#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 4.02 1.01 1.43 1.02 -1.26 -5.03 119.74 120.94 2wsq s LYS 3 Ca 0.00 2.21 -0.12 0.00 0.02 0.00 0.00 55.97 58.07 2wsq s LYS 3 Cb 0.00 -2.81 0.20 0.00 -0.52 0.00 0.00 37.83 34.69 2wsq s LYS 3 CO 0.00 -0.46 1.08 -1.25 -0.92 0.00 0.00 175.35 173.80 2wsq s PRO 4 N -2.17 0.30 0.04 -1.68 0.04 -1.26 -4.91 135.00 125.36 2wsq s PRO 4 Ca 0.56 0.66 -0.37 0.00 0.04 0.00 0.00 61.00 61.88 2wsq s PRO 4 Cb -0.39 -1.71 -0.16 0.00 0.04 0.00 0.00 34.50 32.28 2wsq s PRO 4 CO 0.51 -2.85 1.45 0.94 0.04 0.00 0.00 177.00 177.08 2wsq n GLN 5 N -4.28 1.32 -1.68 4.56 7.27 -1.26 -4.94 117.38 118.37 2wsq n GLN 5 Ca 0.05 0.48 -0.30 0.00 0.07 0.00 0.00 57.00 57.31 2wsq n GLN 5 Cb 0.56 -2.15 0.09 0.00 2.41 0.00 0.00 30.24 31.15 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 1.07 2.00 0.00 3.69 0.04 -1.26 -4.90 135.00 135.64 2wsq s PRO 6 Ca 0.86 0.42 0.02 0.00 0.04 0.00 0.00 61.00 62.34 2wsq s PRO 6 Cb -0.92 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 31.68 2wsq s PRO 6 CO 0.48 -1.63 -0.08 0.42 0.04 0.00 0.00 177.00 176.23 2wsq s ILE 7 N -3.30 0.59 -0.29 0.56 1.01 -0.94 -0.76 121.20 118.06 2wsq s ILE 7 Ca 0.61 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.88 2wsq s ILE 7 Cb -0.13 -0.51 0.08 0.00 0.01 0.00 0.00 42.46 41.91 2wsq s ILE 7 CO 0.53 0.11 0.01 0.00 0.00 0.00 0.00 174.94 175.58 2wsq s ALA 8 N -0.30 2.31 -0.12 9.38 0.00 -0.40 -1.90 121.76 130.74 2wsq s ALA 8 Ca 0.02 -1.91 -0.02 0.00 0.00 0.00 0.00 51.96 50.05 2wsq s ALA 8 Cb -0.04 -1.69 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 2wsq s ALA 8 CO -0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 175.76 174.24 2wsq s ALA 9 N 1.21 2.97 -0.23 0.00 0.00 -0.13 -0.78 121.76 124.80 2wsq s ALA 9 Ca 0.03 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2wsq s ALA 9 Cb -0.19 -1.41 0.04 0.00 0.00 0.00 0.00 23.12 21.56 2wsq s ALA 9 CO -0.10 0.35 -0.14 0.00 0.00 0.00 0.00 175.76 175.87 2wsq s ALA 10 N -0.06 2.50 -0.09 0.00 0.00 -0.19 0.10 121.76 124.02 2wsq s ALA 10 Ca 0.01 -1.50 -0.16 0.00 0.00 0.00 0.00 51.96 50.32 2wsq s ALA 10 Cb -0.13 -1.45 -0.05 0.00 0.00 0.00 0.00 23.12 21.49 2wsq s ALA 10 CO 0.03 -0.80 0.39 -0.80 0.00 0.00 0.00 175.76 174.58 2wsq s ASN 11 N 1.22 6.65 0.08 0.00 -0.87 -0.49 -0.58 114.94 120.94 2wsq s ASN 11 Ca -0.02 0.77 0.09 0.00 -1.57 0.00 0.00 52.86 52.12 2wsq s ASN 11 Cb -0.17 -2.24 -0.04 0.00 -0.02 0.00 0.00 41.25 38.79 2wsq s ASN 11 CO -0.08 0.14 -0.21 0.26 -2.57 0.00 0.00 177.10 174.65 2wsq s TRP 12 N -0.02 2.48 0.00 2.20 0.51 0.39 -4.48 118.94 120.02 2wsq s TRP 12 Ca 0.22 -0.30 0.00 0.00 -2.12 0.00 0.00 56.10 53.90 2wsq s TRP 12 Cb -0.15 -1.38 0.00 0.00 -0.81 0.00 0.00 33.47 31.13 2wsq s TRP 12 CO 0.09 0.29 0.02 0.36 -0.51 0.00 0.00 176.95 177.20 2wsq n LYS 13 N 1.25 0.00 -1.60 4.98 -0.00 -1.26 -3.43 118.16 118.09 2wsq n LYS 13 Ca -0.16 -0.02 -0.56 0.00 -0.00 0.00 0.00 58.31 57.57 2wsq n LYS 13 Cb 0.52 -0.09 -0.07 0.00 -0.00 0.00 0.00 35.03 35.39 2wsq n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wsq n ASN 15 N 2.93 3.33 -2.71 0.00 3.02 -1.26 -4.48 115.26 116.08 2wsq n ASN 15 Ca 0.21 -2.46 -0.08 0.00 -0.03 0.00 0.00 54.58 52.23 2wsq n ASN 15 Cb 0.13 -0.59 0.10 0.00 -0.61 0.00 0.00 39.78 38.80 2wsq n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wsq n GLY 16 N 0.30 0.56 0.00 7.41 0.00 -1.26 -5.10 105.19 107.10 2wsq n GLY 16 Ca 0.14 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2wsq n GLY 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wsq n SER 17 N 0.03 0.00 -3.52 1.61 3.41 -1.26 -4.88 113.62 109.00 2wsq n SER 17 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.42 2wsq n SER 17 Cb 0.75 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.77 2wsq n SER 17 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2wsq n GLN 18 N 0.00 -6.19 0.00 4.33 0.00 -1.26 -4.36 117.38 109.90 2wsq n GLN 18 Ca 0.00 0.78 0.00 0.00 -0.00 0.00 0.00 57.00 57.78 2wsq n GLN 18 Cb 0.00 -5.67 0.00 0.00 0.00 0.00 0.00 30.24 24.57 2wsq n GLN 18 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 2wsq n GLN 19 N -4.23 0.00 0.21 3.69 -0.06 -1.26 -4.76 117.38 110.97 2wsq n GLN 19 Ca -0.27 0.00 0.08 0.00 -2.00 0.00 0.00 57.00 54.81 2wsq n GLN 19 Cb 0.66 0.00 0.38 0.00 -4.06 0.00 0.00 30.24 27.22 2wsq n GLN 19 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 2wsq h SER 20 N 0.00 0.00 0.37 1.69 0.87 -1.90 -0.34 113.55 114.24 2wsq h SER 20 Ca 0.00 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.25 2wsq h SER 20 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 2wsq h SER 20 CO 0.00 0.28 -1.85 0.18 -0.53 0.00 0.00 176.83 174.90 2wsq n LEU 21 N -3.39 0.94 0.10 2.23 4.77 -1.26 -3.39 117.00 117.01 2wsq n LEU 21 Ca 0.00 0.32 -0.04 0.00 -0.03 0.00 0.00 56.01 56.27 2wsq n LEU 21 Cb 0.48 0.08 0.13 0.00 -2.33 0.00 0.00 43.42 41.78 2wsq n LEU 21 CO 0.35 0.46 0.46 -1.28 -1.33 0.00 0.00 177.39 176.05 2wsq h SER 22 N 0.01 0.17 -0.06 -1.43 0.87 -1.84 -1.44 113.55 109.82 2wsq h SER 22 Ca -0.34 -0.10 -0.24 0.00 -1.23 0.00 0.00 61.79 59.87 2wsq h SER 22 Cb 2.05 -0.05 0.02 0.00 -0.44 0.00 0.00 62.40 63.98 2wsq h SER 22 CO 0.07 0.76 -0.92 -0.33 -0.53 0.00 0.00 176.83 175.88 2wsq h GLU 23 N 0.11 0.73 -0.42 2.24 5.08 -1.21 -2.65 114.58 118.46 2wsq h GLU 23 Ca -0.01 -0.70 0.01 0.00 -1.00 0.00 0.00 59.36 57.66 2wsq h GLU 23 Cb 1.14 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 2wsq h GLU 23 CO 0.09 1.29 0.26 1.25 -1.00 0.00 0.00 179.01 180.90 2wsq h LEU 24 N 0.44 0.43 0.17 1.33 6.46 -1.55 -2.28 115.31 120.31 2wsq h LEU 24 Ca -0.10 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 2wsq h LEU 24 Cb 1.56 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 41.39 2wsq h LEU 24 CO 0.18 0.31 -0.10 0.40 -0.62 0.00 0.00 178.44 178.62 2wsq h ILE 25 N 0.53 0.79 -0.80 4.05 2.04 -1.24 -2.17 117.51 120.71 2wsq h ILE 25 Ca 0.16 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.21 2wsq h ILE 25 Cb -0.02 0.79 -0.12 0.00 -0.74 0.00 0.00 36.82 36.74 2wsq h ILE 25 CO -0.06 0.00 0.22 0.44 0.00 0.00 0.00 178.15 178.75 2wsq h ASP 26 N -0.26 0.05 -0.44 1.72 3.32 -1.26 0.45 116.42 120.00 2wsq h ASP 26 Ca -0.02 0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.27 2wsq h ASP 26 Cb 0.21 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 2wsq h ASP 26 CO 0.03 -0.06 0.30 0.25 -1.72 0.00 0.00 179.24 178.03 2wsq h LEU 27 N 0.27 0.23 0.06 1.55 7.12 -0.81 -0.53 115.31 123.20 2wsq h LEU 27 Ca 0.47 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 58.37 2wsq h LEU 27 Cb 0.85 -0.05 0.01 0.00 -0.53 0.00 0.00 40.66 40.95 2wsq h LEU 27 CO -0.55 0.14 -0.49 -0.26 -0.13 0.00 0.00 178.44 177.15 2wsq h PHE 28 N 0.26 0.38 -0.01 1.25 0.04 0.03 -3.11 116.94 115.78 2wsq h PHE 28 Ca 0.20 -0.25 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2wsq h PHE 28 Cb 0.46 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.58 2wsq h PHE 28 CO -0.00 1.14 0.14 -0.91 -0.60 0.00 0.00 178.31 178.08 2wsq h ASN 29 N -0.49 0.00 -0.52 2.17 2.35 -0.22 -0.91 115.58 117.96 2wsq h ASN 29 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2wsq h ASN 29 Cb 1.