#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wsr s LYS 3 N 0.00 3.72 1.14 1.43 1.02 -1.26 -5.02 119.74 120.78 2wsr s LYS 3 Ca 0.00 2.04 -0.18 0.00 0.02 0.00 0.00 55.97 57.85 2wsr s LYS 3 Cb 0.00 -2.53 0.26 0.00 -0.52 0.00 0.00 37.83 35.04 2wsr s LYS 3 CO 0.00 -0.66 1.16 -1.25 -0.92 0.00 0.00 175.35 173.68 2wsr s PRO 4 N -2.53 -0.75 0.06 -1.68 0.04 -1.26 -4.95 135.00 123.93 2wsr s PRO 4 Ca 0.62 -0.12 -0.32 0.00 0.04 0.00 0.00 61.00 61.22 2wsr s PRO 4 Cb -0.35 -1.66 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 2wsr s PRO 4 CO 0.44 -3.39 1.84 0.94 0.04 0.00 0.00 177.00 176.87 2wsr n GLN 5 N -4.52 2.58 -1.31 4.56 7.27 -1.26 -4.99 117.38 119.71 2wsr n GLN 5 Ca 0.13 0.94 -0.31 0.00 0.07 0.00 0.00 57.00 57.83 2wsr n GLN 5 Cb 0.59 -2.82 0.09 0.00 2.41 0.00 0.00 30.24 30.51 2wsr n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2wsr s PRO 6 N 3.13 2.36 -0.03 3.69 0.04 -1.26 -4.88 135.00 138.04 2wsr s PRO 6 Ca 0.85 1.13 0.04 0.00 0.04 0.00 0.00 61.00 63.07 2wsr s PRO 6 Cb -0.55 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 2wsr s PRO 6 CO 0.42 -1.56 -0.16 0.42 0.04 0.00 0.00 177.00 176.16 2wsr s ILE 7 N -2.93 1.27 -0.23 0.56 1.01 -0.93 -1.50 121.20 118.45 2wsr s ILE 7 Ca 0.61 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.62 2wsr s ILE 7 Cb -0.17 -1.08 0.05 0.00 0.01 0.00 0.00 42.46 41.28 2wsr s ILE 7 CO 0.56 0.36 -0.11 0.00 0.00 0.00 0.00 174.94 175.75 2wsr s ALA 8 N -0.12 2.29 -0.11 9.38 0.00 -0.51 -1.53 121.76 131.15 2wsr s ALA 8 Ca 0.01 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.52 2wsr s ALA 8 Cb -0.09 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 2wsr s ALA 8 CO 0.01 -0.96 -0.19 0.00 0.00 0.00 0.00 175.76 174.61 2wsr s ALA 9 N 1.25 2.39 -0.30 0.00 0.00 -0.25 -1.48 121.76 123.37 2wsr s ALA 9 Ca -0.04 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 2wsr s ALA 9 Cb -0.18 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 2wsr s ALA 9 CO -0.07 0.29 0.18 0.00 0.00 0.00 0.00 175.76 176.15 2wsr s ALA 10 N 0.28 3.42 -0.43 0.00 0.00 0.80 -0.65 121.76 125.19 2wsr s ALA 10 Ca -0.14 -1.24 -0.10 0.00 0.00 0.00 0.00 51.96 50.48 2wsr s ALA 10 Cb -0.17 -2.46 0.08 0.00 0.00 0.00 0.00 23.12 20.57 2wsr s ALA 10 CO 0.07 -0.73 0.28 1.21 0.00 0.00 0.00 175.76 176.59 2wsr s ASN 11 N 1.70 5.74 0.00 0.00 3.84 0.17 -0.72 114.94 125.66 2wsr s ASN 11 Ca 0.06 -1.46 0.27 0.00 0.21 0.00 0.00 52.86 51.94 2wsr s ASN 11 Cb -0.16 -2.02 1.38 0.00 -0.55 0.00 0.00 41.25 39.89 2wsr s ASN 11 CO 0.09 -0.55 1.92 0.79 -2.79 0.00 0.00 177.10 176.56 2wsr n TRP 12 N 4.97 0.00 0.00 0.43 8.01 -0.94 -4.39 117.44 125.53 2wsr n TRP 12 Ca -0.10 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.09 2wsr n TRP 12 Cb 0.43 -0.26 0.00 0.00 -2.01 0.00 0.00 31.31 29.47 2wsr n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2wsr n LYS 13 N -1.26 0.00 -0.42 -0.99 5.02 -1.26 -1.31 118.16 117.93 2wsr n LYS 13 Ca 0.13 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.53 2wsr n LYS 13 Cb 0.20 0.00 0.32 0.00 -0.02 0.00 0.00 35.03 35.53 2wsr n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wsr s ASN 15 N -0.96 6.60 0.00 0.00 0.01 -0.43 -4.99 114.94 115.17 2wsr s ASN 15 Ca 0.47 1.33 0.00 0.00 -0.71 0.00 0.00 52.86 53.95 2wsr s ASN 15 Cb 0.26 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 39.52 2wsr s ASN 15 CO 0.29 -0.45 0.00 0.61 -1.51 0.00 0.00 177.10 176.05 2wsr n GLY 16 N -1.27 0.01 3.99 0.66 0.00 -1.26 -4.94 105.19 102.37 2wsr n GLY 16 Ca 0.04 -1.56 -0.19 0.00 0.00 0.00 0.00 46.02 44.31 2wsr n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wsr s SER 17 N -1.36 5.67 0.31 1.61 1.04 -1.26 -4.91 113.70 114.80 2wsr s SER 17 Ca 0.00 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.24 2wsr s SER 17 Cb 0.00 -0.95 0.53 0.00 0.10 0.00 0.00 66.02 65.70 2wsr s SER 17 CO 0.00 -0.75 1.96 -0.61 0.98 0.00 0.00 173.24 174.81 2wsr h GLN 18 N 0.55 0.98 -0.15 4.02 4.15 -1.99 -1.20 115.11 121.48 2wsr h GLN 18 Ca -0.43 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 58.91 2wsr h GLN 18 Cb 1.27 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.74 2wsr h GLN 18 CO 0.50 0.65 0.01 0.37 -1.93 0.00 0.00 178.83 178.43 2wsr h GLN 19 N 1.01 0.26 -0.46 1.69 4.15 -1.99 -1.76 115.11 118.02 2wsr h GLN 19 Ca 0.32 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.60 2wsr h GLN 19 Cb 0.03 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 2wsr h GLN 19 CO -0.09 0.46 0.01 0.66 -1.93 0.00 0.00 178.83 177.94 2wsr h SER 20 N 0.02 0.78 -0.37 -0.69 4.64 -1.88 -2.15 113.55 113.90 2wsr h SER 20 Ca 0.04 -0.30 -0.04 0.00 -0.47 0.00 0.00 61.79 61.02 2wsr h SER 20 Cb 0.34 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 2wsr h SER 20 CO 0.01 0.89 0.09 -0.07 -0.87 0.00 0.00 176.83 176.88 2wsr h LEU 21 N 0.65 0.63 -0.96 5.97 3.38 -1.29 -2.73 115.31 120.96 2wsr h LEU 21 Ca 0.13 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2wsr h LEU 21 Cb 0.49 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2wsr h LEU 21 CO 0.02 0.64 -0.25 0.77 0.09 0.00 0.00 178.44 179.71 2wsr h SER 22 N 0.66 0.46 -0.71 -0.43 4.64 -1.00 -1.51 113.55 115.66 2wsr h SER 22 Ca 0.15 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 2wsr h SER 22 Cb 0.27 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 2wsr h SER 22 CO -0.00 0.71 0.31 -0.33 -0.87 0.00 0.00 176.83 176.65 2wsr h GLU 23 N 0.40 1.04 -0.42 4.77 5.08 -1.11 -1.32 114.58 123.02 2wsr h GLU 23 Ca 0.06 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2wsr h GLU 23 Cb 0.66 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2wsr h GLU 23 CO 0.05 0.84 0.15 -0.07 -1.00 0.00 0.00 179.01 178.97 2wsr h LEU 24 N 1.00 0.59 -0.55 1.33 3.38 -1.23 -1.95 115.31 117.88 2wsr h LEU 24 Ca 0.24 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.09 2wsr h LEU 24 Cb 0.16 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 2wsr h LEU 24 CO -0.03 0.62 0.24 0.40 0.09 0.00 0.00 178.44 179.77 2wsr h ILE 25 N 0.53 0.87 -0.73 1.22 2.04 -1.14 -0.55 117.51 119.76 2wsr h ILE 25 Ca 0.14 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2wsr h ILE 25 Cb 0.23 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 2wsr h ILE 25 CO -0.01 0.08 0.46 0.44 0.00 0.00 0.00 178.15 179.13 2wsr h ASP 26 N 0.46 0.85 -0.14 1.72 3.32 -0.96 -0.05 116.42 121.61 2wsr h ASP 26 Ca 0.26 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.31 2wsr h ASP 26 Cb 0.24 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 2wsr h ASP 26 CO -0.22 0.64 -0.14 0.25 -1.72 0.00 0.00 179.24 178.04 2wsr h LEU 27 N 0.99 -0.45 -0.27 1.55 5.85 -0.91 -2.19 115.31 119.88 2wsr h LEU 27 Ca 0.26 0.09 0.03 0.00 0.84 0.00 0.00 57.88 59.10 2wsr h LEU 27 Cb -0.07 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2wsr h LEU 27 CO -0.05 -0.19 0.09 -0.26 -0.34 0.00 0.00 178.44 177.69 2wsr h PHE 28 N -0.17 0.16 -0.83 1.25 0.04 -0.56 -2.59 116.94 114.24 2wsr h PHE 28 Ca 0.10 0.01 0.14 0.00 2.80 0.00 0.00 57.97 61.02 2wsr h PHE 28 Cb 0.31 -0.03 -0.06 0.00 2.20 0.00 0.00 35.95 38.37 2wsr h PHE 28 CO -0.27 0.07 0.54 -0.91 -0.60 0.00 0.00 178.31 177.14 2wsr h ASN 29 N 0.21 0.55 1.81 2.17 2.35 -0.87 -2.15 115.58 119.65 2wsr h ASN 29 Ca 0.12 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2wsr h ASN 29 Cb 0.09 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2wsr h ASN 29 CO -0.13 0.28 0.00 0.28 -1.65 0.00 0.00 177.43 176.22 2wsr h SER 30 N 0.58 0.00 -3.16 5.81 0.02 -1.01 -3.45 113.55 112.34 2wsr h SER 30 Ca 0.41 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.81 2wsr h SER 30 Cb 0.75 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 2wsr h SER 30 CO -0.16 0.00 0.63 -0.89 -1.14 0.00 0.00 176.83 175.27 2wsr s THR 31 N -3.21 4.42 -0.16 -2.27 2.01 -0.81 -5.02 115.64 110.60 2wsr s THR 31 Ca 0.07 1.73 -0.28 0.00 0.31 0.00 0.00 61.69 63.52 2wsr s THR 31 Cb 0.07 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 2wsr s THR 31 CO 0.64 0.02 0.96 -0.44 -0.69 0.00 0.00 174.62 175.11 2wsr s SER 32 N 1.31 7.12 -0.23 3.53 0.01 -1.26 -5.04 113.70 119.14 2wsr s SER 32 Ca 0.54 1.39 -0.01 0.00 1.31 0.00 0.00 55.95 59.17 2wsr s SER 32 Cb -0.23 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.50 2wsr s SER 32 CO 0.22 -0.49 -0.10 -0.63 0.41 0.00 0.00 173.24 172.65 2wsr s ILE 33 N 2.36 2.69 -0.71 1.44 1.01 -1.26 -5.02 121.20 121.71 2wsr s ILE 33 Ca 