 -0.07 0.00 0.00 0.00 179.25 179.02 1xwq h LEU 352 N 0.00 0.00 -0.28 0.00 3.38 -1.40 -0.88 115.31 116.13 1xwq h LEU 352 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1xwq h LEU 352 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1xwq h LEU 352 CO -0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 1xwq n LEU 353 N -2.89 0.18 -0.19 1.67 4.77 -0.73 -1.66 117.00 118.14 1xwq n LEU 353 Ca -0.03 0.56 0.03 0.00 -0.03 0.00 0.00 56.01 56.54 1xwq n LEU 353 Cb 0.10 -0.55 0.01 0.00 -2.33 0.00 0.00 43.42 40.64 1xwq n LEU 353 CO 0.17 -0.46 0.25 0.00 -1.33 0.00 0.00 177.39 176.02 1xwq n ALA 354 N -1.58 2.57 -1.78 -1.18 0.00 -0.34 -4.42 120.51 113.78 1xwq n ALA 354 Ca 0.02 -0.44 -0.37 0.00 0.00 0.00 0.00 53.44 52.65 1xwq n ALA 354 Cb 0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 19.45 19.31 1xwq n ALA 354 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xwq s SER 355 N -0.84 6.69 -0.07 0.00 0.15 -0.67 -3.92 113.70 115.05 1xwq s SER 355 Ca 0.06 2.10 0.10 0.00 0.70 0.00 0.00 55.95 58.92 1xwq s SER 355 Cb 0.05 -2.59 0.22 0.00 -1.71 0.00 0.00 66.02 61.99 1xwq s SER 355 CO 0.13 -0.54 1.14 0.35 1.20 0.00 0.00 173.24 175.52 1xwq n THR 356 N -0.05 1.49 -3.93 6.45 -2.24 -1.26 -4.67 114.28 110.06 1xwq n THR 356 Ca 0.05 -1.56 -0.33 0.00 -2.27 0.00 0.00 64.05 59.93 1xwq n THR 356 Cb 0.49 0.14 -0.14 0.00 -2.10 0.00 0.00 70.33 68.72 1xwq n THR 356 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1xwq s ASN 357 N -1.78 4.91 0.33 3.42 3.84 -1.26 -4.87 114.94 119.52 1xwq s ASN 357 Ca 0.20 -1.92 0.05 0.00 0.21 0.00 0.00 52.86 51.40 1xwq s ASN 357 Cb 0.16 -1.70 0.68 0.00 -0.55 0.00 0.00 41.25 39.84 1xwq s ASN 357 CO 0.04 -0.40 1.88 0.00 -2.79 0.00 0.00 177.10 175.84 1xwq h ALA 358 N 7.82 1.67 -0.03 1.71 0.00 -1.93 0.87 119.26 129.36 1xwq h ALA 358 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xwq h ALA 358 Cb 1.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1xwq h ALA 358 CO 0.57 0.13 0.02 0.78 0.00 0.00 0.00 179.25 180.74 1xwq h GLY 359 N 0.85 0.05 0.53 0.00 0.00 -1.99 0.47 103.07 102.98 1xwq h GLY 359 Ca 0.43 -0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.79 1xwq h GLY 359 CO -0.20 0.02 -0.06 1.46 0.00 0.00 0.00 176.54 177.77 1xwq h GLN 360 N -0.07 -0.01 -0.23 4.80 1.08 -1.85 -2.47 115.11 116.36 1xwq h GLN 360 Ca 0.01 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.25 1xwq h GLN 360 Cb 0.12 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 1xwq h GLN 360 CO -0.00 -0.00 -0.01 0.00 -0.95 0.00 0.00 178.83 177.87 1xwq h ALA 361 N 1.22 0.20 -0.30 3.87 0.00 -0.63 0.24 119.26 123.86 1xwq h ALA 361 Ca 0.11 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1xwq h ALA 361 Cb 0.18 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1xwq h ALA 361 CO -0.24 -0.43 -0.13 -0.97 0.00 0.00 0.00 179.25 177.48 1xwq h ASN 362 N 0.07 -0.44 0.15 0.00 -0.73 -0.78 0.20 115.58 114.04 1xwq h ASN 362 Ca 0.11 0.11 -0.01 0.00 1.87 0.00 0.00 