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.69 2wsq h ASN 29 CO 0.09 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.33 2wsq n SER 30 N -3.06 3.53 -4.59 5.81 3.41 -0.25 -4.86 113.62 113.61 2wsq n SER 30 Ca -0.02 -1.99 -0.36 0.00 -0.26 0.00 0.00 58.87 56.24 2wsq n SER 30 Cb 0.20 -0.34 -0.11 0.00 -0.26 0.00 0.00 64.21 63.70 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 -1.32 4.90 -0.10 6.66 2.01 -0.35 -5.06 115.64 122.38 2wsq s THR 31 Ca 0.42 0.02 -0.18 0.00 0.31 0.00 0.00 61.69 62.26 2wsq s THR 31 Cb 0.23 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 2wsq s THR 31 CO 0.32 0.37 0.49 -0.94 -0.69 0.00 0.00 174.62 174.17 2wsq s SER 32 N 1.08 6.72 -0.23 3.53 1.04 -1.26 -5.00 113.70 119.58 2wsq s SER 32 Ca 0.06 0.86 0.01 0.00 0.48 0.00 0.00 55.95 57.36 2wsq s SER 32 Cb -0.14 -2.30 0.04 0.00 0.10 0.00 0.00 66.02 63.72 2wsq s SER 32 CO 0.04 0.02 -0.13 -0.63 0.98 0.00 0.00 173.24 173.52 2wsq s ILE 33 N 0.49 2.30 0.00 -1.02 1.01 -1.26 -5.02 121.20 117.70 2wsq s ILE 33 Ca 0.27 -1.23 0.00 0.00 0.00 0.00 0.00 60.65 59.68 2wsq s ILE 33 Cb -0.16 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.15 2wsq s ILE 33 CO 0.11 0.24 0.34 -0.46 0.00 0.00 0.00 174.94 175.17 2wsq n ASN 34 N 4.56 0.00 -4.65 3.58 0.23 -1.26 -4.94 115.26 112.78 2wsq n ASN 34 Ca -0.17 0.55 -0.29 0.00 -0.53 0.00 0.00 54.58 54.14 2wsq n ASN 34 Cb 0.46 -0.35 0.18 0.00 -2.08 0.00 0.00 39.78 37.99 2wsq n ASN 34 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 2wsq s HIS 35 N -1.39 2.00 -0.34 -2.53 -3.43 -1.26 -4.95 115.29 103.40 2wsq s HIS 35 Ca 0.00 1.13 -0.29 0.00 -0.80 0.00 0.00 55.06 55.10 2wsq s HIS 35 Cb 0.00 -3.21 0.01 0.00 -1.43 0.00 0.00 32.58 27.95 2wsq s HIS 35 CO 0.00 -2.94 1.20 0.34 -2.00 0.00 0.00 174.74 171.34 2wsq s ASP 36 N -3.24 6.75 -0.16 7.38 2.15 -1.26 -4.97 116.67 123.31 2wsq s ASP 36 Ca 0.65 1.04 -0.22 0.00 0.43 0.00 0.00 52.55 54.45 2wsq s ASP 36 Cb -0.20 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 39.94 2wsq s ASP 36 CO 0.59 -1.04 0.57 0.54 -0.17 0.00 0.00 175.17 175.65 2wsq s VAL 37 N 4.16 0.01 -0.30 1.11 0.11 -1.26 -4.12 120.40 120.11 2wsq s VAL 37 Ca 0.51 -0.06 -0.10 0.00 -2.93 0.00 0.00 61.98 59.41 2wsq s VAL 37 Cb -0.14 -0.82 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2wsq s VAL 37 CO 0.22 -0.03 0.15 -1.58 -3.33 0.00 0.00 175.10 170.53 2wsq s GLN 38 N -0.19 3.49 -0.06 1.54 2.00 0.06 -4.93 119.66 121.56 2wsq s GLN 38 Ca -0.04 -0.62 -0.11 0.00 -2.00 0.00 0.00 55.36 52.60 2wsq s GLN 38 Cb -0.03 -3.56 -0.05 0.00 0.80 0.00 0.00 33.01 30.17 2wsq s GLN 38 CO 0.03 -0.35 0.27 0.00 -0.50 0.00 0.00 175.29 174.75 2wsq s VAL 40 N -1.06 0.88 -0.18 0.00 1.01 0.04 -1.34 120.40 119.74 2wsq s VAL 40 Ca 0.20 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.82 2wsq s VAL 40 Cb -0.14 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.44 2wsq s VAL 40 CO 0.09 0.29 -0.19 0.68 0.00 0.00 0.00 175.10 175.96 2wsq s VAL 41 N 0.52 2.09 -0.74 2.92 -7.23 -0.33 -1.02 120.40 116.62 2wsq s VAL 41 Ca -0.09 -0.95 -0.08 0.00 -1.81 0.00 0.00 61.98 59.04 2wsq s VAL 41 Cb -0.13 -1.89 0.19 0.00 0.56 0.00 0.00 36.38 35.12 2wsq s VAL 41 CO 0.02 0.52 0.62 0.00 -0.31 0.00 0.00 175.10 175.95 2wsq s ALA 42 N 1.29 3.87 0.69 1.32 0.00 0.25 -1.36 121.76 127.82 2wsq s ALA 42 Ca 0.05 -3.33 -0.11 0.00 0.00 0.00 0.00 51.96 48.56 2wsq s ALA 42 Cb -0.13 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 19.91 2wsq s ALA 42 CO -0.13 -2.20 1.08 -1.25 0.00 0.00 0.00 175.76 173.27 2wsq s PRO 43 N -0.04 2.89 0.61 0.00 0.04 -1.26 -0.46 135.00 136.78 2wsq s PRO 43 Ca 0.18 0.43 -0.19 0.00 0.04 0.00 0.00 61.00 61.46 2wsq s PRO 43 Cb -0.15 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 2wsq s PRO 43 CO -0.06 -0.99 1.27 -1.13 0.04 0.00 0.00 177.00 176.12 2wsq n SER 44 N -2.97 2.10 -0.33 6.66 3.41 -1.22 -4.63 113.62 116.64 2wsq n SER 44 Ca 0.07 0.87 0.22 0.00 -0.26 0.00 0.00 58.87 59.77 2wsq n SER 44 Cb 0.57 -1.54 0.44 0.00 -0.26 0.00 0.00 64.21 63.42 2wsq n SER 44 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2wsq h PHE 45 N 0.80 0.80 0.00 7.33 3.57 -1.93 0.34 116.94 127.85 2wsq h PHE 45 Ca -0.51 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.03 2wsq h PHE 45 Cb 1.33 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.88 2wsq h PHE 45 CO 0.42 -0.19 0.00 1.55 -2.23 0.00 0.00 178.31 177.86 2wsq n VAL 46 N -5.09 0.38 0.01 1.41 3.14 -1.26 -2.59 118.33 114.32 2wsq n VAL 46 Ca 0.30 0.09 0.05 0.00 -2.96 0.00 0.00 64.34 61.82 2wsq n VAL 46 Cb 0.93 -0.76 0.10 0.00 -1.06 0.00 0.00 33.84 33.05 2wsq n VAL 46 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2wsq n HIS 47 N -1.28 0.28 -0.32 1.45 8.25 0.12 -4.68 115.22 119.05 2wsq n HIS 47 Ca 0.10 -0.36 -0.03 0.00 -0.26 0.00 0.00 57.72 57.17 2wsq n HIS 47 Cb 0.16 -0.02 0.10 0.00 1.12 0.00 0.00 29.99 31.34 2wsq n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2wsq h LEU 48 N 1.77 0.96 0.07 2.41 4.07 -1.43 -1.09 115.31 122.07 2wsq h LEU 48 Ca 0.00 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 2wsq h LEU 48 Cb 0.61 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.12 2wsq h LEU 48 CO 0.00 0.68 -0.03 0.00 -1.08 0.00 0.00 178.44 178.00 2wsq h ALA 49 N 1.33 -0.09 -0.34 1.53 0.00 -1.83 -2.41 119.26 117.45 2wsq h ALA 49 Ca 0.33 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 2wsq h ALA 49 Cb -0.07 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2wsq h ALA 49 CO -0.09 -0.48 -0.24 1.98 0.00 0.00 0.00 179.25 180.42 2wsq h MET 50 N -0.24 0.67 0.35 0.00 4.05 -1.84 -2.74 114.93 115.18 2wsq h MET 50 Ca -0.01 -0.27 -0.02 0.00 -0.28 0.00 0.00 59.70 59.13 2wsq h MET 50 Cb 0.20 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 2wsq h MET 50 CO 0.02 0.85 -0.17 1.15 0.23 0.00 0.00 176.91 178.98 2wsq h THR 51 N 0.58 0.66 -0.01 -0.77 2.02 -1.24 0.22 112.91 114.37 2wsq h THR 51 Ca 0.08 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2wsq h THR 51 Cb 0.72 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2wsq h THR 51 CO 0.06 0.04 0.02 0.50 0.37 0.00 0.00 175.52 176.50 2wsq h LYS 52 N -0.57 0.00 0.14 6.66 3.64 -1.43 0.30 116.57 125.30 2wsq h LYS 52 Ca -0.05 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.13 2wsq h LYS 52 Cb 0.42 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2wsq h LYS 52 CO 0.08 0.00 -0.93 1.49 -2.27 0.00 0.00 179.45 177.82 2wsq h GLU 53 N 0.00 0.29 0.00 1.90 4.57 -1.12 -3.38 114.58 116.84 2wsq h GLU 53 Ca 0.01 -0.49 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 2wsq h GLU 53 Cb 0.05 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2wsq h GLU 53 CO -0.00 1.24 -0.92 0.54 -1.18 0.00 0.00 179.01 178.69 2wsq n ARG 54 N -4.09 0.23 -3.23 1.92 5.12 0.02 -4.87 116.66 111.77 2wsq n ARG 54 Ca -0.16 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.37 2wsq n ARG 54 Cb 0.84 -1.58 -0.06 0.00 -1.16 0.00 0.00 32.46 30.49 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 -3.75 4.17 0.00 0.55 2.96 0.98 -4.79 118.68 118.79 2wsq s LEU 55 Ca 0.05 0.73 0.00 0.00 -0.22 0.00 0.00 54.13 54.70 2wsq s LEU 55 Cb 0.15 -2.75 0.00 0.00 0.50 0.00 0.00 46.19 44.09 2wsq s LEU 55 CO 0.79 -0.17 0.00 -1.54 -1.32 0.00 0.00 176.35 174.10 2wsq n SER 56 N 4.67 0.18 -4.69 3.68 3.41 -1.26 -4.87 113.62 114.73 2wsq n SER 56 Ca -0.04 -0.06 -0.53 0.00 -0.26 0.00 0.00 58.87 57.98 2wsq n SER 56 Cb 0.50 0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.17 2.16 0.32 7.33 -0.00 -1.26 -4.83 115.22 118.77 2wsq n HIS 57 Ca 0.00 0.30 0.04 0.00 -0.00 0.00 0.00 57.72 58.06 2wsq n HIS 57 Cb 0.00 -2.54 0.18 0.00 -0.00 0.00 0.00 29.99 27.63 2wsq n HIS 57 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2wsq n PRO 58 N 5.74 0.06 -0.17 1.57 -0.04 -1.26 -1.35 135.00 139.56 2wsq n PRO 58 Ca 0.24 0.28 0.09 0.00 -0.04 0.00 0.00 63.50 64.07 2wsq n PRO 58 Cb 0.21 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.34 2wsq n PRO 58 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wsq n LYS 59 N -1.38 2.26 -4.96 0.54 5.02 -1.26 -4.96 118.16 113.41 2wsq n LYS 59 Ca 0.03 -2.05 -0.32 0.00 -2.02 0.00 0.00 58.31 53.95 2wsq n LYS 59 Cb 0.07 -1.39 -0.15 0.00 -0.02 0.00 0.00 35.03 33.54 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 -1.20 2.68 0.09 2.13 0.40 -0.46 -0.48 117.98 121.15 2wsq s PHE 60 Ca 0.30 -0.61 0.06 0.00 -0.60 0.00 0.00 56.93 56.09 2wsq s PHE 60 Cb 0.17 -1.73 -0.03 0.00 0.51 0.00 0.00 43.02 41.94 2wsq s PHE 60 CO 0.24 -0.16 -0.16 0.14 0.70 0.00 0.00 175.22 175.98 2wsq s VAL 61 N 0.02 1.33 -0.11 -0.44 -7.23 -0.45 -4.85 120.40 108.66 2wsq s VAL 61 Ca -0.06 -1.45 -0.10 0.00 -1.81 0.00 0.00 61.98 58.56 2wsq s VAL 61 Cb -0.15 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.45 2wsq s VAL 61 CO 0.05 -0.21 0.23 -0.63 -0.31 0.00 0.00 175.10 174.23 2wsq s ILE 62 N -1.39 5.35 0.09 -0.62 1.01 -1.26 -1.18 121.20 123.20 2wsq s ILE 62 Ca 0.02 0.41 0.09 0.00 0.00 0.00 0.00 60.65 61.18 2wsq s ILE 62 Cb -0.09 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 2wsq s ILE 62 CO 0.03 0.54 -0.23 0.00 0.00 0.00 0.00 174.94 175.28 2wsq s ALA 63 N -0.52 2.47 0.41 9.38 0.00 -0.46 -3.85 121.76 129.18 2wsq s ALA 63 Ca 0.16 -1.34 -0.07 0.00 0.00 0.00 0.00 51.96 50.71 2wsq s ALA 63 Cb -0.13 