#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wsq s LYS 3 N 0.00 3.78 1.08 -1.46 1.02 -1.26 -5.02 119.74 117.89 2wsq s LYS 3 Ca 0.00 2.40 -0.17 0.00 0.02 0.00 0.00 55.97 58.22 2wsq s LYS 3 Cb 0.00 -2.71 0.24 0.00 -0.52 0.00 0.00 37.83 34.84 2wsq s LYS 3 CO 0.00 -0.73 1.20 -1.25 -0.92 0.00 0.00 175.35 173.64 2wsq s PRO 4 N -2.37 -0.28 0.11 -1.68 0.04 -1.26 -4.94 135.00 124.62 2wsq s PRO 4 Ca 0.59 -0.17 -0.34 0.00 0.04 0.00 0.00 61.00 61.12 2wsq s PRO 4 Cb -0.43 -1.72 -0.14 0.00 0.04 0.00 0.00 34.50 32.25 2wsq s PRO 4 CO 0.56 -3.07 1.61 0.94 0.04 0.00 0.00 177.00 177.08 2wsq n GLN 5 N -4.28 2.05 -1.71 4.56 7.27 -1.26 -4.96 117.38 119.05 2wsq n GLN 5 Ca 0.13 0.74 -0.31 0.00 0.07 0.00 0.00 57.00 57.64 2wsq n GLN 5 Cb 0.59 -2.51 0.03 0.00 2.41 0.00 0.00 30.24 30.77 2wsq n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2wsq s PRO 6 N 1.40 3.18 -0.03 3.69 0.04 -1.26 -4.91 135.00 137.10 2wsq s PRO 6 Ca 0.82 0.84 0.04 0.00 0.04 0.00 0.00 61.00 62.73 2wsq s PRO 6 Cb -0.71 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 31.80 2wsq s PRO 6 CO 0.41 -0.90 -0.14 0.42 0.04 0.00 0.00 177.00 176.83 2wsq s ILE 7 N -3.12 1.19 -0.31 0.56 1.01 -0.65 -1.65 121.20 118.23 2wsq s ILE 7 Ca 0.57 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.63 2wsq s ILE 7 Cb -0.13 -1.02 0.08 0.00 0.01 0.00 0.00 42.46 41.40 2wsq s ILE 7 CO 0.54 0.35 0.01 0.00 0.00 0.00 0.00 174.94 175.84 2wsq s ALA 8 N -0.01 2.81 -0.13 9.38 0.00 -0.53 -1.13 121.76 132.14 2wsq s ALA 8 Ca -0.01 -2.11 -0.04 0.00 0.00 0.00 0.00 51.96 49.80 2wsq s ALA 8 Cb -0.09 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 2wsq s ALA 8 CO 0.01 -1.45 0.01 0.00 0.00 0.00 0.00 175.76 174.33 2wsq s ALA 9 N 1.08 3.27 -0.13 0.00 0.00 0.93 -1.14 121.76 125.77 2wsq s ALA 9 Ca 0.00 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.19 2wsq s ALA 9 Cb -0.20 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 2wsq s ALA 9 CO -0.05 0.39 -0.16 0.00 0.00 0.00 0.00 175.76 175.95 2wsq s ALA 10 N -0.26 2.50 -0.25 0.00 0.00 0.16 -0.12 121.76 123.79 2wsq s ALA 10 Ca 0.06 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 2wsq s ALA 10 Cb -0.12 -1.12 0.03 0.00 0.00 0.00 0.00 23.12 21.91 2wsq s ALA 10 CO 0.02 0.22 -0.06 1.21 0.00 0.00 0.00 175.76 177.15 2wsq s ASN 11 N 0.41 4.35 -0.16 0.00 3.84 -0.01 -0.27 114.94 123.11 2wsq s ASN 11 Ca -0.12 -0.96 -0.07 0.00 0.21 0.00 0.00 52.86 51.92 2wsq s ASN 11 Cb -0.16 -1.65 -0.04 0.00 -0.55 0.00 0.00 41.25 38.84 2wsq s ASN 11 CO 0.06 -0.15 0.09 0.26 -2.79 0.00 0.00 177.10 174.57 2wsq s TRP 12 N 1.30 3.36 -0.44 0.43 0.51 -0.01 -4.55 118.94 119.54 2wsq s TRP 12 Ca -0.01 0.26 0.02 0.00 -2.12 0.00 0.00 56.10 54.25 2wsq s TRP 12 Cb -0.17 -2.03 0.19 0.00 -0.81 0.00 0.00 33.47 30.65 2wsq s TRP 12 CO -0.04 0.37 0.83 0.15 -0.51 0.00 0.00 176.95 177.74 2wsq s LYS 13 N -0.11 0.73 0.00 4.98 1.02 -1.26 -3.11 119.74 121.99 2wsq s LYS 13 Ca 0.08 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.47 2wsq s LYS 13 Cb -0.12 -0.00 0.00 0.00 -0.52 0.00 0.00 37.83 37.19 2wsq s LYS 13 CO 0.01 -0.93 0.00 0.00 -0.92 0.00 0.00 175.35 173.50 2wsq n ASN 15 N -0.65 0.00 -4.58 0.00 3.02 -1.26 -4.72 115.26 107.08 2wsq n ASN 15 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.22 2wsq n ASN 15 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 2wsq n ASN 15 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2wsq s GLY 16 N 0.00 0.68 0.00 7.41 0.00 -1.26 -4.52 107.32 109.63 2wsq s GLY 16 Ca 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 44.72 42.43 2wsq s GLY 16 CO 0.00 3.24 0.00 -1.14 0.00 0.00 0.00 173.10 175.20 2wsq n SER 17 N 12.18 0.04 -0.17 1.64 3.41 -1.26 -4.79 113.62 124.67 2wsq n SER 17 Ca 0.44 -0.06 -0.03 0.00 -0.26 0.00 0.00 58.87 58.97 2wsq n SER 17 Cb 0.47 0.12 0.04 0.00 -0.26 0.00 0.00 64.21 64.58 2wsq n SER 17 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2wsq h GLN 18 N 0.00 -0.02 0.14 4.33 1.08 -1.99 0.71 115.11 119.35 2wsq h GLN 18 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2wsq h GLN 18 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2wsq h GLN 18 CO 0.00 -0.01 -0.07 0.37 -0.95 0.00 0.00 178.83 178.17 2wsq h GLN 19 N -0.02 -0.18 -0.40 1.46 4.15 -1.98 -0.30 115.11 117.84 2wsq h GLN 19 Ca 0.25 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.71 2wsq h GLN 19 Cb 0.41 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.11 2wsq h GLN 19 CO -0.56 0.07 0.22 0.66 -1.93 0.00 0.00 178.83 177.29 2wsq h SER 20 N -0.41 0.35 -0.07 -0.69 4.64 -1.65 0.11 113.55 115.83 2wsq h SER 20 Ca -0.02 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2wsq h SER 20 Cb 0.33 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2wsq h SER 20 CO 0.03 0.25 0.01 -0.07 -0.87 0.00 0.00 176.83 176.18 2wsq h LEU 21 N 0.45 0.11 -0.78 5.97 3.38 0.35 -2.31 115.31 122.48 2wsq h LEU 21 Ca 0.17 -0.28 0.17 0.00 0.09 0.00 0.00 57.88 58.03 2wsq h LEU 21 Cb 0.04 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 40.65 2wsq h LEU 21 CO -0.09 0.36 0.25 -1.28 0.09 0.00 0.00 178.44 177.77 2wsq h SER 22 N -0.14 0.14 -0.35 -0.43 0.87 -0.74 0.37 113.55 113.26 2wsq h SER 22 Ca 0.02 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2wsq h SER 22 Cb 0.30 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 2wsq h SER 22 CO 0.00 -0.00 0.22 -0.33 -0.53 0.00 0.00 176.83 176.19 2wsq h GLU 23 N 0.34 0.47 -0.36 2.24 5.08 -0.58 -2.09 114.58 119.67 2wsq h GLU 23 Ca 0.45 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.79 2wsq h GLU 23 Cb 0.77 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 2wsq h GLU 23 CO -0.50 0.34 0.20 -0.07 -1.00 0.00 0.00 179.01 177.98 2wsq h LEU 24 N 0.47 0.31 0.12 1.33 3.38 -0.64 0.56 115.31 120.84 2wsq h LEU 24 Ca 0.13 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2wsq h LEU 24 Cb -0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2wsq h LEU 24 CO -0.03 0.23 -0.10 0.40 0.09 0.00 0.00 178.44 179.03 2wsq h ILE 25 N 0.41 0.78 -0.77 1.22 2.04 -0.84 0.19 117.51 120.54 2wsq h ILE 25 Ca 0.15 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.17 2wsq h ILE 25 Cb 0.03 0.78 -0.10 0.00 -0.74 0.00 0.00 36.82 36.78 2wsq h ILE 25 CO -0.08 0.00 0.28 0.44 0.00 0.00 0.00 178.15 178.78 2wsq h ASP 26 N -0.23 0.20 -0.88 1.72 3.45 -1.24 0.30 116.42 119.74 2wsq h ASP 26 Ca -0.00 0.13 0.02 0.00 0.43 0.00 0.00 57.03 57.61 2wsq h ASP 26 Cb 0.21 0.13 -0.05 0.00 -0.56 0.00 0.00 39.33 39.06 2wsq h ASP 26 CO -0.01 0.04 0.58 0.25 -1.57 0.00 0.00 179.24 178.53 2wsq h LEU 27 N 0.38 0.97 -0.06 1.55 5.85 0.59 -2.49 115.31 122.11 2wsq h LEU 27 Ca 0.44 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 59.04 2wsq h LEU 27 Cb 0.72 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 41.52 2wsq h LEU 27 CO -0.46 0.68 -0.37 -0.26 -0.34 0.00 0.00 178.44 177.70 2wsq h PHE 28 N 1.14 0.48 -0.89 1.25 0.04 0.10 -2.99 116.94 116.08 2wsq h PHE 28 Ca 0.34 -0.22 0.18 0.00 2.80 0.00 0.00 57.97 61.07 2wsq h PHE 28 Cb -0.05 -0.07 -0.07 0.00 2.20 0.00 0.00 35.95 37.96 2wsq h PHE 28 CO -0.01 0.98 0.58 -0.91 -0.60 0.00 0.00 178.31 178.35 2wsq h ASN 29 N -0.15 0.50 0.18 2.17 2.35 -0.40 -0.83 115.58 119.39 2wsq h ASN 29 Ca -0.03 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2wsq h ASN 29 Cb 1.04 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.36 2wsq h ASN 29 CO 0.08 0.22 -0.25 -1.54 -1.65 0.00 0.00 177.43 174.28 2wsq n SER 30 N -4.54 1.22 -4.74 5.81 3.41 -0.95 -4.73 113.62 109.10 2wsq n SER 30 Ca 0.19 -1.04 -0.41 0.00 -0.26 0.00 0.00 58.87 57.34 2wsq n SER 30 Cb 0.61 0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 64.67 2wsq n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2wsq s THR 31 N -2.44 4.17 -0.23 6.66 2.01 -0.32 -5.04 115.64 120.46 2wsq s THR 31 Ca 0.25 1.93 -0.13 0.00 0.31 0.00 0.00 61.69 64.05 2wsq s THR 31 Cb 0.19 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2wsq s THR 31 CO 0.50 0.36 0.27 -0.94 -0.69 0.00 0.00 174.62 174.11 2wsq s SER 32 N -0.38 6.24 -0.30 3.53 1.04 -1.26 -5.03 113.70 117.54 2wsq s SER 32 Ca 0.46 0.27 0.02 0.00 0.48 0.00 0.00 55.95 57.18 2wsq s SER 32 Cb -0.26 -2.16 0.08 0.00 0.10 0.00 0.00 66.02 63.77 2wsq s SER 32 CO 0.32 -0.01 -0.02 -0.63 0.98 0.00 0.00 173.24 173.88 2wsq s ILE 33 N 1.26 2.37 0.00 -1.02 1.01 -1.26 -5.04 121.20 118.51 2wsq s ILE 33 Ca 0.12 -1.89 0.00 0.00 0.00 0.00 0.00 60.65 58.89 