0.44 -0.99 0.24 0.00 0.00 0.00 0.00 60.65 60.34 2wsr s ILE 33 Cb -0.17 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 2wsr s ILE 33 CO 0.13 0.29 1.22 0.59 0.00 0.00 0.00 174.94 177.17 2wsr n ASN 34 N 4.65 0.63 -4.82 3.58 3.02 -1.26 -4.95 115.26 116.11 2wsr n ASN 34 Ca -0.18 -0.10 -0.25 0.00 -0.03 0.00 0.00 54.58 54.02 2wsr n ASN 34 Cb 0.48 0.43 -0.04 0.00 -0.61 0.00 0.00 39.78 40.04 2wsr n ASN 34 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 2wsr s HIS 35 N -3.14 2.25 -0.41 3.10 -3.43 -1.26 -5.09 115.29 107.31 2wsr s HIS 35 Ca 0.06 -0.68 -0.29 0.00 -0.80 0.00 0.00 55.06 53.35 2wsr s HIS 35 Cb 0.15 -1.96 0.02 0.00 -1.43 0.00 0.00 32.58 29.36 2wsr s HIS 35 CO 0.75 -0.09 1.15 0.34 -2.00 0.00 0.00 174.74 174.89 2wsr s ASP 36 N -4.07 6.71 -0.18 7.38 2.15 -1.26 -4.99 116.67 122.40 2wsr s ASP 36 Ca 0.38 0.72 -0.19 0.00 0.43 0.00 0.00 52.55 53.88 2wsr s ASP 36 Cb 0.00 -2.55 0.05 0.00 -0.30 0.00 0.00 42.92 40.13 2wsr s ASP 36 CO 0.22 -1.14 0.54 0.54 -0.17 0.00 0.00 175.17 175.15 2wsr s VAL 37 N 4.27 0.00 -0.34 1.11 0.11 -1.26 -4.30 120.40 119.99 2wsr s VAL 37 Ca 0.49 -0.03 -0.15 0.00 -2.93 0.00 0.00 61.98 59.36 2wsr s VAL 37 Cb -0.10 -0.76 -0.01 0.00 -1.53 0.00 0.00 36.38 33.98 2wsr s VAL 37 CO 0.26 -0.02 0.34 -1.58 -3.33 0.00 0.00 175.10 170.77 2wsr s GLN 38 N 0.09 3.54 -0.01 1.54 2.00 -0.56 -4.92 119.66 121.35 2wsr s GLN 38 Ca -0.02 -0.47 -0.10 0.00 -2.00 0.00 0.00 55.36 52.78 2wsr s GLN 38 Cb -0.04 -3.81 -0.05 0.00 0.80 0.00 0.00 33.01 29.92 2wsr s GLN 38 CO 0.02 -0.51 0.30 0.00 -0.50 0.00 0.00 175.29 174.60 2wsr s VAL 40 N -1.19 0.41 -0.13 0.00 1.01 -0.55 -1.37 120.40 118.58 2wsr s VAL 40 Ca 0.25 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.10 2wsr s VAL 40 Cb -0.14 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 35.86 2wsr s VAL 40 CO 0.13 0.15 -0.17 -0.69 0.00 0.00 0.00 175.10 174.53 2wsr s VAL 41 N 0.37 1.66 -0.53 2.92 1.01 -0.40 -0.14 120.40 125.29 2wsr s VAL 41 Ca -0.04 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 2wsr s VAL 41 Cb -0.08 -1.52 0.14 0.00 0.00 0.00 0.00 36.38 34.92 2wsr s VAL 41 CO -0.00 0.47 0.34 0.00 0.00 0.00 0.00 175.10 175.91 2wsr s ALA 42 N 1.11 3.40 0.69 5.51 0.00 0.10 -0.90 121.76 131.66 2wsr s ALA 42 Ca -0.03 -2.94 -0.11 0.00 0.00 0.00 0.00 51.96 48.88 2wsr s ALA 42 Cb -0.14 -2.55 0.02 0.00 0.00 0.00 0.00 23.12 20.44 2wsr s ALA 42 CO -0.05 -1.97 1.07 -1.25 0.00 0.00 0.00 175.76 173.56 2wsr s PRO 43 N 0.46 2.84 0.70 0.00 0.05 -1.25 -2.21 135.00 135.59 2wsr s PRO 43 Ca 0.13 0.37 -0.16 0.00 0.05 0.00 0.00 61.00 61.39 2wsr s PRO 43 Cb -0.21 -2.06 0.02 0.00 0.05 0.00 0.00 34.50 32.30 2wsr s PRO 43 CO -0.04 -1.00 1.26 -0.98 0.05 0.00 0.00 177.00 176.30 2wsr s ARG 44 N -5.31 2.25 0.21 4.56 1.70 -1.24 -4.58 118.95 116.54 2wsr s ARG 44 Ca 0.58 1.95 -0.12 0.00 -0.47 0.00 0.00 55.73 57.67 2wsr s ARG 44 Cb -0.11 -1.82 0.26 0.00 -0.57 0.00 0.00 34.95 32.71 2wsr s ARG 44 CO 0.51 -1.80 1.64 0.74 -1.08 0.00 0.00 175.30 175.31 2wsr h PHE 45 N 0.07 -0.19 0.00 5.89 -1.00 -1.96 -0.73 116.94 119.01 2wsr h PHE 45 Ca -0.49 0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.34 2wsr h PHE 45 Cb 1.32 0.18 0.00 0.00 3.61 0.00 0.00 35.95 41.06 2wsr h PHE 45 CO 0.43 -0.22 0.00 1.33 -1.61 0.00 0.00 178.31 178.24 2wsr n VAL 46 N -5.36 0.74 0.61 -0.55 0.24 -1.26 -1.77 118.33 110.98 2wsr n VAL 46 Ca 0.08 0.18 0.10 0.00 -2.04 0.00 0.00 64.34 62.66 2wsr n VAL 46 Cb 0.34 -0.93 0.11 0.00 -1.47 0.00 0.00 33.84 31.89 2wsr n VAL 46 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2wsr n MET 47 N -1.37 1.88 -0.22 7.34 2.81 -0.29 -4.65 117.12 122.61 2wsr n MET 47 Ca 0.06 -1.80 -0.07 0.00 -1.81 0.00 0.00 57.70 54.08 2wsr n MET 47 Cb 0.14 -1.39 0.03 0.00 -0.71 0.00 0.00 33.22 31.30 2wsr n MET 47 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2wsr h ILE 48 N 3.75 1.24 -0.06 2.02 2.04 -1.21 -2.05 117.51 123.23 2wsr h ILE 48 Ca 0.00 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 2wsr h ILE 48 Cb 0.82 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2wsr h ILE 48 CO 0.00 0.29 0.03 0.00 0.00 0.00 0.00 178.15 178.47 2wsr h ALA 49 N 1.09 0.08 -0.79 1.87 0.00 -1.83 -1.15 119.26 118.54 2wsr h ALA 49 Ca 0.21 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2wsr h ALA 49 Cb 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2wsr h ALA 49 CO -0.01 -0.36 0.32 0.00 0.00 0.00 0.00 179.25 179.20 2wsr h MET 50 N -0.02 1.17 -0.59 0.00 -0.00 -1.87 -1.79 114.93 111.84 2wsr h MET 50 Ca 0.02 -0.21 -0.00 0.00 -0.00 0.00 0.00 59.70 59.51 2wsr h MET 50 Cb 0.12 -0.19 -0.03 0.00 -0.00 0.00 0.00 31.60 31.50 2wsr h MET 50 CO -0.00 0.95 0.37 1.15 -0.00 0.00 0.00 176.91 179.37 2wsr h THR 51 N 1.14 1.17 -0.00 -0.10 2.02 -1.24 -1.58 112.91 114.32 2wsr h THR 51 Ca 0.26 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 2wsr h THR 51 Cb 0.21 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2wsr h THR 51 CO -0.02 0.17 -0.37 0.50 0.37 0.00 0.00 175.52 176.16 2wsr h LYS 52 N 0.79 0.00 0.00 6.66 3.64 -0.95 0.04 116.57 126.75 2wsr h LYS 52 Ca 0.21 -0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.40 2wsr h LYS 52 Cb -0.04 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2wsr h LYS 52 CO -0.04 0.37 -0.86 0.93 -2.27 0.00 0.00 179.45 177.58 2wsr h GLU 53 N 0.00 0.17 0.02 1.90 4.39 -1.05 -3.39 114.58 116.61 2wsr h GLU 53 Ca -0.00 -0.18 -0.36 0.00 0.34 0.00 0.00 59.36 59.15 2wsr h GLU 53 Cb 0.66 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.31 2wsr h GLU 53 CO 0.05 0.93 -2.27 -2.13 -1.16 0.00 0.00 179.01 174.43 2wsr n ARG 54 N -3.65 0.68 -2.37 2.33 0.63 -0.62 -4.90 116.66 108.75 2wsr n ARG 54 Ca -0.03 0.13 -0.42 0.00 -0.92 0.00 0.00 57.85 56.60 2wsr n ARG 54 Cb 0.80 -1.59 -0.03 0.00 0.45 0.00 0.00 32.46 32.10 2wsr n ARG 54 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2wsr s LEU 55 N -6.13 4.31 0.00 6.15 2.96 -0.03 -4.91 118.68 121.03 2wsr s LEU 55 Ca -0.19 1.95 0.00 0.00 -0.22 0.00 0.00 54.13 55.67 2wsr s LEU 55 Cb 0.07 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.20 2wsr s LEU 55 CO 0.74 -0.61 0.00 -1.54 -1.32 0.00 0.00 176.35 173.63 2wsr n SER 56 N 5.01 0.58 -4.71 3.68 3.41 -1.26 -4.90 113.62 115.44 2wsr n SER 56 Ca 0.11 -0.24 -0.42 0.00 -0.26 0.00 0.00 58.87 58.06 2wsr n SER 56 Cb 0.45 0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 64.98 2wsr n SER 56 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2wsr s HIS 57 N -0.72 2.71 0.54 7.33 5.04 -1.26 -4.88 115.29 124.05 2wsr s HIS 57 Ca 0.00 0.24 0.42 0.00 -1.54 0.00 0.00 55.06 54.19 2wsr s HIS 57 Cb 0.00 -4.16 2.21 0.00 0.04 0.00 0.00 32.58 30.68 2wsr s HIS 57 CO 0.00 -4.48 2.29 -1.00 -2.34 0.00 0.00 174.74 169.21 2wsr h PRO 58 N 7.24 0.00 -0.58 2.88 0.13 -1.98 -2.34 132.00 137.36 2wsr h PRO 58 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2wsr h PRO 58 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2wsr h PRO 58 CO 0.96 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.36 2wsr n LYS 59 N -3.05 2.39 -4.91 0.86 5.02 -1.26 -4.91 118.16 112.29 2wsr n LYS 59 Ca -0.02 -2.09 -0.33 0.00 -2.02 0.00 0.00 58.31 53.85 2wsr n LYS 59 Cb 0.11 -1.47 -0.14 0.00 -0.02 0.00 0.00 35.03 33.52 2wsr n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2wsr s PHE 60 N -1.26 2.69 0.19 2.13 0.40 -0.88 -1.01 117.98 120.23 2wsr s PHE 60 Ca 0.39 -0.27 0.08 0.00 -0.60 0.00 0.00 56.93 56.52 2wsr s PHE 60 Cb 0.20 -1.65 -0.04 0.00 0.51 0.00 0.00 43.02 42.04 2wsr s PHE 60 CO 0.26 0.10 -0.15 0.14 0.70 0.00 0.00 175.22 176.27 2wsr s VAL 61 N -0.53 1.70 0.06 -0.44 -7.23 -0.47 -4.90 120.40 108.58 2wsr s VAL 61 Ca 0.07 -2.11 -0.13 0.00 -1.81 0.00 0.00 61.98 58.00 2wsr s VAL 61 Cb -0.12 -1.95 -0.06 0.00 0.56 0.00 0.00 36.38 34.81 2wsr s VAL 61 CO 0.01 -0.53 0.45 -0.63 -0.31 0.00 0.00 175.10 174.09 2wsr s ILE 62 N -2.74 4.99 0.13 -0.62 -1.09 -1.26 -1.27 121.20 119.35 2wsr s ILE 62 Ca 0.20 0.74 0.07 0.00 -2.23 0.00 0.00 60.65 59.42 2wsr s ILE 62 Cb -0.02 -3.71 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 2wsr s ILE 62 CO 0.06 0.41 -0.15 0.00 -1.23 0.00 0.00 174.94 174.03 2wsr s ALA 63 N -1.27 1.64 0.34 9.38 0.00 -0.08 -3.83 121.76 127.94 2wsr s ALA 63 Ca 0.30 -1.35 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 2wsr s ALA 63 Cb -0.16 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 2wsr s ALA 63 CO 0.16 0.14 0.61 