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.40 2wsq s ALA 63 CO 0.05 0.56 0.73 0.00 0.00 0.00 0.00 175.76 177.09 2wsq s ALA 64 N -0.99 3.44 -0.09 0.00 0.00 -0.50 -4.04 121.76 119.58 2wsq s ALA 64 Ca 0.15 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 2wsq s ALA 64 Cb -0.10 -2.55 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 2wsq s ALA 64 CO 0.06 -0.11 -0.02 -0.65 0.00 0.00 0.00 175.76 175.04 2wsq s GLN 65 N -4.19 3.00 -0.27 0.00 -0.21 -1.26 -0.81 119.66 115.92 2wsq s GLN 65 Ca 0.48 -0.46 -0.13 0.00 0.02 0.00 0.00 55.36 55.27 2wsq s GLN 65 Cb -0.10 -2.75 0.02 0.00 1.00 0.00 0.00 33.01 31.18 2wsq s GLN 65 CO 0.37 0.63 0.30 0.09 -2.12 0.00 0.00 175.29 174.56 2wsq n ASN 66 N 2.35 -2.45 -3.43 5.90 5.03 -0.80 -4.94 115.26 116.92 2wsq n ASN 66 Ca -0.18 -0.21 -0.28 0.00 0.87 0.00 0.00 54.58 54.79 2wsq n ASN 66 Cb 0.53 -0.75 -0.11 0.00 -1.02 0.00 0.00 39.78 38.44 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 -1.27 1.34 0.33 5.41 0.00 -1.26 -5.10 121.76 121.21 2wsq s ALA 67 Ca 0.12 -2.33 0.00 0.00 0.00 0.00 0.00 51.96 49.75 2wsq s ALA 67 Cb -0.01 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.50 2wsq s ALA 67 CO 0.42 -2.01 0.00 0.41 0.00 0.00 0.00 175.76 174.57 2wsq n GLY 68 N 3.14 -0.44 2.13 0.00 0.00 -1.26 -4.41 105.19 104.35 2wsq n GLY 68 Ca 0.25 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 0.00 -8.43 -0.36 1.61 2.85 -1.26 -4.18 115.26 105.49 2wsq n ASN 69 Ca 0.00 1.48 0.01 0.00 -0.11 0.00 0.00 54.58 55.96 2wsq n ASN 69 Cb 0.00 -4.89 0.06 0.00 1.24 0.00 0.00 39.78 36.20 2wsq n ASN 69 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wsq n ALA 70 N 1.93 -0.03 -0.04 5.20 0.00 -1.26 -1.78 120.51 124.53 2wsq n ALA 70 Ca 0.00 0.98 -0.08 0.00 0.00 0.00 0.00 53.44 54.34 2wsq n ALA 70 Cb 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 2wsq n ALA 70 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2wsq h ASP 71 N 0.00 -0.61 0.37 0.00 3.45 -1.99 -0.41 116.42 117.24 2wsq h ASP 71 Ca 0.37 0.12 -0.03 0.00 0.43 0.00 0.00 57.03 57.91 2wsq h ASP 71 Cb 0.61 0.30 -0.00 0.00 -0.56 0.00 0.00 39.33 39.67 2wsq h ASP 71 CO -0.96 -0.23 -0.16 1.23 -1.57 0.00 0.00 179.24 177.55 2wsq h GLY 72 N -0.19 0.00 0.38 2.75 0.00 -1.53 -1.99 103.07 102.48 2wsq h GLY 72 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 2wsq h GLY 72 CO -0.34 0.00 -0.05 1.41 0.00 0.00 0.00 176.54 177.56 2wsq h LEU 80 N 0.00 -0.11 -0.60 3.11 3.38 -0.89 -1.33 115.31 118.86 2wsq h LEU 80 Ca -0.00 -0.46 0.12 0.00 0.09 0.00 0.00 57.88 57.64 2wsq h LEU 80 Cb 0.39 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.07 2wsq h LEU 80 CO 0.02 0.46 -0.03 0.00 0.09 0.00 0.00 178.44 178.99 2wsq h ALA 81 N -0.03 0.56 -0.22 1.53 0.00 -0.79 0.14 119.26 120.45 2wsq h ALA 81 Ca -0.01 0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 2wsq h ALA 81 Cb 0.56 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2wsq h ALA 81 CO 0.02 -0.40 -0.43 0.66 0.00 0.00 0.00 179.25 179.10 2wsq h SER 82 N 0.09 0.58 -0.13 0.00 4.64 -1.22 -0.48 113.55 117.03 2wsq h SER 82 Ca 0.31 -0.27 0.03 0.00 -0.47 0.00 0.00 61.79 61.39 2wsq h SER 82 Cb 0.50 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 2wsq h SER 82 CO -0.54 0.94 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.25 2wsq h LEU 83 N 0.44 -0.14 -0.74 5.97 3.38 0.08 0.13 115.31 124.43 2wsq h LEU 83 Ca 0.03 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 2wsq h LEU 83 Cb 0.94 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2wsq h LEU 83 CO 0.08 -0.06 -0.53 0.50 0.09 0.00 0.00 178.44 178.53 2wsq h LYS 84 N -0.02 0.28 0.00 1.13 1.63 -0.63 -0.85 116.57 118.11 2wsq h LYS 84 Ca 0.06 -0.17 -0.16 0.00 -0.85 0.00 0.00 60.65 59.54 2wsq h LYS 84 Cb 0.11 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 2wsq h LYS 84 CO -0.14 0.74 -0.76 0.22 -3.45 0.00 0.00 179.45 176.06 2wsq h ASP 85 N 0.22 0.00 0.35 4.20 3.58 -0.93 -2.66 116.42 121.18 2wsq h ASP 85 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2wsq h ASP 85 Cb 1.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.05 2wsq h ASP 85 CO 0.08 0.76 0.00 0.33 -2.88 0.00 0.00 179.24 177.53 2wsq n PHE 86 N -3.58 0.00 0.00 0.28 7.35 0.43 -4.91 117.46 117.03 2wsq n PHE 86 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 2wsq n PHE 86 Cb 0.75 -0.22 0.00 0.00 0.35 0.00 0.00 39.48 40.36 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 0.75 3.16 3.71 7.13 0.00 -0.98 -5.05 105.19 113.92 2wsq n GLY 87 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.85 2.85 0.00 1.61 1.01 -0.36 -4.92 120.40 117.74 2wsq s VAL 88 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2wsq s VAL 88 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2wsq s VAL 88 CO 0.00 0.04 0.26 0.59 0.00 0.00 0.00 175.10 175.99 2wsq n ASN 89 N 4.17 0.52 -4.43 3.32 5.03 -1.26 -3.72 115.26 118.89 2wsq n ASN 89 Ca 0.13 -0.83 -0.30 0.00 0.87 0.00 0.00 54.58 54.45 2wsq n ASN 89 Cb 0.40 0.18 -0.13 0.00 -1.02 0.00 0.00 39.78 39.21 2wsq n ASN 89 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2wsq s TRP 90 N -0.18 2.47 0.00 3.10 0.52 -1.25 -1.08 118.94 122.52 2wsq s TRP 90 Ca 0.00 -0.31 -0.00 0.00 0.02 0.00 0.00 56.10 55.81 2wsq s TRP 90 Cb 0.00 -1.38 -0.01 0.00 -1.15 0.00 0.00 33.47 30.93 2wsq s TRP 90 CO 0.00 0.28 -0.00 -1.50 0.02 0.00 0.00 176.95 175.75 2wsq s ILE 91 N -0.98 0.03 -0.17 2.03 2.07 -0.43 -1.41 121.20 122.34 2wsq s ILE 91 Ca 0.15 -0.28 -0.02 0.00 -1.41 0.00 0.00 60.65 59.09 2wsq s ILE 91 Cb -0.10 -0.09 -0.01 0.00 0.13 0.00 0.00 42.46 42.38 2wsq s ILE 91 CO 0.06 -0.15 -0.10 -0.69 -1.91 0.00 0.00 174.94 172.15 2wsq s VAL 92 N -0.45 3.13 -0.40 4.00 1.01 0.01 -1.01 120.40 126.69 2wsq s VAL 92 Ca -0.05 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 2wsq s VAL 92 Cb -0.03 -2.37 0.07 0.00 0.00 0.00 0.00 36.38 34.05 2wsq s VAL 92 CO -0.00 0.48 0.23 -0.76 0.00 0.00 0.00 175.10 175.05 2wsq s LEU 93 N 0.92 5.02 -1.47 3.92 1.43 0.16 -1.90 118.68 126.76 2wsq s LEU 93 Ca -0.02 -1.44 -0.12 0.00 -1.03 0.00 0.00 54.13 51.52 2wsq s LEU 93 Cb -0.15 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.13 2wsq s LEU 93 CO -0.00 -0.50 2.38 0.61 0.23 0.00 0.00 176.35 179.07 2wsq n GLY 94 N 4.90 4.49 0.23 -3.19 0.00 -1.26 -1.25 105.19 109.11 2wsq n GLY 94 Ca -0.10 -1.68 -0.15 0.00 0.00 0.00 0.00 46.02 44.09 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 5.59 1.01 -0.68 1.61 6.17 -1.88 -2.79 115.15 124.17 2wsq h HIS 95 Ca 0.64 -0.40 0.07 0.00 0.71 0.00 0.00 60.37 61.39 2wsq h HIS 95 Cb 0.52 -0.18 -0.06 0.00 2.52 0.00 0.00 27.41 30.21 2wsq h HIS 95 CO 1.55 1.21 0.37 0.66 0.71 0.00 0.00 177.93 182.43 2wsq h SER 96 N 0.57 0.53 -0.07 3.26 4.64 -1.59 0.19 113.55 121.08 2wsq h SER 96 Ca -0.01 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 2wsq h SER 96 Cb 1.25 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2wsq h SER 96 CO 0.13 0.33 -0.12 -0.33 -0.87 0.00 0.00 176.83 175.97 2wsq h GLU 97 N 0.66 0.20 -0.11 4.77 5.08 -1.87 -2.75 114.58 120.56 2wsq h GLU 97 Ca 0.32 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2wsq h GLU 97 Cb 0.25 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2wsq h GLU 97 CO -0.21 0.71 -0.14 0.00 -1.00 0.00 0.00 179.01 178.36 2wsq h ARG 98 N -0.29 0.18 -0.09 2.33 3.08 -1.19 0.25 114.38 118.66 2wsq h ARG 98 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2wsq h ARG 98 Cb 0.70 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 2wsq h ARG 98 CO 0.03 0.33 0.06 -0.09 -1.07 0.00 0.00 179.97 179.22 2wsq h ARG 99 N 0.17 0.11 -0.05 0.04 2.43 -0.68 -0.41 114.38 115.99 2wsq h ARG 99 Ca 0.03 -0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 58.94 2wsq h ARG 99 Cb 0.36 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2wsq h ARG 99 CO 0.02 0.09 -0.96 0.00 -1.51 0.00 0.00 179.97 177.60 2wsq h ALA 100 N 1.02 0.18 0.14 2.80 0.00 -1.12 -2.35 119.26 119.93 2wsq h ALA 100 Ca 0.03 -0.67 -0.20 0.00 0.00 0.00 0.00 54.91 54.07 2wsq h ALA 100 Cb -0.00 0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.84 2wsq h ALA 100 CO -0.01 0.68 -0.93 1.88 0.00 0.00 0.00 179.25 180.87 2wsq h TYR 101 N 0.44 0.54 -0.00 0.00 0.99 -0.59 -3.42 116.97 114.93 2wsq h TYR 101 Ca -0.11 -0.39 0.00 0.00 2.00 0.00 0.00 58.73 60.23 2wsq h TYR 101 Cb 1.61 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 39.32 2wsq h TYR 101 CO 0.10 1.36 -0.08 0.66 -0.00 0.00 0.00 178.16 180.20 2wsq n TYR 102 N -4.08 0.00 -1.00 4.88 0.53 -0.29 -5.01 117.16 112.19 2wsq n TYR 102 Ca -0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.72 2wsq n TYR 102 Cb 0.84 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 39.15 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 0.73 0.39 3.65 2.72 0.00 -0.44 -4.97 105.19 107.26 2wsq n GLY 103 Ca 0.01 -1.08 -0.48 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.96 1.81 -1.80 1.61 2.13 -0.88 -4.91 120.64 115.64 2wsq n GLU 104 Ca 0.00 0.66 -0.31 0.00 0.66 0.00 0.00 57.16 58.17 2wsq n GLU 104 Cb 0.01 -2.39 0.03 0.00 0.27 0.00 0.00 31.44 29.36 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 0.98 4.25 0.24 6.31 -4.23 -1.26 -4.25 115.64 117.68 2wsq s THR 105 Ca 0.82 0.73 0.07 0.00 -1.18 0.00 0.00 61.69 62.13 2wsq s THR 105 Cb -0.77 -3.67 -0.05 0.00 1.34 0.00 0.00 72.50 69.35 2wsq s THR 105 CO 0.42 -0.96 1.56 0.78 -0.54 0.00 0.00 174.62 175.88 2wsq h ASN 106 N -0.50 0.14 -0.30 3.99 2.35 -1.96 -2.93 115.58 116.37 2wsq h ASN 106 Ca -0.44 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.15 2wsq h ASN 106 Cb 1.21 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.52 2wsq h ASN 106 CO 0.61 0.75 -0.06 -0.33 -1.65 0.00 0.00 177.43 176.76 2wsq h GLU 107 N 0.09 0.68 -0.10 0.81 3.07 -1.93 -1.82 114.58 115.39 2wsq h GLU 107 Ca -0.01 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.36 58.65 2wsq h GLU 107 Cb 1.16 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.99 2wsq h GLU 107 CO 0.09 0.74 0.01 0.82 -1.40 0.00 0.00 179.01 179.27 2wsq h ILE 108 N 0.63 1.23 -0.71 3.13 1.08 -1.91 -1.37 117.51 119.59 2wsq h ILE 108 Ca 0.12 -0.72 -0.01 0.00 -0.39 0.00 0.00 64.86 63.86 2wsq h ILE 108 Cb 0.48 1.53 -0.03 0.00 -3.07 0.00 0.00 36.82 35.72 2wsq h ILE 108 CO 0.02 0.21 0.40 1.62 -0.69 0.00 0.00 178.15 179.71 2wsq h VAL 109 N -0.09 1.21 -0.34 1.67 3.04 -1.48 -1.70 116.25 118.56 2wsq h VAL 109 Ca 0.03 -0.51 0.04 0.00 -1.01 0.00 0.00 66.70 65.25 2wsq h VAL 109 Cb 0.31 0.24 -0.04 0.00 -2.01 0.00 0.00 31.29 29.79 2wsq h VAL 109 CO 0.00 0.23 0.12 0.00 -1.01 0.00 0.00 177.57 176.91 2wsq h ALA 110 N 1.45 0.40 -0.69 3.17 0.00 -1.03 0.03 119.26 122.59 2wsq h ALA 110 Ca 0.25 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.28 2wsq h ALA 110 Cb 0.01 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2wsq h ALA 110 CO -0.04 -0.28 0.36 -0.44 0.00 0.00 0.00 179.25 178.85 2wsq h ASP 111 N 0.26 0.51 -0.43 0.00 3.32 -0.81 -1.78 116.42 117.49 2wsq h ASP 111 Ca 0.16 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 2wsq h ASP 111 Cb 0.13 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2wsq h ASP 111 CO -0.16 0.31 -0.06 0.11 -1.72 0.00 0.00 179.24 177.72 2wsq h LYS 112 N 0.65 0.80 0.25 3.56 1.57 -0.82 0.29 116.57 122.86 2wsq h LYS 112 Ca 0.32 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2wsq h LYS 112 Cb 0.27 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 2wsq h LYS 112 CO -0.22 0.90 -0.34 0.28 -0.57 0.00 0.00 179.45 179.50 2wsq h VAL 113 N 0.63 0.29 -0.74 0.50 2.07 -0.80 0.51 116.25 118.71 2wsq h VAL 113 Ca 0.11 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.73 2wsq h VAL 113 Cb 0.58 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 2wsq h VAL 113 CO 0.03 0.00 0.38 0.00 0.02 0.00 0.00 177.57 178.01 2wsq h ALA 114 N -0.12 1.04 -0.11 1.67 0.00 -1.27 -0.09 119.26 120.37 2wsq h ALA 114 Ca -0.00 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2wsq h ALA 114 Cb 0.63 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2wsq h ALA 114 CO -0.12 -0.02 -0.48 0.00 0.00 0.00 0.00 179.25 178.64 2wsq h ALA 115 N 1.44 0.98 -0.04 0.00 0.00 -0.63 -1.01 119.26 120.00 2wsq h ALA 115 Ca 0.37 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2wsq h ALA 115 Cb 0.38 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.09 2wsq h ALA 115 CO -0.27 0.64 -0.50 0.00 0.00 0.00 0.00 179.25 179.13 2wsq h ALA 116 N 1.27 0.12 -0.28 0.00 0.00 -0.44 -2.73 119.26 117.20 2wsq h ALA 116 Ca 0.01 -0.52 0.04 0.00 0.00 0.00 0.00 54.91 54.44 2wsq h ALA 116 Cb 0.93 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2wsq h ALA 116 CO 0.08 0.31 0.06 0.28 0.00 0.00 0.00 179.25 179.98 2wsq h VAL 117 N -0.08 0.88 -0.86 0.00 2.07 -0.95 -1.04 116.25 116.26 2wsq h VAL 117 Ca -0.05 -0.06 0.17 0.00 0.82 0.00 0.00 66.70 67.58 2wsq h VAL 117 Cb 1.18 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 2wsq h VAL 117 CO 0.10 0.03 0.57 0.00 0.02 0.00 0.00 177.57 178.29 2wsq h ALA 118 N 1.20 2.06 -0.00 1.67 0.00 -1.18 -0.13 119.26 122.88 2wsq h ALA 118 Ca 0.13 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wsq h ALA 118 Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2wsq h ALA 118 CO -0.16 -0.32 -0.00 0.43 0.00 0.00 0.00 179.25 179.20 2wsq n SER 119 N -4.53 0.01 0.00 0.00 7.64 -0.52 -4.89 113.62 111.33 2wsq n SER 119 Ca 0.18 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.53 2wsq n SER 119 Cb 0.59 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 2wsq n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wsq n GLY 120 N 1.16 1.05 3.91 0.23 0.00 -0.06 -5.03 105.19 106.44 2wsq n GLY 120 Ca 0.19 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 3.49 -0.07 1.61 0.40 -0.51 -4.94 117.98 115.96 2wsq s PHE 121 Ca 0.00 0.41 -0.19 0.00 -0.60 0.00 0.00 56.93 56.55 2wsq s PHE 121 Cb 0.00 -1.89 -0.05 0.00 0.51 0.00 0.00 43.02 41.59 2wsq s PHE 121 CO 0.00 0.44 0.52 -1.64 0.70 0.00 0.00 175.22 175.24 2wsq s MET 122 N -2.90 4.29 -0.09 0.44 -1.94 -0.24 -4.21 119.30 114.65 2wsq s MET 122 Ca 0.39 0.55 0.03 0.00 -1.71 0.00 0.00 55.69 54.95 2wsq s MET 122 Cb -0.12 -3.38 0.00 0.00 2.01 0.00 0.00 34.83 33.34 2wsq s MET 122 CO 0.27 0.27 -0.20 0.08 -0.01 0.00 0.00 175.02 175.44 2wsq s VAL 123 N 0.20 1.72 -0.46 -6.03 1.01 -0.32 -1.31 120.40 115.22 2wsq s VAL 123 Ca 0.28 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 2wsq s VAL 123 Cb -0.16 -1.51 0.07 0.00 0.00 0.00 0.00 36.38 34.78 2wsq s VAL 123 CO 0.13 0.48 0.37 -0.63 0.00 0.00 0.00 175.10 175.46 2wsq s ILE 124 N 0.47 5.17 -0.29 2.22 1.01 -0.18 -0.41 121.20 129.19 2wsq s ILE 124 Ca -0.17 -1.03 -0.17 0.00 0.00 0.00 0.00 60.65 59.28 2wsq s ILE 124 Cb -0.17 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 2wsq s ILE 124 CO 0.07 -0.54 0.47 0.00 0.00 0.00 0.00 174.94 174.94 2wsq s ALA 125 N 1.63 3.55 -0.34 9.38 0.00 0.02 -0.66 121.76 135.34 2wsq s ALA 125 Ca 0.04 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 51.05 2wsq s ALA 125 Cb -0.24 -2.86 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 2wsq s ALA 125 CO 0.07 -0.85 0.36 0.00 0.00 0.00 0.00 175.76 175.34 2wsq s ILE 127 N 2.02 2.95 0.00 0.00 -4.36 0.08 -1.60 121.20 120.29 2wsq s ILE 127 Ca 0.12 -1.92 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 2wsq s ILE 127 Cb -0.17 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.05 2wsq s ILE 127 CO 0.12 -0.22 0.00 0.61 0.24 0.00 0.00 174.94 175.69 2wsq n GLY 128 N -0.22 1.65 3.88 6.27 0.00 -1.26 -0.47 105.19 115.04 2wsq n GLY 128 Ca -0.09 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 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 2.64 0.48 1.61 1.03 -1.26 -4.79 118.70 116.41 2wsq s GLU 129 Ca 0.00 -1.41 -0.02 0.00 0.03 0.00 0.00 54.97 53.57 2wsq s GLU 129 Cb 0.00 -2.46 -0.01 0.00 -0.80 0.00 0.00 34.13 30.87 2wsq s GLU 129 CO 0.00 -0.09 0.73 0.95 -1.33 0.00 0.00 175.26 175.53 2wsq s THR 130 N -2.39 4.18 0.25 1.83 -4.23 -1.26 -1.26 115.64 112.75 2wsq s THR 130 Ca 0.46 -0.26 -0.04 0.00 -1.18 0.00 0.00 61.69 60.67 2wsq s THR 130 Cb -0.05 -3.57 0.23 0.00 1.34 0.00 0.00 72.50 70.45 2wsq s THR 130 CO 0.28 -0.47 1.69 0.25 -0.54 0.00 0.00 174.62 175.83 2wsq h LEU 131 N 0.27 0.07 -0.50 4.79 7.12 -1.95 0.21 115.31 125.31 2wsq h LEU 131 Ca -0.46 0.14 -0.02 0.00 0.13 0.00 0.00 57.88 57.67 2wsq h LEU 131 Cb 1.24 0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 41.53 2wsq h LEU 131 CO 0.59 -0.02 0.23 1.56 -0.13 0.00 0.00 178.44 180.68 2wsq h GLN 