2wsq s ILE 33 Cb -0.14 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.80 2wsq s ILE 33 CO 0.06 -0.28 0.79 -0.46 0.00 0.00 0.00 174.94 175.06 2wsq n ASN 34 N 4.40 0.00 -4.14 3.58 6.94 -1.26 -4.90 115.26 119.88 2wsq n ASN 34 Ca -0.07 0.79 -0.30 0.00 -0.02 0.00 0.00 54.58 54.99 2wsq n ASN 34 Cb 0.42 -0.29 0.19 0.00 -2.36 0.00 0.00 39.78 37.74 2wsq n ASN 34 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 2wsq s HIS 35 N -2.18 1.39 -0.37 -2.53 -3.43 -1.26 -5.01 115.29 101.90 2wsq s HIS 35 Ca 0.00 0.47 -0.27 0.00 -0.80 0.00 0.00 55.06 54.46 2wsq s HIS 35 Cb 0.00 -3.77 0.02 0.00 -1.43 0.00 0.00 32.58 27.39 2wsq s HIS 35 CO 0.00 -3.00 0.97 0.34 -2.00 0.00 0.00 174.74 171.05 2wsq s ASP 36 N -4.42 6.71 -0.18 7.38 2.15 -1.26 -5.00 116.67 122.05 2wsq s ASP 36 Ca 0.71 0.63 -0.17 0.00 0.43 0.00 0.00 52.55 54.16 2wsq s ASP 36 Cb -0.08 -2.48 0.05 0.00 -0.30 0.00 0.00 42.92 40.11 2wsq s ASP 36 CO 0.54 -0.90 0.48 0.54 -0.17 0.00 0.00 175.17 175.66 2wsq s VAL 37 N 3.60 -0.00 -0.30 1.11 0.11 -1.26 -4.35 120.40 119.30 2wsq s VAL 37 Ca 0.40 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.34 2wsq s VAL 37 Cb -0.11 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 2wsq s VAL 37 CO 0.19 0.00 0.19 -1.58 -3.33 0.00 0.00 175.10 170.58 2wsq s GLN 38 N 0.27 3.76 -0.04 1.54 2.00 -0.66 -4.89 119.66 121.65 2wsq s GLN 38 Ca -0.00 -0.45 -0.05 0.00 -2.00 0.00 0.00 55.36 52.86 2wsq s GLN 38 Cb -0.03 -3.68 -0.04 0.00 0.80 0.00 0.00 33.01 30.06 2wsq s GLN 38 CO 0.00 -0.27 0.19 0.00 -0.50 0.00 0.00 175.29 174.72 2wsq s VAL 40 N -1.21 0.86 -0.13 0.00 1.01 -0.29 -1.13 120.40 119.50 2wsq s VAL 40 Ca 0.23 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2wsq s VAL 40 Cb -0.13 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.52 2wsq s VAL 40 CO 0.13 0.26 -0.14 -0.69 0.00 0.00 0.00 175.10 174.66 2wsq s VAL 41 N 0.07 1.50 -0.74 2.92 1.01 0.03 0.40 120.40 125.58 2wsq s VAL 41 Ca -0.01 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 2wsq s VAL 41 Cb -0.08 -1.40 0.18 0.00 0.00 0.00 0.00 36.38 35.09 2wsq s VAL 41 CO 0.00 0.44 0.57 0.00 0.00 0.00 0.00 175.10 176.12 2wsq s ALA 42 N 1.34 3.86 0.81 5.51 0.00 0.63 -0.88 121.76 133.03 2wsq s ALA 42 Ca 0.01 -3.60 -0.12 0.00 0.00 0.00 0.00 51.96 48.25 2wsq s ALA 42 Cb -0.13 -2.60 0.08 0.00 0.00 0.00 0.00 23.12 20.46 2wsq s ALA 42 CO -0.07 -2.12 1.13 -1.25 0.00 0.00 0.00 175.76 173.45 2wsq s PRO 43 N -0.84 2.01 0.50 0.00 0.04 -1.26 -0.83 135.00 134.62 2wsq s PRO 43 Ca 0.22 0.36 -0.22 0.00 0.04 0.00 0.00 61.00 61.41 2wsq s PRO 43 Cb -0.13 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 2wsq s PRO 43 CO -0.09 -1.61 1.18 -1.54 0.04 0.00 0.00 177.00 174.98 2wsq s SER 44 N -4.23 5.91 0.32 6.66 1.04 -1.18 -4.66 113.70 117.55 2wsq s SER 44 Ca 0.61 2.33 0.04 0.00 0.48 0.00 0.00 55.95 59.41 2wsq s SER 44 Cb -0.13 -2.60 0.82 0.00 0.10 0.00 0.00 66.02 64.21 2wsq s SER 44 CO 0.52 -1.10 1.57 0.15 0.98 0.00 0.00 173.24 175.36 2wsq h PHE 45 N 1.72 0.04 0.00 5.02 3.57 -1.93 0.22 116.94 125.58 2wsq h PHE 45 Ca -0.50 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2wsq h PHE 45 Cb 1.26 0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.15 2wsq h PHE 45 CO 0.52 -0.44 0.12 -0.24 -2.23 0.00 0.00 178.31 176.03 2wsq h VAL 46 N 0.01 0.00 -0.09 1.41 3.04 -2.02 -0.70 116.25 117.90 2wsq h VAL 46 Ca 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.32 2wsq h VAL 46 Cb 1.34 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 2wsq h VAL 46 CO -0.91 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 177.06 2wsq n HIS 47 N -2.90 0.32 0.26 3.17 8.25 0.77 -4.80 115.22 120.29 2wsq n HIS 47 Ca -0.02 -0.92 -0.13 0.00 -0.26 0.00 0.00 57.72 56.39 2wsq n HIS 47 Cb 0.18 -0.19 -0.07 0.00 1.12 0.00 0.00 29.99 31.03 2wsq n HIS 47 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2wsq h LEU 48 N 0.64 -0.88 -0.71 2.41 5.85 -0.94 -2.29 115.31 119.40 2wsq h LEU 48 Ca 0.00 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.83 2wsq h LEU 48 Cb 1.11 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 42.35 2wsq h LEU 48 CO 0.07 -0.49 0.41 0.00 -0.34 0.00 0.00 178.44 178.10 2wsq h ALA 49 N -1.33 0.95 -0.33 1.25 0.00 -1.87 -1.18 119.26 116.74 2wsq h ALA 49 Ca -0.06 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2wsq h ALA 49 Cb 0.63 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2wsq h ALA 49 CO 0.03 0.12 0.06 1.98 0.00 0.00 0.00 179.25 181.44 2wsq h MET 50 N 0.77 0.16 -0.59 0.00 1.85 -1.90 -0.75 114.93 114.47 2wsq h MET 50 Ca 0.31 -0.01 -0.10 0.00 -0.61 0.00 0.00 59.70 59.29 2wsq h MET 50 Cb 0.15 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.12 2wsq h MET 50 CO -0.16 0.11 -0.01 1.15 -0.40 0.00 0.00 176.91 177.60 2wsq h THR 51 N 0.17 1.26 0.00 -0.77 2.02 -0.94 -2.01 112.91 112.63 2wsq h THR 51 Ca 0.16 -1.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.15 2wsq h THR 51 Cb 0.18 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2wsq h THR 51 CO -0.22 0.42 -0.15 0.50 0.37 0.00 0.00 175.52 176.44 2wsq h LYS 52 N 0.95 0.00 0.00 6.66 3.64 -0.82 -0.94 116.57 126.06 2wsq h LYS 52 Ca 0.17 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 2wsq h LYS 52 Cb 0.56 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2wsq h LYS 52 CO 0.03 0.15 -1.25 1.05 -2.27 0.00 0.00 179.45 177.16 2wsq h GLU 53 N 0.00 0.00 0.00 1.90 4.11 -0.64 -3.40 114.58 116.55 2wsq h GLU 53 Ca -0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.10 2wsq h GLU 53 Cb 0.59 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 2wsq h GLU 53 CO 0.02 0.23 -2.24 0.54 0.07 0.00 0.00 179.01 177.63 2wsq n ARG 54 N -2.87 0.96 -2.44 1.06 5.12 -0.80 -4.95 116.66 112.74 2wsq n ARG 54 Ca -0.07 0.03 -0.42 0.00 -1.93 0.00 0.00 57.85 55.46 2wsq n ARG 54 Cb 0.77 -1.46 -0.03 0.00 -1.16 0.00 0.00 32.46 30.58 2wsq n ARG 54 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2wsq s LEU 55 N -5.57 4.42 0.00 0.55 2.96 -0.38 -4.89 118.68 115.77 2wsq s LEU 55 Ca -0.14 2.08 0.00 0.00 -0.22 0.00 0.00 54.13 55.85 2wsq s LEU 55 Cb 0.06 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.16 2wsq s LEU 55 CO 0.68 -0.38 0.00 -1.54 -1.32 0.00 0.00 176.35 173.79 2wsq n SER 56 N 3.18 0.00 -4.65 3.68 3.41 -1.26 -4.90 113.62 113.08 2wsq n SER 56 Ca 0.06 -0.47 -0.47 0.00 -0.26 0.00 0.00 58.87 57.73 2wsq n SER 56 Cb 0.46 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 2wsq n SER 56 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2wsq n HIS 57 N 0.00 2.13 0.27 7.33 -0.00 -1.26 -4.85 115.22 118.84 2wsq n HIS 57 Ca 0.00 0.35 0.13 0.00 -0.00 0.00 0.00 57.72 58.20 2wsq n HIS 57 Cb 0.12 -2.50 0.65 0.00 -0.00 0.00 0.00 29.99 28.26 2wsq n HIS 57 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2wsq h PRO 58 N 5.56 0.00 -0.60 1.57 0.13 -1.98 -2.64 132.00 134.04 2wsq h PRO 58 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2wsq h PRO 58 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2wsq h PRO 58 CO 0.86 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.26 2wsq n LYS 59 N -2.44 4.72 -4.79 0.86 5.02 -1.26 -4.95 118.16 115.33 2wsq n LYS 59 Ca -0.00 -3.12 -0.26 0.00 -2.02 0.00 0.00 58.31 52.91 2wsq n LYS 59 Cb 0.13 -2.21 -0.16 0.00 -0.02 0.00 0.00 35.03 32.77 2wsq n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2wsq s PHE 60 N -2.60 1.67 0.22 2.13 0.40 -1.00 -0.25 117.98 118.55 2wsq s PHE 60 Ca 0.54 -0.52 0.09 0.00 -0.60 0.00 0.00 56.93 56.44 2wsq s PHE 60 Cb 0.40 -1.14 -0.05 0.00 0.51 0.00 0.00 43.02 42.74 2wsq s PHE 60 CO 0.18 -0.20 -0.15 0.14 0.70 0.00 0.00 175.22 175.89 2wsq s VAL 61 N 0.18 1.89 -0.07 -0.44 -7.23 -0.29 -4.87 120.40 109.58 2wsq s VAL 61 Ca -0.07 -2.25 -0.05 0.00 -1.81 0.00 0.00 61.98 57.81 2wsq s VAL 61 Cb -0.13 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 2wsq s VAL 61 CO 0.03 -0.54 0.15 -0.63 -0.31 0.00 0.00 175.10 173.80 2wsq s ILE 62 N -2.88 5.37 0.06 -0.62 1.01 -1.26 -0.79 121.20 122.09 2wsq s ILE 62 Ca 0.24 0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.95 2wsq s ILE 62 Cb -0.01 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 2wsq s ILE 62 CO 0.09 0.49 -0.14 0.00 0.00 0.00 0.00 174.94 175.37 2wsq s ALA 63 N -1.15 1.20 0.08 9.38 0.00 -0.06 -3.63 121.76 127.59 2wsq s ALA 63 Ca 0.20 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 2wsq s ALA 63 Cb -0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 