0.00 0.00 0.00 0.00 175.76 176.68 2wsr s ALA 64 N -2.11 3.58 -1.42 0.00 0.00 -0.67 -3.92 121.76 117.21 2wsr s ALA 64 Ca 0.11 -0.58 0.27 0.00 0.00 0.00 0.00 51.96 51.75 2wsr s ALA 64 Cb -0.05 -2.35 0.87 0.00 0.00 0.00 0.00 23.12 21.59 2wsr s ALA 64 CO 0.04 0.07 1.64 1.04 0.00 0.00 0.00 175.76 178.56 2wsr n GLN 65 N -1.34 0.46 -3.56 0.00 6.02 -1.26 -1.14 117.38 116.56 2wsr n GLN 65 Ca -0.02 -0.22 -0.06 0.00 -0.01 0.00 0.00 57.00 56.69 2wsr n GLN 65 Cb 0.55 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.29 2wsr n GLN 65 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2wsr s ASN 66 N -2.69 -0.24 -0.30 1.08 2.20 -1.22 -4.55 114.94 109.21 2wsr s ASN 66 Ca 0.21 -0.01 -0.02 0.00 -0.94 0.00 0.00 52.86 52.09 2wsr s ASN 66 Cb 0.19 0.27 0.19 0.00 -2.00 0.00 0.00 41.25 39.90 2wsr s ASN 66 CO 0.56 -0.43 0.74 0.00 -2.94 0.00 0.00 177.10 175.03 2wsr s ALA 67 N -2.77 -2.77 -0.74 3.54 0.00 -1.26 -4.90 121.76 112.85 2wsr s ALA 67 Ca 0.08 1.44 -0.02 0.00 0.00 0.00 0.00 51.96 53.45 2wsr s ALA 67 Cb -0.01 -2.45 0.31 0.00 0.00 0.00 0.00 23.12 20.97 2wsr s ALA 67 CO -0.07 -1.64 2.16 0.41 0.00 0.00 0.00 175.76 176.63 2wsr n GLY 68 N 5.39 5.32 2.26 0.00 0.00 -1.26 -4.94 105.19 111.96 2wsr n GLY 68 Ca 0.02 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.73 2wsr n GLY 68 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wsr n ASN 69 N -0.31 0.00 0.00 1.61 5.15 -1.26 -4.89 115.26 115.56 2wsr n ASN 69 Ca 0.54 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.52 2wsr n ASN 69 Cb 0.35 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.60 2wsr n ASN 69 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wsr n ALA 70 N 0.09 0.00 0.00 5.20 0.00 -1.26 -1.98 120.51 122.56 2wsr n ALA 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wsr n ALA 70 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wsr n ALA 70 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wsr n ASP 71 N -0.39 0.00 0.17 0.00 -0.08 -1.26 -1.42 116.55 113.57 2wsr n ASP 71 Ca 0.00 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.31 2wsr n ASP 71 Cb 0.00 0.00 0.29 0.00 2.34 0.00 0.00 41.12 43.75 2wsr n ASP 71 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2wsr h GLY 72 N 0.00 0.00 0.97 0.27 0.00 -1.74 -3.22 103.07 99.35 2wsr h GLY 72 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 2wsr h GLY 72 CO 0.00 0.00 0.55 1.41 0.00 0.00 0.00 176.54 178.50 2wsr h LEU 80 N 0.00 0.94 -0.73 3.11 3.38 -0.95 -0.74 115.31 120.32 2wsr h LEU 80 Ca -0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2wsr h LEU 80 Cb 0.92 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 2wsr h LEU 80 CO 0.06 0.67 0.45 0.00 0.09 0.00 0.00 178.44 179.71 2wsr h ALA 81 N 1.32 0.92 -0.49 1.53 0.00 -1.25 -1.72 119.26 119.58 2wsr h ALA 81 Ca 0.32 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 2wsr h ALA 81 Cb -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 2wsr h ALA 81 CO -0.08 0.38 0.05 0.77 0.00 0.00 0.00 179.25 180.37 2wsr h SER 82 N 0.99 0.80 -0.50 0.00 0.02 -1.56 -1.68 113.55 111.62 2wsr h SER 82 Ca 0.26 -0.28 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 2wsr h SER 82 Cb -0.05 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 2wsr h SER 82 CO -0.05 0.88 0.04 -0.07 -1.14 0.00 0.00 176.83 176.49 2wsr h LEU 83 N 0.69 0.84 -0.42 5.07 3.38 -0.97 -2.26 115.31 121.64 2wsr h LEU 83 Ca 0.14 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.84 2wsr h LEU 83 Cb 0.44 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2wsr h LEU 83 CO 0.02 0.92 0.27 0.50 0.09 0.00 0.00 178.44 180.23 2wsr h LYS 84 N 0.73 0.53 -0.92 1.13 3.64 -1.23 -1.82 116.57 118.64 2wsr h LYS 84 Ca 0.15 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.57 2wsr h LYS 84 Cb 0.46 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.10 2wsr h LYS 84 CO 0.02 0.35 0.60 0.22 -2.27 0.00 0.00 179.45 178.37 2wsr h ASP 85 N 0.55 0.90 0.23 4.20 3.58 -1.23 -2.57 116.42 122.07 2wsr h ASP 85 Ca 0.16 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2wsr h ASP 85 Cb -0.05 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.83 2wsr h ASP 85 CO -0.04 0.56 -0.02 0.33 -2.88 0.00 0.00 179.24 177.18 2wsr n PHE 86 N -4.51 0.00 -0.41 0.28 7.35 -0.76 -4.92 117.46 114.50 2wsr n PHE 86 Ca 0.15 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.84 2wsr n PHE 86 Cb 0.23 -0.11 0.00 0.00 0.35 0.00 0.00 39.48 39.95 2wsr n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2wsr n GLY 87 N 1.15 0.78 3.66 7.13 0.00 -0.95 -5.07 105.19 111.88 2wsr n GLY 87 Ca 0.19 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2wsr n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wsr s VAL 88 N -2.00 5.18 -0.46 1.61 1.01 -0.77 -4.97 120.40 120.00 2wsr s VAL 88 Ca 0.00 0.72 0.04 0.00 0.00 0.00 0.00 61.98 62.74 2wsr s VAL 88 Cb 0.00 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.66 2wsr s VAL 88 CO 0.00 0.22 0.56 -3.20 0.00 0.00 0.00 175.10 172.68 2wsr n ASN 89 N 4.69 1.16 -4.34 3.32 5.15 -1.26 -4.07 115.26 119.91 2wsr n ASN 89 Ca -0.08 -1.08 -0.28 0.00 -0.60 0.00 0.00 54.58 52.54 2wsr n ASN 89 Cb 0.51 0.15 -0.14 0.00 -0.53 0.00 0.00 39.78 39.77 2wsr n ASN 89 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 2wsr s TRP 90 N -0.50 2.18 0.00 1.20 0.52 -1.25 -0.72 118.94 120.38 2wsr s TRP 90 Ca 0.04 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 55.77 2wsr s TRP 90 Cb 0.03 -1.25 -0.00 0.00 -1.15 0.00 0.00 33.47 31.11 2wsr s TRP 90 CO 0.07 0.20 -0.01 0.96 0.02 0.00 0.00 176.95 178.19 2wsr s ILE 91 N -0.94 0.09 -0.23 2.03 -4.36 -0.72 -1.68 121.20 115.39 2wsr s ILE 91 Ca 0.11 -0.15 -0.04 0.00 -0.26 0.00 0.00 60.65 60.31 2wsr s ILE 91 Cb -0.10 -0.10 -0.01 0.00 1.25 0.00 0.00 42.46 43.51 2wsr s ILE 91 CO 0.04 -0.04 -0.02 -0.69 0.24 0.00 0.00 174.94 174.47 2wsr s VAL 92 N -0.20 3.51 -0.40 8.37 1.01 -0.29 -1.39 120.40 131.01 2wsr s VAL 92 Ca -0.02 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 2wsr s VAL 92 Cb -0.02 -2.64 0.06 0.00 0.00 0.00 0.00 36.38 33.78 2wsr s VAL 92 CO -0.00 0.36 0.24 -0.76 0.00 0.00 0.00 175.10 174.94 2wsr s LEU 93 N 1.49 4.97 -1.42 3.92 1.43 -0.15 -3.42 118.68 125.49 2wsr s LEU 93 Ca 0.05 -1.28 -0.10 0.00 -1.03 0.00 0.00 54.13 51.77 2wsr s LEU 93 Cb -0.15 -2.01 0.06 0.00 0.03 0.00 0.00 46.19 44.13 2wsr s LEU 93 CO -0.02 -0.48 2.31 0.61 0.23 0.00 0.00 176.35 179.00 2wsr n GLY 94 N 4.96 4.63 0.22 -3.19 0.00 -1.26 -1.39 105.19 109.15 2wsr n GLY 94 Ca -0.11 -1.80 -0.14 0.00 0.00 0.00 0.00 46.02 43.97 2wsr n GLY 94 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2wsr h HIS 95 N 5.47 0.90 -0.88 1.61 6.17 -1.90 -2.76 115.15 123.76 2wsr h HIS 95 Ca 0.61 -0.37 0.05 0.00 0.71 0.00 0.00 60.37 61.36 2wsr h HIS 95 Cb 0.50 -0.15 -0.06 0.00 2.52 0.00 0.00 27.41 30.23 2wsr h HIS 95 CO 1.51 1.17 0.56 0.66 0.71 0.00 0.00 177.93 182.55 2wsr h SER 96 N 0.49 0.91 -0.04 3.26 4.64 -1.64 0.19 113.55 121.35 2wsr h SER 96 Ca -0.03 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 2wsr h SER 96 Cb 1.29 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2wsr h SER 96 CO 0.14 0.60 -0.00 -0.33 -0.87 0.00 0.00 176.83 176.37 2wsr h GLU 97 N 1.05 0.07 -0.41 4.77 5.08 -1.88 -2.18 114.58 121.07 2wsr h GLU 97 Ca 0.37 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.66 2wsr h GLU 97 Cb 0.10 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2wsr h GLU 97 CO -0.15 0.36 0.05 0.00 -1.00 0.00 0.00 179.01 178.27 2wsr h ARG 98 N -0.23 0.63 0.11 2.33 3.08 -1.16 0.43 114.38 119.56 2wsr h ARG 98 Ca 0.01 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2wsr h ARG 98 Cb 0.33 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2wsr h ARG 98 CO 0.00 0.62 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.37 2wsr h ARG 99 N 0.61 -0.14 -0.51 0.04 2.43 -1.02 -2.15 114.38 113.64 2wsr h ARG 99 Ca 0.13 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2wsr h ARG 99 Cb 0.30 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2wsr h ARG 99 CO 0.00 0.17 0.28 0.00 -1.51 0.00 0.00 179.97 178.91 2wsr h ALA 100 N 0.39 0.66 0.20 2.80 0.00 -0.97 -1.49 119.26 120.86 2wsr h ALA 100 Ca -0.02 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.47 2wsr h ALA 100 Cb 0.37 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.98 2wsr h ALA 100 CO 0.02 0.18 -1.58 1.88 0.00 0.00 0.00 179.25 179.75 2wsr h TYR 101 N 