132 N 0.30 0.73 -0.58 1.25 1.08 -1.97 0.12 115.11 116.05 2wsq h GLN 132 Ca 0.43 -0.12 -0.11 0.00 -1.45 0.00 0.00 58.65 57.40 2wsq h GLN 132 Cb 0.72 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.00 2wsq h GLN 132 CO -0.50 0.62 -0.06 0.93 -0.95 0.00 0.00 178.83 178.88 2wsq h GLU 133 N 0.67 1.05 -0.50 1.46 5.08 -1.74 0.22 114.58 120.82 2wsq h GLU 133 Ca 0.17 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 2wsq h GLU 133 Cb 0.14 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2wsq h GLU 133 CO -0.02 1.06 0.17 -0.09 -1.00 0.00 0.00 179.01 179.13 2wsq h ARG 134 N 0.95 0.76 0.00 2.33 9.65 -0.15 -0.28 114.38 127.64 2wsq h ARG 134 Ca 0.16 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2wsq h ARG 134 Cb 0.62 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 2wsq h ARG 134 CO 0.04 0.70 0.00 0.39 2.80 0.00 0.00 179.97 183.90 2wsq n GLU 135 N -4.52 0.19 0.00 0.20 1.02 0.39 -2.68 120.64 115.24 2wsq n GLU 135 Ca 0.02 0.22 0.13 0.00 -0.02 0.00 0.00 57.16 57.51 2wsq n GLU 135 Cb 0.18 -1.75 0.42 0.00 -0.02 0.00 0.00 31.44 30.27 2wsq n GLU 135 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2wsq n SER 136 N -2.10 1.82 -1.48 1.62 2.88 0.77 -4.97 113.62 112.17 2wsq n SER 136 Ca 0.05 -1.59 -0.15 0.00 -1.33 0.00 0.00 58.87 55.85 2wsq n SER 136 Cb 0.37 0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.80 2wsq n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wsq n GLY 137 N 1.22 0.48 0.62 0.46 0.00 -0.83 -4.94 105.19 102.20 2wsq n GLY 137 Ca 0.18 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.97 2wsq n GLY 137 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wsq n ARG 138 N -2.49 1.60 0.27 1.61 1.85 -0.18 -4.74 116.66 114.59 2wsq n ARG 138 Ca -0.17 -3.24 -0.17 0.00 -1.00 0.00 0.00 57.85 53.26 2wsq n ARG 138 Cb 0.58 -1.63 -0.09 0.00 -1.05 0.00 0.00 32.46 30.26 2wsq n ARG 138 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 2wsq h THR 139 N 0.93 0.09 -0.56 8.89 2.02 -1.87 -0.68 112.91 121.72 2wsq h THR 139 Ca 0.02 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.30 2wsq h THR 139 Cb 1.07 0.09 -0.08 0.00 -1.74 0.00 0.00 68.15 67.49 2wsq h THR 139 CO 0.04 0.00 0.14 0.00 0.37 0.00 0.00 175.52 176.07 2wsq h ALA 140 N -0.68 0.67 -0.41 6.16 0.00 -1.95 -0.34 119.26 122.70 2wsq h ALA 140 Ca -0.05 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2wsq h ALA 140 Cb 0.82 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2wsq h ALA 140 CO -0.07 -0.28 -0.03 0.28 0.00 0.00 0.00 179.25 179.15 2wsq h VAL 141 N 0.29 1.27 0.30 0.00 2.07 -1.88 -1.64 116.25 116.66 2wsq h VAL 141 Ca 0.29 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 2wsq h VAL 141 Cb 0.39 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2wsq h VAL 141 CO -0.35 0.37 -0.15 0.58 0.02 0.00 0.00 177.57 178.04 2wsq h VAL 142 N 0.58 0.73 -0.10 2.57 2.07 -0.70 -0.88 116.25 120.51 2wsq h VAL 142 Ca 0.11 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.41 2wsq h VAL 142 Cb 0.53 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 2wsq h VAL 142 CO 0.03 0.05 -0.14 0.58 0.02 0.00 0.00 177.57 178.11 2wsq h VAL 143 N -0.54 0.63 -0.38 2.57 2.07 -1.07 -1.44 116.25 118.08 2wsq h VAL 143 Ca -0.04 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 2wsq h VAL 143 Cb 0.40 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2wsq h VAL 143 CO 0.07 0.00 0.02 -0.07 0.02 0.00 0.00 177.57 177.61 2wsq h LEU 144 N -0.18 0.55 -0.90 2.57 3.38 -1.31 -1.87 115.31 117.55 2wsq h LEU 144 Ca 0.08 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2wsq h LEU 144 Cb 0.30 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2wsq h LEU 144 CO -0.21 0.61 0.55 0.74 0.09 0.00 0.00 178.44 180.22 2wsq h THR 145 N 0.57 1.25 -0.29 0.22 2.02 -0.64 -1.32 112.91 114.71 2wsq h THR 145 Ca 0.12 -0.52 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 2wsq h THR 145 Cb 0.33 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 2wsq h THR 145 CO 0.01 0.25 0.03 1.56 0.37 0.00 0.00 175.52 177.74 2wsq h GLN 146 N 1.24 0.48 -0.42 6.66 4.20 -0.47 -2.68 115.11 124.12 2wsq h GLN 146 Ca 0.32 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 2wsq h GLN 146 Cb -0.07 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2wsq h GLN 146 CO -0.06 0.61 0.09 0.97 -0.67 0.00 0.00 178.83 179.76 2wsq h ILE 147 N 0.29 1.19 -0.59 2.54 2.10 -1.35 -2.66 117.51 119.03 2wsq h ILE 147 Ca 0.09 -0.70 -0.06 0.00 1.08 0.00 0.00 64.86 65.27 2wsq h ILE 147 Cb 0.37 0.78 -0.02 0.00 -1.09 0.00 0.00 36.82 36.86 2wsq h ILE 147 CO 0.01 0.25 0.14 0.00 -1.08 0.00 0.00 178.15 177.47 2wsq h ALA 148 N 1.49 0.77 -0.09 0.18 0.00 -1.11 -0.61 119.26 119.90 2wsq h ALA 148 Ca 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2wsq h ALA 148 Cb 0.25 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2wsq h ALA 148 CO -0.00 0.49 0.02 0.00 0.00 0.00 0.00 179.25 179.76 2wsq h ALA 149 N 1.03 0.12 -0.42 0.00 0.00 -1.42 -1.53 119.26 117.04 2wsq h ALA 149 Ca 0.18 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2wsq h ALA 149 Cb 0.36 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 2wsq h ALA 149 CO 0.00 -0.25 -0.10 0.82 0.00 0.00 0.00 179.25 179.73 2wsq h ILE 150 N -0.06 0.58 -0.90 0.00 2.04 -1.30 -1.96 117.51 115.91 2wsq h ILE 150 Ca 0.03 -0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.01 2wsq h ILE 150 Cb 0.25 0.57 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 2wsq h ILE 150 CO 0.00 0.00 0.53 0.00 0.00 0.00 0.00 178.15 178.68 2wsq h ALA 151 N 1.42 1.35 0.00 1.87 0.00 -0.82 -1.91 119.26 121.16 2wsq h ALA 151 Ca 0.20 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2wsq h ALA 151 Cb 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2wsq h ALA 151 CO -0.43 0.10 0.13 0.87 0.00 0.00 0.00 179.25 179.92 2wsq h LYS 152 N 0.83 0.00 -0.23 0.00 1.57 -0.47 -0.97 116.57 117.29 2wsq h LYS 152 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 2wsq h LYS 152 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2wsq h LYS 152 CO -0.28 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.23 2wsq n LYS 153 N -2.84 2.79 -5.25 3.15 5.02 -0.72 -5.00 118.16 115.31 2wsq n LYS 153 Ca -0.02 -2.17 -0.31 0.00 -2.02 0.00 0.00 58.31 53.79 2wsq n LYS 153 Cb 0.19 -1.37 -0.16 0.00 -0.02 0.00 0.00 35.03 33.67 2wsq n LYS 153 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wsq s LEU 154 N -1.56 2.05 0.48 -0.35 1.43 -0.37 -4.68 118.68 115.68 2wsq s LEU 154 Ca 0.24 -0.48 -0.14 0.00 -1.03 0.00 0.00 54.13 52.72 2wsq s LEU 154 Cb 0.16 -1.32 -0.07 0.00 0.03 0.00 0.00 46.19 44.99 2wsq s LEU 154 CO 0.10 0.27 0.91 -0.54 0.23 0.00 0.00 176.35 177.32 2wsq s LYS 155 N -0.35 3.86 0.27 1.70 -0.14 -1.26 -4.96 119.74 118.86 2wsq s LYS 155 Ca 0.02 0.76 0.01 0.00 -1.36 0.00 0.00 55.97 55.40 2wsq s LYS 155 Cb -0.12 -2.23 0.62 0.00 -1.68 0.00 0.00 37.83 34.42 2wsq s LYS 155 CO 0.01 -0.21 1.72 -0.22 -0.76 0.00 0.00 175.35 175.90 2wsq h LYS 156 N 0.94 0.46 0.00 1.68 3.64 -1.96 0.13 116.57 121.46 2wsq h LYS 156 Ca -0.47 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 2wsq h LYS 156 Cb 1.19 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2wsq h LYS 156 CO 0.62 0.31 -0.03 0.00 -2.27 0.00 0.00 179.45 178.08 2wsq h ALA 157 N 1.63 1.79 0.00 5.00 0.00 -2.01 -2.91 119.26 122.76 2wsq h ALA 157 Ca 0.50 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.35 2wsq h ALA 157 Cb 0.85 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2wsq h ALA 157 CO -0.45 0.04 -0.17 -0.44 0.00 0.00 0.00 179.25 178.22 2wsq h ASP 158 N 0.00 0.00 -0.11 0.00 3.32 -1.10 -3.17 116.42 115.37 2wsq h ASP 158 Ca -0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 2wsq h ASP 158 Cb 0.