2wsq s ALA 63 CO 0.10 0.20 0.26 0.00 0.00 0.00 0.00 175.76 176.33 2wsq s ALA 64 N -1.05 3.94 -0.12 0.00 0.00 0.83 -4.12 121.76 121.24 2wsq s ALA 64 Ca 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 2wsq s ALA 64 Cb -0.09 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 2wsq s ALA 64 CO 0.02 0.78 0.03 -0.65 0.00 0.00 0.00 175.76 175.94 2wsq s GLN 65 N -2.54 3.36 -1.13 0.00 -0.21 -1.26 0.03 119.66 117.91 2wsq s GLN 65 Ca 0.37 -0.36 -0.25 0.00 0.02 0.00 0.00 55.36 55.13 2wsq s GLN 65 Cb -0.13 -2.97 0.02 0.00 1.00 0.00 0.00 33.01 30.94 2wsq s GLN 65 CO 0.27 0.57 0.71 0.09 -2.12 0.00 0.00 175.29 174.80 2wsq n ASN 66 N 2.58 -4.68 -4.57 5.90 5.03 -0.07 -4.90 115.26 114.54 2wsq n ASN 66 Ca -0.18 -1.15 -0.43 0.00 0.87 0.00 0.00 54.58 53.70 2wsq n ASN 66 Cb 0.53 -2.24 -0.05 0.00 -1.02 0.00 0.00 39.78 37.01 2wsq n ASN 66 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wsq s ALA 67 N -3.42 3.35 -0.58 5.41 0.00 -1.26 -4.95 121.76 120.31 2wsq s ALA 67 Ca 0.41 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.63 2wsq s ALA 67 Cb -0.20 -3.44 0.25 0.00 0.00 0.00 0.00 23.12 19.73 2wsq s ALA 67 CO 0.93 -1.73 0.70 0.41 0.00 0.00 0.00 175.76 176.06 2wsq n GLY 68 N 4.76 4.36 0.00 0.00 0.00 -1.26 -4.97 105.19 108.08 2wsq n GLY 68 Ca 0.03 -2.49 0.00 0.00 0.00 0.00 0.00 46.02 43.56 2wsq n GLY 68 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wsq n ASN 69 N 0.97 0.00 -0.31 1.61 4.05 -1.26 -4.96 115.26 115.36 2wsq n ASN 69 Ca 0.28 0.00 -0.03 0.00 0.45 0.00 0.00 54.58 55.28 2wsq n ASN 69 Cb 0.44 0.00 0.12 0.00 1.23 0.00 0.00 39.78 41.57 2wsq n ASN 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2wsq h ALA 70 N 0.00 1.24 -0.23 5.20 0.00 -2.00 -1.40 119.26 122.07 2wsq h ALA 70 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2wsq h ALA 70 Cb 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2wsq h ALA 70 CO 0.00 0.63 -0.42 -0.44 0.00 0.00 0.00 179.25 179.03 2wsq h ASP 71 N 1.22 0.57 0.05 0.00 5.19 -2.00 -2.94 116.42 118.51 2wsq h ASP 71 Ca 0.31 -0.26 -0.18 0.00 -0.62 0.00 0.00 57.03 56.29 2wsq h ASP 71 Cb -0.01 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.33 2wsq h ASP 71 CO -0.05 0.92 -0.63 1.23 -3.12 0.00 0.00 179.24 177.58 2wsq h GLY 72 N 1.07 0.62 0.98 2.75 0.00 -1.76 -2.72 103.07 104.01 2wsq h GLY 72 Ca 0.04 -0.79 -0.08 0.00 0.00 0.00 0.00 47.33 46.50 2wsq h GLY 72 CO 0.08 0.70 -0.06 1.41 0.00 0.00 0.00 176.54 178.68 2wsq h LEU 80 N 0.42 0.78 -0.43 3.11 3.38 -1.17 -2.18 115.31 119.22 2wsq h LEU 80 Ca -0.01 -0.34 0.06 0.00 0.09 0.00 0.00 57.88 57.68 2wsq h LEU 80 Cb 1.20 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 2wsq h LEU 80 CO 0.12 0.94 0.14 0.00 0.09 0.00 0.00 178.44 179.73 2wsq h ALA 81 N 0.87 0.51 -0.16 1.53 0.00 -1.54 0.53 119.26 121.01 2wsq h ALA 81 Ca 0.11 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2wsq h ALA 81 Cb 0.57 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2wsq h ALA 81 CO 0.03 -0.25 -0.03 0.77 0.00 0.00 0.00 179.25 179.78 2wsq h SER 82 N 0.30 -0.12 -0.45 0.00 0.02 -1.38 -0.95 113.55 110.96 2wsq h SER 82 Ca 0.21 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.21 2wsq h SER 82 Cb 0.21 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 2wsq h SER 82 CO -0.22 -0.04 0.29 -0.07 -1.14 0.00 0.00 176.83 175.65 2wsq h LEU 83 N 0.02 0.49 -0.89 5.07 4.07 -0.65 -0.00 115.31 123.42 2wsq h LEU 83 Ca 0.08 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 2wsq h LEU 83 Cb 0.11 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 41.69 2wsq h LEU 83 CO -0.15 0.35 0.52 0.50 -1.08 0.00 0.00 178.44 178.57 2wsq h LYS 84 N 0.59 1.22 -0.10 1.13 1.63 0.25 0.83 116.57 122.12 2wsq h LYS 84 Ca 0.17 -0.13 -0.19 0.00 -0.85 0.00 0.00 60.65 59.65 2wsq h LYS 84 Cb -0.04 -0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 31.34 2wsq h LYS 84 CO -0.05 0.87 -0.74 -0.44 -3.45 0.00 0.00 179.45 175.65 2wsq h ASP 85 N 1.23 0.59 0.13 4.20 3.45 -0.94 -2.90 116.42 122.18 2wsq h ASP 85 Ca 0.32 -0.38 0.00 0.00 0.43 0.00 0.00 57.03 57.39 2wsq h ASP 85 Cb -0.02 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.58 2wsq h ASP 85 CO -0.06 1.13 0.00 0.33 -1.57 0.00 0.00 179.24 179.08 2wsq n PHE 86 N -3.86 0.00 -0.62 4.55 7.35 -0.04 -4.87 117.46 119.97 2wsq n PHE 86 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 2wsq n PHE 86 Cb 0.71 -0.14 0.00 0.00 0.35 0.00 0.00 39.48 40.41 2wsq n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2wsq n GLY 87 N -0.09 0.70 3.65 7.13 0.00 -0.96 -5.04 105.19 110.58 2wsq n GLY 87 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 2wsq n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wsq s VAL 88 N -2.03 5.07 -0.52 1.61 1.01 0.24 -4.95 120.40 120.83 2wsq s VAL 88 Ca 0.00 1.02 0.05 0.00 0.00 0.00 0.00 61.98 63.04 2wsq s VAL 88 Cb 0.00 -3.87 0.08 0.00 0.00 0.00 0.00 36.38 32.59 2wsq s VAL 88 CO 0.00 0.14 0.87 0.59 0.00 0.00 0.00 175.10 176.70 2wsq n ASN 89 N 5.00 1.87 -4.23 3.32 4.13 -1.26 -3.87 115.26 120.23 2wsq n ASN 89 Ca -0.04 -1.57 -0.24 0.00 1.68 0.00 0.00 54.58 54.41 2wsq n ASN 89 Cb 0.50 -0.05 -0.14 0.00 -1.54 0.00 0.00 39.78 38.55 2wsq n ASN 89 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2wsq s TRP 90 N -0.68 1.69 0.00 3.10 0.52 -1.24 -1.15 118.94 121.18 2wsq s TRP 90 Ca 0.08 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 55.84 2wsq s TRP 90 Cb 0.05 -1.01 -0.01 0.00 -1.15 0.00 0.00 33.47 31.35 2wsq s TRP 90 CO 0.07 0.08 -0.03 0.96 0.02 0.00 0.00 176.95 178.04 2wsq s ILE 91 N -0.79 0.20 -0.15 2.03 -4.36 -0.75 -0.12 121.20 117.26 2wsq s ILE 91 Ca 0.06 -0.28 -0.00 0.00 -0.26 0.00 0.00 60.65 60.17 2wsq s ILE 91 Cb -0.09 -0.21 -0.01 0.00 1.25 0.00 0.00 42.46 43.41 2wsq s ILE 91 CO 0.02 -0.05 -0.14 -0.69 0.24 0.00 0.00 174.94 174.31 2wsq s VAL 92 N -0.33 2.85 -0.37 8.37 1.01 0.10 -1.23 120.40 130.79 2wsq s VAL 92 Ca -0.02 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 2wsq s VAL 92 Cb -0.03 -2.20 0.06 0.00 0.00 0.00 0.00 36.38 34.21 2wsq s VAL 92 CO -0.00 0.51 0.16 -0.76 0.00 0.00 0.00 175.10 175.02 2wsq s LEU 93 N 0.68 4.70 -1.35 3.92 1.43 -0.32 -0.90 118.68 126.84 2wsq s LEU 93 Ca -0.07 -1.38 -0.12 0.00 -1.03 0.00 0.00 54.13 51.53 2wsq s LEU 93 Cb -0.16 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 2wsq s LEU 93 CO 0.02 -0.42 2.43 0.61 0.23 0.00 0.00 176.35 179.22 2wsq n GLY 94 N 4.81 3.92 0.20 -3.19 0.00 -1.26 -1.74 105.19 107.94 2wsq n GLY 94 Ca -0.10 -1.41 -0.17 0.00 0.00 0.00 0.00 46.02 44.34 2wsq n GLY 94 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2wsq h HIS 95 N 5.94 0.97 -0.93 1.61 6.17 -1.88 -2.56 115.15 124.48 2wsq h HIS 95 Ca 0.65 -0.47 0.07 0.00 0.71 0.00 0.00 60.37 61.33 2wsq h HIS 95 Cb 0.45 -0.13 -0.06 0.00 2.52 0.00 0.00 27.41 30.18 2wsq h HIS 95 CO 1.66 1.29 0.60 0.66 0.71 0.00 0.00 177.93 182.85 2wsq h SER 96 N 0.44 0.92 -0.08 3.26 4.64 -1.48 0.26 113.55 121.51 2wsq h SER 96 Ca -0.08 0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 61.01 2wsq h SER 96 Cb 1.50 -0.19 0.02 0.00 -0.31 0.00 0.00 62.40 63.42 2wsq h SER 96 CO 0.17 0.58 -0.90 -0.33 -0.87 0.00 0.00 176.83 175.49 2wsq h GLU 97 N 1.04 0.76 -0.15 4.77 5.08 -1.85 -2.76 114.58 121.47 2wsq h GLU 97 Ca 0.40 -0.70 -0.16 0.00 -1.00 0.00 0.00 59.36 57.90 2wsq h GLU 97 Cb 0.22 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2wsq h GLU 97 CO -0.16 1.29 -0.57 0.00 -1.00 0.00 0.00 179.01 178.57 2wsq h ARG 98 N 0.48 0.49 0.20 2.33 3.08 -1.01 0.16 114.38 120.10 2wsq h ARG 98 Ca -0.09 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.65 2wsq h ARG 98 Cb 1.54 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.62 2wsq h ARG 98 CO 0.18 0.92 -0.17 -0.09 -1.07 0.00 0.00 179.97 179.75 2wsq h ARG 99 N 0.37 -0.37 -0.13 0.04 2.43 -0.57 0.20 114.38 116.35 2wsq h ARG 99 Ca 0.00 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2wsq h ARG 99 Cb 1.11 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 2wsq h ARG 99 CO 0.10 -0.25 0.03 0.00 -1.51 0.00 0.00 179.97 178.35 2wsq h ALA 100 N 0.38 0.17 0.22 2.80 0.00 -1.36 -1.36 119.26 120.12 2wsq h ALA 100 Ca -0.01 -0.14 -0.35 0.00 0.00 0.00 0.00 54.91 54.41 2wsq h ALA 100 Cb 0.35 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.12 2wsq h ALA 100 CO -0.02 -0.19 -1.62 1.88 0.00 0.00 0.00 179.25 179.29 2wsq h TYR 101 N 0.00 0.86 -0.05 0.00 0.99 -0.70 -3.39 116.97 