#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cwm s ASP 2 N 0.00 3.79 -0.17 0.00 1.01 -1.26 -5.05 116.67 114.98 2cwm s ASP 2 Ca 0.00 1.64 -0.06 0.00 0.71 0.00 0.00 52.55 54.83 2cwm s ASP 2 Cb 0.00 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 2cwm s ASP 2 CO 0.00 -2.46 0.04 -0.89 0.21 0.00 0.00 175.17 172.06 2cwm s THR 3 N -2.90 4.56 -0.04 -1.27 2.01 -1.26 -5.02 115.64 111.71 2cwm s THR 3 Ca 0.63 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.53 2cwm s THR 3 Cb -0.18 -3.04 0.01 0.00 0.01 0.00 0.00 72.50 69.31 2cwm s THR 3 CO 0.57 0.47 -0.07 -0.63 -0.69 0.00 0.00 174.62 174.27 2cwm s ILE 4 N 0.33 0.74 -0.07 1.82 -1.09 -1.26 -3.24 121.20 118.44 2cwm s ILE 4 Ca 0.01 -0.27 0.05 0.00 -2.23 0.00 0.00 60.65 58.22 2cwm s ILE 4 Cb -0.13 -0.70 -0.01 0.00 -1.58 0.00 0.00 42.46 40.04 2cwm s ILE 4 CO 0.01 0.26 -0.24 -0.69 -1.23 0.00 0.00 174.94 173.05 2cwm s VAL 5 N 0.65 2.17 -0.05 2.92 1.01 -0.80 0.11 120.40 126.40 2cwm s VAL 5 Ca -0.10 -1.02 -0.19 0.00 0.00 0.00 0.00 61.98 60.67 2cwm s VAL 5 Cb -0.13 -1.80 0.04 0.00 0.00 0.00 0.00 36.38 34.49 2cwm s VAL 5 CO 0.01 0.57 0.43 0.00 0.00 0.00 0.00 175.10 176.11 2cwm s ALA 6 N -0.12 -1.09 -0.25 5.51 0.00 0.54 -0.11 121.76 126.25 2cwm s ALA 6 Ca -0.05 0.75 -0.07 0.00 0.00 0.00 0.00 51.96 52.60 2cwm s ALA 6 Cb -0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 2cwm s ALA 6 CO 0.04 -0.28 0.05 0.08 0.00 0.00 0.00 175.76 175.65 2cwm s VAL 7 N -1.00 4.09 -0.08 0.00 1.01 0.01 0.52 120.40 124.95 2cwm s VAL 7 Ca -0.10 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 2cwm s VAL 7 Cb -0.04 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 2cwm s VAL 7 CO 0.05 0.32 0.10 -1.83 0.00 0.00 0.00 175.10 173.74 2cwm s GLU 8 N 1.58 3.25 -0.50 2.72 -1.05 -0.04 -1.75 118.70 122.90 2cwm s GLU 8 Ca 0.06 -0.28 -0.08 0.00 -0.15 0.00 0.00 54.97 54.52 2cwm s GLU 8 Cb -0.15 -3.02 0.13 0.00 -0.44 0.00 0.00 34.13 30.65 2cwm s GLU 8 CO 0.02 0.73 0.37 -0.51 0.95 0.00 0.00 175.26 176.82 2cwm s LEU 9 N -1.18 5.67 -0.43 1.83 1.02 0.14 -1.74 118.68 123.99 2cwm s LEU 9 Ca 0.17 -2.08 -0.14 0.00 0.02 0.00 0.00 54.13 52.10 2cwm s LEU 9 Cb -0.12 -1.99 0.05 0.00 0.02 0.00 0.00 46.19 44.15 2cwm s LEU 9 CO 0.06 -0.64 0.31 -0.62 0.02 0.00 0.00 176.35 175.49 2cwm s ASP 10 N 2.34 6.01 0.16 2.29 -1.08 0.11 -1.18 116.67 125.32 2cwm s ASP 10 Ca 0.08 -1.13 0.24 0.00 -0.52 0.00 0.00 52.55 51.22 2cwm s ASP 10 Cb -0.24 -2.13 0.38 0.00 -1.46 0.00 0.00 42.92 39.47 2cwm s ASP 10 CO -0.02 -0.52 1.38 0.71 0.52 0.00 0.00 175.17 177.25 2cwm h THR 11 N 5.77 0.00 -3.21 1.71 1.35 -1.61 0.05 112.91 116.97 2cwm h THR 11 Ca -0.27 -0.58 -0.60 0.00 -0.55 0.00 0.00 66.41 64.41 2cwm h THR 11 Cb 1.11 1.24 -0.36 0.00 -1.73 0.00 0.00 68.15 68.41 2cwm h THR 11 CO 0.77 0.00 -0.82 -0.47 -0.25 0.00 0.00 175.52 174.75 2cwm s TYR 12 N -3.18 2.22 -0.23 4.73 5.04 -1.23 -4.58 117.35 120.11 2cwm s TYR 12 Ca 0.06 -1.32 -0.29 0.00 -2.44 0.00 0.00 57.07 53.08 2cwm s TYR 12 Cb 0.12 -1.60 -0.01 0.00 0.35 0.00 0.00 41.96 40.83 2cwm s TYR 12 CO 0.71 -0.69 1.37 -2.14 -1.34 0.00 0.00 175.55 173.45 2cwm s PRO 13 N 1.47 4.00 -0.80 4.97 0.02 -1.26 -4.93 135.00 138.46 2cwm s PRO 13 Ca 0.03 1.49 -0.02 0.00 0.02 0.00 0.00 61.00 62.52 2cwm s PRO 13 Cb -0.14 -3.88 0.20 0.00 0.02 0.00 0.00 34.50 30.70 2cwm s PRO 13 CO -0.10 -1.02 0.66 -0.80 -0.33 0.00 0.00 177.00 175.41 2cwm s ASN 14 N 2.85 5.73 0.10 2.53 -0.87 -1.26 -4.91 114.94 119.10 2cwm s ASN 14 Ca 0.59 -3.43 0.19 0.00 -1.57 0.00 0.00 52.86 48.64 2cwm s ASN 14 Cb -0.20 -1.89 0.78 0.00 -0.02 0.00 0.00 41.25 39.91 2cwm s ASN 14 CO 0.22 -0.25 1.58 0.35 -2.57 0.00 0.00 177.10 176.43 2cwm n THR 15 N 2.73 0.90 1.06 1.60 -2.24 -1.26 -1.65 114.28 115.41 2cwm n THR 15 Ca 0.17 0.22 0.13 0.00 -2.27 0.00 0.00 64.05 62.30 2cwm n THR 15 Cb 0.37 -1.04 0.43 0.00 -2.10 0.00 0.00 70.33 68.00 2cwm n THR 15 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2cwm n ASP 16 N -1.79 0.35 -0.71 3.42 5.75 -1.26 -3.24 116.55 119.07 2cwm n ASP 16 Ca 0.03 -0.07 0.04 0.00 -0.01 0.00 0.00 54.79 54.78 2cwm n ASP 16 Cb 0.20 -0.05 0.20 0.00 -1.03 0.00 0.00 41.12 40.45 2cwm n ASP 16 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 2cwm n ILE 17 N -1.39 2.28 -0.05 2.12 -5.35 -0.66 -4.98 119.36 111.32 2cwm n ILE 17 Ca 0.07 -2.99 0.00 0.00 -0.27 0.00 0.00 62.75 59.56 2cwm n ILE 17 Cb 0.33 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.97 2cwm n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2cwm n GLY 18 N -1.13 0.98 3.60 3.28 0.00 -1.20 -4.61 105.19 106.10 2cwm n GLY 18 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 2cwm n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cwm n ASP 19 N 0.00 1.00 -4.28 1.61 8.00 -1.05 -4.90 116.55 116.93 2cwm n ASP 19 Ca 0.00 0.98 -0.29 0.00 0.71 0.00 0.00 54.79 56.19 2cwm n ASP 19 Cb 0.00 -1.34 0.22 0.00 -0.02 0.00 0.00 41.12 39.98 2cwm n ASP 19 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2cwm s PRO 20 N -2.11 -0.65 -0.34 -0.24 0.04 -1.26 -4.34 135.00 126.09 2cwm s PRO 20 Ca 0.65 0.34 0.00 0.00 0.04 0.00 0.00 61.00 62.03 2cwm s PRO 20 Cb -0.53 -1.63 0.31 0.00 0.04 0.00 0.00 34.50 32.70 2cwm s PRO 20 CO 0.55 -3.42 1.84 -1.13 0.04 0.00 0.00 177.00 174.89 2cwm n SER 21 N -4.62 5.48 -3.80 6.66 3.41 -1.26 -4.54 113.62 114.95 2cwm n SER 21 Ca 0.08 -3.12 -0.10 0.00 -0.26 0.00 0.00 58.87 55.47 2cwm n SER 21 Cb 0.58 -0.91 -0.07 0.00 -0.26 0.00 0.00 64.21 63.55 2cwm n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2cwm s TYR 22 N -2.13 0.05 0.58 7.33 -0.85 -1.26 -4.99 117.35 116.07 2cwm s TYR 22 Ca 0.36 -0.39 -0.19 0.00 -0.52 0.00 0.00 57.07 56.33 2cwm s TYR 22 Cb 0.29 0.02 -0.05 0.00 0.38 0.00 0.00 41.96 42.60 2cwm s TYR 22 CO 0.02 -0.55 1.03 -2.30 -1.52 0.00 0.00 175.55 172.23 2cwm n PRO 23 N 0.09 1.05 -3.51 -3.49 -0.02 -1.26 -4.56 135.00 123.30 2cwm n PRO 23 Ca -0.16 0.40 -0.12 0.00 -2.02 0.00 0.00 63.50 61.60 2cwm n PRO 23 Cb 0.62 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 2cwm n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2cwm s HIS 24 N -1.46 -0.43 -0.02 6.00 -3.43 0.00 -0.81 115.29 115.14 2cwm s HIS 24 Ca 0.74 0.27 -0.02 0.00 -0.80 0.00 0.00 55.06 55.25 2cwm s HIS 24 Cb -0.43 0.43 -0.04 0.00 -1.43 0.00 0.00 32.58 31.11 2cwm s HIS 24 CO 0.48 -0.76 0.12 0.96 -2.00 0.00 0.00 174.74 173.54 2cwm s ILE 25 N -3.42 5.02 0.03 -5.38 -4.36 -0.35 0.08 121.20 112.82 2cwm s ILE 25 Ca -0.00 -0.25 -0.12 0.00 -0.26 0.00 0.00 60.65 60.02 2cwm s ILE 25 Cb -0.00 -3.29 0.01 0.00 1.25 0.00 0.00 42.46 40.43 