56.30 58.38 1xwq h ASN 362 Cb 0.14 0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.98 1xwq h ASN 362 CO -0.19 -0.16 -0.07 -0.33 -0.37 0.00 0.00 177.43 176.31 1xwq h GLU 363 N -0.08 -0.19 -0.35 6.67 4.39 -0.99 -2.14 114.58 121.89 1xwq h GLU 363 Ca 0.15 0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.72 1xwq h GLU 363 Cb 0.31 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1xwq h GLU 363 CO -0.35 0.07 -0.37 0.74 -1.16 0.00 0.00 179.01 177.93 1xwq h PHE 364 N -0.44 1.00 -0.30 4.33 0.04 -0.87 -2.38 116.94 118.32 1xwq h PHE 364 Ca -0.02 -0.29 -0.08 0.00 2.80 0.00 0.00 57.97 60.38 1xwq h PHE 364 Cb 0.35 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1xwq h PHE 364 CO 0.01 1.08 -0.13 0.35 -0.60 0.00 0.00 178.31 179.02 1xwq h PHE 365 N 0.69 0.70 -0.41 -0.55 3.57 -0.66 -2.94 116.94 117.34 1xwq h PHE 365 Ca 0.06 -0.17 -0.06 0.00 3.53 0.00 0.00 57.97 61.33 1xwq h PHE 365 Cb 0.94 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 1xwq h PHE 365 CO 0.05 0.83 0.02 -0.91 -2.23 0.00 0.00 178.31 176.08 1xwq h ASN 366 N 0.36 0.61 -0.28 0.41 2.35 -1.36 0.11 115.58 117.77 1xwq h ASN 366 Ca 0.07 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 1xwq h ASN 366 Cb 0.64 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 1xwq h ASN 366 CO 0.04 0.67 0.06 -0.33 -1.65 0.00 0.00 177.43 176.22 1xwq h GLU 367 N 0.61 0.55 0.03 0.81 5.08 -1.42 -1.12 114.58 119.13 1xwq h GLU 367 Ca 0.13 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1xwq h GLU 367 Cb 0.36 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.53 1xwq h GLU 367 CO 0.01 0.54 -0.47 0.35 -1.00 0.00 0.00 179.01 178.44 1xwq h PHE 368 N 0.54 0.41 0.00 4.33 3.57 -1.24 -3.34 116.94 121.22 1xwq h PHE 368 Ca 0.12 -0.25 -0.04 0.00 3.53 0.00 0.00 57.97 61.34 1xwq h PHE 368 Cb 0.26 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1xwq h PHE 368 CO 0.01 1.09 -0.20 2.35 -2.23 0.00 0.00 178.31 179.33 1xwq h TRP 369 N -0.38 0.00 -0.00 0.41 2.91 -0.66 -2.63 115.95 115.59 1xwq h TRP 369 Ca -0.07 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.95 1xwq h TRP 369 Cb 1.24 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.89 1xwq h TRP 369 CO 0.18 0.20 -0.08 -1.13 -1.03 0.00 0.00 178.44 176.58 1xwq n SER 370 N -3.71 0.09 -4.78 2.65 3.41 -0.44 -4.89 113.62 105.96 1xwq n SER 370 Ca -0.01 0.30 -0.36 0.00 -0.26 0.00 0.00 58.87 58.53 1xwq n SER 370 Cb 0.31 -0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 63.90 1xwq n SER 370 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xwq s LEU 371 N -2.95 3.90 0.43 1.04 1.43 -0.99 -5.05 118.68 116.49 1xwq s LEU 371 Ca 0.15 2.18 -0.18 0.00 -1.03 0.00 0.00 54.13 55.26 1xwq s LEU 371 Cb 0.19 -4.41 -0.09 0.00 0.03 0.00 0.00 46.19 41.91 1xwq s LEU 371 CO 0.55 -0.97 0.90 -0.94 0.23 0.00 0.00 176.35 176.12 1xwq s SER 372 N -1.62 6.78 0.23 2.29 1.04 -1.26 -5.03 113.70 116.13 1xwq s SER 372 Ca 0.67 1.52 -0.32 0.00 0.48 0.00 0.00 55.95 58.30 1xwq s SER 