114.69 2wsq h TYR 101 Ca 0.04 -0.63 0.00 0.00 2.00 0.00 0.00 58.73 60.14 2wsq h TYR 101 Cb 0.26 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 37.96 2wsq h TYR 101 CO 0.01 1.63 0.00 0.66 -0.00 0.00 0.00 178.16 180.46 2wsq n TYR 102 N -3.66 0.06 -1.05 4.88 0.53 0.64 -5.00 117.16 113.56 2wsq n TYR 102 Ca -0.21 -0.20 -0.02 0.00 -1.02 0.00 0.00 57.90 56.45 2wsq n TYR 102 Cb 1.09 -0.02 -0.01 0.00 -1.03 0.00 0.00 39.34 39.38 2wsq n TYR 102 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2wsq n GLY 103 N 0.05 0.53 3.69 2.72 0.00 -0.51 -4.95 105.19 106.72 2wsq n GLY 103 Ca 0.03 -0.44 -0.44 0.00 0.00 0.00 0.00 46.02 45.16 2wsq n GLY 103 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wsq n GLU 104 N -2.60 2.35 -2.36 1.61 2.13 -0.94 -4.90 120.64 115.93 2wsq n GLU 104 Ca -0.02 0.84 -0.28 0.00 0.66 0.00 0.00 57.16 58.36 2wsq n GLU 104 Cb 0.10 -2.60 0.01 0.00 0.27 0.00 0.00 31.44 29.22 2wsq n GLU 104 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2wsq s THR 105 N 0.51 4.56 0.33 6.31 -4.23 -1.26 -4.19 115.64 117.67 2wsq s THR 105 Ca 0.72 0.35 0.17 0.00 -1.18 0.00 0.00 61.69 61.75 2wsq s THR 105 Cb -0.60 -3.77 0.14 0.00 1.34 0.00 0.00 72.50 69.61 2wsq s THR 105 CO 0.42 -0.85 1.85 0.78 -0.54 0.00 0.00 174.62 176.29 2wsq h ASN 106 N -0.03 0.00 0.11 3.99 -0.26 -1.97 -2.82 115.58 114.60 2wsq h ASN 106 Ca -0.46 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.12 2wsq h ASN 106 Cb 1.21 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.47 2wsq h ASN 106 CO 0.62 0.32 -0.61 -0.33 -1.06 0.00 0.00 177.43 176.37 2wsq h GLU 107 N 0.00 0.49 -0.23 0.81 3.07 -1.92 -1.90 114.58 114.90 2wsq h GLU 107 Ca -0.00 -0.33 -0.16 0.00 -0.50 0.00 0.00 59.36 58.36 2wsq h GLU 107 Cb 0.65 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.61 2wsq h GLU 107 CO 0.04 0.95 -0.52 0.97 -1.40 0.00 0.00 179.01 179.05 2wsq h ILE 108 N 0.36 1.31 -0.11 3.13 2.10 -1.89 -2.16 117.51 120.25 2wsq h ILE 108 Ca -0.01 -1.74 -0.13 0.00 1.08 0.00 0.00 64.86 64.06 2wsq h ILE 108 Cb 1.15 1.69 -0.01 0.00 -1.09 0.00 0.00 36.82 38.56 2wsq h ILE 108 CO 0.11 0.55 -0.52 1.62 -1.08 0.00 0.00 178.15 178.83 2wsq h VAL 109 N 0.50 1.35 -0.45 2.19 3.04 -1.49 -2.65 116.25 118.74 2wsq h VAL 109 Ca 0.02 -1.78 -0.09 0.00 -1.01 0.00 0.00 66.70 63.84 2wsq h VAL 109 Cb 1.07 1.84 -0.02 0.00 -2.01 0.00 0.00 31.29 32.17 2wsq h VAL 109 CO 0.10 0.53 -0.08 0.00 -1.01 0.00 0.00 177.57 177.11 2wsq h ALA 110 N 1.22 1.02 -0.24 3.17 0.00 -1.23 -1.78 119.26 121.41 2wsq h ALA 110 Ca 0.01 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 2wsq h ALA 110 Cb 0.99 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2wsq h ALA 110 CO 0.08 0.60 -0.24 -0.44 0.00 0.00 0.00 179.25 179.25 2wsq h ASP 111 N 0.72 0.45 -0.11 0.00 3.32 -1.27 -2.61 116.42 116.92 2wsq h ASP 111 Ca 0.13 -0.15 -0.19 0.00 0.02 0.00 0.00 57.03 56.84 2wsq h ASP 111 Cb 0.55 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 2wsq h ASP 111 CO 0.03 0.69 -0.61 0.11 -1.72 0.00 0.00 179.24 177.75 2wsq h LYS 112 N 0.41 0.72 -0.09 3.56 1.57 -1.25 -1.75 116.57 119.74 2wsq h LYS 112 Ca 0.06 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 2wsq h LYS 112 Cb 0.64 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 2wsq h LYS 112 CO 0.05 1.12 0.01 0.28 -0.57 0.00 0.00 179.45 180.33 2wsq h VAL 113 N 0.54 1.23 -0.84 0.50 2.07 -1.29 -0.75 116.25 117.71 2wsq h VAL 113 Ca -0.00 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 2wsq h VAL 113 Cb 1.20 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 2wsq h VAL 113 CO 0.12 0.20 0.48 0.00 0.02 0.00 0.00 177.57 178.39 2wsq h ALA 114 N 0.77 1.26 -0.55 1.67 0.00 -1.48 -1.25 119.26 119.67 2wsq h ALA 114 Ca 0.03 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2wsq h ALA 114 Cb 0.30 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2wsq h ALA 114 CO 0.00 0.61 0.09 0.00 0.00 0.00 0.00 179.25 179.95 2wsq h ALA 115 N 1.35 0.73 -0.21 0.00 0.00 -1.17 -0.85 119.26 119.10 2wsq h ALA 115 Ca 0.30 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2wsq h ALA 115 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2wsq h ALA 115 CO -0.05 0.47 -0.11 0.00 0.00 0.00 0.00 179.25 179.56 2wsq h ALA 116 N 0.99 0.30 -0.47 0.00 0.00 -0.87 -2.74 119.26 116.47 2wsq h ALA 116 Ca 0.17 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2wsq h ALA 116 Cb 0.41 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2wsq h ALA 116 CO 0.01 0.15 -0.01 0.28 0.00 0.00 0.00 179.25 179.68 2wsq h VAL 117 N 0.16 1.24 0.00 0.00 2.07 -1.19 -1.51 116.25 117.02 2wsq h VAL 117 Ca 0.05 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.55 2wsq h VAL 117 Cb 0.61 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2wsq h VAL 117 CO 0.03 0.36 0.00 0.00 0.02 0.00 0.00 177.57 177.98 2wsq h ALA 118 N 1.25 1.00 -0.18 1.67 0.00 -1.11 -2.16 119.26 119.72 2wsq h ALA 118 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wsq h ALA 118 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2wsq h ALA 118 CO 0.02 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.72 2wsq n SER 119 N -2.91 2.79 0.00 0.00 2.88 -0.82 -4.95 113.62 110.62 2wsq n SER 119 Ca 0.00 -1.89 0.00 0.00 -1.33 0.00 0.00 58.87 55.65 2wsq n SER 119 Cb 0.25 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 2wsq n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wsq n GLY 120 N 1.36 0.67 3.81 0.46 0.00 -0.81 -5.06 105.19 105.62 2wsq n GLY 120 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2wsq n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wsq s PHE 121 N -2.49 3.04 -0.09 1.61 0.40 -0.63 -5.00 117.98 114.82 2wsq s PHE 121 Ca 0.00 1.50 -0.17 0.00 -0.60 0.00 0.00 56.93 57.66 2wsq s PHE 121 Cb 0.00 -2.98 -0.05 0.00 0.51 0.00 0.00 43.02 40.50 2wsq s PHE 121 CO 0.00 -1.04 0.46 -1.64 0.70 0.00 0.00 175.22 173.70 2wsq s MET 122 N -4.09 4.26 -0.10 0.44 -1.94 -0.30 -4.30 119.30 113.27 2wsq s MET 122 Ca 0.63 0.44 0.04 0.00 -1.71 0.00 0.00 55.69 55.09 2wsq s MET 122 Cb -0.15 -3.39 0.00 0.00 2.01 0.00 0.00 34.83 33.30 2wsq s MET 122 CO 0.37 0.28 -0.22 0.08 -0.01 0.00 0.00 175.02 175.52 2wsq s VAL 123 N 0.22 1.95 -0.43 -6.03 1.01 -0.09 -1.80 120.40 115.22 2wsq s VAL 123 Ca 0.25 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 2wsq s VAL 123 Cb -0.16 -1.70 0.07 0.00 0.00 0.00 0.00 36.38 34.59 2wsq s VAL 123 CO 0.11 0.53 0.30 -0.63 0.00 0.00 0.00 175.10 175.42 2wsq s ILE 124 N 0.45 4.66 -0.28 2.22 1.01 -0.36 -0.33 121.20 128.56 2wsq s ILE 124 Ca -0.17 -1.19 -0.17 0.00 0.00 0.00 0.00 60.65 59.12 2wsq s ILE 124 Cb -0.17 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 2wsq s ILE 124 CO 0.07 -0.49 0.49 0.00 0.00 0.00 0.00 174.94 175.00 2wsq s ALA 125 N 1.53 3.56 -0.35 9.38 0.00 0.03 -1.17 121.76 134.73 2wsq s ALA 125 Ca 0.03 -0.75 -0.17 0.00 0.00 0.00 0.00 51.96 51.07 2wsq s ALA 125 Cb -0.23 -2.88 -0.00 0.00 0.00 0.00 0.00 23.12 20.00 2wsq s ALA 125 CO 0.05 -0.84 0.48 0.00 0.00 0.00 0.00 175.76 175.44 2wsq s ILE 127 N 2.30 2.16 0.00 0.00 -4.36 -0.28 -1.28 121.20 119.74 2wsq s ILE 127 Ca 0.17 -1.84 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 2wsq s ILE 127 Cb -0.16 -1.96 0.00 0.00 1.25 0.00 0.00 42.46 41.59 2wsq s ILE 127 CO 0.13 -0.05 0.00 0.61 0.24 0.00 0.00 174.94 175.87 2wsq n GLY 128 N 0.64 1.36 3.91 6.27 0.00 -1.26 -0.77 105.19 115.34 2wsq n GLY 128 Ca -0.16 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 44.82 2wsq n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wsq s GLU 129 N -2.00 2.66 0.64 1.61 1.03 -1.26 -4.78 118.70 116.59 2wsq s GLU 129 Ca 0.00 -1.41 -0.04 0.00 0.03 0.00 0.00 54.97 53.56 2wsq s GLU 129 Cb 0.00 -2.50 0.05 0.00 -0.80 0.00 0.00 34.13 30.87 2wsq s GLU 129 CO 0.00 -0.15 0.92 0.95 -1.33 0.00 0.00 175.26 175.64 2wsq s THR 130 N -2.40 2.57 0.16 1.83 -4.23 -1.26 -1.43 115.64 110.88 2wsq s THR 130 Ca 0.48 -0.38 -0.17 0.00 -1.18 0.00 0.00 61.69 60.44 2wsq s THR 130 Cb -0.05 -3.05 0.06 0.00 1.34 0.00 0.00 72.50 70.79 2wsq s THR 130 CO 0.29 -0.05 1.68 0.25 -0.54 0.00 0.00 174.62 176.25 2wsq h LEU 131 N -0.32 -0.29 -0.77 4.79 7.12 -1.96 -0.52 115.31 123.36 2wsq h LEU 131 Ca -0.44 0.10 0.07 0.00 0.13 0.00 0.00 57.88 57.74 2wsq h LEU 131 Cb 1.30 0.20 -0.06 0.00 -0.53 0.00 0.00 40.66 41.58 2wsq h LEU 131 CO 0.58 -0.10 0.45 1.56 -0.13 0.00 0.00 178.44 180.80 2wsq h GLN 132 N 0.02 0.80 -0.62 1.25 1.08 -1.98 0.21 115.11 115.86 2wsq h GLN 132 Ca 0.17 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.23 2wsq h GLN 132 Cb 0.26 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 2wsq h GLN 132 CO -0.35 0.53 0.01 0.93 -0.95 0.00 0.00 178.83 179.00 2wsq h GLU 133 N 0.82 1.08 -0.19 1.46 5.08 -1.81 -2.06 114.58 118.96 2wsq h GLU 133 Ca 0.35 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2wsq h GLU 133 Cb 0.21 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2wsq h GLU 133 CO -0.19 1.05 0.06 -0.09 -1.00 0.00 0.00 179.01 178.84 2wsq h ARG 134 N 0.99 0.29 0.00 2.33 9.65 -0.53 0.19 114.38 127.29 2wsq h ARG 134 Ca 0.18 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 2wsq h ARG 134 Cb 0.55 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 2wsq h ARG 134 CO 0.03 0.39 0.00 0.93 2.80 0.00 0.00 179.97 184.12 2wsq h GLU 135 N 0.13 0.00 -0.32 0.20 5.08 -0.56 -2.96 114.58 116.15 2wsq h GLU 135 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2wsq h GLU 135 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2wsq h GLU 135 CO -0.00 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.88 2wsq n SER 136 N -2.72 2.98 0.00 1.42 3.41 -0.78 -4.97 113.62 112.95 2wsq n SER 136 Ca -0.01 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 2wsq n SER 136 Cb 0.15 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2wsq n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wsq n GLY 137 N 0.98 0.72 0.23 5.00 0.00 -1.03 -4.97 105.19 106.12 2wsq n GLY 137 Ca 0.14 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.31 2wsq n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wsq n ARG 138 N -2.47 1.29 -0.17 1.61 1.74 0.64 -4.45 116.66 114.85 2wsq n ARG 138 Ca 0.00 -0.47 -0.07 0.00 -0.77 0.00 0.00 57.85 56.54 2wsq n ARG 138 Cb 0.00 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 29.93 2wsq n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2wsq h THR 139 N 1.14 0.15 0.41 0.55 2.02 -1.86 0.34 112.91 115.66 2wsq h THR 139 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2wsq h THR 139 Cb 0.25 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2wsq h THR 139 CO 0.00 0.00 -0.38 0.00 0.37 0.00 0.00 175.52 175.51 2wsq h ALA 140 N 0.75 -1.08 -0.91 6.16 0.00 -1.95 0.16 119.26 122.39 2wsq h ALA 140 Ca 0.19 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.09 2wsq h ALA 140 Cb 0.56 0.60 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 2wsq h ALA 140 CO -0.63 -1.09 0.52 0.28 0.00 0.00 0.00 179.25 178.33 2wsq h VAL 141 N -0.79 0.79 -0.07 0.00 2.07 -1.83 0.22 116.25 116.64 2wsq h VAL 141 Ca -0.05 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 2wsq h VAL 141 Cb 0.68 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2wsq h VAL 141 CO -0.03 0.14 -0.02 0.58 0.02 0.00 0.00 177.57 178.26 2wsq h VAL 142 N 0.76 1.29 -0.26 2.57 2.07 -0.38 -1.22 116.25 121.08 2wsq h VAL 142 Ca 0.49 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 2wsq h VAL 142 Cb 0.63 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 2wsq h VAL 142 CO -0.33 0.26 0.06 0.58 0.02 0.00 0.00 177.57 178.16 2wsq h VAL 143 N -0.19 1.22 -0.23 2.57 2.07 -0.26 -2.71 116.25 118.72 2wsq h VAL 143 Ca 0.02 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 2wsq h VAL 143 Cb 0.42 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2wsq h VAL 143 CO 0.01 0.23 -0.13 -0.07 0.02 0.00 0.00 177.57 177.63 2wsq h LEU 144 N 0.25 0.36 -1.13 2.57 3.38 -0.98 -1.24 115.31 118.53 2wsq h LEU 144 Ca 0.08 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2wsq h LEU 144 Cb 0.29 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2wsq h LEU 144 CO 0.00 0.52 0.13 0.74 0.09 0.00 0.00 178.44 179.93 2wsq h THR 145 N 0.36 1.21 -0.16 0.22 2.02 -1.03 -1.50 112.91 114.03 2wsq h THR 145 Ca 0.07 -0.73 -0.09 0.00 0.77 0.00 0.00 66.41 66.43 2wsq h THR 145 Cb 0.44 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 2wsq h THR 145 CO 0.03 0.27 -0.24 1.56 0.37 0.00 0.00 175.52 177.51 2wsq h GLN 146 N 0.73 0.43 -0.42 6.66 4.20 -0.95 -2.32 115.11 123.44 2wsq h GLN 146 Ca 0.16 -0.26 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 2wsq h GLN 146 Cb 0.25 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2wsq h GLN 146 CO -0.00 0.85 -0.04 0.97 -0.67 0.00 0.00 178.83 179.93 2wsq h ILE 147 N 0.06 1.27 -0.54 2.54 6.09 -1.13 -2.63 117.51 123.17 2wsq h ILE 147 Ca 0.01 -1.10 0.05 0.00 -1.37 0.00 0.00 64.86 62.46 2wsq h ILE 147 Cb 0.81 1.13 -0.05 0.00 0.47 0.00 0.00 36.82 39.18 2wsq h ILE 147 CO 0.05 0.37 0.26 0.00 -3.07 0.00 0.00 178.15 175.77 2wsq h ALA 148 N 0.88 0.69 -0.55 0.18 0.00 -1.31 0.65 119.26 119.79 2wsq h ALA 148 Ca 0.11 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2wsq h ALA 148 Cb 0.55 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 2wsq h ALA 148 CO 0.03 -0.10 0.27 0.00 0.00 0.00 0.00 179.25 179.45 2wsq h ALA 149 N 1.30 0.71 -0.25 0.00 0.00 -1.37 -1.56 119.26 118.10 2wsq h ALA 149 Ca 0.24 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2wsq h ALA 149 Cb 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2wsq h ALA 149 CO -0.18 -0.08 0.03 0.82 0.00 0.00 0.00 179.25 179.83 2wsq h ILE 150 N 0.52 1.24 -0.95 0.00 2.04 -1.17 -3.13 117.51 116.04 2wsq h ILE 150 Ca 0.25 -0.80 0.09 0.00 1.00 0.00 0.00 64.86 65.40 2wsq h ILE 150 Cb 0.18 1.28 -0.07 0.00 -0.74 0.00 0.00 36.82 37.47 2wsq h ILE 150 CO -0.19 0.25 0.59 0.00 0.00 0.00 0.00 178.15 178.81 2wsq h ALA 151 N 0.84 1.37 -0.76 1.87 0.00 -0.61 -2.06 119.26 119.91 2wsq h ALA 151 Ca 0.07 0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.20 2wsq h ALA 151 Cb 0.35 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2wsq h ALA 151 CO 0.01 0.28 0.54 -0.22 0.00 0.00 0.00 179.25 179.85 2wsq h LYS 152 N 1.01 0.08 -0.46 0.00 3.64 -1.23 -0.51 116.57 119.10 2wsq h LYS 152 Ca 0.44 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 2wsq h LYS 152 Cb 0.32 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2wsq h LYS 152 CO -0.22 0.05 0.00 1.63 -2.27 0.00 0.00 179.45 178.64 2wsq n LYS 153 N -4.35 2.38 -4.78 1.90 4.01 -0.77 -4.95 118.16 111.58 2wsq n LYS 153 Ca 0.15 -2.10 -0.31 0.00 -0.51 0.00 0.00 58.31 55.54 2wsq n LYS 153 Cb 0.78 -1.49 -0.13 0.00 -0.51 0.00 0.00 35.03 33.68 2wsq n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2wsq s LEU 154 N -1.30 2.59 0.58 -0.35 1.43 -0.20 -4.73 118.68 116.70 2wsq s LEU 154 Ca 0.39 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 2wsq s LEU 154 Cb 0.22 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.95 2wsq s LEU 154 CO 0.30 0.29 0.84 -0.54 0.23 0.00 0.00 176.35 177.47 2wsq s LYS 155 N -1.17 2.59 0.18 1.70 3.01 -1.26 -4.98 119.74 119.81 2wsq s LYS 155 Ca 0.13 -0.47 -0.13 0.00 -1.01 0.00 0.00 55.97 54.49 2wsq s LYS 155 Cb -0.10 -2.38 0.11 0.00 -1.01 0.00 0.00 37.83 34.45 2wsq s LYS 155 CO 0.03 -0.79 1.82 -0.22 0.51 0.00 0.00 175.35 176.71 2wsq h LYS 156 N -0.10 0.65 0.00 1.68 3.64 -1.99 -2.06 116.57 118.39 2wsq h LYS 156 Ca -0.44 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2wsq h LYS 156 Cb 1.29 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2wsq h LYS 156 CO 0.56 0.43 -0.02 0.00 -2.27 0.00 0.00 179.45 178.16 2wsq h ALA 157 N 1.24 1.41 0.00 5.00 0.00 -2.04 -2.73 119.26 122.14 2wsq h ALA 157 Ca 0.22 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2wsq h ALA 157 Cb 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2wsq h ALA 157 CO -0.09 0.03 -0.42 -0.44 0.00 0.00 0.00 179.25 178.33 2wsq h ASP 158 N 0.00 0.00 -0.08 0.00 3.32 -1.76 -3.13 116.42 114.77 2wsq h ASP 158 Ca -0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 2wsq h ASP 158 Cb 0.