2cwm s ILE 25 CO -0.10 0.39 0.26 -0.83 0.24 0.00 0.00 174.94 174.90 2cwm s GLY 26 N -1.67 -0.06 -0.26 6.27 0.00 -0.71 -0.50 107.32 110.38 2cwm s GLY 26 Ca 0.23 -0.04 -0.09 0.00 0.00 0.00 0.00 44.72 44.82 2cwm s GLY 26 CO 0.14 -0.23 0.11 -0.42 0.00 0.00 0.00 173.10 172.69 2cwm s ILE 27 N -2.24 4.65 -0.22 0.90 1.01 0.08 -0.86 121.20 124.52 2cwm s ILE 27 Ca -0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 2cwm s ILE 27 Cb -0.02 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 2cwm s ILE 27 CO -0.02 0.31 0.02 -1.81 0.00 0.00 0.00 174.94 173.44 2cwm s ASP 28 N 1.65 4.80 -0.33 3.58 1.01 0.19 -0.62 116.67 126.94 2cwm s ASP 28 Ca 0.07 -0.26 0.03 0.00 0.71 0.00 0.00 52.55 53.10 2cwm s ASP 28 Cb -0.15 -1.84 0.09 0.00 1.01 0.00 0.00 42.92 42.03 2cwm s ASP 28 CO 0.06 0.00 0.03 -0.63 0.21 0.00 0.00 175.17 174.85 2cwm s ILE 29 N 1.37 2.36 -2.12 0.77 -1.09 -1.26 -0.34 121.20 120.88 2cwm s ILE 29 Ca 0.05 -2.18 0.00 0.00 -2.23 0.00 0.00 60.65 56.28 2cwm s ILE 29 Cb -0.15 -2.66 0.00 0.00 -1.58 0.00 0.00 42.46 38.07 2cwm s ILE 29 CO 0.01 -0.50 0.00 0.29 -1.23 0.00 0.00 174.94 173.51 2cwm n LYS 30 N 4.32 -1.49 -3.52 2.79 5.02 0.12 -4.91 118.16 120.49 2cwm n LYS 30 Ca 0.00 1.20 -0.17 0.00 -2.02 0.00 0.00 58.31 57.32 2cwm n LYS 30 Cb 0.42 -5.60 -0.06 0.00 -0.02 0.00 0.00 35.03 29.77 2cwm n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2cwm s SER 31 N -2.74 -0.63 0.54 4.39 0.15 -1.26 -4.94 113.70 109.20 2cwm s SER 31 Ca 0.00 0.65 0.32 0.00 0.70 0.00 0.00 55.95 57.62 2cwm s SER 31 Cb 0.00 0.53 1.33 0.00 -1.71 0.00 0.00 66.02 66.17 2cwm s SER 31 CO 0.00 -0.62 1.97 1.62 1.20 0.00 0.00 173.24 177.42 2cwm h VAL 32 N 2.90 0.12 -1.88 4.45 3.04 -1.87 -3.38 116.25 119.62 2cwm h VAL 32 Ca -0.27 -0.60 -0.54 0.00 -1.01 0.00 0.00 66.70 64.29 2cwm h VAL 32 Cb 1.15 1.53 -0.08 0.00 -2.01 0.00 0.00 31.29 31.89 2cwm h VAL 32 CO 0.38 0.04 1.19 -0.13 -1.01 0.00 0.00 177.57 178.05 2cwm s ARG 33 N -3.70 3.18 0.28 4.17 0.52 -1.26 -4.93 118.95 117.21 2cwm s ARG 33 Ca 0.01 -0.37 -0.29 0.00 -0.52 0.00 0.00 55.73 54.56 2cwm s ARG 33 Cb 0.09 -4.57 -0.13 0.00 0.52 0.00 0.00 34.95 30.86 2cwm s ARG 33 CO 0.56 -2.32 1.24 0.43 0.02 0.00 0.00 175.30 175.23 2cwm n SER 34 N 9.98 2.25 0.22 0.23 7.64 -1.26 -4.79 113.62 127.88 2cwm n SER 34 Ca 0.16 1.17 0.08 0.00 1.01 0.00 0.00 58.87 61.29 2cwm n SER 34 Cb 0.50 -1.39 0.48 0.00 -1.01 0.00 0.00 64.21 62.79 2cwm n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2cwm h LYS 35 N 2.99 0.00 -2.48 1.43 1.79 -1.20 -3.44 116.57 115.67 2cwm h LYS 35 Ca -0.44 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.94 2cwm h LYS 35 Cb 1.30 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.72 2cwm h LYS 35 CO 0.67 0.27 -0.10 0.21 -1.08 0.00 0.00 179.45 179.42 2cwm s LYS 36 N -3.92 0.62 0.07 3.15 2.47 -1.23 -5.00 119.74 115.91 2cwm s LYS 36 Ca -0.01 0.69 0.01 0.00 -1.56 0.00 0.00 55.97 55.10 2cwm s LYS 36 Cb 0.12 0.30 -0.04 0.00 -1.46 0.00 0.00 37.83 36.76 2cwm s LYS 36 CO 0.65 -0.08 -0.06 0.95 0.16 0.00 0.00 175.35 176.97 2cwm s THR 37 N 0.19 0.54 0.02 3.43 -4.23 -1.26 -0.74 115.64 113.59 2cwm s THR 37 Ca -0.01 -1.61 0.02 0.00 -1.18 0.00 0.00 61.69 58.91 2cwm s THR 37 Cb -0.04 -1.27 -0.01 0.00 1.34 0.00 0.00 72.50 72.52 2cwm s THR 37 CO 0.01 -0.73 -0.06 0.00 -0.54 0.00 0.00 174.62 173.30 2cwm s ALA 38 N -2.90 0.45 0.32 3.99 0.00 0.34 -4.98 121.76 118.98 2cwm s ALA 38 Ca 0.03 -0.49 -0.29 0.00 0.00 0.00 0.00 51.96 51.21 2cwm s ALA 38 Cb 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 23.12 23.00 2cwm s ALA 38 CO -0.04 0.02 1.54 0.21 0.00 0.00 0.00 175.76 177.50 2cwm s LYS 39 N -0.88 4.13 -0.07 0.00 2.20 -1.26 -1.21 119.74 122.64 2cwm s LYS 39 Ca -0.05 2.55 0.01 0.00 -0.36 0.00 0.00 55.97 58.12 2cwm s LYS 39 Cb -0.06 -3.01 0.02 0.00 -1.51 0.00 0.00 37.83 33.27 2cwm s LYS 39 CO 0.00 -0.57 -0.09 -0.46 -0.36 0.00 0.00 175.35 173.86 2cwm s TRP 40 N -0.42 1.29 -0.70 4.03 -0.00 0.01 -4.74 118.94 118.41 2cwm s TRP 40 Ca 0.59 -0.50 -0.18 0.00 -0.00 0.00 0.00 56.10 56.01 2cwm s TRP 40 Cb -0.47 -1.01 0.13 0.00 -0.00 0.00 0.00 33.47 32.12 2cwm s TRP 40 CO 0.53 -0.30 0.81 1.21 -0.00 0.00 0.00 176.95 179.20 2cwm s ASN 41 N 0.95 6.36 -0.06 5.86 2.47 -1.26 -4.20 114.94 125.06 2cwm s ASN 41 Ca -0.10 -1.74 -0.30 0.00 0.42 0.00 0.00 52.86 51.15 2cwm s ASN 41 Cb -0.15 -2.31 -0.05 0.00 -1.45 0.00 0.00 41.25 37.29 2cwm s ASN 41 CO 0.00 -1.04 1.62 -0.32 -3.72 0.00 0.00 177.10 173.65 2cwm s MET 42 N 2.35 4.19 -0.69 0.43 -2.45 -1.26 -4.97 119.30 116.89 2cwm s MET 42 Ca 0.17 2.15 -0.18 0.00 -1.25 0.00 0.00 55.69 56.59 2cwm s MET 42 Cb -0.18 -3.96 0.13 0.00 1.25 0.00 0.00 34.83 32.07 2cwm s MET 42 CO 0.01 -0.83 0.78 -0.65 1.05 0.00 0.00 175.02 175.38 2cwm s GLN 43 N 3.97 3.25 -0.06 4.11 -0.21 -1.26 -5.02 119.66 124.44 2cwm s GLN 43 Ca 0.72 -1.63 -0.39 0.00 0.02 0.00 0.00 55.36 54.08 2cwm s GLN 43 Cb -0.33 -4.41 -0.17 0.00 1.00 0.00 0.00 33.01 29.10 2cwm s GLN 43 CO 0.28 -1.53 1.43 -1.71 -2.12 0.00 0.00 175.29 171.65 2cwm n ASN 44 N 5.88 1.62 0.00 5.90 4.05 -1.26 -1.59 115.26 129.85 2cwm n ASN 44 Ca 0.01 1.12 0.00 0.00 0.45 0.00 0.00 54.58 56.15 2cwm n ASN 44 Cb 0.44 -1.13 0.00 0.00 1.23 0.00 0.00 39.78 40.33 2cwm n ASN 44 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2cwm n GLY 45 N 2.93 0.53 3.90 8.20 0.00 0.94 -4.96 105.19 116.74 2cwm n GLY 45 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 2cwm n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cwm s LYS 46 N -0.46 3.33 -0.21 1.61 -0.14 -0.62 -4.94 119.74 118.31 2cwm s LYS 46 Ca 0.00 -0.57 -0.23 0.00 -1.36 0.00 0.00 55.97 53.81 2cwm s LYS 46 Cb 0.00 -2.94 -0.01 0.00 -1.68 0.00 0.00 37.83 33.19 2cwm s LYS 46 CO 0.00 0.56 0.76 0.08 -0.76 0.00 0.00 175.35 175.99 2cwm s VAL 47 N -1.61 4.91 0.24 3.17 1.01 -1.26 -4.13 120.40 122.73 2cwm s VAL 47 Ca 0.34 1.44 0.06 0.00 0.00 0.00 0.00 61.98 63.82 2cwm s VAL 47 Cb -0.12 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 2cwm s VAL 47 CO 0.27 0.01 0.24 -0.83 0.00 0.00 0.00 175.10 174.79 2cwm s GLY 48 N 1.27 1.38 -0.04 4.51 0.00 0.09 -4.32 107.32 110.22 2cwm s GLY 48 Ca 0.33 -1.35 0.04 0.00 0.00 0.00 0.00 44.72 43.74 2cwm s GLY 48 CO 0.10 -1.38 -0.15 -1.59 0.00 0.00 0.00 173.10 170.08 2cwm s THR 49 N -2.06 1.26 -0.12 0.90 2.01 0.67 -1.44 115.64 116.86 2cwm s THR 49 Ca 0.33 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.70 2cwm s THR 49 Cb -0.08 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.31 2cwm s THR 49 CO 0.26 0.37 -0.09 0.00 -0.69 0.00 0.00 174.62 174.47 2cwm