372 Cb -0.24 -2.48 -0.13 0.00 0.10 0.00 0.00 66.02 63.27 1xwq s SER 372 CO 0.29 -0.39 1.45 1.67 0.98 0.00 0.00 173.24 177.24 1xwq n GLN 373 N -0.90 2.10 -1.66 4.02 7.27 -1.26 -4.89 117.38 122.06 1xwq n GLN 373 Ca 0.06 0.75 -0.43 0.00 0.07 0.00 0.00 57.00 57.44 1xwq n GLN 373 Cb 0.54 -2.43 -0.01 0.00 2.41 0.00 0.00 30.24 30.74 1xwq n GLN 373 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1xwq n PRO 374 N 2.27 1.88 -4.40 3.69 -0.02 -1.26 -4.96 135.00 132.20 1xwq n PRO 374 Ca 0.12 0.66 -0.23 0.00 -2.02 0.00 0.00 63.50 62.03 1xwq n PRO 374 Cb 0.31 -2.18 -0.08 0.00 -0.02 0.00 0.00 33.50 31.54 1xwq n PRO 374 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1xwq s THR 375 N -1.05 0.26 0.00 3.45 -4.23 -1.26 -4.39 115.64 108.42 1xwq s THR 375 Ca 0.57 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1xwq s THR 375 Cb -0.61 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 70.83 1xwq s THR 375 CO 0.61 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.30 1xwq n GLY 376 N -0.78 -2.09 0.26 3.99 0.00 -1.25 -4.19 105.19 101.13 1xwq n GLY 376 Ca 0.01 -1.48 0.14 0.00 0.00 0.00 0.00 46.02 44.69 1xwq n GLY 376 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xwq h ASP 377 N 0.00 0.00 -0.38 1.61 3.32 -1.97 -2.97 116.42 116.03 1xwq h ASP 377 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1xwq h ASP 377 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1xwq h ASP 377 CO 0.00 0.11 0.02 -1.22 -1.72 0.00 0.00 179.24 176.43 1xwq n TYR 378 N -3.38 1.33 0.58 4.55 4.01 -1.26 -4.35 117.16 118.63 1xwq n TYR 378 Ca -0.01 -0.95 0.12 0.00 -0.16 0.00 0.00 57.90 56.90 1xwq n TYR 378 Cb 0.29 -0.41 0.45 0.00 -0.31 0.00 0.00 39.34 39.36 1xwq n TYR 378 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1xwq n ARG 379 N -0.33 0.20 0.27 -0.72 1.85 -1.12 -3.59 116.66 113.21 1xwq n ARG 379 Ca 0.26 0.27 -0.18 0.00 -1.00 0.00 0.00 57.85 57.19 1xwq n ARG 379 Cb 1.02 -1.78 -0.10 0.00 -1.05 0.00 0.00 32.46 30.55 1xwq n ARG 379 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 1xwq h TYR 380 N 0.00 -1.43 -0.00 2.89 3.20 -1.83 0.76 116.97 120.56 1xwq h TYR 380 Ca 0.00 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 1xwq h TYR 380 Cb 0.56 0.56 0.01 0.00 1.54 0.00 0.00 36.73 39.40 1xwq h TYR 380 CO 0.00 -0.66 -0.29 -0.92 -1.64 0.00 0.00 178.16 174.64 1xwq h TYR 381 N -0.97 0.30 -0.47 -3.82 3.20 -1.92 -1.33 116.97 111.96 1xwq h TYR 381 Ca -0.06 -0.16 -0.00 0.00 3.14 0.00 0.00 58.73 61.65 1xwq h TYR 381 Cb 0.86 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 1xwq h TYR 381 CO -0.28 0.96 0.28 -0.91 -1.64 0.00 0.00 178.16 176.57 1xwq h ASN 382 N -0.44 0.57 -0.38 -2.11 2.35 -1.63 -2.15 115.58 111.79 1xwq h ASN 382 Ca -0.04 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.53 1xwq h ASN 382 Cb 1.04 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 1xwq h ASN 382 CO 0.06 0.46 -0.21 1.23 -1.65 0.00 0.00 177.43 177.32 1xwq h GLY 383 N 0.62 0.95 0.86 