0.68 0.78 0.00 0.00 0.99 -1.01 -3.41 116.97 115.01 2wsr h TYR 101 Ca 0.18 -0.57 0.00 0.00 2.00 0.00 0.00 58.73 60.34 2wsr h TYR 101 Cb 0.05 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 37.75 2wsr h TYR 101 CO -0.02 1.61 0.00 0.66 -0.00 0.00 0.00 178.16 180.42 2wsr n TYR 102 N -3.70 0.00 -0.79 4.88 4.01 -0.84 -5.03 117.16 115.69 2wsr n TYR 102 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 2wsr n TYR 102 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 2wsr n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wsr n GLY 103 N 0.75 0.51 3.67 2.72 0.00 -0.56 -5.00 105.19 107.29 2wsr n GLY 103 Ca 0.00 -0.83 -0.47 0.00 0.00 0.00 0.00 46.02 44.73 2wsr n GLY 103 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wsr n GLU 104 N -2.79 2.18 -2.02 1.61 2.13 -1.04 -4.92 120.64 115.79 2wsr n GLU 104 Ca 0.00 0.79 -0.33 0.00 0.66 0.00 0.00 57.16 58.28 2wsr n GLU 104 Cb 0.00 -2.59 0.02 0.00 0.27 0.00 0.00 31.44 29.14 2wsr n GLU 104 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2wsr s THR 105 N 1.93 3.51 0.42 6.31 -4.23 -1.26 -4.34 115.64 117.98 2wsr s THR 105 Ca 0.83 0.76 0.10 0.00 -1.18 0.00 0.00 61.69 62.20 2wsr s THR 105 Cb -0.68 -3.27 0.21 0.00 1.34 0.00 0.00 72.50 70.11 2wsr s THR 105 CO 0.42 -0.37 2.01 0.78 -0.54 0.00 0.00 174.62 176.91 2wsr h ASN 106 N 0.51 0.24 -0.62 3.99 -0.26 -1.98 -2.88 115.58 114.58 2wsr h ASN 106 Ca -0.48 -0.03 -0.06 0.00 -0.56 0.00 0.00 56.30 55.18 2wsr h ASN 106 Cb 1.24 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 38.41 2wsr h ASN 106 CO 0.56 0.28 0.16 -0.08 -1.06 0.00 0.00 177.43 177.30 2wsr h GLU 107 N 0.26 1.01 -0.09 0.81 4.81 -1.93 -2.34 114.58 117.12 2wsr h GLU 107 Ca 0.06 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.10 2wsr h GLU 107 Cb 0.17 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 2wsr h GLU 107 CO 0.00 0.89 -0.09 0.82 -0.73 0.00 0.00 179.01 179.91 2wsr h ILE 108 N 0.97 0.75 -0.33 2.32 1.08 -1.90 -0.91 117.51 119.49 2wsr h ILE 108 Ca 0.21 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.57 2wsr h ILE 108 Cb 0.33 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 34.82 2wsr h ILE 108 CO -0.00 0.00 -0.23 1.62 -0.69 0.00 0.00 178.15 178.85 2wsr h VAL 109 N -0.11 1.27 -0.56 1.67 3.04 -1.54 -1.53 116.25 118.49 2wsr h VAL 109 Ca 0.06 -1.29 0.02 0.00 -1.01 0.00 0.00 66.70 64.48 2wsr h VAL 109 Cb 0.20 1.26 -0.03 0.00 -2.01 0.00 0.00 31.29 30.71 2wsr h VAL 109 CO -0.15 0.42 0.35 0.00 -1.01 0.00 0.00 177.57 177.18 2wsr h ALA 110 N 1.19 0.71 -0.54 3.17 0.00 -1.06 0.30 119.26 123.02 2wsr h ALA 110 Ca 0.08 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2wsr h ALA 110 Cb 0.69 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2wsr h ALA 110 CO 0.05 0.09 -0.03 -0.44 0.00 0.00 0.00 179.25 178.92 2wsr h ASP 111 N 0.70 0.94 -0.36 0.00 3.32 -0.83 -1.76 116.42 118.43 2wsr h ASP 111 Ca 0.22 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 2wsr h ASP 111 Cb -0.02 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2wsr h ASP 111 CO -0.08 1.01 0.10 0.11 -1.72 0.00 0.00 179.24 178.66 2wsr h LYS 112 N 0.87 0.57 0.06 3.56 1.57 -0.76 -0.77 116.57 121.68 2wsr h LYS 112 Ca 0.16 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2wsr h LYS 112 Cb 0.55 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2wsr h LYS 112 CO 0.03 0.60 -0.09 0.28 -0.57 0.00 0.00 179.45 179.71 2wsr h VAL 113 N 0.43 0.79 -0.70 0.50 2.07 -0.78 -0.99 116.25 117.58 2wsr h VAL 113 Ca 0.11 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.72 2wsr h VAL 113 Cb 0.28 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 2wsr h VAL 113 CO -0.00 0.00 0.35 0.00 0.02 0.00 0.00 177.57 177.94 2wsr h ALA 114 N 0.74 0.96 -0.42 1.67 0.00 -1.26 -1.24 119.26 119.70 2wsr h ALA 114 Ca 0.01 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2wsr h ALA 114 Cb 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2wsr h ALA 114 CO -0.04 -0.04 -0.20 0.00 0.00 0.00 0.00 179.25 178.96 2wsr h ALA 115 N 1.42 0.60 -0.34 0.00 0.00 -0.92 -1.51 119.26 118.50 2wsr h ALA 115 Ca 0.34 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2wsr h ALA 115 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2wsr h ALA 115 CO -0.26 0.57 0.12 0.00 0.00 0.00 0.00 179.25 179.67 2wsr h ALA 116 N 0.83 0.45 -0.97 0.00 0.00 -1.01 -2.40 119.26 116.16 2wsr h ALA 116 Ca 0.09 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2wsr h ALA 116 Cb 0.77 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2wsr h ALA 116 CO 0.06 0.08 0.64 0.28 0.00 0.00 0.00 179.25 180.31 2wsr h VAL 117 N 0.40 1.24 0.00 0.00 2.07 -1.15 -1.43 116.25 117.38 2wsr h VAL 117 Ca 0.11 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 2wsr h VAL 117 Cb 0.23 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 2wsr h VAL 117 CO -0.01 0.24 -0.24 0.00 0.02 0.00 0.00 177.57 177.58 2wsr h ALA 118 N 1.40 1.34 -0.12 1.67 0.00 -1.11 -1.60 119.26 120.83 2wsr h ALA 118 Ca 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wsr h ALA 118 Cb -0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2wsr h ALA 118 CO -0.08 0.30 0.00 0.43 0.00 0.00 0.00 179.25 179.89 2wsr n SER 119 N -3.86 1.19 0.00 0.00 7.64 -0.85 -4.94 113.62 112.79 2wsr n SER 119 Ca -0.02 -1.64 0.00 0.00 1.01 0.00 0.00 58.87 58.22 2wsr n SER 119 Cb 0.33 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 2wsr n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wsr n GLY 120 N 1.02 0.77 3.82 0.23 0.00 -0.60 -5.07 105.19 105.36 2wsr n GLY 120 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2wsr n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wsr s PHE 121 N -2.27 3.21 0.07 1.61 0.40 -0.60 -4.99 117.98 115.41 2wsr s PHE 121 Ca 0.00 1.55 -0.22 0.00 -0.60 0.00 0.00 56.93 57.66 2wsr s PHE 121 Cb 0.00 -2.92 -0.06 0.00 0.51 0.00 0.00 43.02 40.55 2wsr s PHE 121 CO 0.00 -0.54 0.67 -1.64 0.70 0.00 0.00 175.22 174.41 2wsr s MET 122 N -3.57 4.38 -0.10 0.44 -1.94 0.11 -4.34 119.30 114.29 2wsr s MET 122 Ca 0.63 0.91 0.01 0.00 -1.71 0.00 0.00 55.69 55.53 2wsr s MET 122 Cb -0.12 -3.30 0.02 0.00 2.01 0.00 0.00 34.83 33.43 2wsr s MET 122 CO 0.23 0.47 -0.13 0.08 -0.01 0.00 0.00 175.02 175.67 2wsr s VAL 123 N -0.64 1.28 -0.44 -6.03 1.01 -0.60 -1.75 120.40 113.24 2wsr s VAL 123 Ca 0.33 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.64 2wsr s VAL 123 Cb -0.20 -1.19 0.05 0.00 0.00 0.00 0.00 36.38 35.03 2wsr s VAL 123 CO 0.21 0.40 0.37 -0.63 0.00 0.00 0.00 175.10 175.44 2wsr s ILE 124 N 1.04 5.22 -0.29 2.22 1.01 -0.49 -0.85 121.20 129.07 2wsr s ILE 124 Ca -0.07 -0.81 -0.16 0.00 0.00 0.00 0.00 60.65 59.61 2wsr s ILE 124 Cb -0.15 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 2wsr s ILE 124 CO -0.01 -0.46 0.44 0.00 0.00 0.00 0.00 174.94 174.91 2wsr s ALA 125 N 1.74 3.55 -0.33 9.38 0.00 -0.36 -0.98 121.76 134.76 2wsr s ALA 125 Ca 0.05 -0.82 -0.18 0.00 0.00 0.00 0.00 51.96 51.02 2wsr s ALA 125 Cb -0.21 -2.84 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 2wsr s ALA 125 CO 0.09 -0.83 0.51 0.00 0.00 0.00 0.00 175.76 175.53 2wsr s ILE 127 N 2.38 2.30 0.00 0.00 -4.36 -0.39 -1.76 121.20 119.38 2wsr s ILE 127 Ca 0.19 -1.89 0.00 0.00 -0.26 0.00 0.00 60.65 58.69 2wsr s ILE 127 Cb -0.15 -2.06 0.00 0.00 1.25 0.00 0.00 42.46 41.50 2wsr s ILE 127 CO 0.12 -0.01 0.00 0.61 0.24 0.00 0.00 174.94 175.90 2wsr n GLY 128 N 0.61 2.24 3.96 6.27 0.00 -1.26 -0.88 105.19 116.13 2wsr n GLY 128 Ca -0.15 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 2wsr n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wsr s GLU 129 N -2.00 3.03 0.60 1.61 1.03 -1.26 -4.78 118.70 116.93 2wsr s GLU 129 Ca 0.00 -0.63 -0.06 0.00 0.03 0.00 0.00 54.97 54.31 2wsr s GLU 129 Cb 0.00 -2.61 0.01 0.00 -0.80 0.00 0.00 34.13 30.73 2wsr s GLU 129 CO 0.00 -0.24 0.91 0.95 -1.33 0.00 0.00 175.26 175.55 2wsr s THR 130 N -2.49 3.54 0.16 1.83 -4.23 -1.26 -0.98 115.64 112.21 2wsr s THR 130 Ca 0.48 -0.01 -0.16 0.00 -1.18 0.00 0.00 61.69 60.83 2wsr s THR 130 Cb -0.10 -3.42 0.06 0.00 1.34 0.00 0.00 72.50 70.38 2wsr s THR 130 CO 0.36 -0.43 1.72 0.25 -0.54 0.00 0.00 174.62 175.98 2wsr h LEU 131 N -0.22 -0.05 -0.36 4.79 5.85 -1.97 -1.51 115.31 121.84 2wsr h LEU 131 Ca -0.45 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.40 2wsr h LEU 131 Cb 1.26 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.35 2wsr h LEU 131 CO 0.61 0.01 