s ALA 50 N 0.09 2.84 -0.09 7.40 0.00 0.06 -0.27 121.76 131.80 2cwm s ALA 50 Ca -0.04 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.09 2cwm s ALA 50 Cb -0.11 -1.31 -0.00 0.00 0.00 0.00 0.00 23.12 21.70 2cwm s ALA 50 CO 0.02 0.34 -0.24 -1.01 0.00 0.00 0.00 175.76 174.87 2cwm s HIS 51 N -0.01 2.53 -0.06 0.00 3.76 0.63 -1.65 115.29 120.49 2cwm s HIS 51 Ca -0.01 -0.98 0.05 0.00 -0.15 0.00 0.00 55.06 53.96 2cwm s HIS 51 Cb -0.14 -1.68 -0.00 0.00 1.11 0.00 0.00 32.58 31.87 2cwm s HIS 51 CO 0.03 -0.38 -0.20 0.42 -0.85 0.00 0.00 174.74 173.76 2cwm s ILE 52 N 0.24 1.70 -0.03 0.60 1.09 0.32 -0.63 121.20 124.49 2cwm s ILE 52 Ca -0.16 -0.85 -0.01 0.00 -1.10 0.00 0.00 60.65 58.54 2cwm s ILE 52 Cb -0.17 -1.46 0.03 0.00 -1.06 0.00 0.00 42.46 39.80 2cwm s ILE 52 CO 0.08 0.48 0.05 -0.63 -0.10 0.00 0.00 174.94 174.82 2cwm s ILE 53 N 0.11 -0.06 -0.04 2.92 1.01 -0.07 -0.99 121.20 124.08 2cwm s ILE 53 Ca -0.08 0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 2cwm s ILE 53 Cb -0.14 -0.12 0.01 0.00 0.01 0.00 0.00 42.46 42.22 2cwm s ILE 53 CO 0.04 0.09 0.11 -0.47 0.00 0.00 0.00 174.94 174.71 2cwm s TYR 54 N 1.18 -0.10 0.08 3.97 6.14 -0.12 -0.89 117.35 127.62 2cwm s TYR 54 Ca -0.08 0.24 -0.01 0.00 0.64 0.00 0.00 57.07 57.87 2cwm s TYR 54 Cb -0.13 0.03 -0.04 0.00 0.42 0.00 0.00 41.96 42.24 2cwm s TYR 54 CO -0.04 -0.08 -0.02 0.54 0.64 0.00 0.00 175.55 176.60 2cwm s ASN 55 N -0.09 0.57 0.00 4.32 2.20 -1.26 -0.90 114.94 119.78 2cwm s ASN 55 Ca -0.02 -1.04 0.25 0.00 -0.94 0.00 0.00 52.86 51.11 2cwm s ASN 55 Cb -0.02 0.20 1.23 0.00 -2.00 0.00 0.00 41.25 40.66 2cwm s ASN 55 CO 0.00 -0.60 1.83 -1.54 -2.94 0.00 0.00 177.10 173.85 2cwm n SER 56 N 0.04 0.00 -0.07 3.54 3.41 0.39 -1.11 113.62 119.82 2cwm n SER 56 Ca -0.12 0.04 -0.05 0.00 -0.26 0.00 0.00 58.87 58.48 2cwm n SER 56 Cb 0.62 -0.33 -0.02 0.00 -0.26 0.00 0.00 64.21 64.22 2cwm n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2cwm h VAL 57 N 0.00 0.07 0.00 -3.33 2.07 -1.86 -3.38 116.25 109.81 2cwm h VAL 57 Ca 0.00 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 2cwm h VAL 57 Cb 0.27 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2cwm h VAL 57 CO 0.00 0.02 -0.11 1.23 0.02 0.00 0.00 177.57 178.74 2cwm h GLY 58 N -1.00 0.00 -6.36 2.17 0.00 -1.99 -3.47 103.07 92.43 2cwm h GLY 58 Ca -0.02 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.84 2cwm h GLY 58 CO -0.01 0.00 -0.91 0.28 0.00 0.00 0.00 176.54 175.90 2cwm n LYS 59 N -3.20 -2.39 -3.67 4.80 5.02 -0.26 -4.92 118.16 113.54 2cwm n LYS 59 Ca 0.01 0.43 -0.19 0.00 -2.02 0.00 0.00 58.31 56.55 2cwm n LYS 59 Cb 0.41 -4.32 -0.17 0.00 -0.02 0.00 0.00 35.03 30.93 2cwm n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2cwm s ARG 60 N -6.29 -0.03 -0.29 1.97 3.52 -1.25 -2.03 118.95 114.55 2cwm s ARG 60 Ca 0.23 0.46 -0.18 0.00 -0.13 0.00 0.00 55.73 56.11 2cwm s ARG 60 Cb -0.09 -0.40 -0.02 0.00 -1.56 0.00 0.00 34.95 32.88 2cwm s ARG 60 CO 0.87 -0.32 0.50 -1.17 -0.81 0.00 0.00 175.30 174.38 2cwm s LEU 61 N 2.20 4.13 0.10 -0.88 2.96 -0.26 -4.23 118.68 122.70 2cwm s LEU 61 Ca 0.04 0.33 0.10 0.00 -0.22 0.00 0.00 54.13 54.38 2cwm s LEU 61 Cb -0.12 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 2cwm s LEU 61 CO -0.04 -0.34 -0.26 -0.44 -1.32 0.00 0.00 176.35 173.95 2cwm s SER 62 N 1.63 3.19 -0.02 3.68 0.01 -0.07 -0.58 113.70 121.54 2cwm s SER 62 Ca 0.20 -0.68 -0.04 0.00 1.31 0.00 0.00 55.95 56.74 2cwm s SER 62 Cb -0.16 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.84 2cwm s SER 62 CO 0.11 0.20 0.09 0.00 0.41 0.00 0.00 173.24 174.04 2cwm s ALA 63 N -0.97 -0.21 0.03 1.44 0.00 0.49 -0.89 121.76 121.66 2cwm s ALA 63 Ca 0.13 0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.17 2cwm s ALA 63 Cb -0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 2cwm s ALA 63 CO 0.04 -0.10 -0.13 0.08 0.00 0.00 0.00 175.76 175.65 2cwm s VAL 64 N -0.53 1.01 -0.05 0.00 1.01 0.20 -1.16 120.40 120.88 2cwm s VAL 64 Ca -0.06 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.05 2cwm s VAL 64 Cb -0.04 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.44 2cwm s VAL 64 CO 0.00 0.02 -0.12 -0.69 0.00 0.00 0.00 175.10 174.31 2cwm s VAL 65 N -0.77 1.09 0.09 2.92 1.01 -0.22 -0.27 120.40 124.25 2cwm s VAL 65 Ca 0.01 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 2cwm s VAL 65 Cb -0.07 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 2cwm s VAL 65 CO 0.01 0.34 0.16 -0.94 0.00 0.00 0.00 175.10 174.67 2cwm s SER 66 N 0.41 0.17 0.26 3.32 1.04 0.63 -0.99 113.70 118.54 2cwm s SER 66 Ca -0.09 -0.72 0.08 0.00 0.48 0.00 0.00 55.95 55.70 2cwm s SER 66 Cb -0.13 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 2cwm s SER 66 CO 0.02 -0.72 -0.11 -0.31 0.98 0.00 0.00 173.24 173.11 2cwm s TYR 67 N -3.88 1.98 0.45 5.02 2.02 -0.69 -0.24 117.35 122.01 2cwm s TYR 67 Ca 0.06 -0.59 0.35 0.00 -0.37 0.00 0.00 57.07 56.52 2cwm s TYR 67 Cb 0.05 -1.03 1.79 0.00 -0.40 0.00 0.00 41.96 42.37 2cwm s TYR 67 CO -0.10 0.40 2.17 -1.35 -1.57 0.00 0.00 175.55 175.10 2cwm h PRO 68 N 2.33 0.00 0.00 -1.71 0.11 -1.89 -0.30 132.00 130.54 2cwm h PRO 68 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2cwm h PRO 68 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2cwm h PRO 68 CO 0.65 0.05 0.00 0.27 -0.21 0.00 0.00 178.00 178.76 2cwm n ASN 69 N -3.36 0.00 0.00 -2.05 2.04 -1.26 -4.87 115.26 105.76 2cwm n ASN 69 Ca -0.02 -0.47 0.00 0.00 -0.44 0.00 0.00 54.58 53.65 2cwm n ASN 69 Cb 0.18 -0.12 0.00 0.00 -2.53 0.00 0.00 39.78 37.31 2cwm n ASN 69 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2cwm n GLY 70 N 0.63 1.40 3.77 4.83 0.00 -0.12 -5.06 105.19 110.65 2cwm n GLY 70 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2cwm n GLY 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cwm s ASP 71 N -1.77 6.31 -0.08 1.61 2.15 -1.26 -4.81 116.67 118.83 2cwm s ASP 71 Ca 0.00 2.86 -0.11 0.00 0.43 0.00 0.00 52.55 55.73 2cwm s ASP 71 Cb 0.00 -2.65 0.03 0.00 -0.30 0.00 0.00 42.92 39.99 2cwm s ASP 71 CO 0.00 -0.87 0.29 -0.44 -0.17 0.00 0.00 175.17 173.98 2cwm s SER 72 N -0.43 -0.25 -0.02 -0.34 0.01 -1.26 -1.70 113.70 109.70 2cwm s SER 72 Ca 0.55 0.40 0.04 0.00 1.31 0.00 0.00 55.95 58.25 2cwm s SER 72 Cb -0.43 0.50 -0.01 0.00 0.21 0.00 0.00 66.02 66.30 2cwm s SER 72 CO 0.56 -0.22 -0.14 0.00 0.41 0.00 0.00 173.24 173.85 2cwm s ALA 73 N -0.36 1.25 0.03 1.44 0.00 -0.16 -4.98 121.76 118.98 2cwm s ALA 73 Ca -0.05 -0.59 0.06 0.00 0.00 0.00 0.00 51.96 51.38 2cwm s ALA 73 Cb -0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 