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2wsq h ASP 158 CO 0.00 0.17 0.22 -0.50 -1.72 0.00 0.00 179.24 177.42 2wsq h TRP 159 N 0.00 0.00 0.00 4.55 4.06 -1.57 -0.46 115.95 122.53 2wsq h TRP 159 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2wsq h TRP 159 Cb 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.83 2wsq h TRP 159 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 2wsq h ALA 160 N 1.66 1.00 -0.27 1.49 0.00 -1.78 -2.04 119.26 119.32 2wsq h ALA 160 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2wsq h ALA 160 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2wsq h ALA 160 CO -0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 2wsq n LYS 161 N -2.65 2.40 -4.68 0.00 4.76 -0.18 -4.99 118.16 112.82 2wsq n LYS 161 Ca -0.00 -1.86 -0.32 0.00 -2.87 0.00 0.00 58.31 53.26 2wsq n LYS 161 Cb 0.16 -1.25 -0.12 0.00 -1.84 0.00 0.00 35.03 31.97 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 -0.98 3.17 -0.05 -0.18 1.01 -0.77 -1.17 120.40 121.43 2wsq s VAL 162 Ca 0.21 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.32 2wsq s VAL 162 Cb 0.11 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 34.19 2wsq s VAL 162 CO 0.15 0.45 -0.09 -0.69 0.00 0.00 0.00 175.10 174.93 2wsq s VAL 163 N -0.88 0.84 -0.15 2.92 1.01 0.46 -4.67 120.40 119.93 2wsq s VAL 163 Ca 0.14 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 2wsq s VAL 163 Cb -0.11 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2wsq s VAL 163 CO 0.04 0.29 0.11 -0.63 0.00 0.00 0.00 175.10 174.91 2wsq s ILE 164 N 0.72 5.28 -0.19 2.22 -1.09 -0.57 -0.80 121.20 126.76 2wsq s ILE 164 Ca -0.12 0.13 -0.00 0.00 -2.23 0.00 0.00 60.65 58.42 2wsq s ILE 164 Cb -0.15 -3.34 0.01 0.00 -1.58 0.00 0.00 42.46 37.41 2wsq s ILE 164 CO 0.02 0.54 -0.16 0.00 -1.23 0.00 0.00 174.94 174.11 2wsq s ALA 165 N -0.35 2.47 -0.37 9.38 0.00 -0.38 0.33 121.76 132.84 2wsq s ALA 165 Ca 0.11 -1.21 -0.28 0.00 0.00 0.00 0.00 51.96 50.58 2wsq s ALA 165 Cb -0.12 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.69 2wsq s ALA 165 CO 0.01 -0.38 1.02 -0.47 0.00 0.00 0.00 175.76 175.94 2wsq s TYR 166 N 1.34 3.06 -0.45 0.00 5.04 0.21 -0.74 117.35 125.80 2wsq s TYR 166 Ca 0.05 0.91 0.05 0.00 -2.44 0.00 0.00 57.07 55.64 2wsq s TYR 166 Cb -0.13 -3.81 0.19 0.00 0.35 0.00 0.00 41.96 38.56 2wsq s TYR 166 CO -0.10 -0.89 0.40 -1.91 -1.34 0.00 0.00 175.55 171.72 2wsq n GLU 167 N 7.00 0.56 -1.69 4.97 2.13 0.38 0.41 120.64 134.40 2wsq n GLU 167 Ca 0.10 -3.40 -0.44 0.00 0.66 0.00 0.00 57.16 54.08 2wsq n GLU 167 Cb 0.48 -1.69 -0.03 0.00 0.27 0.00 0.00 31.44 30.46 2wsq n GLU 167 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2wsq n PRO 168 N 2.42 2.39 -0.28 5.31 -0.04 -1.25 -4.34 135.00 139.20 2wsq n PRO 168 Ca 0.27 0.86 0.11 0.00 -0.04 0.00 0.00 63.50 64.70 2wsq n PRO 168 Cb 0.47 -2.64 0.35 0.00 -0.04 0.00 0.00 33.50 31.64 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 3.57 0.86 0.00 0.52 2.07 -1.50 -1.85 116.25 119.92 2wsq h VAL 169 Ca -0.45 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2wsq h VAL 169 Cb 1.24 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2wsq h VAL 169 CO 0.88 0.14 0.00 -2.67 0.02 0.00 0.00 177.57 175.94 2wsq n TRP 170 N -4.56 0.56 0.72 1.57 4.27 -1.26 -1.88 117.44 116.85 2wsq n TRP 170 Ca 0.17 0.26 0.08 0.00 -3.89 0.00 0.00 57.50 54.12 2wsq n TRP 170 Cb 0.43 -0.91 -0.01 0.00 -1.36 0.00 0.00 31.31 29.45 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 -1.70 3.30 -2.65 -1.67 0.00 -0.70 -4.70 120.51 112.39 2wsq n ALA 171 Ca 0.00 -0.53 -0.42 0.00 0.00 0.00 0.00 53.44 52.50 2wsq n ALA 171 Cb 0.11 -0.57 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.99 4.79 -1.31 0.00 1.01 -0.79 -1.75 121.20 121.17 2wsq s ILE 172 Ca 0.13 1.66 0.00 0.00 0.00 0.00 0.00 60.65 62.44 2wsq s ILE 172 Cb 0.13 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.43 2wsq s ILE 172 CO 0.44 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.88 2wsq n GLY 173 N 3.67 0.44 0.12 6.18 0.00 -1.26 -4.81 105.19 109.52 2wsq n GLY 173 Ca 0.07 0.00 0.07 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 -2.65 0.00 -0.95 2.61 -2.24 -1.25 -4.98 114.28 104.82 2wsq n THR 174 Ca -0.15 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2wsq n THR 174 Cb 0.53 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 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 1.30 0.42 3.14 3.38 0.00 -1.26 -4.96 105.19 107.20 2wsq n GLY 175 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2wsq n GLY 175 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wsq s LYS 176 N -0.59 3.12 0.71 1.61 2.36 -1.26 -5.06 119.74 120.63 2wsq s LYS 176 Ca 0.00 -2.95 -0.13 0.00 -2.55 0.00 0.00 55.97 50.34 2wsq s LYS 176 Cb 0.00 -3.96 0.03 0.00 -1.05 0.00 0.00 37.83 32.85 2wsq s LYS 176 CO 0.00 -1.24 1.11 0.08 1.55 0.00 0.00 175.35 176.85 2wsq s VAL 177 N -0.77 3.18 0.30 4.02 1.01 -1.26 -4.34 120.40 122.53 2wsq s VAL 177 Ca 0.23 0.49 -0.28 0.00 0.00 0.00 0.00 61.98 62.42 2wsq s VAL 177 Cb -0.12 -2.98 -0.09 0.00 0.00 0.00 0.00 36.38 33.19 2wsq s VAL 177 CO -0.09 -0.40 1.01 0.00 0.00 0.00 0.00 175.10 175.62 2wsq s ALA 178 N -2.53 3.29 0.85 5.51 0.00 -1.26 -5.04 121.76 122.59 2wsq s ALA 178 Ca 0.65 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 53.22 2wsq s ALA 178 Cb -0.20 -3.26 0.11 0.00 0.00 0.00 0.00 23.12 19.77 2wsq s ALA 178 CO 0.47 0.00 1.10 0.95 0.00 0.00 0.00 175.76 178.28 2wsq s THR 179 N -1.34 2.84 0.42 0.00 -4.23 -1.26 -4.77 115.64 107.29 2wsq s THR 179 Ca 0.47 0.27 0.12 0.00 -1.18 0.00 0.00 61.69 61.38 2wsq s THR 179 Cb -0.26 -2.66 0.32 0.00 1.34 0.00 0.00 72.50 71.25 2wsq s THR 179 CO 0.33 -0.36 1.96 -0.65 -0.54 0.00 0.00 174.62 175.36 2wsq h PRO 180 N -1.46 0.47 -0.01 3.99 0.11 -1.96 -1.31 132.00 131.83 2wsq h PRO 180 Ca -0.46 -0.03 -0.26 0.00 0.11 0.00 0.00 66.00 65.36 2wsq h PRO 180 Cb 1.26 -0.11 0.02 0.00 0.11 0.00 0.00 31.00 32.28 2wsq h PRO 180 CO 0.51 0.31 -1.02 1.96 -0.21 0.00 0.00 178.00 179.55 2wsq h GLN 181 N 0.49 0.68 -0.61 1.05 1.08 -1.97 -1.50 115.11 114.33 2wsq h GLN 181 Ca 0.30 -0.72 -0.04 0.00 -1.45 0.00 0.00 58.65 56.74 2wsq h GLN 181 Cb 0.53 0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 28.14 2wsq h GLN 181 CO -0.09 1.30 0.22 1.96 -0.95 0.00 0.00 178.83 181.27 2wsq h GLN 182 N 0.39 0.94 0.24 1.46 4.20 -1.75 -0.88 115.11 119.71 2wsq h GLN 182 Ca -0.12 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.39 2wsq h GLN 182 Cb 1.67 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.30 2wsq h GLN 182 CO 0.20 0.82 -0.12 0.00 -0.67 0.00 0.00 178.83 179.06 2wsq h ALA 183 N 1.08 -0.32 -0.77 3.87 0.00 -1.24 -2.81 119.26 119.07 2wsq h ALA 183 Ca 0.20 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2wsq h ALA 183 Cb 0.25 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 2wsq h ALA 183 CO -0.01 -0.49 0.45 0.37 0.00 0.00 0.00 179.25 179.57 2wsq h GLN 184 N -0.71 0.78 -0.13 0.00 5.75 -1.30 -0.78 115.11 118.72 2wsq h GLN 184 Ca -0.03 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.45 2wsq h GLN 184 Cb 0.49 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.83 2wsq h GLN 184 CO 0.05 0.51 -0.06 1.49 -2.65 0.00 0.00 178.83 178.18 2wsq h GLU 185 N 0.80 -0.04 -0.33 1.69 4.81 -1.13 -1.05 114.58 119.34 2wsq h GLU 185 Ca 0.35 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.42 2wsq h GLU 185 Cb 0.24 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 2wsq h GLU 185 CO -0.20 -0.02 -0.46 1.15 -0.73 0.00 0.00 179.01 178.75 2wsq h THR 186 N -0.04 1.28 -0.80 0.32 2.02 -1.21 -2.38 112.91 112.10 2wsq h THR 186 Ca 0.07 -1.64 -0.03 0.00 0.77 0.00 0.00 66.41 65.58 2wsq h THR 186 Cb 0.14 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 68.02 2wsq h THR 186 CO -0.16 0.54 0.39 0.45 0.37 0.00 0.00 175.52 177.11 2wsq h HIS 187 N 0.69 1.14 -0.57 3.16 3.86 -1.03 -0.38 115.15 122.03 2wsq h HIS 187 Ca 0.04 -0.05 -0.10 0.00 -1.16 0.00 0.00 60.37 59.10 2wsq h HIS 187 Cb 1.05 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 2wsq h HIS 187 CO 0.06 0.83 -0.03 0.00 0.86 0.00 0.00 177.93 179.65 2wsq h ALA 188 N 1.28 0.78 -0.78 2.45 0.00 -1.19 -1.15 119.26 120.66 2wsq h ALA 188 Ca 0.28 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2wsq h ALA 188 Cb 0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2wsq h ALA 188 CO -0.04 0.63 0.51 1.25 0.00 0.00 0.00 179.25 181.61 2wsq h LEU 189 N 0.92 0.87 0.66 0.00 5.85 -0.80 -0.85 115.31 121.95 2wsq h LEU 189 Ca 0.16 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2wsq h LEU 189 Cb 0.58 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.41 2wsq h LEU 189 CO 0.03 0.62 -0.32 0.40 -0.34 0.00 0.00 178.44 178.84 2wsq h