0.02 -0.61 -0.34 0.00 0.00 178.44 178.13 2wsr h GLN 132 N 0.17 0.12 -0.75 1.25 4.15 -1.99 -1.26 115.11 116.80 2wsr h GLN 132 Ca 0.19 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 2wsr h GLN 132 Cb 0.24 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 2wsr h GLN 132 CO -0.27 0.08 0.40 0.93 -1.93 0.00 0.00 178.83 178.04 2wsr h GLU 133 N 0.12 1.05 -0.41 1.69 5.08 -1.86 -2.35 114.58 117.90 2wsr h GLU 133 Ca 0.18 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 2wsr h GLU 133 Cb 0.24 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2wsr h GLU 133 CO -0.28 0.78 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.39 2wsr h ARG 134 N 1.05 0.75 0.00 2.33 9.65 -0.72 -0.72 114.38 126.72 2wsr h ARG 134 Ca 0.27 -0.25 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 2wsr h ARG 134 Cb 0.04 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.56 2wsr h ARG 134 CO -0.04 0.84 -0.11 0.93 2.80 0.00 0.00 179.97 184.39 2wsr h GLU 135 N 0.57 0.00 -0.15 0.20 5.08 -0.99 -2.85 114.58 116.44 2wsr h GLU 135 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2wsr h GLU 135 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2wsr h GLU 135 CO 0.03 0.11 0.00 -1.13 -1.00 0.00 0.00 179.01 177.01 2wsr n SER 136 N -3.23 2.40 0.00 1.42 3.41 -0.91 -4.94 113.62 111.77 2wsr n SER 136 Ca 0.01 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 2wsr n SER 136 Cb 0.38 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2wsr n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wsr n GLY 137 N 1.29 0.50 1.43 5.00 0.00 -1.07 -4.97 105.19 107.37 2wsr n GLY 137 Ca 0.17 -0.55 0.10 0.00 0.00 0.00 0.00 46.02 45.74 2wsr n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wsr n ARG 138 N -2.87 3.37 -0.06 1.61 1.74 -0.28 -4.59 116.66 115.56 2wsr n ARG 138 Ca 0.00 -2.77 -0.07 0.00 -0.77 0.00 0.00 57.85 54.24 2wsr n ARG 138 Cb 0.00 -1.75 -0.01 0.00 -1.02 0.00 0.00 32.46 29.67 2wsr n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2wsr h THR 139 N 3.92 0.44 -0.06 0.55 2.02 -1.86 -1.72 112.91 116.19 2wsr h THR 139 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2wsr h THR 139 Cb 1.27 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 2wsr h THR 139 CO 0.15 0.00 -0.12 0.00 0.37 0.00 0.00 175.52 175.92 2wsr h ALA 140 N 0.94 -0.08 -0.46 6.16 0.00 -1.95 -0.96 119.26 122.91 2wsr h ALA 140 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2wsr h ALA 140 Cb 0.42 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2wsr h ALA 140 CO -0.39 -0.59 0.29 -0.24 0.00 0.00 0.00 179.25 178.32 2wsr h VAL 141 N -0.17 1.13 -0.15 0.00 3.04 -1.86 -0.61 116.25 117.62 2wsr h VAL 141 Ca 0.06 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 2wsr h VAL 141 Cb 0.26 0.48 -0.01 0.00 -2.01 0.00 0.00 31.29 30.01 2wsr h VAL 141 CO -0.16 0.13 0.09 0.58 -1.01 0.00 0.00 177.57 177.19 2wsr h VAL 142 N 0.62 1.02 -0.27 1.51 2.07 -1.02 -1.39 116.25 118.78 2wsr h VAL 142 Ca 0.17 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.56 2wsr h VAL 142 Cb -0.04 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2wsr h VAL 142 CO -0.03 0.03 -0.07 0.58 0.02 0.00 0.00 177.57 178.10 2wsr h VAL 143 N 0.19 1.28 -0.35 2.57 2.07 -1.10 -2.54 116.25 118.37 2wsr h VAL 143 Ca 0.06 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 2wsr h VAL 143 Cb -0.01 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 2wsr h VAL 143 CO -0.03 0.35 0.19 -0.07 0.02 0.00 0.00 177.57 178.02 2wsr h LEU 144 N 0.28 0.42 -0.62 2.57 3.38 -1.06 -2.11 115.31 118.18 2wsr h LEU 144 Ca 0.07 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2wsr h LEU 144 Cb 0.55 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2wsr h LEU 144 CO 0.03 0.35 0.19 0.74 0.09 0.00 0.00 178.44 179.83 2wsr h THR 145 N 0.48 1.25 -0.11 0.22 2.02 -0.98 -1.71 112.91 114.09 2wsr h THR 145 Ca 0.13 -0.85 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 2wsr h THR 145 Cb 0.03 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2wsr h THR 145 CO -0.02 0.32 -0.01 1.56 0.37 0.00 0.00 175.52 177.74 2wsr h GLN 146 N 0.89 0.20 -0.84 6.66 4.20 -1.05 -2.03 115.11 123.14 2wsr h GLN 146 Ca 0.20 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 2wsr h GLN 146 Cb 0.30 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.03 2wsr h GLN 146 CO -0.00 0.47 0.42 0.97 -0.67 0.00 0.00 178.83 180.02 2wsr h ILE 147 N -0.09 1.26 -0.59 2.54 6.09 -1.42 -2.52 117.51 122.78 2wsr h ILE 147 Ca 0.03 -0.69 -0.05 0.00 -1.37 0.00 0.00 64.86 62.78 2wsr h ILE 147 Cb 0.39 0.16 -0.03 0.00 0.47 0.00 0.00 36.82 37.81 2wsr h ILE 147 CO 0.01 0.30 0.17 0.00 -3.07 0.00 0.00 178.15 175.56 2wsr h ALA 148 N 1.23 1.20 -0.28 0.18 0.00 -1.22 -0.90 119.26 119.46 2wsr h ALA 148 Ca 0.29 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2wsr h ALA 148 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2wsr h ALA 148 CO -0.04 0.56 0.07 0.00 0.00 0.00 0.00 179.25 179.84 2wsr h ALA 149 N 1.32 0.37 -0.12 0.00 0.00 -1.06 -2.36 119.26 117.41 2wsr h ALA 149 Ca 0.19 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wsr h ALA 149 Cb 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2wsr h ALA 149 CO -0.01 0.04 0.02 0.82 0.00 0.00 0.00 179.25 180.12 2wsr h ILE 150 N 0.29 0.95 -0.46 0.00 2.04 -1.27 -3.04 117.51 116.01 2wsr h ILE 150 Ca 0.09 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.97 2wsr h ILE 150 Cb 0.29 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2wsr h ILE 150 CO 0.00 0.01 0.31 0.00 0.00 0.00 0.00 178.15 178.47 2wsr h ALA 151 N 1.09 1.89 -0.14 1.87 0.00 -1.02 -2.38 119.26 120.56 2wsr h ALA 151 Ca 0.05 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2wsr h ALA 151 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2wsr h ALA 151 CO -0.07 0.04 0.11 -0.22 0.00 0.00 0.00 179.25 179.10 2wsr h LYS 152 N 0.43 0.00 -0.34 0.00 3.64 -1.30 -2.08 116.57 116.91 2wsr h LYS 152 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2wsr h LYS 152 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2wsr h LYS 152 CO -0.05 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.76 2wsr n LYS 153 N -4.40 2.46 -4.31 1.90 4.76 -0.90 -4.96 118.16 112.71 2wsr n LYS 153 Ca 0.00 -2.19 -0.30 0.00 -2.87 0.00 0.00 58.31 52.95 2wsr n LYS 153 Cb 0.23 -1.51 -0.11 0.00 -1.84 0.00 0.00 35.03 31.80 2wsr n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wsr s LEU 154 N -1.55 2.77 0.33 -0.35 1.43 -0.78 -4.78 118.68 115.75 2wsr s LEU 154 Ca 0.38 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 2wsr s LEU 154 Cb 0.22 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 2wsr s LEU 154 CO 0.31 0.18 0.51 -0.54 0.23 0.00 0.00 176.35 177.05 2wsr s LYS 155 N -2.11 3.43 0.24 1.70 -0.14 -1.26 -4.99 119.74 116.60 2wsr s LYS 155 Ca 0.18 -0.48 -0.06 0.00 -1.36 0.00 0.00 55.97 54.26 2wsr s LYS 155 Cb -0.11 -2.72 0.41 0.00 -1.68 0.00 0.00 37.83 33.74 2wsr s LYS 155 CO 0.11 0.18 1.69 -0.22 -0.76 0.00 0.00 175.35 176.35 2wsr h LYS 156 N 0.83 0.25 0.00 1.68 3.64 -1.96 -0.81 116.57 120.20 2wsr h LYS 156 Ca -0.50 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 2wsr h LYS 156 Cb 1.23 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2wsr h LYS 156 CO 0.61 0.17 -0.03 0.00 -2.27 0.00 0.00 179.45 177.92 2wsr h ALA 157 N 1.58 1.09 0.00 5.00 0.00 -2.01 -2.93 119.26 121.98 2wsr h ALA 157 Ca 0.39 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 2wsr h ALA 157 Cb 0.64 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2wsr h ALA 157 CO -0.49 0.04 -0.38 -0.44 0.00 0.00 0.00 179.25 177.98 2wsr h ASP 158 N 0.00 0.00 -0.04 0.00 3.32 -1.54 -3.22 116.42 114.94 2wsr h ASP 158 Ca -0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2wsr h ASP 158 Cb 0.