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 2wsq h ASP 158 CO 0.00 0.42 0.17 -0.50 -1.72 0.00 0.00 179.24 177.61 2wsq h TRP 159 N 0.00 0.00 0.00 4.55 4.06 -1.56 0.20 115.95 123.20 2wsq h TRP 159 Ca -0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 2wsq h TRP 159 Cb 0.79 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.95 2wsq h TRP 159 CO 0.00 0.00 -0.11 0.00 -3.56 0.00 0.00 178.44 174.77 2wsq h ALA 160 N 1.73 1.37 -0.01 1.49 0.00 -1.76 -1.38 119.26 120.69 2wsq h ALA 160 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2wsq h ALA 160 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2wsq h ALA 160 CO -0.00 0.13 -0.18 1.63 0.00 0.00 0.00 179.25 180.83 2wsq n LYS 161 N -3.75 1.35 -4.22 0.00 4.76 0.70 -4.95 118.16 112.05 2wsq n LYS 161 Ca -0.02 -0.91 -0.35 0.00 -2.87 0.00 0.00 58.31 54.16 2wsq n LYS 161 Cb 0.21 -1.48 -0.09 0.00 -1.84 0.00 0.00 35.03 31.83 2wsq n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wsq s VAL 162 N -2.28 4.57 -0.06 -0.18 1.01 -0.52 -0.91 120.40 122.03 2wsq s VAL 162 Ca 0.28 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.15 2wsq s VAL 162 Cb 0.20 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.62 2wsq s VAL 162 CO 0.44 0.57 -0.11 -0.69 0.00 0.00 0.00 175.10 175.31 2wsq s VAL 163 N -0.57 1.06 -0.17 2.92 1.01 0.55 -4.56 120.40 120.65 2wsq s VAL 163 Ca 0.10 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 2wsq s VAL 163 Cb -0.12 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 2wsq s VAL 163 CO 0.02 0.33 0.14 -0.63 0.00 0.00 0.00 175.10 174.97 2wsq s ILE 164 N 0.59 5.44 -0.24 2.22 -1.09 -0.50 -0.79 121.20 126.83 2wsq s ILE 164 Ca -0.12 0.21 -0.03 0.00 -2.23 0.00 0.00 60.65 58.48 2wsq s ILE 164 Cb -0.15 -3.45 0.01 0.00 -1.58 0.00 0.00 42.46 37.29 2wsq s ILE 164 CO 0.03 0.50 -0.04 0.00 -1.23 0.00 0.00 174.94 174.20 2wsq s ALA 165 N -0.09 2.79 -0.58 9.38 0.00 -0.26 0.01 121.76 133.00 2wsq s ALA 165 Ca 0.11 -1.34 -0.26 0.00 0.00 0.00 0.00 51.96 50.47 2wsq s ALA 165 Cb -0.11 -1.75 0.04 0.00 0.00 0.00 0.00 23.12 21.30 2wsq s ALA 165 CO 0.00 -0.67 1.05 -0.47 0.00 0.00 0.00 175.76 175.68 2wsq s TYR 166 N 1.41 2.69 -0.62 0.00 5.04 0.14 -1.13 117.35 124.88 2wsq s TYR 166 Ca 0.03 0.11 0.05 0.00 -2.44 0.00 0.00 57.07 54.81 2wsq s TYR 166 Cb -0.16 -4.28 0.16 0.00 0.35 0.00 0.00 41.96 38.04 2wsq s TYR 166 CO -0.03 -1.50 0.43 -2.00 -1.34 0.00 0.00 175.55 171.11 2wsq s GLU 167 N 4.43 2.03 0.20 4.97 2.12 0.05 -1.04 118.70 131.47 2wsq s GLU 167 Ca 0.35 -2.96 -0.32 0.00 0.36 0.00 0.00 54.97 52.39 2wsq s GLU 167 Cb -0.11 -2.92 -0.13 0.00 0.26 0.00 0.00 34.13 31.23 2wsq s GLU 167 CO 0.21 -1.29 1.64 -0.35 -0.54 0.00 0.00 175.26 174.93 2wsq n PRO 168 N 2.32 2.52 0.06 4.30 -0.04 -1.25 -4.36 135.00 138.54 2wsq n PRO 168 Ca 0.20 0.91 0.07 0.00 -0.04 0.00 0.00 63.50 64.64 2wsq n PRO 168 Cb 0.38 -2.71 0.50 0.00 -0.04 0.00 0.00 33.50 31.63 2wsq n PRO 168 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wsq h VAL 169 N 3.65 1.04 0.00 0.52 2.07 -1.56 -1.84 116.25 120.13 2wsq h VAL 169 Ca -0.44 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2wsq h VAL 169 Cb 1.23 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2wsq h VAL 169 CO 0.91 0.07 0.00 -2.67 0.02 0.00 0.00 177.57 175.89 2wsq n TRP 170 N -4.49 0.00 0.66 1.57 4.27 -1.26 -2.46 117.44 115.73 2wsq n TRP 170 Ca 0.03 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.71 2wsq n TRP 170 Cb 0.13 -0.24 0.01 0.00 -1.36 0.00 0.00 31.31 29.85 2wsq n TRP 170 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2wsq n ALA 171 N -1.24 2.96 -2.60 -1.67 0.00 -0.69 -4.55 120.51 112.72 2wsq n ALA 171 Ca 0.12 -0.54 -0.42 0.00 0.00 0.00 0.00 53.44 52.60 2wsq n ALA 171 Cb 0.18 -0.52 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 2wsq n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wsq s ILE 172 N -1.68 4.64 -0.95 0.00 1.01 -1.03 -1.31 121.20 121.89 2wsq s ILE 172 Ca 0.14 1.11 0.00 0.00 0.00 0.00 0.00 60.65 61.90 2wsq s ILE 172 Cb 0.12 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.31 2wsq s ILE 172 CO 0.33 -0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.40 2wsq n GLY 173 N 4.40 0.85 0.17 6.18 0.00 -1.26 -4.79 105.19 110.74 2wsq n GLY 173 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 2wsq n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wsq n THR 174 N -2.16 0.00 0.00 2.61 -2.24 -1.26 -4.98 114.28 106.26 2wsq n THR 174 Ca -0.09 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2wsq n THR 174 Cb 0.58 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 2wsq n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wsq n GLY 175 N 1.41 2.88 3.49 3.38 0.00 -1.26 -4.96 105.19 110.13 2wsq n GLY 175 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2wsq n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wsq s LYS 176 N -0.07 3.69 0.51 1.61 -0.14 -1.26 -4.96 119.74 119.10 2wsq s LYS 176 Ca 0.00 -1.69 -0.19 0.00 -1.36 0.00 0.00 55.97 52.74 2wsq s LYS 176 Cb 0.00 -5.11 -0.08 0.00 -1.68 0.00 0.00 37.83 30.96 2wsq s LYS 176 CO 0.00 -1.94 1.02 0.54 -0.76 0.00 0.00 175.35 174.21 2wsq s VAL 177 N 3.35 3.99 0.47 3.17 0.11 -1.26 -4.16 120.40 126.07 2wsq s VAL 177 Ca 0.39 1.13 -0.22 0.00 -2.93 0.00 0.00 61.98 60.35 2wsq s VAL 177 Cb -0.02 -3.49 -0.08 0.00 -1.53 0.00 0.00 36.38 31.26 2wsq s VAL 177 CO -0.07 -0.38 1.11 0.00 -3.33 0.00 0.00 175.10 172.43 2wsq s ALA 178 N -2.21 2.91 0.72 1.54 0.00 -1.26 -5.02 121.76 118.44 2wsq s ALA 178 Ca 0.64 0.80 -0.12 0.00 0.00 0.00 0.00 51.96 53.28 2wsq s ALA 178 Cb -0.14 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.67 2wsq s ALA 178 CO 0.24 -0.53 1.08 0.95 0.00 0.00 0.00 175.76 177.51 2wsq s THR 179 N -1.71 3.55 0.27 0.00 -4.23 -1.26 -4.82 115.64 107.46 2wsq s THR 179 Ca 0.65 0.56 0.01 0.00 -1.18 0.00 0.00 61.69 61.73 2wsq s THR 179 Cb -0.24 -3.12 0.27 0.00 1.34 0.00 0.00 72.50 70.75 2wsq s THR 179 CO 0.28 -0.61 1.71 -0.65 -0.54 0.00 0.00 174.62 174.81 2wsq h PRO 180 N -0.70 0.40 0.00 3.99 0.11 -1.95 -1.55 132.00 132.30 2wsq h PRO 180 Ca -0.44 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 2wsq h PRO 180 Cb 1.23 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2wsq h PRO 180 CO 0.54 0.27 -0.66 -0.56 -0.21 0.00 0.00 178.00 177.37 2wsq h GLN 181 N 0.41 0.00 0.12 1.05 -0.00 -1.96 -1.47 115.11 113.27 2wsq h GLN 181 Ca 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.15 2wsq h GLN 181 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.38 2wsq h GLN 181 CO -0.49 0.66 -0.06 1.96 -0.00 0.00 0.00 178.83 180.90 2wsq h GLN 182 N 0.00 -0.16 -0.27 0.06 4.20 -1.66 -1.13 115.11 116.15 2wsq h GLN 182 Ca -0.01 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2wsq h GLN 182 Cb 1.20 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 2wsq h GLN 182 CO 0.09 0.05 0.14 0.00 -0.67 0.00 0.00 178.83 178.44 2wsq h ALA 183 N 0.50 0.35 -0.79 3.87 0.00 -1.37 -2.83 119.26 118.99 2wsq h ALA 183 Ca -0.02 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2wsq h ALA 183 Cb 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2wsq h ALA 183 CO 0.03 -0.12 0.52 0.37 0.00 0.00 0.00 179.25 180.05 2wsq h GLN 184 N 0.32 1.04 -0.29 0.00 5.75 -1.20 -0.32 115.11 120.42 2wsq h GLN 184 Ca 0.09 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2wsq h GLN 184 Cb 0.08 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.38 2wsq h GLN 184 CO -0.01 0.69 0.18 1.49 -2.65 0.00 0.00 178.83 178.53 2wsq h GLU 185 N 1.07 0.38 -0.07 1.69 4.81 -1.11 -1.01 114.58 120.35 2wsq h GLU 185 Ca 0.29 -0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 59.27 2wsq h GLU 185 Cb -0.12 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.18 2wsq h GLU 185 CO -0.06 0.27 -0.87 1.15 -0.73 0.00 0.00 179.01 178.77 2wsq h THR 186 N 0.38 1.32 -0.59 0.32 2.02 -1.25 -2.58 112.91 112.52 2wsq h THR 186 Ca 0.10 -2.16 -0.04 0.00 0.77 0.00 0.00 66.41 65.09 2wsq h THR 186 Cb -0.03 2.