2cwm s ALA 73 CO 0.01 0.26 -0.18 0.99 0.00 0.00 0.00 175.76 176.85 2cwm s THR 74 N -0.11 1.44 -0.02 0.00 2.01 -1.26 -1.05 115.64 116.65 2cwm s THR 74 Ca 0.01 -1.03 -0.03 0.00 0.31 0.00 0.00 61.69 60.95 2cwm s THR 74 Cb -0.08 -1.25 0.00 0.00 0.01 0.00 0.00 72.50 71.18 2cwm s THR 74 CO 0.00 0.20 0.07 0.54 -0.69 0.00 0.00 174.62 174.74 2cwm s VAL 75 N -0.71 0.03 0.01 3.82 0.11 -0.31 -4.61 120.40 118.74 2cwm s VAL 75 Ca 0.06 -0.25 -0.00 0.00 -2.93 0.00 0.00 61.98 58.85 2cwm s VAL 75 Cb -0.08 -0.19 -0.01 0.00 -1.53 0.00 0.00 36.38 34.58 2cwm s VAL 75 CO 0.01 -0.14 -0.01 -0.44 -3.33 0.00 0.00 175.10 171.19 2cwm s SER 76 N -0.42 0.06 -0.03 3.54 0.01 -1.26 -0.37 113.70 115.23 2cwm s SER 76 Ca -0.05 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2cwm s SER 76 Cb -0.03 0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.25 2cwm s SER 76 CO 0.00 -0.08 0.01 -0.47 0.41 0.00 0.00 173.24 173.11 2cwm s TYR 77 N -0.39 0.24 -0.24 2.43 5.04 0.26 -4.97 117.35 119.71 2cwm s TYR 77 Ca -0.04 0.04 -0.25 0.00 -2.44 0.00 0.00 57.07 54.38 2cwm s TYR 77 Cb -0.03 -0.38 -0.00 0.00 0.35 0.00 0.00 41.96 41.90 2cwm s TYR 77 CO -0.00 -0.12 0.85 -0.51 -1.34 0.00 0.00 175.55 174.42 2cwm s ASP 78 N 1.09 6.85 -0.25 4.32 1.01 -1.26 -1.10 116.67 127.33 2cwm s ASP 78 Ca -0.09 1.05 -0.26 0.00 0.71 0.00 0.00 52.55 53.97 2cwm s ASP 78 Cb -0.13 -2.44 0.08 0.00 1.01 0.00 0.00 42.92 41.43 2cwm s ASP 78 CO -0.02 -0.53 0.75 0.54 0.21 0.00 0.00 175.17 176.11 2cwm s VAL 79 N 2.88 0.00 -0.54 -1.27 0.11 -0.86 -4.99 120.40 115.73 2cwm s VAL 79 Ca 0.36 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.24 2cwm s VAL 79 Cb -0.15 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.80 2cwm s VAL 79 CO 0.07 0.00 0.55 -0.62 -3.33 0.00 0.00 175.10 171.77 2cwm s ASP 80 N 0.18 6.18 0.11 3.54 -1.08 -1.26 -4.18 116.67 120.16 2cwm s ASP 80 Ca -0.01 -1.49 0.19 0.00 -0.52 0.00 0.00 52.55 50.72 2cwm s ASP 80 Cb -0.04 -2.24 0.81 0.00 -1.46 0.00 0.00 42.92 39.98 2cwm s ASP 80 CO 0.01 -0.89 1.60 0.18 0.52 0.00 0.00 175.17 176.60 2cwm n LEU 81 N 5.64 0.30 0.17 -1.34 4.77 -1.26 -1.92 117.00 123.36 2cwm n LEU 81 Ca -0.12 0.57 0.06 0.00 -0.03 0.00 0.00 56.01 56.50 2cwm n LEU 81 Cb 0.42 -0.52 0.55 0.00 -2.33 0.00 0.00 43.42 41.54 2cwm n LEU 81 CO 0.54 -0.36 1.08 0.44 -1.33 0.00 0.00 177.39 177.76 2cwm h ASP 82 N 0.00 0.15 -0.52 -1.43 5.19 -1.91 -0.03 116.42 117.87 2cwm h ASP 82 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2cwm h ASP 82 Cb 0.33 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.80 2cwm h ASP 82 CO 0.00 0.13 0.00 0.59 -3.12 0.00 0.00 179.24 176.84 2cwm n ASN 83 N -4.49 2.87 0.00 6.45 3.02 -0.81 -4.43 115.26 117.87 2cwm n ASN 83 Ca -0.01 -2.03 0.00 0.00 -0.03 0.00 0.00 54.58 52.51 2cwm n ASN 83 Cb 0.10 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 2cwm n ASN 83 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2cwm n VAL 84 N 1.01 0.00 -3.34 2.41 3.14 -0.58 -5.07 118.33 115.90 2cwm n VAL 84 Ca 0.18 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.23 2cwm n VAL 84 Cb 0.46 -0.64 -0.06 0.00 -1.06 0.00 0.00 33.84 32.55 2cwm n VAL 84 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2cwm s LEU 85 N -5.01 4.18 0.89 6.55 1.43 -0.13 -4.96 118.68 121.64 2cwm s LEU 85 Ca 0.00 1.04 -0.12 0.00 -1.03 0.00 0.00 54.13 54.02 2cwm s LEU 85 Cb 0.00 -3.68 0.13 0.00 0.03 0.00 0.00 46.19 42.67 2cwm s LEU 85 CO 0.00 -0.06 1.09 -2.16 0.23 0.00 0.00 176.35 175.45 2cwm s PRO 86 N -2.66 1.27 0.23 1.29 0.04 -1.26 -4.82 135.00 129.09 2cwm s PRO 86 Ca 0.47 0.73 -0.05 0.00 0.04 0.00 0.00 61.00 62.19 2cwm s PRO 86 Cb -0.12 -1.82 0.23 0.00 0.04 0.00 0.00 34.50 32.83 2cwm s PRO 86 CO 0.20 -2.21 1.74 1.49 0.04 0.00 0.00 177.00 178.26 2cwm h GLU 87 N -1.52 0.97 -6.08 4.56 4.81 -1.95 -3.41 114.58 111.96 2cwm h GLU 87 Ca -0.50 -0.24 -0.68 0.00 -0.13 0.00 0.00 59.36 57.81 2cwm h GLU 87 Cb 1.29 -0.12 -0.19 0.00 0.63 0.00 0.00 28.75 30.36 2cwm h GLU 87 CO 0.56 0.90 -0.69 -1.58 -0.73 0.00 0.00 179.01 177.47 2cwm s TRP 88 N -5.16 2.95 0.18 0.92 0.52 -1.26 -1.13 118.94 115.96 2cwm s TRP 88 Ca -0.11 -0.00 -0.03 0.00 0.02 0.00 0.00 56.10 55.98 2cwm s TRP 88 Cb 0.15 -1.73 -0.03 0.00 -1.15 0.00 0.00 33.47 30.70 2cwm s TRP 88 CO 0.83 0.31 0.15 0.14 0.02 0.00 0.00 176.95 178.40 2cwm s VAL 89 N -0.72 0.03 0.18 4.03 -7.23 -0.12 -4.29 120.40 112.27 2cwm s VAL 89 Ca 0.11 -1.88 0.10 0.00 -1.81 0.00 0.00 61.98 58.50 2cwm s VAL 89 Cb -0.11 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 2cwm s VAL 89 CO 0.02 -0.15 -0.15 -0.13 -0.31 0.00 0.00 175.10 174.38 2cwm s ARG 90 N -4.10 1.87 0.09 4.82 0.52 0.07 -0.16 118.95 122.06 2cwm s ARG 90 Ca 0.32 -1.35 0.10 0.00 -0.52 0.00 0.00 55.73 54.28 2cwm s ARG 90 Cb 0.06 -2.05 -0.04 0.00 0.52 0.00 0.00 34.95 33.44 2cwm s ARG 90 CO 0.08 0.43 -0.23 0.14 0.02 0.00 0.00 175.30 175.73 2cwm s VAL 91 N -1.66 2.45 0.21 3.52 -7.23 -1.26 -1.00 120.40 115.42 2cwm s VAL 91 Ca 0.23 -1.53 -0.19 0.00 -1.81 0.00 0.00 61.98 58.68 2cwm s VAL 91 Cb -0.09 -2.06 0.07 0.00 0.56 0.00 0.00 36.38 34.87 2cwm s VAL 91 CO 0.13 0.19 0.93 0.61 -0.31 0.00 0.00 175.10 176.66 2cwm n GLY 92 N 1.18 0.71 3.23 2.32 0.00 -0.33 -0.89 105.19 111.40 2cwm n GLY 92 Ca -0.17 -1.15 -0.27 0.00 0.00 0.00 0.00 46.02 44.42 2cwm n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cwm s LEU 93 N 0.00 2.06 0.06 0.99 1.43 0.46 -0.78 118.68 122.90 2cwm s LEU 93 Ca 0.20 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 2cwm s LEU 93 Cb -0.03 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 2cwm s LEU 93 CO 0.06 0.25 -0.12 -0.55 0.23 0.00 0.00 176.35 176.22 2cwm s SER 94 N -0.61 1.40 0.24 2.29 0.15 0.40 -0.86 113.70 116.71 2cwm s SER 94 Ca 0.08 -0.57 -0.16 0.00 0.70 0.00 0.00 55.95 56.00 2cwm s SER 94 Cb -0.08 -0.03 0.01 0.00 -1.71 0.00 0.00 66.02 64.21 2cwm s SER 94 CO -0.00 -0.10 0.55 0.00 1.20 0.00 0.00 173.24 174.88 2cwm s ALA 95 N -1.25 -0.71 0.20 5.45 0.00 -0.55 -0.77 121.76 124.13 2cwm s ALA 95 Ca -0.04 -0.52 -0.18 0.00 0.00 0.00 0.00 51.96 51.22 2cwm s ALA 95 Cb -0.10 0.94 0.03 0.00 0.00 0.00 0.00 23.12 23.99 2cwm s ALA 95 CO 0.02 -0.88 0.54 -1.54 0.00 0.00 0.00 175.76 173.89 2cwm s SER 96 N -2.95 -0.28 0.28 0.00 1.04 -1.10 -1.70 113.70 108.99 2cwm s SER 96 Ca 0.15 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.15 2cwm s SER 96 Cb -0.02 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 2cwm s SER 96 CO 0.05 -1.06 0.14 0.42 0.98 0.00 0.00 173.24 173.76 2cwm s THR 97 N -3.87 0.34 0.00 2.02 -4.23 -0.35 -1.41 115.64 