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 2wsr h ASP 158 CO 0.00 0.38 0.05 -0.50 -1.72 0.00 0.00 179.24 177.46 2wsr h TRP 159 N 0.00 0.00 0.00 4.55 4.06 -1.63 -1.50 115.95 121.43 2wsr h TRP 159 Ca -0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 2wsr h TRP 159 Cb 0.83 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.99 2wsr h TRP 159 CO 0.00 0.00 -0.00 0.00 -3.56 0.00 0.00 178.44 174.88 2wsr h ALA 160 N 1.93 1.24 -0.14 1.49 0.00 -1.79 -2.25 119.26 119.74 2wsr h ALA 160 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wsr h ALA 160 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2wsr h ALA 160 CO -0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 2wsr n LYS 161 N -3.43 2.16 -4.52 0.00 5.02 -0.56 -4.98 118.16 111.85 2wsr n LYS 161 Ca -0.03 -1.94 -0.34 0.00 -2.02 0.00 0.00 58.31 53.98 2wsr n LYS 161 Cb 0.08 -1.44 -0.10 0.00 -0.02 0.00 0.00 35.03 33.55 2wsr n LYS 161 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wsr s VAL 162 N -1.68 3.92 -0.02 -0.18 1.01 -0.85 -1.55 120.40 121.04 2wsr s VAL 162 Ca 0.29 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.89 2wsr s VAL 162 Cb 0.19 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 2wsr s VAL 162 CO 0.28 0.58 -0.14 -0.69 0.00 0.00 0.00 175.10 175.13 2wsr s VAL 163 N -0.86 1.13 -0.16 2.92 1.01 -0.03 -4.63 120.40 119.78 2wsr s VAL 163 Ca 0.13 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 2wsr s VAL 163 Cb -0.11 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 2wsr s VAL 163 CO 0.02 0.33 0.00 -0.51 0.00 0.00 0.00 175.10 174.94 2wsr s ILE 164 N -0.20 4.25 -0.25 2.22 1.10 -0.66 -1.22 121.20 126.43 2wsr s ILE 164 Ca 0.03 -0.23 -0.05 0.00 -0.51 0.00 0.00 60.65 59.89 2wsr s ILE 164 Cb -0.07 -2.88 0.00 0.00 0.15 0.00 0.00 42.46 39.66 2wsr s ILE 164 CO 0.00 0.49 0.01 0.00 -2.11 0.00 0.00 174.94 173.33 2wsr s ALA 165 N 0.27 2.92 -0.43 1.50 0.00 -0.31 -0.64 121.76 125.07 2wsr s ALA 165 Ca -0.00 -1.30 -0.29 0.00 0.00 0.00 0.00 51.96 50.36 2wsr s ALA 165 Cb -0.13 -1.90 0.03 0.00 0.00 0.00 0.00 23.12 21.12 2wsr s ALA 165 CO 0.02 -0.66 1.12 -0.47 0.00 0.00 0.00 175.76 175.77 2wsr s TYR 166 N 1.48 2.91 -0.49 0.00 5.04 0.22 -1.26 117.35 125.26 2wsr s TYR 166 Ca 0.04 0.85 0.04 0.00 -2.44 0.00 0.00 57.07 55.56 2wsr s TYR 166 Cb -0.16 -4.23 0.16 0.00 0.35 0.00 0.00 41.96 38.09 2wsr s TYR 166 CO -0.01 -1.14 0.36 -2.00 -1.34 0.00 0.00 175.55 171.42 2wsr s GLU 167 N 4.23 1.33 0.26 4.97 2.12 -0.06 -1.39 118.70 130.17 2wsr s GLU 167 Ca 0.47 -2.36 -0.30 0.00 0.36 0.00 0.00 54.97 53.15 2wsr s GLU 167 Cb -0.09 -2.04 -0.10 0.00 0.26 0.00 0.00 34.13 32.16 2wsr s GLU 167 CO 0.27 -1.32 1.39 -1.25 -0.54 0.00 0.00 175.26 173.82 2wsr s PRO 168 N -0.22 4.30 0.37 4.30 0.04 -1.26 -4.38 135.00 138.16 2wsr s PRO 168 Ca 0.28 2.25 0.09 0.00 0.04 0.00 0.00 61.00 63.66 2wsr s PRO 168 Cb -0.04 -3.11 0.74 0.00 0.04 0.00 0.00 34.50 32.13 2wsr s PRO 168 CO -0.15 -0.35 1.88 0.28 0.04 0.00 0.00 177.00 178.70 2wsr h VAL 169 N 3.47 1.20 0.00 -0.36 2.07 -1.37 -2.12 116.25 119.13 2wsr h VAL 169 Ca -0.46 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.16 2wsr h VAL 169 Cb 1.22 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 2wsr h VAL 169 CO 0.75 0.28 0.00 4.11 0.02 0.00 0.00 177.57 182.73 2wsr h TRP 170 N 0.21 0.00 -0.01 1.57 5.08 -1.88 -2.59 115.95 118.33 2wsr h TRP 170 Ca 0.04 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.01 2wsr h TRP 170 Cb 0.44 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.60 2wsr h TRP 170 CO 0.01 0.00 -0.39 0.00 -1.28 0.00 0.00 178.44 176.78 2wsr n ALA 171 N -1.91 3.37 -2.66 0.11 0.00 -0.80 -4.66 120.51 113.96 2wsr n ALA 171 Ca -0.01 -0.55 -0.43 0.00 0.00 0.00 0.00 53.44 52.44 2wsr n ALA 171 Cb 0.10 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.58 2wsr n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wsr s ILE 172 N -2.48 4.51 -0.14 0.00 1.01 -0.98 -1.84 121.20 121.28 2wsr s ILE 172 Ca 0.21 0.15 0.00 0.00 0.00 0.00 0.00 60.65 61.01 2wsr s ILE 172 Cb 0.19 -4.47 0.00 0.00 0.01 0.00 0.00 42.46 38.18 2wsr s ILE 172 CO 0.55 -1.01 0.00 0.61 0.00 0.00 0.00 174.94 175.09 2wsr n GLY 173 N 5.11 0.46 0.01 6.18 0.00 -1.26 -4.88 105.19 110.81 2wsr n GLY 173 Ca 0.00 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 45.96 2wsr n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wsr n THR 174 N -2.72 0.00 -0.51 2.61 -2.24 -1.26 -4.99 114.28 105.17 2wsr n THR 174 Ca -0.01 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2wsr n THR 174 Cb 0.16 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 2wsr n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wsr n GLY 175 N 1.43 1.17 3.32 3.38 0.00 -1.26 -5.00 105.19 108.24 2wsr n GLY 175 Ca -0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 2wsr n GLY 175 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wsr s LYS 176 N -0.31 4.02 0.47 1.61 2.47 -1.26 -5.02 119.74 121.72 2wsr s LYS 176 Ca 0.00 -3.06 -0.23 0.00 -1.56 0.00 0.00 55.97 51.12 2wsr s LYS 176 Cb 0.00 -4.49 -0.07 0.00 -1.46 0.00 0.00 37.83 31.81 2wsr s LYS 176 CO 0.00 -1.25 1.23 0.54 0.16 0.00 0.00 175.35 176.03 2wsr s VAL 177 N -0.96 2.81 0.45 4.02 0.11 -1.26 -4.25 120.40 121.32 2wsr s VAL 177 Ca 0.28 0.62 -0.25 0.00 -2.93 0.00 0.00 61.98 59.71 2wsr s VAL 177 Cb -0.10 -3.32 -0.08 0.00 -1.53 0.00 0.00 36.38 31.35 2wsr s VAL 177 CO -0.08 0.01 1.34 0.00 -3.33 0.00 0.00 175.10 173.03 2wsr s ALA 178 N -1.45 3.13 0.77 1.54 0.00 -1.26 -5.02 121.76 119.47 2wsr s ALA 178 Ca 0.64 1.30 -0.12 0.00 0.00 0.00 0.00 51.96 53.78 2wsr s ALA 178 Cb -0.33 -3.53 0.06 0.00 0.00 0.00 0.00 23.12 19.33 2wsr s ALA 178 CO 0.40 -1.04 1.13 0.95 0.00 0.00 0.00 175.76 177.20 2wsr s THR 179 N -1.28 2.86 0.38 0.00 -4.23 -1.26 -4.82 115.64 107.28 2wsr s THR 179 Ca 0.62 0.33 0.11 0.00 -1.18 0.00 0.00 61.69 61.57 2wsr s THR 179 Cb -0.39 -2.73 0.33 0.00 1.34 0.00 0.00 72.50 71.05 2wsr s THR 179 CO 0.49 -0.32 1.88 -0.65 -0.54 0.00 0.00 174.62 175.49 2wsr h PRO 180 N -0.88 0.59 -0.68 3.99 0.11 -1.94 -1.41 132.00 131.78 2wsr h PRO 180 Ca -0.45 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 2wsr h PRO 180 Cb 1.25 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 2wsr h PRO 180 CO 0.49 0.39 0.19 1.96 -0.21 0.00 0.00 178.00 180.82 2wsr h GLN 181 N 0.61 1.07 -0.28 1.05 7.50 -1.97 -1.35 115.11 121.74 2wsr h GLN 181 Ca 0.43 -0.24 -0.07 0.00 0.50 0.00 0.00 58.65 59.26 2wsr h GLN 181 Cb 0.77 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 28.15 2wsr h GLN 181 CO -0.18 0.94 -0.12 1.96 -1.50 0.00 0.00 178.83 179.93 2wsr h GLN 182 N 1.00 0.57 -0.21 1.46 4.20 -1.71 -1.88 115.11 118.54 2wsr h GLN 182 Ca 0.22 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2wsr h GLN 182 Cb 0.33 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 2wsr h GLN 182 CO -0.00 0.80 0.09 0.00 -0.67 0.00 0.00 178.83 179.05 2wsr h ALA 183 N 0.75 0.27 -0.73 3.87 0.00 -1.28 -2.74 119.26 119.41 2wsr h ALA 183 Ca 0.06 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2wsr h ALA 183 Cb 0.63 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2wsr h ALA 183 CO 0.04 -0.15 0.44 0.37 0.00 0.00 0.00 179.25 179.95 2wsr h GLN 184 N 0.20 0.81 -0.39 0.00 5.75 -1.23 -1.04 115.11 119.21 2wsr h GLN 184 Ca 0.07 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.56 2wsr h GLN 184 Cb 0.16 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.49 2wsr h GLN 184 CO -0.01 0.54 0.17 1.49 -2.65 0.00 0.00 178.83 178.38 2wsr h GLU 185 N 0.84 0.35 -0.20 1.69 4.81 -1.19 -0.63 114.58 120.24 2wsr h GLU 185 Ca 0.31 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.46 2wsr h GLU 185 Cb 0.09 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2wsr h GLU 185 CO -0.14 0.23 -0.10 1.79 -0.73 0.00 0.00 179.01 180.06 2wsr h THR 186 N 0.36 1.31 -0.80 0.32 1.35 -1.27 -2.25 112.91 111.93 2wsr h THR 186 Ca 0.17 -1.16 0.01 0.00 -0.55 0.00 0.00 66.41 64.88 2wsr h THR 186 Cb 0.10 1.63 -0.04 0.00 -1.73 0.00 0.00 68.15 68.12 2wsr h THR 186 CO -0.14 0.35 0.53 0.45 -0.25 0.00 0.00 175.52 176.46 2wsr h HIS 187 N 0.13 1.00 -0.74 4.73 3.86 -1.15 -1.90 115.15 121.09 2wsr h HIS 187 Ca 0.05 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.22 2wsr h HIS 187 Cb 0.59 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 2wsr h HIS 187 CO 0.06 0.63 0.24 0.00 0.86 0.00 0.00 177.93 179.72 2wsr h ALA 188 N 1.30 1.02 -0.30 2.45 0.00 -1.05 -1.83 119.26 120.84 2wsr h ALA 188 Ca 0.30 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2wsr h ALA 188 Cb -0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 2wsr h ALA 188 CO -0.07 0.66 0.07 1.25 0.00 0.00 0.00 179.25 181.17 2wsr h LEU 189 N 1.10 0.45 -0.55 0.00 5.85 -1.11 -1.32 115.31 119.73 2wsr h LEU 189 Ca 0.24 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2wsr h LEU 189 Cb 0.30 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 2wsr h LEU 189 CO -0.01 0.56 0.31 0.40 -0.34 0.00 0.00 178.44 179.37 2wsr h ILE 190 N 0.32 1.02 -0.33 4.05 2.04 -1.27 -2.27 117.51 121.07 