ILE 190 N 1.02 0.26 -0.74 4.05 2.04 -0.90 -2.64 117.51 120.60 2wsq h ILE 190 Ca 0.29 -0.21 0.10 0.00 1.00 0.00 0.00 64.86 66.05 2wsq h ILE 190 Cb -0.07 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.28 2wsq h ILE 190 CO -0.08 0.02 0.49 -0.09 0.00 0.00 0.00 178.15 178.49 2wsq h ARG 191 N -1.05 0.59 -0.10 2.37 2.43 -1.12 -1.34 114.38 116.17 2wsq h ARG 191 Ca -0.09 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 2wsq h ARG 191 Cb 0.72 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2wsq h ARG 191 CO 0.15 0.39 -0.02 1.03 -1.51 0.00 0.00 179.97 180.01 2wsq h SER 192 N 0.61 0.20 -0.41 -3.80 0.87 -1.16 -1.36 113.55 108.48 2wsq h SER 192 Ca 0.34 -0.36 0.07 0.00 -1.23 0.00 0.00 61.79 60.62 2wsq h SER 192 Cb 0.52 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.37 2wsq h SER 192 CO -0.12 0.51 0.03 -0.25 -0.53 0.00 0.00 176.83 176.47 2wsq h TRP 193 N -0.12 0.04 -0.11 2.24 7.01 -1.05 -1.88 115.95 122.08 2wsq h TRP 193 Ca 0.03 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.08 2wsq h TRP 193 Cb 0.42 0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.51 2wsq h TRP 193 CO 0.05 -0.05 -0.04 0.28 -2.79 0.00 0.00 178.44 175.89 2wsq h VAL 194 N 0.15 0.87 -0.92 2.65 2.07 -1.04 0.16 116.25 120.18 2wsq h VAL 194 Ca 0.20 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 2wsq h VAL 194 Cb 0.28 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2wsq h VAL 194 CO -0.31 0.00 0.56 0.77 0.02 0.00 0.00 177.57 178.61 2wsq h SER 195 N -0.02 1.10 -0.08 0.57 4.64 -0.95 0.87 113.55 119.68 2wsq h SER 195 Ca 0.06 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2wsq h SER 195 Cb 0.10 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.91 2wsq h SER 195 CO -0.12 0.84 -0.13 0.28 -0.87 0.00 0.00 176.83 176.83 2wsq h SER 196 N 1.27 0.26 0.72 4.97 0.02 -1.12 -2.54 113.55 117.12 2wsq h SER 196 Ca 0.33 -0.53 -0.26 0.00 -0.84 0.00 0.00 61.79 60.49 2wsq h SER 196 Cb -0.06 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 2wsq h SER 196 CO -0.06 0.74 -1.19 0.11 -1.14 0.00 0.00 176.83 175.29 2wsq h LYS 197 N -0.22 0.21 0.00 3.45 1.79 -0.56 -3.43 116.57 117.81 2wsq h LYS 197 Ca 0.01 -0.35 -0.23 0.00 -2.18 0.00 0.00 60.65 57.90 2wsq h LYS 197 Cb 0.68 0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.43 2wsq h LYS 197 CO 0.03 1.17 -1.72 -0.89 -1.08 0.00 0.00 179.45 176.95 2wsq n ILE 198 N -3.49 0.85 0.00 1.86 2.08 0.30 -5.06 119.36 115.90 2wsq n ILE 198 Ca -0.07 -0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.08 2wsq n ILE 198 Cb 1.00 -1.72 0.00 0.00 -0.75 0.00 0.00 39.64 38.17 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 2.10 3.68 0.23 7.39 0.00 -0.84 -4.95 105.19 112.79 2wsq n GLY 199 Ca -0.27 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 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 0.43 -0.32 4.61 0.00 -1.86 -1.58 119.26 120.54 2wsq h ALA 200 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2wsq h ALA 200 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2wsq h ALA 200 CO 0.00 0.54 0.12 -0.44 0.00 0.00 0.00 179.25 179.47 2wsq h ASP 201 N 0.53 0.45 -0.24 0.00 5.19 -1.95 -1.89 116.42 118.49 2wsq h ASP 201 Ca 0.03 -0.17 0.01 0.00 -0.62 0.00 0.00 57.03 56.27 2wsq h ASP 201 Cb 0.99 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.37 2wsq h ASP 201 CO 0.09 0.50 0.15 0.58 -3.12 0.00 0.00 179.24 177.44 2wsq h VAL 202 N 0.37 1.05 -0.79 -1.35 2.07 -1.90 -1.81 116.25 113.88 2wsq h VAL 202 Ca 0.11 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2wsq h VAL 202 Cb 0.20 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 2wsq h VAL 202 CO -0.01 0.06 0.52 0.00 0.02 0.00 0.00 177.57 178.16 2wsq h ALA 203 N 1.10 1.50 0.00 1.67 0.00 -1.16 -1.89 119.26 120.47 2wsq h ALA 203 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2wsq h ALA 203 Cb -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.48 2wsq h ALA 203 CO -0.03 0.43 0.00 0.78 0.00 0.00 0.00 179.25 180.43 2wsq h GLY 204 N 1.00 0.00 0.40 0.00 0.00 -0.91 -3.17 103.07 100.39 2wsq h GLY 204 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2wsq h GLY 204 CO -0.08 0.00 -1.57 -2.21 0.00 0.00 0.00 176.54 172.68 2wsq n GLU 205 N -2.61 0.61 -2.11 4.80 4.07 -0.72 -4.42 120.64 120.26 2wsq n GLU 205 Ca 0.04 -0.07 -0.42 0.00 -0.06 0.00 0.00 57.16 56.65 2wsq n GLU 205 Cb 0.44 -1.64 -0.03 0.00 -0.06 0.00 0.00 31.44 30.15 2wsq n GLU 205 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2wsq s LEU 206 N -4.77 4.36 -0.28 4.31 2.96 -0.75 -4.84 118.68 119.67 2wsq s LEU 206 Ca -0.04 2.35 -0.26 0.00 -0.22 0.00 0.00 54.13 55.96 2wsq s LEU 206 Cb 0.12 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.24 2wsq s LEU 206 CO 0.86 -0.73 0.92 -0.13 -1.32 0.00 0.00 176.35 175.95 2wsq s ARG 207 N 1.63 4.10 -0.33 1.98 3.00 -1.26 -4.92 118.95 123.15 2wsq s ARG 207 Ca 0.67 0.95 -0.05 0.00 0.00 0.00 0.00 55.73 57.30 2wsq s ARG 207 Cb -0.37 -3.69 0.05 0.00 0.00 0.00 0.00 34.95 30.93 2wsq s ARG 207 CO 0.30 -0.68 0.07 0.42 0.00 0.00 0.00 175.30 175.40 2wsq s ILE 208 N 3.14 3.46 0.22 1.52 1.01 -1.25 -1.50 121.20 127.79 2wsq s ILE 208 Ca 0.38 -1.26 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 2wsq s ILE 208 Cb -0.14 -2.98 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 2wsq s ILE 208 CO 0.11 -0.17 0.44 -0.76 0.00 0.00 0.00 174.94 174.56 2wsq s LEU 209 N 1.34 4.18 -0.15 2.97 1.43 0.15 -1.08 118.68 127.53 2wsq s LEU 209 Ca -0.03 0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 53.56 2wsq s LEU 209 Cb -0.20 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 2wsq s LEU 209 CO 0.01 -0.07 0.03 -0.47 0.23 0.00 0.00 176.35 176.08 2wsq s TYR 210 N -1.89 3.21 -0.01 0.29 5.04 -0.41 0.63 117.35 124.21 2wsq s TYR 210 Ca 0.41 0.07 0.02 0.00 -2.44 0.00 0.00 57.07 55.13 2wsq s TYR 210 Cb -0.11 -1.96 -0.00 0.00 0.35 0.00 0.00 41.96 40.23 2wsq s TYR 210 CO 0.28 0.25 -0.08 0.20 -1.34 0.00 0.00 175.55 174.86 2wsq s GLY 211 N -0.08 0.41 0.00 8.97 0.00 0.16 -1.51 107.32 115.27 2wsq s GLY 211 Ca 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.44 2wsq s GLY 211 CO 0.02 -0.23 0.00 0.61 0.00 0.00 0.00 173.10 173.49 2wsq n GLY 212 N 2.98 2.07 2.87 0.20 0.00 -1.26 -3.95 105.19 108.10 2wsq n GLY 212 Ca -0.14 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.37 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 -5.06 -4.75 1.61 7.64 -0.71 -4.28 113.62 108.07 2wsq n SER 213 Ca 0.00 -0.31 -0.40 0.00 1.01 0.00 0.00 58.87 59.17 2wsq n SER 213 Cb 0.00 -3.77 -0.05 0.00 -1.01 0.00 0.00 64.21 59.38 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 -3.14 4.56 0.33 0.44 1.01 -1.26 -4.46 120.40 117.89 2wsq s VAL 214 Ca 0.34 1.76 0.03 0.00 0.00 0.00 0.00 61.98 64.11 2wsq s VAL 214 Cb -0.15 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 2wsq s VAL 214 CO 0.42 0.40 0.35 0.54 0.00 0.00 0.00 175.10 176.81 2wsq s ASN 215 N -0.36 1.32 0.32 3.32 2.20 -1.26 -4.45 114.94 116.03 2wsq s ASN 215 Ca 0.40 -1.64 0.09 0.00 -0.94 0.00 0.00 52.86 50.77 2wsq s ASN 215 Cb -0.22 0.60 0.89 0.00 -2.00 0.00 0.00 41.25 40.52 2wsq s ASN 215 CO 0.26 -1.15 1.70 1.23 -2.94 0.00 0.00 177.10 176.19 2wsq h GLY 216 N 2.14 1.83 0.10 0.45 0.00 -1.94 -2.44 103.07 103.22 2wsq h GLY 216 Ca -0.27 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 2wsq h GLY 216 CO 0.38 -0.33 -0.02 0.50 0.00 0.00 0.00 176.54 177.07 2wsq h LYS 217 N 0.44 -0.05 0.00 4.80 1.57 -1.96 -3.37 116.57 118.00 2wsq h LYS 217 Ca 0.64 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.43 2wsq h LYS 217 Cb 1.30 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 2wsq h LYS 217 CO -0.54 0.51 -0.01 -2.95 -0.57 0.00 0.00 179.45 175.90 2wsq h ASN 218 N -0.95 0.00 0.14 0.86 7.08 -1.95 -3.32 115.58 117.44 2wsq h ASN 218 Ca -0.01 0.00 0.02 0.00 -3.08 0.00 0.00 56.30 53.23 2wsq h ASN 218 Cb 0.59 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.79 2wsq h ASN 218 CO 0.01 0.01 -0.41 0.00 -2.08 0.00 0.00 177.43 174.96 2wsq h ALA 219 N 1.99 -0.74 -0.92 4.14 0.00 -1.60 -3.06 119.26 119.07 2wsq h ALA 219 Ca -0.00 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.95 2wsq h ALA 219 Cb 0.57 0.68 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 