2.83 0.00 0.49 -0.11 103.07 108.71 1xwq h GLY 383 Ca 0.17 -0.82 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1xwq h GLY 383 CO -0.03 0.74 0.05 1.76 0.00 0.00 0.00 176.54 179.06 1xwq h SER 384 N 0.76 0.19 -0.33 0.19 0.02 -1.16 -1.55 113.55 111.67 1xwq h SER 384 Ca 0.10 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 60.77 1xwq h SER 384 Cb 0.75 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1xwq h SER 384 CO 0.06 0.33 -0.11 -0.07 -1.14 0.00 0.00 176.83 175.89 1xwq h LEU 385 N 0.05 0.75 -0.48 5.07 3.38 -1.37 -2.20 115.31 120.49 1xwq h LEU 385 Ca 0.04 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.82 1xwq h LEU 385 Cb 0.20 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1xwq h LEU 385 CO -0.00 0.89 0.27 0.22 0.09 0.00 0.00 178.44 179.91 1xwq h TYR 386 N 0.69 0.51 0.08 1.13 5.03 -0.89 0.60 116.97 124.11 1xwq h TYR 386 Ca 0.12 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.44 1xwq h TYR 386 Cb 0.59 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 38.71 1xwq h TYR 386 CO 0.03 0.28 -0.04 1.98 -1.32 0.00 0.00 178.16 179.09 1xwq h MET 387 N 0.54 -0.11 -0.44 1.82 4.05 -1.10 -1.13 114.93 118.57 1xwq h MET 387 Ca 0.20 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.66 1xwq h MET 387 Cb 0.06 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.84 1xwq h MET 387 CO -0.11 -0.04 0.22 -0.07 0.23 0.00 0.00 176.91 177.13 1xwq h LEU 388 N -0.14 0.32 -0.64 3.39 3.38 -1.16 -2.48 115.31 117.97 1xwq h LEU 388 Ca -0.01 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1xwq h LEU 388 Cb 0.11 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1xwq h LEU 388 CO 0.02 0.23 0.36 0.00 0.09 0.00 0.00 178.44 179.14 1xwq h ALA 389 N 1.23 0.85 -0.98 1.53 0.00 -0.78 -1.23 119.26 119.89 1xwq h ALA 389 Ca 0.19 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1xwq h ALA 389 Cb 0.09 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1xwq h ALA 389 CO -0.13 0.05 0.63 0.52 0.00 0.00 0.00 179.25 180.33 1xwq h MET 390 N 0.68 1.11 -0.28 0.00 2.86 -0.76 -0.32 114.93 118.21 1xwq h MET 390 Ca 0.28 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.81 1xwq h MET 390 Cb 0.15 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1xwq h MET 390 CO -0.16 0.73 -0.02 -0.07 1.06 0.00 0.00 176.91 178.45 1xwq h LEU 391 N 1.14 0.50 -1.22 1.22 3.38 -1.09 -3.05 115.31 116.19 1xwq h LEU 391 Ca 0.42 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1xwq h LEU 391 Cb 0.18 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1xwq h LEU 391 CO -0.16 0.71 0.10 0.45 0.09 0.00 0.00 178.44 179.63 1xwq h HIS 392 N 0.29 0.66 -0.02 1.13 3.86 -0.45 -1.02 115.15 119.60 1xwq h HIS 392 Ca 0.08 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1xwq h HIS 392 Cb 0.46 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1xwq h HIS 392 CO 0.04 0.56 -0.11 1.33 0.86 0.00 0.00 177.93 180.62 1xwq n VAL 393 N -4.31 0.00 0.04 2.45 0.24 -0.21 -3.89 118.33 112.65 1xwq