2wsr h ILE 190 Ca 0.09 -0.21 -0.16 0.00 1.00 0.00 0.00 64.86 65.59 2wsr h ILE 190 Cb 0.29 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2wsr h ILE 190 CO 0.00 0.11 -0.41 -0.09 0.00 0.00 0.00 178.15 177.76 2wsr h ARG 191 N 0.61 0.86 -0.54 2.37 2.43 -1.14 -2.23 114.38 116.73 2wsr h ARG 191 Ca 0.23 -0.48 0.07 0.00 -0.81 0.00 0.00 59.98 58.99 2wsr h ARG 191 Cb 0.08 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.60 2wsr h ARG 191 CO -0.13 1.13 0.21 0.77 -1.51 0.00 0.00 179.97 180.44 2wsr h SER 192 N 0.65 0.24 -0.08 -3.80 0.02 -1.21 0.14 113.55 109.50 2wsr h SER 192 Ca 0.04 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2wsr h SER 192 Cb 1.01 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.57 2wsr h SER 192 CO 0.10 0.16 0.05 -0.25 -1.14 0.00 0.00 176.83 175.75 2wsr h TRP 193 N 0.41 0.10 -0.96 3.45 7.01 -1.21 -2.04 115.95 122.71 2wsr h TRP 193 Ca 0.26 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.29 2wsr h TRP 193 Cb 0.26 -0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 27.24 2wsr h TRP 193 CO -0.15 0.09 0.63 0.28 -2.79 0.00 0.00 178.44 176.49 2wsr h VAL 194 N 0.09 1.19 -0.33 2.65 2.07 -1.11 -0.54 116.25 120.27 2wsr h VAL 194 Ca 0.03 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 2wsr h VAL 194 Cb 0.01 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.61 2wsr h VAL 194 CO -0.01 0.23 0.14 -1.28 0.02 0.00 0.00 177.57 176.67 2wsr h SER 195 N 1.24 0.45 0.27 0.57 0.87 -0.69 -0.05 113.55 116.21 2wsr h SER 195 Ca 0.37 -0.15 -0.20 0.00 -1.23 0.00 0.00 61.79 60.58 2wsr h SER 195 Cb -0.04 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.80 2wsr h SER 195 CO -0.11 0.48 -0.82 -1.28 -0.53 0.00 0.00 176.83 174.57 2wsr h SER 196 N 0.39 0.53 0.29 6.23 0.87 -1.19 -3.13 113.55 117.55 2wsr h SER 196 Ca 0.11 -0.38 -0.33 0.00 -1.23 0.00 0.00 61.79 59.97 2wsr h SER 196 Cb 0.16 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 2wsr h SER 196 CO -0.01 1.15 -1.97 0.29 -0.53 0.00 0.00 176.83 175.76 2wsr n LYS 197 N -3.80 0.66 -0.04 2.24 4.76 -0.23 -4.80 118.16 116.96 2wsr n LYS 197 Ca -0.05 0.20 -0.09 0.00 -2.87 0.00 0.00 58.31 55.49 2wsr n LYS 197 Cb 0.77 -1.69 -0.03 0.00 -1.84 0.00 0.00 35.03 32.23 2wsr n LYS 197 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2wsr n ILE 198 N -3.02 0.49 0.00 -0.18 2.08 -0.10 -5.07 119.36 113.55 2wsr n ILE 198 Ca -0.25 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 62.95 2wsr n ILE 198 Cb 1.08 -1.62 0.00 0.00 -0.75 0.00 0.00 39.64 38.35 2wsr n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wsr n GLY 199 N 2.46 3.07 0.21 7.39 0.00 -0.76 -4.96 105.19 112.59 2wsr n GLY 199 Ca -0.17 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 2wsr n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsr h ALA 200 N 0.00 0.52 -0.29 4.61 0.00 -1.84 -2.16 119.26 120.10 2wsr h ALA 200 Ca 0.00 -0.56 -0.15 0.00 0.00 0.00 0.00 54.91 54.19 2wsr h ALA 200 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2wsr h ALA 200 CO 0.00 0.70 -0.43 -0.44 0.00 0.00 0.00 179.25 179.09 2wsr h ASP 201 N 0.48 0.87 -0.39 0.00 3.32 -1.96 -1.80 116.42 116.94 2wsr h ASP 201 Ca -0.02 -0.51 0.07 0.00 0.02 0.00 0.00 57.03 56.59 2wsr h ASP 201 Cb 1.25 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.49 2wsr h ASP 201 CO 0.13 1.21 0.04 0.58 -1.72 0.00 0.00 179.24 179.48 2wsr h VAL 202 N 0.56 0.75 -0.47 -1.35 2.07 -1.92 -2.31 116.25 113.58 2wsr h VAL 202 Ca 0.03 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2wsr h VAL 202 Cb 1.02 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2wsr h VAL 202 CO 0.10 0.03 0.29 0.00 0.02 0.00 0.00 177.57 178.01 2wsr h ALA 203 N 1.32 0.60 -0.10 1.67 0.00 -1.33 -2.03 119.26 119.39 2wsr h ALA 203 Ca 0.19 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2wsr h ALA 203 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2wsr h ALA 203 CO -0.28 0.07 -0.10 0.78 0.00 0.00 0.00 179.25 179.71 2wsr h GLY 204 N 0.63 0.16 1.39 0.00 0.00 -0.94 -2.94 103.07 101.36 2wsr h GLY 204 Ca 0.17 -0.09 -0.12 0.00 0.00 0.00 0.00 47.33 47.29 2wsr h GLY 204 CO -0.03 0.08 -0.98 0.83 0.00 0.00 0.00 176.54 176.44 2wsr h GLU 205 N 0.14 0.00 -6.51 4.80 4.39 -1.20 -3.41 114.58 112.79 2wsr h GLU 205 Ca 0.03 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.17 2wsr h GLU 205 Cb 0.28 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 28.98 2wsr h GLU 205 CO 0.02 0.32 0.95 -0.11 -1.16 0.00 0.00 179.01 179.02 2wsr n LEU 206 N -2.99 3.54 -4.69 1.33 7.94 -0.78 -4.77 117.00 116.57 2wsr n LEU 206 Ca -0.04 1.04 -0.41 0.00 -1.11 0.00 0.00 56.01 55.49 2wsr n LEU 206 Cb 0.75 -1.48 -0.04 0.00 0.53 0.00 0.00 43.42 43.19 2wsr n LEU 206 CO 0.41 -0.06 0.62 -0.13 -1.11 0.00 0.00 177.39 177.13 2wsr s ARG 207 N 1.74 4.42 -0.28 1.96 3.00 -1.26 -4.92 118.95 123.61 2wsr s ARG 207 Ca 0.80 1.17 0.02 0.00 0.00 0.00 0.00 55.73 57.72 2wsr s ARG 207 Cb -0.60 -3.51 0.06 0.00 0.00 0.00 0.00 34.95 30.90 2wsr s ARG 207 CO 0.38 -0.16 -0.06 0.42 0.00 0.00 0.00 175.30 175.87 2wsr s ILE 208 N 1.52 2.42 0.19 1.52 1.01 -1.26 -1.66 121.20 124.94 2wsr s ILE 208 Ca 0.44 -1.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.44 2wsr s ILE 208 Cb -0.18 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 2wsr s ILE 208 CO 0.19 -0.11 0.39 -0.76 0.00 0.00 0.00 174.94 174.65 2wsr s LEU 209 N 1.13 4.23 -0.12 2.97 1.43 0.19 -1.28 118.68 127.23 2wsr s LEU 209 Ca -0.06 0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 53.43 2wsr s LEU 209 Cb -0.20 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 2wsr s LEU 209 CO -0.04 -0.03 0.07 -0.47 0.23 0.00 0.00 176.35 176.12 2wsr s TYR 210 N -1.83 3.37 0.03 0.29 5.04 -0.31 -0.61 117.35 123.33 2wsr s TYR 210 Ca 0.39 0.33 0.01 0.00 -2.44 0.00 0.00 57.07 55.36 2wsr s TYR 210 Cb -0.11 -1.91 -0.02 0.00 0.35 0.00 0.00 41.96 40.27 2wsr s TYR 210 CO 0.28 0.54 -0.05 0.20 -1.34 0.00 0.00 175.55 175.18 2wsr s GLY 211 N -0.73 0.37 0.00 8.97 0.00 -0.48 -1.59 107.32 113.85 2wsr s GLY 211 Ca 0.12 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.16 2wsr s GLY 211 CO 0.03 -0.74 0.00 0.61 0.00 0.00 0.00 173.10 172.99 2wsr n GLY 212 N 1.51 2.35 2.34 0.20 0.00 -1.26 -4.05 105.19 106.28 2wsr n GLY 212 Ca -0.23 -0.55 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 2wsr n GLY 212 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wsr n SER 213 N 0.00 -4.82 -4.76 1.61 7.64 -0.77 -4.41 113.62 108.11 2wsr n SER 213 Ca 0.00 0.06 -0.41 0.00 1.01 0.00 0.00 58.87 59.53 2wsr n SER 213 Cb 0.00 -3.90 -0.02 0.00 -1.01 0.00 0.00 64.21 59.28 2wsr n SER 213 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2wsr s VAL 214 N -2.76 2.56 0.32 0.44 1.01 -1.26 -4.66 120.40 116.04 2wsr s VAL 214 Ca 0.00 0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.51 2wsr s VAL 214 Cb 0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 2wsr s VAL 214 CO 0.00 0.10 0.32 0.54 0.00 0.00 0.00 175.10 176.05 2wsr s ASN 215 N 0.08 1.28 0.42 3.32 2.20 -1.26 -4.54 114.94 116.44 2wsr s ASN 215 Ca 0.56 -1.63 0.09 0.00 -0.94 0.00 0.00 52.86 50.94 2wsr s ASN 215 Cb -0.42 0.57 0.89 0.00 -2.00 0.00 0.00 41.25 40.28 2wsr s ASN 215 CO 0.49 -1.10 2.01 1.23 -2.94 0.00 0.00 177.10 176.78 2wsr h GLY 216 N 2.18 0.36 1.45 0.45 0.00 -1.94 -2.76 103.07 102.83 2wsr h GLY 216 Ca -0.27 -0.17 -0.27 0.00 0.00 0.00 0.00 47.33 46.62 2wsr h GLY 216 CO 0.39 0.16 -1.14 0.50 0.00 0.00 0.00 176.54 176.45 2wsr h LYS 217 N 0.34 0.45 -0.00 4.80 1.57 -1.96 -3.37 116.57 118.40 2wsr h LYS 217 Ca 0.08 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2wsr h LYS 217 Cb 0.13 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2wsr h LYS 217 CO -0.00 1.24 -0.65 0.27 -0.57 0.00 0.00 179.45 179.73 2wsr n ASN 218 N -3.71 0.96 -0.09 0.86 0.23 -1.15 -4.52 115.26 107.85 2wsr n ASN 218 Ca -0.10 -0.78 -0.08 0.00 -0.53 0.00 0.00 54.58 53.09 2wsr n ASN 218 Cb 0.94 0.55 0.08 0.00 -2.08 0.00 0.00 39.78 39.27 2wsr n ASN 218 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wsr h ALA 219 N 3.21 0.84 -0.10 -2.53 0.00 -1.66 -3.10 119.26 115.91 2wsr h ALA 219 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2wsr h ALA 219 Cb 0.53 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2wsr h ALA 219 CO 0.00 0.64 0.04 -0.09 0.00 0.00 0.00 179.25 179.84 2wsr h ARG 220 N 0.67 0.14 -0.62 0.00 9.65 -1.83 -1.31 114.38 121.09 2wsr h ARG 220 Ca 0.09 -0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 58.85 2wsr h ARG 220 Cb 0.77 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.31 2wsr h ARG 220 CO 0.06 0.23 0.03 1.79 2.80 0.00 0.00 179.97 184.89 2wsr h THR 221 N 0.02 1.26 -0.55 0.20 1.35 -1.87 -2.45 112.91 110.86 2wsr h THR 221 Ca 0.03 -1.11 0.04 0.00 -0.55 0.00 0.00 66.41 64.83 2wsr h THR 221 Cb 0.14 0.75 -0.05 0.00 -1.73 0.00 0.00 68.15 67.26 2wsr h THR 221 CO -0.00 0.41 0.30 -0.07 -0.25 0.00 0.00 175.52 175.90 2wsr h LEU 222 N 0.98 0.44 -1.98 3.87 3.38 -1.44 -2.73 115.31 117.83 2wsr h LEU 222 Ca 0.18 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2wsr h LEU 222 Cb 0.52 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2wsr h LEU 222 CO 0.02 0.30 -0.09 0.22 0.09 0.00 0.00 178.44 178.98 2wsr h TYR 223 N 0.57 0.00 0.00 1.13 3.20 -0.82 -2.89 116.97 118.17 2wsr h TYR 223 Ca 0.24 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.11 2wsr h TYR 223 Cb 0.13 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 2wsr h TYR 223 CO -0.09 0.09 -0.00 1.96 -1.64 0.00 0.00 178.16 178.48 2wsr h GLN 224 N 0.00 0.00 -6.89 1.82 1.08 -1.12 -3.44 115.11 106.55 2wsr h GLN 224 Ca -0.00 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.70 2wsr h GLN 224 Cb 0.20 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.66 2wsr h GLN 224 CO 0.01 0.00 0.46 -0.65 -0.95 0.00 0.00 178.83 177.71 2wsr s GLN 225 N -4.07 4.33 0.42 1.46 -1.52 -1.09 -4.96 119.66 114.23 2wsr s GLN 225 Ca -0.04 1.72 0.12 0.00 -1.95 0.00 0.00 55.36 55.22 2wsr s GLN 225 Cb 0.12 -2.84 0.98 0.00 -0.22 0.00 0.00 33.01 31.06 2wsr s GLN 225 CO 0.45 -0.05 1.99 -0.09 -0.25 0.00 0.00 175.29 177.34 2wsr h ARG 226 N 3.06 0.44 -0.34 2.91 9.65 -1.91 -3.04 114.38 125.16 2wsr h ARG 226 Ca -0.48 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 2wsr h ARG 226 Cb 1.22 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 2wsr h ARG 226 CO 0.64 0.29 0.00 -0.25 2.80 0.00 0.00 179.97 183.45 2wsr n ASP 227 N -4.47 4.01 -4.66 -3.80 8.00 -1.26 -4.94 116.55 109.42 2wsr n ASP 227 Ca 0.09 -2.79 -0.36 0.00 0.71 0.00 0.00 54.79 52.44 2wsr n ASP 227 Cb 0.32 -0.51 -0.09 0.00 -0.02 0.00 0.00 41.12 40.81 2wsr n ASP 227 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wsr s VAL 228 N -2.43 5.36 -0.16 2.53 1.01 -1.15 -4.71 120.40 120.85 2wsr s VAL 228 Ca 0.41 0.19 0.14 0.00 0.00 0.00 0.00 61.98 62.72 2wsr s VAL 228 Cb 0.31 -3.50 0.27 0.00 0.00 0.00 0.00 36.38 33.46 2wsr s VAL 228 CO 0.12 0.35 1.17 0.59 0.00 0.00 0.00 175.10 177.33 2wsr n ASN 229 N 4.24 2.58 0.00 3.32 5.03 -0.40 -4.90 115.26 125.12 2wsr n ASN 229 Ca -0.15 -2.77 0.00 0.00 0.87 0.00 0.00 54.58 52.53 2wsr n ASN 229 Cb 0.52 -0.34 0.00 0.00 -1.02 0.00 0.00 39.78 38.94 2wsr n ASN 229 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wsr n GLY 230 N -0.94 0.89 2.96 7.41 0.00 -1.26 -2.20 105.19 112.05 2wsr n GLY 230 Ca 0.13 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.09 2wsr n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wsr s PHE 231 N -2.22 0.16 -0.17 1.61 0.08 -0.58 -1.17 117.98 115.69 2wsr s PHE 231 Ca 0.00 -0.32 -0.02 0.00 0.12 0.00 0.00 56.93 56.71 2wsr s PHE 231 Cb 0.00 -0.12 -0.01 0.00 -0.57 0.00 0.00 43.02 42.32 2wsr s PHE 231 CO 0.00 -0.14 -0.09 -1.17 -0.10 0.00 0.00 175.22 173.72 2wsr s LEU 232 N -1.00 2.80 -0.09 -0.37 2.96 -0.62 -1.09 118.68 121.27 2wsr s LEU 232 Ca -0.11 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 2wsr s LEU 232 Cb -0.07 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 44.97 2wsr s LEU 232 CO -0.01 0.08 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.29 2wsr s VAL 233 N 0.87 1.27 0.00 1.68 1.01 0.18 -4.03 120.40 121.38 2wsr s VAL 233 Ca -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2wsr s VAL 233 Cb -0.15 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.05 2wsr s VAL 233 CO 0.01 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.11 2wsr n GLY 234 N 4.16 0.12 0.25 4.51 0.00 -1.26 -0.66 105.19 112.31 2wsr n GLY 234 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.84 2wsr n GLY 234 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wsr h GLY 235 N 0.00 0.91 1.97 -0.02 0.00 -1.92 -1.35 103.07 102.66 2wsr h GLY 235 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2wsr h GLY 235 CO 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 176.54 176.48 2wsr n ALA 236 N -2.51 1.90 1.13 3.60 0.00 -1.26 -2.77 120.51 120.61 2wsr n ALA 236 Ca 0.10 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.61 2wsr n ALA 236 Cb 0.32 -1.32 0.61 0.00 0.00 0.00 0.00 19.45 19.06 2wsr n ALA 236 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wsr n SER 237 N -1.48 0.10 -1.07 0.00 3.41 -0.51 -3.00 113.62 111.07 2wsr n SER 237 Ca 0.05 0.18 0.07 0.00 -0.26 0.00 0.00 58.87 58.91 2wsr n SER 237 Cb 0.22 -0.33 0.23 0.00 -0.26 0.00 0.00 64.21 64.08 2wsr n SER 237 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wsr n LEU 238 N -1.40 3.10 -4.17 1.04 4.77 -1.11 -4.89 117.00 114.34 2wsr n LEU 238 Ca 0.09 -1.56 -0.14 0.00 -0.03 0.00 0.00 56.01 54.37 2wsr n LEU 238 Cb 0.31 -0.42 -0.11 0.00 -2.33 0.00 0.00 43.42 40.88 2wsr n LEU 238 CO 0.27 0.62 -0.42 -0.54 -1.33 0.00 0.00 177.39 175.99 2wsr s LYS 239 N -1.59 0.84 0.55 3.23 1.02 -1.16 -5.04 119.74 117.59 2wsr s LYS 239 Ca 0.34 -1.15 0.28 0.00 0.02 0.00 0.00 55.97 55.46 2wsr s LYS 239 Cb 0.20 -0.51 1.46 0.00 -0.52 0.00 0.00 37.83 38.46 2wsr s LYS 239 CO 0.19 0.08 1.96 -1.35 -0.92 0.00 0.00 175.35 175.31 2wsr h PRO 240 N 3.57 0.00 0.00 -1.68 0.11 -1.92 -1.69 132.00 130.39 2wsr h PRO 240 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2wsr h PRO 240 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wsr h PRO 240 CO 0.53 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.47 2wsr n GLU 241 N -4.12 0.09 -0.20 1.05 0.28 -1.26 -1.88 120.64 114.61 2wsr n GLU 241 Ca 0.10 0.56 0.19 0.00 -0.16 0.00 0.00 57.16 57.86 2wsr n GLU 241 Cb 0.66 -1.79 0.55 0.00 1.43 0.00 0.00 31.44 32.29 2wsr n GLU 241 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2wsr h PHE 242 N 0.00 0.43 -0.46 -1.84 3.57 -1.37 -0.97 116.94 116.29 2wsr h PHE 242 Ca 0.00 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 2wsr h PHE 242 Cb 0.04 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 2wsr h PHE 242 CO 0.00 0.13 0.04 0.28 -2.23 0.00 0.00 178.31 176.53 2wsr h VAL 243 N 0.34 1.23 -0.23 1.41 2.07 -1.63 -1.51 116.25 117.92 2wsr h VAL 243 Ca 0.42 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 2wsr h VAL 243 Cb 1.13 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 2wsr h VAL 243 CO -0.13 0.32 -0.10 0.44 0.02 0.00 0.00 177.57 178.12 2wsr h ASP 244 N 0.69 0.35 -0.32 0.57 3.32 -1.38 -1.48 116.42 118.17 2wsr h ASP 244 Ca 0.14 -0.08 -0.16 0.00 0.02 0.00 0.00 57.03 56.96 2wsr h ASP 244 Cb 0.37 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 2wsr h ASP 244 CO 0.01 0.49 -0.43 0.40 -1.72 0.00 0.00 179.24 177.99 2wsr h ILE 245 N 0.35 1.28 -0.35 0.35 2.04 -0.96 -1.38 117.51 118.84 2wsr h ILE 245 Ca 0.07 -1.61 0.04 0.00 1.00 0.00 0.00 64.86 64.37 2wsr h ILE 245 Cb 0.40 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 2wsr h ILE 245 CO 0.02 0.53 0.11 0.40 0.00 0.00 0.00 178.15 179.21 2wsr h ILE 246 N 0.65 0.88 0.00 -0.67 2.04 -1.07 -2.75 117.51 116.59 2wsr h ILE 246 Ca 0.04 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 2wsr h ILE 246 Cb 1.03 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2wsr h ILE 246 CO 0.10 0.05 -0.09 0.11 0.00 0.00 0.00 178.15 178.32 2wsr h LYS 247 N 0.25 0.00 0.00 2.37 1.79 -1.10 -2.63 116.57 117.25 2wsr h LYS 247 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2wsr h LYS 247 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2wsr h LYS 247 CO -0.18 0.09 0.00 0.00 -1.08 0.00 0.00 179.45 178.28 2wsr n ALA 248 N -2.17 1.62 0.20 3.86 0.00 -0.54 -3.72 120.51 119.77 2wsr n ALA 248 Ca -0.01 0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.45 2wsr n ALA 248 Cb 0.30 -1.38 0.07 0.00 0.00 0.00 0.00 19.45 18.44 2wsr n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wsr n THR 249 N -2.23 1.72 0.50 0.00 -2.24 -0.99 -4.66 114.28 106.37 2wsr n THR 249 Ca 0.02 -0.68 0.06 0.00 -2.27 0.00 0.00 64.05 61.18 2wsr n THR 249 Cb 0.22 -0.77 0.05 0.00 -2.10 0.00 0.00 70.33 67.73 2wsr n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50