2wsq h ALA 219 CO 0.00 -0.98 -0.48 -0.09 0.00 0.00 0.00 179.25 177.70 2wsq h ARG 220 N -0.66 -0.04 0.00 0.00 2.43 -1.78 -0.82 114.38 113.51 2wsq h ARG 220 Ca 0.02 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 2wsq h ARG 220 Cb 0.68 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2wsq h ARG 220 CO -0.22 -0.03 -0.25 1.15 -1.51 0.00 0.00 179.97 179.11 2wsq h THR 221 N -0.05 0.96 -0.01 0.20 2.02 -1.79 -3.03 112.91 111.21 2wsq h THR 221 Ca 0.24 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 2wsq h THR 221 Cb 0.52 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2wsq h THR 221 CO -0.91 0.25 -0.01 -0.07 0.37 0.00 0.00 175.52 175.15 2wsq h LEU 222 N 0.00 0.02 -1.78 2.58 3.38 -1.07 -3.15 115.31 115.29 2wsq h LEU 222 Ca -0.00 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2wsq h LEU 222 Cb 0.52 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2wsq h LEU 222 CO 0.03 0.47 0.03 0.22 0.09 0.00 0.00 178.44 179.28 2wsq h TYR 223 N -0.43 0.16 0.00 1.13 3.20 -1.28 -1.88 116.97 117.87 2wsq h TYR 223 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2wsq h TYR 223 Cb 0.46 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.68 2wsq h TYR 223 CO 0.08 0.15 0.00 1.96 -1.64 0.00 0.00 178.16 178.71 2wsq h GLN 224 N 0.17 0.00 -7.04 1.82 4.20 -1.49 -3.43 115.11 109.34 2wsq h GLN 224 Ca 0.04 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.22 2wsq h GLN 224 Cb 0.07 0.00 0.11 0.00 0.30 0.00 0.00 27.48 27.96 2wsq h GLN 224 CO -0.00 0.00 0.54 -0.65 -0.67 0.00 0.00 178.83 178.05 2wsq s GLN 225 N -3.59 3.34 0.26 1.46 -1.52 -0.71 -4.93 119.66 113.98 2wsq s GLN 225 Ca 0.00 2.01 -0.04 0.00 -1.95 0.00 0.00 55.36 55.38 2wsq s GLN 225 Cb 0.09 -2.27 0.34 0.00 -0.22 0.00 0.00 33.01 30.95 2wsq s GLN 225 CO 0.38 -0.96 1.92 -0.09 -0.25 0.00 0.00 175.29 176.29 2wsq h ARG 226 N 1.60 1.23 -0.42 2.91 2.43 -1.89 -3.16 114.38 117.08 2wsq h ARG 226 Ca -0.50 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 58.52 2wsq h ARG 226 Cb 1.28 -0.28 -0.04 0.00 -0.42 0.00 0.00 29.97 30.51 2wsq h ARG 226 CO 0.58 0.81 0.05 -0.25 -1.51 0.00 0.00 179.97 179.65 2wsq n ASP 227 N -4.43 4.15 -4.48 -3.80 8.00 -1.26 -4.93 116.55 109.81 2wsq n ASP 227 Ca 0.13 -3.16 -0.35 0.00 0.71 0.00 0.00 54.79 52.12 2wsq n ASP 227 Cb 0.08 -0.62 -0.12 0.00 -0.02 0.00 0.00 41.12 40.44 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 -2.92 4.20 -0.18 2.53 1.01 -1.20 -4.70 120.40 119.14 2wsq s VAL 228 Ca 0.47 -0.23 0.15 0.00 0.00 0.00 0.00 61.98 62.37 2wsq s VAL 228 Cb 0.38 -2.92 0.38 0.00 0.00 0.00 0.00 36.38 34.22 2wsq s VAL 228 CO 0.10 0.41 1.23 0.59 0.00 0.00 0.00 175.10 177.42 2wsq n ASN 229 N 4.32 2.23 0.00 3.32 4.13 -0.24 -4.87 115.26 124.16 2wsq n ASN 229 Ca -0.17 -3.46 0.00 0.00 1.68 0.00 0.00 54.58 52.64 2wsq n ASN 229 Cb 0.52 -0.50 0.00 0.00 -1.54 0.00 0.00 39.78 38.26 2wsq n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wsq n GLY 230 N -1.22 0.68 3.19 7.41 0.00 -1.26 -2.22 105.19 111.77 2wsq n GLY 230 Ca 0.19 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.54 0.11 -0.17 1.61 0.08 -0.80 -1.29 117.98 115.99 2wsq s PHE 231 Ca 0.00 -0.43 -0.01 0.00 0.12 0.00 0.00 56.93 56.61 2wsq s PHE 231 Cb 0.00 -0.05 -0.01 0.00 -0.57 0.00 0.00 43.02 42.39 2wsq s PHE 231 CO 0.00 -0.48 -0.12 -1.17 -0.10 0.00 0.00 175.22 173.35 2wsq s LEU 232 N -2.46 2.64 -0.04 -0.37 2.96 -0.57 -0.96 118.68 119.89 2wsq s LEU 232 Ca -0.00 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 2wsq s LEU 232 Cb 0.02 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 45.09 2wsq s LEU 232 CO -0.07 0.08 -0.12 0.54 -1.32 0.00 0.00 176.35 175.46 2wsq s VAL 233 N 0.88 1.02 0.00 1.68 0.11 0.28 -4.03 120.40 120.33 2wsq s VAL 233 Ca -0.03 -0.47 0.00 0.00 -2.93 0.00 0.00 61.98 58.55 2wsq s VAL 233 Cb -0.15 -0.90 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 2wsq s VAL 233 CO -0.00 0.31 0.00 0.61 -3.33 0.00 0.00 175.10 172.69 2wsq n GLY 234 N 3.37 -0.15 0.43 6.54 0.00 -1.26 -1.39 105.19 112.74 2wsq n GLY 234 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.87 1.48 -0.02 0.00 -1.91 0.11 103.07 101.86 2wsq h GLY 235 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 47.33 47.94 2wsq h GLY 235 CO 0.00 -0.20 0.25 0.00 0.00 0.00 0.00 176.54 176.59 2wsq h ALA 236 N -0.02 1.23 0.00 3.60 0.00 -1.91 -1.75 119.26 120.41 2wsq h ALA 236 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2wsq h ALA 236 Cb 0.65 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2wsq h ALA 236 CO -0.46 -0.23 -0.05 1.03 0.00 0.00 0.00 179.25 179.54 2wsq h SER 237 N 0.00 0.00 -0.26 0.00 0.87 -1.21 -2.65 113.55 110.30 2wsq h SER 237 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2wsq h SER 237 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2wsq h SER 237 CO 0.00 0.05 0.00 0.18 -0.53 0.00 0.00 176.83 176.53 2wsq n LEU 238 N -3.15 3.19 -4.51 2.23 7.99 -0.66 -4.86 117.00 117.23 2wsq n LEU 238 Ca 0.01 -1.28 -0.25 0.00 -0.01 0.00 0.00 56.01 54.48 2wsq n LEU 238 Cb 0.36 -0.16 -0.10 0.00 -0.11 0.00 0.00 43.42 43.41 2wsq n LEU 238 CO 0.29 0.64 -0.45 -0.54 -1.51 0.00 0.00 177.39 175.82 2wsq s LYS 239 N -1.68 1.84 0.00 3.23 1.02 -1.00 -5.02 119.74 118.14 2wsq s LYS 239 Ca 0.35 -1.53 0.15 0.00 0.02 0.00 0.00 55.97 54.96 2wsq s LYS 239 Cb 0.22 -1.95 0.71 0.00 -0.52 0.00 0.00 37.83 36.28 2wsq s LYS 239 CO 0.31 0.38 1.44 -0.35 -0.92 0.00 0.00 175.35 176.21 2wsq n PRO 240 N -0.31 0.13 0.00 -1.68 -0.04 -1.26 -2.03 135.00 129.81 2wsq n PRO 240 Ca -0.08 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2wsq n PRO 240 Cb 0.58 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 2wsq n PRO 240 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2wsq n GLU 241 N -1.37 0.00 -0.34 0.54 0.28 -1.26 -1.71 120.64 116.79 2wsq n GLU 241 Ca 0.06 0.40 -0.04 0.00 -0.16 0.00 0.00 57.16 57.42 2wsq n GLU 241 Cb 0.14 -1.50 0.09 0.00 1.43 0.00 0.00 31.44 31.60 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 1.22 -0.67 -1.84 3.57 -1.50 -2.48 116.94 115.24 2wsq h PHE 242 Ca 0.00 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.53 2wsq h PHE 242 Cb 0.01 -0.40 -0.05 0.00 2.79 0.00 0.00 35.95 38.31 2wsq h PHE 242 CO 0.00 0.82 0.40 0.28 -2.23 0.00 0.00 178.31 177.58 2wsq h VAL 243 N 1.26 1.05 -0.74 1.41 2.07 -1.59 0.16 116.25 119.87 2wsq h VAL 243 Ca 0.32 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 67.68 2wsq h VAL 243 Cb -0.02 0.21 -0.08 0.00 -1.52 0.00 0.00 31.29 29.88 2wsq h VAL 243 CO -0.06 0.14 0.37 0.44 0.02 0.00 0.00 177.57 178.48 2wsq h ASP 244 N 0.77 0.47 -0.80 0.57 3.32 -1.63 -1.41 116.42 117.72 2wsq h ASP 244 Ca 0.28 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.39 2wsq h ASP 244 Cb 0.08 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 2wsq h ASP 244 CO -0.13 0.26 0.47 0.40 -1.72 0.00 0.00 179.24 178.52 2wsq h ILE 245 N 0.61 1.23 -0.50 0.35 2.04 -0.38 -1.30 117.51 119.55 2wsq h ILE 245 Ca 0.37 -0.52 -0.08 0.00 1.00 0.00 0.00 64.86 65.64 2wsq h ILE 245 Cb 0.42 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2wsq h ILE 245 CO -0.29 0.24 0.02 0.40 0.00 0.00 0.00 178.15 178.52 2wsq h ILE 246 N 1.10 1.26 0.00 -0.67 2.04 -0.53 -2.59 117.51 118.12 2wsq h ILE 246 Ca 0.29 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 2wsq h ILE 246 Cb -0.02 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2wsq h ILE 246 CO -0.05 0.37 -0.11 0.11 0.00 0.00 0.00 178.15 178.47 2wsq h LYS 247 N 0.75 0.00 0.00 2.37 6.56 -1.11 -2.29 116.57 122.85 2wsq h LYS 247 Ca 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 2wsq h LYS 247 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 2wsq h LYS 247 CO 0.02 0.11 0.00 0.00 -2.06 0.00 0.00 179.45 177.52 2wsq n ALA 248 N -2.15 1.54 -1.73 3.86 0.00 -0.50 -3.94 120.51 117.58 2wsq n ALA 248 Ca 0.01 0.03 -0.33 0.00 0.00 0.00 0.00 53.44 53.15 2wsq n ALA 248 Cb 0.40 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.83 3.85 -1.69 0.00 -2.24 -0.86 -4.69 114.28 106.83 2wsq n THR 249 Ca 0.02 -3.67 0.00 0.00 -2.27 0.00 0.00 64.05 58.13 2wsq n THR 249 Cb 0.16 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 66.81 2wsq n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50