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 2wsq h THR 186 CO -0.02 0.67 0.22 0.45 0.37 0.00 0.00 175.52 177.20 2wsq h HIS 187 N 0.40 0.89 -0.18 3.16 3.86 -0.98 -1.52 115.15 120.77 2wsq h HIS 187 Ca -0.07 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.06 2wsq h HIS 187 Cb 1.49 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.69 2wsq h HIS 187 CO 0.08 0.70 0.03 0.00 0.86 0.00 0.00 177.93 179.60 2wsq h ALA 188 N 1.38 0.24 -0.20 2.45 0.00 -1.16 -0.50 119.26 121.47 2wsq h ALA 188 Ca 0.20 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2wsq h ALA 188 Cb 0.20 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 2wsq h ALA 188 CO -0.01 -0.09 -0.22 -0.07 0.00 0.00 0.00 179.25 178.86 2wsq h LEU 189 N 0.10 -0.69 -0.04 0.00 3.38 -1.20 0.15 115.31 117.01 2wsq h LEU 189 Ca 0.06 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.19 2wsq h LEU 189 Cb 0.30 0.32 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 2wsq h LEU 189 CO 0.00 -0.26 -0.24 0.40 0.09 0.00 0.00 178.44 178.43 2wsq h ILE 190 N -0.24 0.43 -0.70 1.22 2.04 -1.11 -0.30 117.51 118.85 2wsq h ILE 190 Ca 0.12 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.93 2wsq h ILE 190 Cb 0.43 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2wsq h ILE 190 CO -0.34 0.00 0.22 -0.09 0.00 0.00 0.00 178.15 177.94 2wsq h ARG 191 N -0.35 1.08 -0.17 2.37 2.43 -0.89 -1.16 114.38 117.69 2wsq h ARG 191 Ca 0.07 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2wsq h ARG 191 Cb 0.46 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2wsq h ARG 191 CO -0.25 0.92 0.11 1.03 -1.51 0.00 0.00 179.97 180.27 2wsq h SER 192 N 1.04 0.20 0.02 -3.80 0.87 -0.41 0.03 113.55 111.50 2wsq h SER 192 Ca 0.23 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.80 2wsq h SER 192 Cb 0.29 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 2wsq h SER 192 CO -0.01 0.15 -0.18 -0.25 -0.53 0.00 0.00 176.83 176.02 2wsq h TRP 193 N 0.22 -0.46 -0.49 2.24 7.01 -0.76 -1.43 115.95 122.28 2wsq h TRP 193 Ca 0.06 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.08 2wsq h TRP 193 Cb -0.01 0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 2wsq h TRP 193 CO -0.06 -0.26 0.31 0.28 -2.79 0.00 0.00 178.44 175.92 2wsq h VAL 194 N -0.30 1.13 -0.82 2.65 2.07 -0.93 0.17 116.25 120.22 2wsq h VAL 194 Ca 0.05 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.35 2wsq h VAL 194 Cb 0.36 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 2wsq h VAL 194 CO -0.15 0.13 0.52 -1.28 0.02 0.00 0.00 177.57 176.80 2wsq h SER 195 N 0.65 0.83 -0.04 0.57 0.87 -0.80 0.49 113.55 116.13 2wsq h SER 195 Ca 0.18 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.66 2wsq h SER 195 Cb -0.05 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 2wsq h SER 195 CO -0.04 0.55 -0.30 -1.28 -0.53 0.00 0.00 176.83 175.24 2wsq h SER 196 N 0.98 0.32 0.81 6.23 0.87 -1.06 -2.80 113.55 118.89 2wsq h SER 196 Ca 0.34 -0.70 -0.24 0.00 -1.23 0.00 0.00 61.79 59.97 2wsq h SER 196 Cb 0.09 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2wsq h SER 196 CO -0.14 0.97 -1.15 0.11 -0.53 0.00 0.00 176.83 176.09 2wsq h LYS 197 N -0.30 0.12 0.00 2.24 1.79 -0.93 -3.43 116.57 116.07 2wsq h LYS 197 Ca -0.03 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 2wsq h LYS 197 Cb 0.98 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 2wsq h LYS 197 CO 0.06 1.07 -0.45 -0.89 -1.08 0.00 0.00 179.45 178.16 2wsq n ILE 198 N -3.42 1.27 0.00 1.86 2.08 0.17 -5.07 119.36 116.25 2wsq n ILE 198 Ca -0.05 0.28 0.00 0.00 0.56 0.00 0.00 62.75 63.54 2wsq n ILE 198 Cb 0.98 -1.91 0.00 0.00 -0.75 0.00 0.00 39.64 37.96 2wsq n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wsq n GLY 199 N 2.50 2.78 0.23 7.39 0.00 -0.82 -4.94 105.19 112.32 2wsq n GLY 199 Ca -0.06 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 45.56 2wsq n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsq h ALA 200 N 0.00 1.48 0.06 4.61 0.00 -1.85 -1.29 119.26 122.27 2wsq h ALA 200 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2wsq h ALA 200 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2wsq h ALA 200 CO 0.00 0.25 -0.03 0.38 0.00 0.00 0.00 179.25 179.85 2wsq h ASP 201 N 0.00 -0.07 -0.09 0.00 3.04 -1.93 -2.15 116.42 115.22 2wsq h ASP 201 Ca -0.00 -0.32 0.01 0.00 -3.24 0.00 0.00 57.03 53.47 2wsq h ASP 201 Cb 0.40 0.02 -0.01 0.00 -1.04 0.00 0.00 39.33 38.70 2wsq h ASP 201 CO 0.03 0.29 0.01 0.58 -2.04 0.00 0.00 179.24 178.11 2wsq h VAL 202 N -0.44 0.96 -0.60 4.15 2.07 -1.88 -2.94 116.25 117.56 2wsq h VAL 202 Ca -0.01 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.56 2wsq h VAL 202 Cb 0.39 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 2wsq h VAL 202 CO 0.01 0.01 0.30 0.00 0.02 0.00 0.00 177.57 177.91 2wsq h ALA 203 N 1.06 0.79 0.00 1.67 0.00 -1.25 -2.19 119.26 119.35 2wsq h ALA 203 Ca 0.04 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2wsq h ALA 203 Cb 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2wsq h ALA 203 CO -0.05 -0.06 -0.20 0.78 0.00 0.00 0.00 179.25 179.71 2wsq h GLY 204 N 0.55 0.00 1.16 0.00 0.00 -1.38 -3.13 103.07 100.27 2wsq h GLY 204 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2wsq h GLY 204 CO -0.21 0.00 -0.81 -2.09 0.00 0.00 0.00 176.54 173.43 2wsq h GLU 205 N 0.00 0.00 -6.55 4.80 4.57 -1.30 -3.40 114.58 112.71 2wsq h GLU 205 Ca -0.00 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 2wsq h GLU 205 Cb 0.61 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.22 2wsq h GLU 205 CO 0.03 0.00 0.69 -1.17 -1.18 0.00 0.00 179.01 177.38 2wsq s LEU 206 N -5.30 4.37 -0.27 1.64 2.96 -0.85 -4.85 118.68 116.38 2wsq s LEU 206 Ca 0.02 2.28 -0.21 0.00 -0.22 0.00 0.00 54.13 56.00 2wsq s LEU 206 Cb 0.09 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.18 2wsq s LEU 206 CO 0.76 -0.61 0.65 -0.13 -1.32 0.00 0.00 176.35 175.70 2wsq s ARG 207 N 0.99 4.05 -0.36 1.98 3.00 -1.26 -4.92 118.95 122.43 2wsq s ARG 207 Ca 0.63 0.50 -0.06 0.00 0.00 0.00 0.00 55.73 56.81 2wsq s ARG 207 Cb -0.36 -3.68 0.06 0.00 0.00 0.00 0.00 34.95 30.98 2wsq s ARG 207 CO 0.31 -0.48 0.13 0.42 0.00 0.00 0.00 175.30 175.68 2wsq s ILE 208 N 2.58 3.70 0.15 1.52 1.01 -1.25 -1.41 121.20 127.49 2wsq s ILE 208 Ca 0.27 -1.34 0.01 0.00 0.00 0.00 0.00 60.65 59.59 2wsq s ILE 208 Cb -0.15 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 2wsq s ILE 208 CO 0.10 -0.30 0.30 -0.76 0.00 0.00 0.00 174.94 174.27 2wsq s LEU 209 N 1.35 4.32 -0.09 2.97 1.43 0.10 -0.91 118.68 127.85 2wsq s LEU 209 Ca 0.00 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 2wsq s LEU 209 Cb -0.21 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.01 2wsq s LEU 209 CO 0.01 0.05 -0.05 -0.47 0.23 0.00 0.00 176.35 176.12 2wsq s TYR 210 N -1.74 3.00 0.02 0.29 5.04 -0.63 0.24 117.35 123.58 2wsq s TYR 210 Ca 0.35 -0.02 0.01 0.00 -2.44 0.00 0.00 57.07 54.97 2wsq s TYR 210 Cb -0.11 -1.78 -0.01 0.00 0.35 0.00 0.00 41.96 40.40 2wsq s TYR 210 CO 0.28 0.27 -0.05 0.20 -1.34 0.00 0.00 175.55 174.92 2wsq s GLY 211 N -0.55 0.29 0.00 8.97 0.00 -0.21 -1.44 107.32 114.38 2wsq s GLY 211 Ca 0.09 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.33 2wsq s GLY 211 CO 0.02 -0.50 0.00 0.61 0.00 0.00 0.00 173.10 173.23 2wsq n GLY 212 N 2.08 2.25 2.45 0.20 0.00 -1.26 -3.87 105.19 107.05 2wsq n GLY 212 Ca -0.19 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.28 2wsq n GLY 212 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wsq n SER 213 N 0.00 -5.73 -4.76 1.61 7.64 -0.43 -4.34 113.62 107.61 2wsq n SER 213 Ca 0.00 0.13 -0.41 0.00 1.01 0.00 0.00 58.87 59.61 2wsq n SER 213 Cb 0.00 -4.82 -0.03 0.00 -1.01 0.00 0.00 64.21 58.35 2wsq n SER 213 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2wsq s VAL 214 N -2.95 2.99 0.14 0.44 1.01 -1.26 -4.63 120.40 116.13 2wsq s VAL 214 Ca 0.00 0.96 -0.01 0.00 0.00 0.00 0.00 61.98 62.94 2wsq s VAL 214 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2wsq s VAL 214 CO 0.00 0.22 0.19 -0.46 0.00 0.00 0.00 175.10 175.04 2wsq n ASN 215 N 1.21 -0.52 -0.05 3.32 0.23 -1.26 -4.47 115.26 113.72 2wsq n ASN 215 Ca 0.01 -1.74 -0.03 0.00 -0.53 0.00 0.00 54.58 52.29 2wsq n ASN 215 Cb 0.43 0.97 0.21 0.00 -2.08 0.00 0.00 39.78 39.31 2wsq n ASN 215 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2wsq h GLY 216 N 0.76 0.70 1.76 4.83 0.00 -1.94 -2.80 103.07 106.38 2wsq h GLY 216 Ca -0.10 -0.47 -0.24 0.00 0.00 0.00 0.00 47.33 46.51 2wsq h GLY 216 CO 0.14 0.43 -1.17 0.50 0.00 0.00 0.00 176.54 176.45 2wsq h LYS 217 N 0.60 0.12 -0.00 4.80 1.57 -1.96 -3.36 116.57 118.34 2wsq h LYS 217 Ca 0.12 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2wsq h LYS 217 Cb 0.45 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2wsq h LYS 217 CO 0.02 1.06 -0.80 0.27 -0.57 0.00 0.00 179.45 179.43 2wsq n ASN 218 N -3.41 0.92 0.20 0.86 0.23 -1.22 -4.57 115.26 108.27 2wsq n ASN 218 Ca -0.05 -0.81 -0.15 0.00 -0.53 0.00 0.00 54.58 53.04 2wsq n ASN 218 Cb 0.98 0.73 -0.08 0.00 -2.08 0.00 0.00 39.78 39.33 2wsq n ASN 218 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wsq h ALA 219 N 3.08 -0.45 -0.62 -2.53 0.00 -1.64 -3.04 119.26 114.05 2wsq h ALA 219 Ca 0.00 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.91 2wsq h ALA 219 Cb 0.52 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 2wsq h ALA 219 CO 0.00 -0.74 -0.37 -0.09 0.00 0.00 0.00 179.25 178.05 2wsq h ARG 220 N -0.47 -0.16 0.00 0.00 2.43 -1.80 -0.42 114.38 113.96 2wsq h ARG 220 Ca -0.05 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2wsq