108.15 2cwm s THR 97 Ca 0.09 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 2cwm s THR 97 Cb -0.01 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.28 2cwm s THR 97 CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 2cwm n GLY 98 N -0.50 4.12 0.23 3.99 0.00 -1.26 -0.98 105.19 110.79 2cwm n GLY 98 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2cwm n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2cwm h LEU 99 N 0.00 0.31 -9.78 0.99 4.07 -1.98 -1.81 115.31 107.11 2cwm h LEU 99 Ca 0.00 -0.08 -0.53 0.00 0.08 0.00 0.00 57.88 57.35 2cwm h LEU 99 Cb 0.00 -0.08 -0.07 0.00 1.08 0.00 0.00 40.66 41.59 2cwm h LEU 99 CO 0.00 0.52 -0.56 -0.31 -1.08 0.00 0.00 178.44 177.01 2cwm s TYR 100 N -4.59 2.84 0.18 1.13 2.02 -1.26 -5.02 117.35 112.66 2cwm s TYR 100 Ca -0.06 -0.24 -0.09 0.00 -0.37 0.00 0.00 57.07 56.31 2cwm s TYR 100 Cb 0.15 -1.44 -0.01 0.00 -0.40 0.00 0.00 41.96 40.25 2cwm s TYR 100 CO 0.76 0.46 0.31 -1.59 -1.57 0.00 0.00 175.55 173.92 2cwm s LYS 101 N -3.81 1.24 -0.06 -0.62 -2.85 -1.25 -4.29 119.74 108.10 2cwm s LYS 101 Ca 0.35 -1.23 -0.29 0.00 -1.00 0.00 0.00 55.97 53.80 2cwm s LYS 101 Cb -0.06 0.39 0.11 0.00 -2.06 0.00 0.00 37.83 36.21 2cwm s LYS 101 CO 0.23 -0.46 0.91 -1.83 0.10 0.00 0.00 175.35 174.29 2cwm s GLU 102 N -3.99 0.77 0.44 1.78 -1.05 -1.16 -3.26 118.70 112.22 2cwm s GLU 102 Ca 0.20 -0.12 -0.22 0.00 -0.15 0.00 0.00 54.97 54.68 2cwm s GLU 102 Cb 0.03 0.36 -0.09 0.00 -0.44 0.00 0.00 34.13 33.99 2cwm s GLU 102 CO 0.03 -0.30 1.05 0.95 0.95 0.00 0.00 175.26 177.94 2cwm s THR 103 N -2.33 3.70 -0.56 1.83 -4.23 -0.02 -4.76 115.64 109.27 2cwm s THR 103 Ca 0.02 1.19 0.07 0.00 -1.18 0.00 0.00 61.69 61.79 2cwm s THR 103 Cb -0.01 -3.56 0.25 0.00 1.34 0.00 0.00 72.50 70.53 2cwm s THR 103 CO -0.04 -0.10 0.69 0.59 -0.54 0.00 0.00 174.62 175.21 2cwm n ASN 104 N -0.49 2.71 -4.69 3.99 5.03 -1.26 -3.72 115.26 116.82 2cwm n ASN 104 Ca 0.07 -3.23 -0.38 0.00 0.87 0.00 0.00 54.58 51.91 2cwm n ASN 104 Cb 0.51 -0.66 -0.06 0.00 -1.02 0.00 0.00 39.78 38.54 2cwm n ASN 104 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2cwm s THR 105 N -2.15 5.16 -0.22 3.41 2.01 -1.08 -1.08 115.64 121.68 2cwm s THR 105 Ca 0.39 0.90 -0.07 0.00 0.31 0.00 0.00 61.69 63.21 2cwm s THR 105 Cb 0.16 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 2cwm s THR 105 CO -0.04 0.26 0.07 -0.63 -0.69 0.00 0.00 174.62 173.59 2cwm s ILE 106 N 1.09 4.55 -0.07 1.82 -1.09 0.21 -0.38 121.20 127.33 2cwm s ILE 106 Ca 0.24 -0.10 0.13 0.00 -2.23 0.00 0.00 60.65 58.68 2cwm s ILE 106 Cb -0.15 -3.10 -0.23 0.00 -1.58 0.00 0.00 42.46 37.40 2cwm s ILE 106 CO 0.09 0.38 0.58 0.18 -1.23 0.00 0.00 174.94 174.94 2cwm n LEU 107 N 4.38 0.81 -3.47 2.97 4.32 0.04 0.09 117.00 126.14 2cwm n LEU 107 Ca -0.16 0.36 -0.11 0.00 -0.02 0.00 0.00 56.01 56.08 2cwm n LEU 107 Cb 0.52 0.18 -0.02 0.00 -1.62 0.00 0.00 43.42 42.48 2cwm n LEU 107 CO 0.33 0.41 0.46 -0.94 -1.22 0.00 0.00 177.39 176.43 2cwm s SER 108 N -6.03 -0.50 -0.25 -1.43 1.04 -1.20 -4.35 113.70 100.97 2cwm s SER 108 Ca -0.06 -0.05 -0.15 0.00 0.48 0.00 0.00 55.95 56.18 2cwm s SER 108 Cb 0.08 0.57 0.07 0.00 0.10 0.00 0.00 66.02 66.84 2cwm s SER 108 CO 0.82 -0.93 0.62 0.86 0.98 0.00 0.00 173.24 175.59 2cwm s TRP 109 N -3.64 -0.93 0.07 5.02 -0.00 -0.49 -1.34 118.94 117.64 2cwm s TRP 109 Ca 0.03 1.90 0.04 0.00 -0.00 0.00 0.00 56.10 58.06 2cwm s TRP 109 Cb -0.01 0.52 -0.03 0.00 -0.00 0.00 0.00 33.47 33.95 2cwm s TRP 109 CO -0.11 -0.47 -0.11 -1.54 -0.00 0.00 0.00 176.95 174.72 2cwm s SER 110 N 1.50 1.35 -0.06 5.86 1.04 0.72 -1.03 113.70 123.08 2cwm s SER 110 Ca -0.09 -0.65 -0.08 0.00 0.48 0.00 0.00 55.95 55.61 2cwm s SER 110 Cb -0.06 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.07 2cwm s SER 110 CO -0.17 -0.17 0.21 0.12 0.98 0.00 0.00 173.24 174.22 2cwm s PHE 111 N -1.61 -0.19 -0.06 5.02 5.36 0.11 -1.26 117.98 125.35 2cwm s PHE 111 Ca -0.03 0.44 0.00 0.00 -0.96 0.00 0.00 56.93 56.38 2cwm s PHE 111 Cb -0.08 0.06 0.02 0.00 -0.34 0.00 0.00 43.02 42.68 2cwm s PHE 111 CO 0.01 -0.17 -0.04 0.99 -1.46 0.00 0.00 175.22 174.56 2cwm s THR 112 N -0.26 0.57 0.01 0.12 2.01 0.19 -1.33 115.64 116.96 2cwm s THR 112 Ca -0.04 -0.08 0.08 0.00 0.31 0.00 0.00 61.69 61.96 2cwm s THR 112 Cb -0.03 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 2cwm s THR 112 CO 0.01 0.26 -0.24 -0.94 -0.69 0.00 0.00 174.62 173.02 2cwm s SER 113 N 1.32 3.33 -0.00 3.53 1.04 0.23 -1.02 113.70 122.12 2cwm s SER 113 Ca -0.05 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 55.91 2cwm s SER 113 Cb -0.14 -0.42 -0.00 0.00 0.10 0.00 0.00 66.02 65.56 2cwm s SER 113 CO -0.02 0.29 -0.04 -0.54 0.98 0.00 0.00 173.24 173.91 2cwm s LYS 114 N -1.03 0.32 -0.23 4.02 1.02 -0.61 -0.97 119.74 122.26 2cwm s LYS 114 Ca 0.12 -0.13 -0.02 0.00 0.02 0.00 0.00 55.97 55.96 2cwm s LYS 114 Cb -0.10 -0.32 0.02 0.00 -0.52 0.00 0.00 37.83 36.91 2cwm s LYS 114 CO 0.01 0.08 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.94 2cwm s LEU 115 N -0.05 3.01 -0.13 3.17 1.43 0.63 -1.60 118.68 125.14 2cwm s LEU 115 Ca 0.01 -0.74 -0.01 0.00 -1.03 0.00 0.00 54.13 52.35 2cwm s LEU 115 Cb -0.02 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 2cwm s LEU 115 CO -0.00 -0.09 -0.09 -0.54 0.23 0.00 0.00 176.35 175.86 2cwm s LYS 116 N 1.35 3.41 0.43 1.70 1.02 0.35 -1.72 119.74 126.29 2cwm s LYS 116 Ca 0.02 -0.61 0.06 0.00 0.02 0.00 0.00 55.97 55.46 2cwm s LYS 116 Cb -0.16 -2.73 -0.05 0.00 -0.52 0.00 0.00 37.83 34.38 2cwm s LYS 116 CO -0.05 0.28 0.12 -1.12 -0.92 0.00 0.00 175.35 173.65 2cwm s SER 117 N 0.22 4.22 0.16 2.83 0.01 -1.01 -0.17 113.70 119.97 2cwm s SER 117 Ca -0.06 -1.25 0.12 0.00 1.31 0.00 0.00 55.95 56.07 2cwm s SER 117 Cb -0.15 -0.28 0.54 0.00 0.21 0.00 0.00 66.02 66.34 2cwm s SER 117 CO 0.04 -0.59 0.55 -0.46 0.41 0.00 0.00 173.24 173.20 2cwm n ASN 118 N -1.19 0.07 -0.53 2.44 2.04 -1.25 -4.47 115.26 112.37 2cwm n ASN 118 Ca -0.04 0.48 0.00 0.00 -0.44 0.00 0.00 54.58 54.57 2cwm n ASN 118 Cb 0.66 -0.23 0.00 0.00 -2.53 0.00 0.00 39.78 37.67 2cwm n ASN 118 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 2cwm n SER 119 N -3.28 0.00 -3.09 0.53 3.41 -1.26 -5.08 113.62 104.85 2cwm n SER 119 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2cwm n SER 119 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 2cwm n SER 119 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2cwm n THR 120 N 0.00 0.00 -0.68 6.66 -1.04 -1.26 -4.65 114.28 113.31 2cwm n THR 120 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 2cwm