n VAL 393 Ca 0.03 -0.30 0.03 0.00 -2.04 0.00 0.00 64.34 62.06 1xwq n VAL 393 Cb 0.20 0.85 0.07 0.00 -1.47 0.00 0.00 33.84 33.49 1xwq n VAL 393 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1xwq n SER 394 N 0.32 2.18 -0.76 -1.34 3.41 -1.15 -0.64 113.62 115.63 1xwq n SER 394 Ca 0.15 -1.73 -0.09 0.00 -0.26 0.00 0.00 58.87 56.94 1xwq n SER 394 Cb 0.44 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 1xwq n SER 394 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xwq n GLY 395 N 0.21 0.88 0.06 5.00 0.00 -1.19 -4.79 105.19 105.36 1xwq n GLY 395 Ca 0.06 -0.60 0.11 0.00 0.00 0.00 0.00 46.02 45.58 1xwq n GLY 395 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xwq n ASN 396 N 0.48 1.02 -4.43 1.61 4.13 -0.41 -4.78 115.26 112.88 1xwq n ASN 396 Ca -0.09 -0.92 -0.44 0.00 1.68 0.00 0.00 54.58 54.81 1xwq n ASN 396 Cb 0.35 0.79 -0.04 0.00 -1.54 0.00 0.00 39.78 39.34 1xwq n ASN 396 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1xwq s PHE 397 N -2.93 2.77 0.18 3.10 2.19 -1.08 -4.82 117.98 117.40 1xwq s PHE 397 Ca 0.10 -0.69 0.09 0.00 0.33 0.00 0.00 56.93 56.77 1xwq s PHE 397 Cb 0.17 -4.22 -0.04 0.00 -1.31 0.00 0.00 43.02 37.62 1xwq s PHE 397 CO 0.80 -1.55 -0.19 0.15 1.83 0.00 0.00 175.22 176.26 1xwq s LYS 398 N 3.65 1.34 -0.28 10.12 1.02 -1.26 -4.97 119.74 129.35 1xwq s LYS 398 Ca 0.19 -1.47 -0.12 0.00 0.02 0.00 0.00 55.97 54.60 1xwq s LYS 398 Cb -0.19 -1.40 -0.05 0.00 -0.52 0.00 0.00 37.83 35.67 1xwq s LYS 398 CO 0.09 0.28 0.22 -0.06 -0.92 0.00 0.00 175.35 174.95 1xwq s PHE 399 N -2.13 3.23 -0.40 3.18 0.40 -1.26 -5.02 117.98 115.97 1xwq s PHE 399 Ca 0.18 0.16 -0.11 0.00 -0.60 0.00 0.00 56.93 56.56 1xwq s PHE 399 Cb -0.05 -2.41 0.05 0.00 0.51 0.00 0.00 43.02 41.12 1xwq s PHE 399 CO 0.08 -0.17 0.25 0.71 0.70 0.00 0.00 175.22 176.79 1xwq s TYR 400 N 1.80 3.27 0.36 0.36 1.51 -1.26 -5.05 117.35 118.33 1xwq s TYR 400 Ca 0.08 -1.10 -0.26 0.00 -1.01 0.00 0.00 57.07 54.78 1xwq s TYR 400 Cb -0.16 -2.67 -0.09 0.00 -0.11 0.00 0.00 41.96 38.93 1xwq s TYR 400 CO 0.11 -0.72 1.10 -0.80 -1.11 0.00 0.00 175.55 174.13 1xwq s ASN 401 N 1.84 6.85 0.59 2.29 0.01 -1.26 -4.55 114.94 120.71 1xwq s ASN 401 Ca 0.03 2.21 -0.15 0.00 -0.71 0.00 0.00 52.86 54.24 1xwq s ASN 401 Cb -0.21 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.80 1xwq s ASN 401 CO 0.06 -0.44 1.03 0.20 -1.51 0.00 0.00 177.10 176.44 1xwq s ASN 402 N -1.21 6.05 -0.09 -1.22 -0.87 -1.26 -4.80 114.94 111.54 1xwq s ASN 402 Ca 0.53 1.65 -0.00 0.00 -1.57 0.00 0.00 52.86 53.47 1xwq s ASN 402 Cb -0.28 -2.51 -0.03 0.00 -0.02 0.00 0.00 41.25 38.41 1xwq s ASN 402 CO 0.35 -0.98 -0.06 0.42 -2.57 0.00 0.00 177.10 174.26 1xwq s THR 403 N -2.70 3.76 0.00 1.60 -4.23 -1.26 -5.00 115.64 107.81 1xwq s THR 403 Ca 0.60 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 1xwq s THR 403 Cb -0.13 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1xwq s THR 403 CO 0.40 0.58 0.43 0.49 -0.54 0.00 0.00 174.62 175.98