h ARG 220 Cb 0.36 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2wsq h ARG 220 CO 0.08 -0.11 0.00 1.79 -1.51 0.00 0.00 179.97 180.22 2wsq h THR 221 N -0.16 0.00 0.08 0.20 1.35 -1.85 -2.94 112.91 109.59 2wsq h THR 221 Ca 0.23 -0.64 -0.28 0.00 -0.55 0.00 0.00 66.41 65.16 2wsq h THR 221 Cb 0.56 1.62 0.03 0.00 -1.73 0.00 0.00 68.15 68.62 2wsq h THR 221 CO -0.71 0.00 -1.16 -0.07 -0.25 0.00 0.00 175.52 173.33 2wsq h LEU 222 N 0.00 0.88 -0.56 3.87 3.38 -1.01 -3.25 115.31 118.62 2wsq h LEU 222 Ca 0.00 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.17 2wsq h LEU 222 Cb 0.67 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2wsq h LEU 222 CO 0.00 1.58 0.00 0.22 0.09 0.00 0.00 178.44 180.33 2wsq h TYR 223 N 0.30 0.00 0.00 1.13 3.20 -1.05 -2.43 116.97 118.12 2wsq h TYR 223 Ca -0.17 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.70 2wsq h TYR 223 Cb 1.83 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.10 2wsq h TYR 223 CO 0.11 0.00 0.00 1.96 -1.64 0.00 0.00 178.16 178.59 2wsq h GLN 224 N 0.00 0.00 -6.74 1.82 4.20 -1.56 -3.44 115.11 109.39 2wsq h GLN 224 Ca 0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 2wsq h GLN 224 Cb 0.55 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.36 2wsq h GLN 224 CO 0.00 0.00 0.59 -0.65 -0.67 0.00 0.00 178.83 178.10 2wsq s GLN 225 N -3.61 4.46 0.30 1.46 -1.52 -0.92 -4.92 119.66 114.91 2wsq s GLN 225 Ca 0.01 1.98 0.05 0.00 -1.95 0.00 0.00 55.36 55.46 2wsq s GLN 225 Cb 0.09 -3.18 0.72 0.00 -0.22 0.00 0.00 33.01 30.42 2wsq s GLN 225 CO 0.48 -0.10 1.78 0.00 -0.25 0.00 0.00 175.29 177.20 2wsq h ARG 226 N 4.64 0.75 -0.42 2.91 2.47 -1.90 -2.45 114.38 120.38 2wsq h ARG 226 Ca -0.46 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 2wsq h ARG 226 Cb 1.22 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 2wsq h ARG 226 CO 0.72 0.50 0.00 -0.25 0.56 0.00 0.00 179.97 181.50 2wsq n ASP 227 N -4.76 4.61 -4.59 7.04 8.00 -1.26 -4.88 116.55 120.70 2wsq n ASP 227 Ca 0.23 -2.87 -0.38 0.00 0.71 0.00 0.00 54.79 52.48 2wsq n ASP 227 Cb 0.55 -0.58 -0.11 0.00 -0.02 0.00 0.00 41.12 40.96 2wsq n ASP 227 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wsq s VAL 228 N -2.60 5.28 -0.60 2.53 1.01 -0.93 -4.70 120.40 120.40 2wsq s VAL 228 Ca 0.47 0.23 0.16 0.00 0.00 0.00 0.00 61.98 62.83 2wsq s VAL 228 Cb 0.36 -3.57 0.59 0.00 0.00 0.00 0.00 36.38 33.75 2wsq s VAL 228 CO 0.14 0.22 1.50 0.59 0.00 0.00 0.00 175.10 177.54 2wsq n ASN 229 N 5.12 4.23 0.00 3.32 5.03 -0.08 -4.86 115.26 128.01 2wsq n ASN 229 Ca -0.13 -2.65 0.00 0.00 0.87 0.00 0.00 54.58 52.67 2wsq n ASN 229 Cb 0.52 -0.52 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2wsq n ASN 229 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wsq n GLY 230 N 0.32 0.88 3.09 7.41 0.00 -1.26 -1.63 105.19 114.00 2wsq n GLY 230 Ca 0.22 -1.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 2wsq n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wsq s PHE 231 N -1.95 0.65 -0.22 1.61 0.08 -0.29 -1.60 117.98 116.27 2wsq s PHE 231 Ca 0.00 -0.75 -0.02 0.00 0.12 0.00 0.00 56.93 56.28 2wsq s PHE 231 Cb 0.00 -0.41 0.01 0.00 -0.57 0.00 0.00 43.02 42.05 2wsq s PHE 231 CO 0.00 -0.18 -0.08 -1.17 -0.10 0.00 0.00 175.22 173.69 2wsq s LEU 232 N -2.31 2.83 -0.12 -0.37 2.96 -0.52 -0.05 118.68 121.10 2wsq s LEU 232 Ca -0.00 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.32 2wsq s LEU 232 Cb -0.01 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 2wsq s LEU 232 CO -0.04 -0.05 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.07 2wsq s VAL 233 N 1.39 2.57 0.00 1.68 1.01 0.83 -4.09 120.40 123.79 2wsq s VAL 233 Ca 0.04 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.19 2wsq s VAL 233 Cb -0.15 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.19 2wsq s VAL 233 CO -0.06 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2wsq n GLY 234 N 3.61 0.17 0.32 4.51 0.00 -1.26 -0.83 105.19 111.71 2wsq n GLY 234 Ca -0.19 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.01 2wsq n GLY 234 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wsq h GLY 235 N 0.00 0.00 0.45 -0.02 0.00 -1.91 -1.59 103.07 100.00 2wsq h GLY 235 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wsq h GLY 235 CO 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 176.54 176.33 2wsq n ALA 236 N -2.23 2.97 0.36 3.60 0.00 -1.26 -3.47 120.51 120.47 2wsq n ALA 236 Ca -0.02 -0.36 0.12 0.00 0.00 0.00 0.00 53.44 53.18 2wsq n ALA 236 Cb 0.13 -1.20 0.10 0.00 0.00 0.00 0.00 19.45 18.48 2wsq n ALA 236 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wsq h SER 237 N 1.01 0.00 0.92 0.00 4.64 -1.53 -3.05 113.55 115.54 2wsq h SER 237 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2wsq h SER 237 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2wsq h SER 237 CO 0.00 0.06 -0.02 0.18 -0.87 0.00 0.00 176.83 176.18 2wsq n LEU 238 N -2.41 0.03 -4.73 5.97 7.99 -1.23 -4.82 117.00 117.80 2wsq n LEU 238 Ca 0.02 0.45 -0.22 0.00 -0.01 0.00 0.00 56.01 56.24 2wsq n LEU 238 Cb 0.49 -0.46 -0.06 0.00 -0.11 0.00 0.00 43.42 43.28 2wsq n LEU 238 CO 0.38 0.01 -0.24 -0.54 -1.51 0.00 0.00 177.39 175.49 2wsq s LYS 239 N -2.94 2.55 0.65 3.23 1.02 -1.16 -5.00 119.74 118.09 2wsq s LYS 239 Ca 0.16 -1.31 0.35 0.00 0.02 0.00 0.00 55.97 55.19 2wsq s LYS 239 Cb 0.19 -2.32 1.91 0.00 -0.52 0.00 0.00 37.83 37.09 2wsq s LYS 239 CO 0.53 0.32 2.10 -1.35 -0.92 0.00 0.00 175.35 176.03 2wsq h PRO 240 N 1.66 0.00 0.00 -1.68 0.11 -1.90 -2.53 132.00 127.66 2wsq h PRO 240 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2wsq h PRO 240 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2wsq h PRO 240 CO 0.61 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.55 2wsq n GLU 241 N -3.14 0.16 -0.33 1.05 0.28 -1.26 -2.39 120.64 115.01 2wsq n GLU 241 Ca -0.01 0.37 0.23 0.00 -0.16 0.00 0.00 57.16 57.58 2wsq n GLU 241 Cb 0.27 -1.79 0.51 0.00 1.43 0.00 0.00 31.44 31.87 2wsq n GLU 241 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2wsq h PHE 242 N 0.00 0.67 -0.66 -1.84 3.57 -1.42 0.87 116.94 118.13 2wsq h PHE 242 Ca 0.00 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.63 2wsq h PHE 242 Cb 0.37 -0.19 -0.08 0.00 2.79 0.00 0.00 35.95 38.84 2wsq h PHE 242 CO 0.00 0.05 0.25 0.28 -2.23 0.00 0.00 178.31 176.66 2wsq h VAL 243 N 0.39 0.74 -0.88 1.41 2.07 -1.73 -0.69 116.25 117.55 2wsq h VAL 243 Ca 0.61 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.96 2wsq h VAL 243 Cb 1.54 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2wsq h VAL 243 CO -0.31 0.08 0.47 0.44 0.02 0.00 0.00 177.57 178.27 2wsq h ASP 244 N 0.43 1.10 -0.59 0.57 5.19 0.53 -1.41 116.42 122.25 2wsq h ASP 244 Ca 0.34 -0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.60 2wsq h ASP 244 Cb 0.45 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 2wsq h ASP 244 CO -0.34 0.89 0.17 0.40 -3.12 0.00 0.00 179.24 177.24 2wsq h ILE 245 N 1.23 1.24 0.02 0.35 2.04 -0.14 -1.59 117.51 120.67 2wsq h ILE 245 Ca 0.31 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 2wsq h ILE 245 Cb 0.04 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2wsq h ILE 245 CO -0.05 0.32 -0.01 0.40 0.00 0.00 0.00 178.15 178.81 2wsq h ILE 246 N 0.84 1.13 -0.47 -0.67 2.04 -0.85 -2.60 117.51 116.92 2wsq h ILE 246 Ca 0.19 -0.46 0.11 0.00 1.00 0.00 0.00 64.86 65.70 2wsq h ILE 246 Cb 0.31 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2wsq h ILE 246 CO -0.00 0.12 0.33 0.11 0.00 0.00 0.00 178.15 178.70 2wsq h LYS 247 N -0.23 0.13 0.00 2.37 1.57 -1.10 -1.76 116.57 117.54 2wsq h LYS 247 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2wsq h LYS 247 Cb 0.22 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2wsq h LYS 247 CO 0.01 0.08 0.00 0.00 -0.57 0.00 0.00 179.45 178.97 2wsq n ALA 248 N -2.59 1.62 -1.67 3.86 0.00 -0.61 -4.06 120.51 117.07 2wsq n ALA 248 Ca 0.08 -0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 2wsq n ALA 248 Cb 0.45 -1.17 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 2wsq n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wsq n THR 249 N -1.33 3.82 -1.74 0.00 -2.24 -0.66 -4.62 114.28 107.51 2wsq n THR 249 Ca 0.05 -3.47 0.00 0.00 -2.27 0.00 0.00 64.05 58.36 2wsq n THR 249 Cb 0.09 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 66.66 2wsq n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50