n THR 120 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 2cwm n THR 120 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cwm n HIS 121 N -1.16 0.12 -3.98 -1.42 1.44 -1.26 -4.61 115.22 104.35 2cwm n HIS 121 Ca 0.00 -1.09 -0.30 0.00 -2.01 0.00 0.00 57.72 54.32 2cwm n HIS 121 Cb 0.00 -1.25 -0.05 0.00 0.12 0.00 0.00 29.99 28.81 2cwm n HIS 121 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 2cwm s GLU 122 N 1.77 3.19 -0.28 -1.40 4.04 -1.26 -5.06 118.70 119.70 2cwm s GLU 122 Ca 0.45 -0.58 -0.25 0.00 0.04 0.00 0.00 54.97 54.63 2cwm s GLU 122 Cb 0.21 -2.89 0.13 0.00 0.02 0.00 0.00 34.13 31.60 2cwm s GLU 122 CO -0.00 0.58 1.09 0.99 -1.84 0.00 0.00 175.26 176.07 2cwm s THR 123 N -1.50 0.00 -0.03 1.83 2.01 -1.26 -2.40 115.64 114.30 2cwm s THR 123 Ca 0.32 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.26 2cwm s THR 123 Cb -0.12 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 2cwm s THR 123 CO 0.25 0.00 0.23 0.20 -0.69 0.00 0.00 174.62 174.62 2cwm s ASN 124 N 0.17 6.47 0.01 3.53 0.01 -0.70 -4.98 114.94 119.46 2cwm s ASN 124 Ca 0.04 0.53 -0.15 0.00 -0.71 0.00 0.00 52.86 52.57 2cwm s ASN 124 Cb -0.05 -2.08 0.02 0.00 0.41 0.00 0.00 41.25 39.55 2cwm s ASN 124 CO -0.07 0.30 0.32 0.00 -1.51 0.00 0.00 177.10 176.13 2cwm s ALA 125 N -1.22 -0.77 -0.05 0.60 0.00 -1.26 -0.27 121.76 118.80 2cwm s ALA 125 Ca 0.24 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.42 2cwm s ALA 125 Cb -0.13 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.19 2cwm s ALA 125 CO 0.13 -0.33 -0.05 -1.17 0.00 0.00 0.00 175.76 174.34 2cwm s LEU 126 N -1.64 1.32 -0.03 0.00 2.96 -0.14 -5.00 118.68 116.15 2cwm s LEU 126 Ca -0.10 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 2cwm s LEU 126 Cb -0.03 -0.52 0.02 0.00 0.50 0.00 0.00 46.19 46.16 2cwm s LEU 126 CO 0.01 -0.05 -0.04 -2.28 -1.32 0.00 0.00 176.35 172.67 2cwm s HIS 127 N 0.98 0.63 0.05 5.38 5.65 -1.26 -0.60 115.29 126.11 2cwm s HIS 127 Ca -0.10 -0.14 0.03 0.00 0.25 0.00 0.00 55.06 55.10 2cwm s HIS 127 Cb -0.14 -0.54 -0.02 0.00 -1.18 0.00 0.00 32.58 30.69 2cwm s HIS 127 CO -0.00 -0.13 -0.10 -0.59 -0.65 0.00 0.00 174.74 173.27 2cwm s PHE 128 N 0.66 0.87 -0.12 3.88 -0.12 -0.45 -4.99 117.98 117.72 2cwm s PHE 128 Ca -0.08 -0.45 -0.09 0.00 -0.05 0.00 0.00 56.93 56.25 2cwm s PHE 128 Cb -0.12 -0.51 0.04 0.00 -0.63 0.00 0.00 43.02 41.80 2cwm s PHE 128 CO -0.00 -0.03 0.30 0.54 -0.05 0.00 0.00 175.22 175.98 2cwm s VAL 129 N -1.23 -0.01 -0.29 -2.49 0.11 -1.26 -0.71 120.40 114.52 2cwm s VAL 129 Ca -0.06 0.04 -0.01 0.00 -2.93 0.00 0.00 61.98 59.02 2cwm s VAL 129 Cb -0.09 -0.44 0.05 0.00 -1.53 0.00 0.00 36.38 34.37 2cwm s VAL 129 CO 0.01 0.02 -0.02 -0.36 -3.33 0.00 0.00 175.10 171.42 2cwm s PHE 130 N 0.51 3.25 -0.74 1.54 0.08 -0.19 -4.94 117.98 117.48 2cwm s PHE 130 Ca -0.03 -1.90 0.19 0.00 0.12 0.00 0.00 56.93 55.31 2cwm s PHE 130 Cb -0.04 -2.08 -0.22 0.00 -0.57 0.00 0.00 43.02 40.11 2cwm s PHE 130 CO -0.03 -0.81 0.73 0.09 -0.10 0.00 0.00 175.22 175.10 2cwm n ASN 131 N 4.60 0.83 -3.76 1.36 3.02 -1.26 -1.39 115.26 118.66 2cwm n ASN 131 Ca -0.14 -0.78 -0.14 0.00 -0.03 0.00 0.00 54.58 53.49 2cwm n ASN 131 Cb 0.43 1.15 -0.15 0.00 -0.61 0.00 0.00 39.78 40.60 2cwm n ASN 131 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2cwm s GLN 132 N -2.85 0.06 0.12 3.52 -1.52 -1.26 -4.66 119.66 113.07 2cwm s GLN 132 Ca 0.05 0.31 -0.09 0.00 -1.95 0.00 0.00 55.36 53.68 2cwm s GLN 132 Cb 0.14 -0.19 -0.06 0.00 -0.22 0.00 0.00 33.01 32.68 2cwm s GLN 132 CO 0.77 -0.16 0.42 -0.06 -0.25 0.00 0.00 175.29 176.01 2cwm s PHE 133 N 1.09 3.53 0.25 0.91 0.40 0.13 -4.99 117.98 119.30 2cwm s PHE 133 Ca -0.09 0.75 0.02 0.00 -0.60 0.00 0.00 56.93 57.01 2cwm s PHE 133 Cb -0.11 -2.14 -0.03 0.00 0.51 0.00 0.00 43.02 41.24 2cwm s PHE 133 CO -0.05 0.46 0.41 -1.12 0.70 0.00 0.00 175.22 175.61 2cwm s SER 134 N -2.03 6.33 0.20 1.36 0.01 -1.26 -3.85 113.70 114.45 2cwm s SER 134 Ca 0.37 0.25 -0.11 0.00 1.31 0.00 0.00 55.95 57.78 2cwm s SER 134 Cb -0.13 -1.94 0.20 0.00 0.21 0.00 0.00 66.02 64.36 2cwm s SER 134 CO 0.20 -0.11 1.80 0.50 0.41 0.00 0.00 173.24 176.04 2cwm h LYS 135 N 1.33 0.58 -3.37 12.44 3.11 -1.90 -3.15 116.57 125.61 2cwm h LYS 135 Ca -0.50 -0.04 -0.65 0.00 -2.81 0.00 0.00 60.65 56.65 2cwm h LYS 135 Cb 1.22 -0.13 -0.40 0.00 -1.00 0.00 0.00 32.23 31.92 2cwm h LYS 135 CO 0.63 0.39 -0.54 0.34 -2.81 0.00 0.00 179.45 177.46 2cwm s ASP 136 N -5.55 4.65 -0.85 4.20 2.15 -1.26 -4.67 116.67 115.34 2cwm s ASP 136 Ca -0.13 -3.14 -0.19 0.00 0.43 0.00 0.00 52.55 49.52 2cwm s ASP 136 Cb 0.15 -1.70 0.12 0.00 -0.30 0.00 0.00 42.92 41.20 2cwm s ASP 136 CO 0.75 -0.24 1.05 -1.58 -0.17 0.00 0.00 175.17 174.98 2cwm s GLN 137 N -0.47 3.48 0.55 4.34 2.00 -1.19 -4.86 119.66 123.51 2cwm s GLN 137 Ca 0.19 -1.62 0.33 0.00 -2.00 0.00 0.00 55.36 52.25 2cwm s GLN 137 Cb -0.21 -4.73 1.52 0.00 0.80 0.00 0.00 33.01 30.39 2cwm s GLN 137 CO -0.04 -1.73 2.06 0.87 -0.50 0.00 0.00 175.29 175.95 2cwm h LYS 138 N 8.92 0.00 -0.60 1.67 1.57 -1.96 -1.60 116.57 124.56 2cwm h LYS 138 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2cwm h LYS 138 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2cwm h LYS 138 CO 1.10 0.07 0.00 -0.40 -0.57 0.00 0.00 179.45 179.65 2cwm n ASP 139 N -3.29 3.41 -4.26 0.86 5.68 -1.26 -4.81 116.55 112.88 2cwm n ASP 139 Ca -0.01 -2.29 -0.32 0.00 -0.50 0.00 0.00 54.79 51.68 2cwm n ASP 139 Cb 0.26 -0.47 -0.17 0.00 -1.14 0.00 0.00 41.12 39.61 2cwm n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2cwm s LEU 140 N -1.40 2.07 -0.47 -2.12 1.43 -0.60 -1.22 118.68 116.37 2cwm s LEU 140 Ca 0.35 -0.52 -0.21 0.00 -1.03 0.00 0.00 54.13 52.73 2cwm s LEU 140 Cb 0.23 -1.38 0.03 0.00 0.03 0.00 0.00 46.19 45.10 2cwm s LEU 140 CO 0.17 0.23 0.69 -0.63 0.23 0.00 0.00 176.35 177.05 2cwm s ILE 141 N -0.10 4.77 -0.10 -0.59 1.01 0.13 -4.87 121.20 121.43 2cwm s ILE 141 Ca -0.05 0.03 -0.22 0.00 0.00 0.00 0.00 60.65 60.41 2cwm s ILE 141 Cb -0.14 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 2cwm s ILE 141 CO 0.04 -0.71 0.63 -0.76 0.00 0.00 0.00 174.94 174.14 2cwm s LEU 142 N 2.96 4.28 0.16 2.97 1.43 -1.26 -1.35 118.68 127.86 2cwm s LEU 142 Ca 0.23 1.03 0.11 0.00 -1.03 0.00 0.00 54.13 54.47 2cwm s LEU 142 Cb -0.15 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.08 2cwm s LEU 142 CO 0.18 -0.11 -0.24 -1.10 0.23 0.00 0.00 176.35 175.31 2cwm s GLN 143 N 0.94 1.42 7.42 1.70 -0.21 0.04 -4.97 119.66 125.99 2cwm s GLN 143 Ca 0.33 -1.43 0.00 0.00 0.02 0.00 0.00 55.36 54.28 2cwm s GLN 143 Cb -0.17 -1.74 0.00 0.00 1.00 0.00 0.00 33.01 32.10 2cwm s GLN 143 CO 0.15 0.39 0.00 0.41 -2.12 0.00 0.00 175.29 174.11 2cwm n GLY 144 N 0.51 3.02 0.51 3.09 0.00 -1.26 -1.38 105.19 109.67 2cwm n GLY 144 Ca -0.15 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 45.77 2cwm n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cwm n ASP 145 N 4.82 1.56 -4.74 1.61 10.43 0.69 -4.93 116.55 126.00 2cwm n ASP 145 Ca 0.00 -1.59 -0.42 0.00 2.57 0.00 0.00 54.79 55.36 2cwm n ASP 145 Cb 0.00 -0.05 -0.02 0.00 1.84 0.00 0.00 41.12 42.89 2cwm n ASP 145 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2cwm s ALA 146 N -1.91 3.71 0.07 2.24 0.00 -1.04 -4.35 121.76 120.48 2cwm s ALA 146 Ca 0.36 1.43 0.01 0.00 0.00 0.00 0.00 51.96 53.76 2cwm s ALA 146 Cb 0.19 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 2cwm s ALA 146 CO 0.30 -0.84 -0.06 0.95 0.00 0.00 0.00 175.76 176.11 2cwm s THR 147 N 0.26 0.54 0.31 0.00 -4.23 -0.71 -4.70 115.64 107.11 2cwm s THR 147 Ca 0.63 -1.53 0.09 0.00 -1.18 0.00 0.00 61.69 59.70 2cwm s THR 147 Cb -0.45 -1.16 -0.04 0.00 1.34 0.00 0.00 72.50 72.19 2cwm s THR 147 CO 0.42 -0.68 0.11 0.42 -0.54 0.00 0.00 174.62 174.35 2cwm s THR 148 N -2.67 3.28 0.00 3.99 -4.23 -1.26 -1.05 115.64 113.69 2cwm s THR 148 Ca 0.01 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 2cwm s THR 148 Cb -0.01 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.85 2cwm s THR 148 CO -0.03 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 2cwm n GLY 149 N -1.08 4.22 3.08 3.99 0.00 -1.10 -4.71 105.19 109.60 2cwm n GLY 149 Ca -0.04 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.42 2cwm n GLY 149 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cwm n THR 150 N -1.80 0.00 1.47 2.61 -2.24 -1.26 -4.30 114.28 108.76 2cwm n THR 150 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 2cwm n THR 150 Cb 0.00 0.00 0.50 0.00 -2.10 0.00 0.00 70.33 68.73 2cwm n THR 150 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2cwm n ASP 151 N 0.00 1.56 0.00 3.42 5.68 -1.26 -4.92 116.55 121.03 2cwm n ASP 151 Ca 0.00 -1.53 0.00 0.00 -0.50 0.00 0.00 54.79 52.76 2cwm n ASP 151 Cb 0.00 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 2cwm n ASP 151 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2cwm n GLY 152 N 1.18 0.64 3.72 6.12 0.00 -1.25 -4.95 105.19 110.65 2cwm n GLY 152 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 2cwm n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cwm s ASN 153 N -2.18 4.88 -0.29 1.61 0.01 -1.26 0.21 114.94 117.92 2cwm s ASN 153 Ca 0.00 -0.54 -0.08 0.00 -0.71 0.00 0.00 52.86 51.53 2cwm s ASN 153 Cb 0.00 -1.00 -0.00 0.00 0.41 0.00 0.00 41.25 40.66 2cwm s ASN 153 CO 0.00 -0.06 0.10 -0.22 -1.51 0.00 0.00 177.10 175.41 2cwm s LEU 154 N -3.76 3.84 -0.55 0.60 2.96 0.11 -2.71 118.68 119.18 2cwm s LEU 154 Ca 0.33 -0.53 -0.21 0.00 -0.22 0.00 0.00 54.13 53.50 2cwm s LEU 154 Cb -0.06 -1.93 0.06 0.00 0.50 0.00 0.00 46.19 44.76 2cwm s LEU 154 CO 0.22 -0.16 0.77 -1.61 -1.32 0.00 0.00 176.35 174.25 2cwm s GLU 155 N 1.56 3.17 0.24 1.98 0.41 -0.21 0.65 118.70 126.49 2cwm s GLU 155 Ca 0.04 -0.76 -0.02 0.00 -0.41 0.00 0.00 54.97 53.82 2cwm s GLU 155 Cb -0.17 -4.12 0.26 0.00 -1.78 0.00 0.00 34.13 28.32 2cwm s GLU 155 CO 0.04 -1.42 1.65 -0.07 -0.49 0.00 0.00 175.26 174.98 2cwm h LEU 156 N 10.31 0.67 -9.37 1.80 3.38 -1.37 -1.89 115.31 118.83 2cwm h LEU 156 Ca -0.28 -0.24 -0.60 0.00 0.09 0.00 0.00 57.88 56.86 2cwm h LEU 156 Cb 1.08 -0.18 -0.14 0.00 0.09 0.00 0.00 40.66 41.52 2cwm h LEU 156 CO 1.05 0.90 -0.68 0.42 0.09 0.00 0.00 178.44 180.21 2cwm s THR 157 N -4.53 2.14 0.34 0.22 -4.23 -1.26 -2.50 115.64 105.82 2cwm s THR 157 Ca -0.08 -2.20 -0.29 0.00 -1.18 0.00 0.00 61.69 57.94 2cwm s THR 157 Cb 0.13 -2.60 -0.11 0.00 1.34 0.00 0.00 72.50 71.26 2cwm s THR 157 CO 0.82 -0.22 1.37 -0.60 -0.54 0.00 0.00 174.62 175.45 2cwm s ARG 158 N -3.63 4.27 -0.05 3.99 6.06 -1.26 -4.76 118.95 123.57 2cwm s ARG 158 Ca 0.32 2.34 0.02 0.00 -2.50 0.00 0.00 55.73 55.91 2cwm s ARG 158 Cb 0.02 -3.04 0.01 0.00 0.06 0.00 0.00 34.95 32.01 2cwm s ARG 158 CO 0.16 -0.31 -0.10 0.08 -2.50 0.00 0.00 175.30 172.62 2cwm s VAL 159 N -1.07 0.95 0.82 7.11 1.01 -1.26 -1.26 120.40 126.69 2cwm s VAL 159 Ca 0.51 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 2cwm s VAL 159 Cb -0.42 -0.88 0.09 0.00 0.00 0.00 0.00 36.38 35.16 2cwm s VAL 159 CO 0.56 0.31 1.15 -0.94 0.00 0.00 0.00 175.10 176.18 2cwm s SER 160 N 0.65 4.38 0.30 3.32 1.04 0.29 -4.87 113.70 118.81 2cwm s SER 160 Ca -0.12 0.91 0.05 0.00 0.48 0.00 0.00 55.95 57.26 2cwm s SER 160 Cb -0.15 -1.48 0.71 0.00 0.10 0.00 0.00 66.02 65.20 2cwm s SER 160 CO 0.02 -2.00 1.77 0.77 0.98 0.00 0.00 173.24 174.78 2cwm h SER 161 N -1.12 0.72 -0.04 7.02 4.64 -2.01 0.58 113.55 123.34 2cwm h SER 161 Ca -0.47 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 60.94 2cwm h SER 161 Cb 1.32 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 2cwm h SER 161 CO 0.64 0.25 0.01 -0.46 -0.87 0.00 0.00 176.83 176.40 2cwm n ASN 162 N -4.80 1.78 0.00 4.97 6.94 -1.26 -4.83 115.26 118.05 2cwm n ASN 162 Ca 0.22 -2.07 0.00 0.00 -0.02 0.00 0.00 54.58 52.72 2cwm n ASN 162 Cb 0.56 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 2cwm n ASN 162 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2cwm n GLY 163 N 0.14 0.67 3.80 4.83 0.00 0.20 -4.99 105.19 109.84 2cwm n GLY 163 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2cwm n GLY 163 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cwm s SER 164 N -2.46 6.63 0.44 1.61 0.15 -1.23 -4.76 113.70 114.08 2cwm s SER 164 Ca 0.00 0.75 -0.24 0.00 0.70 0.00 0.00 55.95 57.16 2cwm s SER 164 Cb 0.00 -2.21 -0.08 0.00 -1.71 0.00 0.00 66.02 62.02 2cwm s SER 164 CO 0.00 0.24 1.14 -2.16 1.20 0.00 0.00 173.24 173.66 2cwm s PRO 165 N -0.44 3.89 0.23 5.44 0.04 -1.26 0.11 135.00 143.01 2cwm s PRO 165 Ca 0.21 1.73 0.05 0.00 0.04 0.00 0.00 61.00 63.03 2cwm s PRO 165 Cb -0.15 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 2cwm s PRO 165 CO 0.09 -0.43 0.33 -0.65 0.04 0.00 0.00 177.00 176.38 2cwm s GLN 166 N -2.59 3.39 0.69 4.56 -1.52 -0.39 -4.83 119.66 118.97 2cwm s GLN 166 Ca 0.61 -0.77 -0.03 0.00 -1.95 0.00 0.00 55.36 53.22 2cwm s GLN 166 Cb -0.28 -2.86 0.09 0.00 -0.22 0.00 0.00 33.01 29.74 2cwm s GLN 166 CO 0.34 0.44 0.96 0.20 -0.25 0.00 0.00 175.29 176.98 2cwm s GLY 167 N -3.88 1.76 -1.69 3.09 0.00 -1.26 -4.27 107.32 101.06 2cwm s GLY 167 Ca 0.34 -1.36 -0.12 0.00 0.00 0.00 0.00 44.72 43.58 2cwm s GLY 167 CO 0.28 -0.90 0.38 -1.26 0.00 0.00 0.00 173.10 171.60 2cwm n SER 168 N -2.79 -0.82 -4.71 1.64 2.88 -0.68 -4.83 113.62 104.31 2cwm n SER 168 Ca 0.11 -1.21 -0.30 0.00 -1.33 0.00 0.00 58.87 56.14 2cwm n SER 168 Cb 0.60 -1.88 -0.08 0.00 -0.75 0.00 0.00 64.21 62.11 2cwm n SER 168 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cwm s SER 169 N -3.79 5.16 -0.13 -3.46 0.15 -1.13 -4.95 113.70 105.56 2cwm s SER 169 Ca 0.43 -0.12 -0.07 0.00 0.70 0.00 0.00 55.95 56.89 2cwm s SER 169 Cb -0.25 -1.28 0.05 0.00 -1.71 0.00 0.00 66.02 62.83 2cwm s SER 169 CO 0.99 0.18 0.30 0.54 1.20 0.00 0.00 173.24 176.45 2cwm s VAL 170 N -1.32 -0.03 0.03 4.45 0.11 -1.26 -1.21 120.40 121.17 2cwm s VAL 170 Ca 0.26 0.12 -0.17 0.00 -2.93 0.00 0.00 61.98 59.27 2cwm s VAL 170 Cb -0.12 -0.46 0.03 0.00 -1.53 0.00 0.00 36.38 34.31 2cwm s VAL 170 CO 0.19 0.05 0.37 -0.83 -3.33 0.00 0.00 175.10 171.55 2cwm s GLY 171 N 1.23 -0.22 0.07 6.54 0.00 -0.69 -0.22 107.32 114.04 2cwm s GLY 171 Ca -0.09 0.24 -0.04 0.00 0.00 0.00 0.00 44.72 44.83 2cwm s GLY 171 CO -0.09 -0.00 0.06 0.50 0.00 0.00 0.00 173.10 173.56 2cwm s ARG 172 N -2.32 0.73 -0.07 2.90 0.52 -0.48 -1.48 118.95 118.76 2cwm s ARG 172 Ca -0.06 -1.15 -0.01 0.00 -0.52 0.00 0.00 55.73 53.98 2cwm s ARG 172 Cb -0.01 0.26 0.03 0.00 0.52 0.00 0.00 34.95 35.75 2cwm s ARG 172 CO -0.01 -0.19 -0.01 0.00 0.02 0.00 0.00 175.30 175.11 2cwm s ALA 173 N -3.91 0.71 0.04 2.13 0.00 -0.03 -0.78 121.76 119.91 2cwm s ALA 173 Ca 0.08 -0.13 0.07 0.00 0.00 0.00 0.00 51.96 51.98 2cwm s ALA 173 Cb 0.07 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 2cwm s ALA 173 CO -0.09 -0.41 -0.18 -0.51 0.00 0.00 0.00 175.76 174.58 2cwm s LEU 174 N 1.84 2.63 0.43 0.00 1.02 -0.46 -0.40 118.68 123.74 2cwm s LEU 174 Ca 0.03 -0.41 -0.25 0.00 0.02 0.00 0.00 54.13 53.53 2cwm s LEU 174 Cb -0.12 -1.53 -0.08 0.00 0.02 0.00 0.00 46.19 44.48 2cwm s LEU 174 CO -0.05 0.26 1.24 0.12 0.02 0.00 0.00 176.35 177.94 2cwm s PHE 175 N -0.92 2.86 0.11 0.29 5.36 -0.07 0.17 117.98 125.78 2cwm s PHE 175 Ca 0.15 1.48 -0.16 0.00 -0.96 0.00 0.00 56.93 57.44 2cwm s PHE 175 Cb -0.11 -3.53 -0.04 0.00 -0.34 0.00 0.00 43.02 39.00 2cwm s PHE 175 CO 0.05 -1.80 1.56 -0.92 -1.46 0.00 0.00 175.22 172.65 2cwm h TYR 176 N 2.40 0.66 -3.69 10.12 5.03 -1.50 -3.43 116.97 126.57 2cwm h TYR 176 Ca -0.49 -0.11 -0.50 0.00 2.58 0.00 0.00 58.73 60.20 2cwm h TYR 176 Cb 1.25 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 39.34 2cwm h TYR 176 CO 0.53 0.71 0.38 0.00 -1.32 0.00 0.00 178.16 178.46 2cwm s ALA 177 N -5.02 3.32 0.80 1.82 0.00 -1.26 -4.99 121.76 116.43 2cwm s ALA 177 Ca -0.13 0.65 -0.13 0.00 0.00 0.00 0.00 51.96 52.35 2cwm s ALA 177 Cb 0.09 -3.25 0.08 0.00 0.00 0.00 0.00 23.12 20.03 2cwm s ALA 177 CO 0.78 0.07 1.21 -2.14 0.00 0.00 0.00 175.76 175.67 2cwm s PRO 178 N -0.82 1.71 -0.06 0.00 0.02 -1.26 -4.79 135.00 129.80 2cwm s PRO 178 Ca 0.44 1.75 0.05 0.00 0.02 0.00 0.00 61.00 63.26 2cwm s PRO 178 Cb -0.26 -1.78 -0.00 0.00 0.02 0.00 0.00 34.50 32.47 2cwm s PRO 178 CO 0.33 -2.16 -0.20 0.08 -0.33 0.00 0.00 177.00 174.72 2cwm s VAL 179 N -2.13 1.66 -0.80 3.83 1.01 0.77 -4.94 120.40 119.80 2cwm s VAL 179 Ca 0.73 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 61.68 2cwm s VAL 179 Cb -0.29 -1.43 0.11 0.00 0.00 0.00 0.00 36.38 34.78 2cwm s VAL 179 CO 0.50 0.47 1.00 -2.28 0.00 0.00 0.00 175.10 174.79 2cwm s HIS 180 N 0.06 3.00 -0.07 5.22 2.46 -1.26 -0.95 115.29 123.75 2cwm s HIS 180 Ca -0.06 -1.12 0.14 0.00 0.47 0.00 0.00 55.06 54.49 2cwm s HIS 180 Cb -0.13 -4.22 -0.12 0.00 -0.13 0.00 0.00 32.58 27.98 2cwm s HIS 180 CO 0.04 -1.48 1.04 0.97 -2.47 0.00 0.00 174.74 172.83 2cwm h ILE 181 N 5.84 0.88 -3.72 0.89 6.09 -1.43 -3.46 117.51 122.61 2cwm h ILE 181 Ca -0.04 -2.45 -0.12 0.00 -1.37 0.00 0.00 64.86 60.88 2cwm h ILE 181 Cb 1.05 2.35 -0.18 0.00 0.47 0.00 0.00 36.82 40.52 2cwm h ILE 181 CO 1.11 0.50 -0.48 -1.66 -3.07 0.00 0.00 178.15 174.55 2cwm s TRP 182 N -2.83 0.15 -0.17 2.19 1.48 -1.21 -4.72 118.94 113.82 2cwm s TRP 182 Ca -0.01 -0.42 -0.08 0.00 -1.06 0.00 0.00 56.10 54.53 2cwm s TRP 182 Cb 0.08 -0.10 0.07 0.00 -1.16 0.00 0.00 33.47 32.36 2cwm s TRP 182 CO 0.80 -0.39 0.40 -2.00 -4.06 0.00 0.00 176.95 171.70 2cwm s GLU 183 N -2.57 0.35 0.30 3.25 -6.30 -1.26 -4.79 118.70 107.67 2cwm s GLU 183 Ca -0.05 0.85 0.05 0.00 -2.50 0.00 0.00 54.97 53.32 2cwm s GLU 183 Cb -0.01 0.08 0.76 0.00 0.00 0.00 0.00 34.13 34.95 2cwm s GLU 183 CO -0.04 -0.19 1.73 0.77 0.02 0.00 0.00 175.26 177.54 2cwm h SER 184 N 7.51 0.55 0.05 -1.70 0.02 -2.01 -0.71 113.55 117.26 2cwm h SER 184 Ca -0.29 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 2cwm h SER 184 Cb 1.16 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 2cwm h SER 184 CO 0.24 0.11 -0.03 0.28 -1.14 0.00 0.00 176.83 176.29 2cwm h SER 185 N 0.55 0.00 -3.34 3.07 0.02 -1.99 -3.45 113.55 108.41 2cwm h SER 185 Ca 0.58 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 61.00 2cwm h SER 185 Cb 1.03 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.59 2cwm h SER 185 CO -0.46 0.03 0.60 0.00 -1.14 0.00 0.00 176.83 175.86 2cwm s ALA 186 N -4.77 3.46 0.13 3.77 0.00 -0.27 -3.95 121.76 120.13 2cwm s ALA 186 Ca -0.05 0.98 0.01 0.00 0.00 0.00 0.00 51.96 52.90 2cwm s ALA 186 Cb 0.16 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.71 2cwm s ALA 186 CO 0.62 -0.45 1.29 0.28 0.00 0.00 0.00 175.76 177.50 2cwm h VAL 187 N 3.97 1.52 -3.42 0.00 2.07 -0.85 -3.44 116.25 116.10 2cwm h VAL 187 Ca -0.44 -2.84 -0.41 0.00 0.82 0.00 0.00 66.70 63.84 2cwm h VAL 187 Cb 1.21 2.64 -0.35 0.00 -1.52 0.00 0.00 31.29 33.28 2cwm h VAL 187 CO 0.78 0.83 -0.77 -0.69 0.02 0.00 0.00 177.57 177.74 2cwm s VAL 188 N -2.99 0.49 -0.12 2.57 1.01 -0.78 -4.78 120.40 115.79 2cwm s VAL 188 Ca -0.03 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.91 2cwm s VAL 188 Cb 0.09 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.93 2cwm s VAL 188 CO 0.85 0.23 -0.22 0.00 0.00 0.00 0.00 175.10 175.96 2cwm s ALA 189 N 1.12 2.27 0.04 5.51 0.00 -1.26 -0.49 121.76 128.95 2cwm s ALA 189 Ca -0.08 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2cwm s ALA 189 Cb -0.14 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 2cwm s ALA 189 CO -0.01 0.18 -0.04 -1.54 0.00 0.00 0.00 175.76 174.34 2cwm s SER 190 N 0.50 0.55 0.04 0.00 1.04 -0.63 -0.47 113.70 114.73 2cwm s SER 190 Ca -0.14 -0.72 -0.05 0.00 0.48 0.00 0.00 55.95 55.53 2cwm s SER 190 Cb -0.17 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 2cwm s SER 190 CO 0.05 -0.39 0.08 0.72 0.98 0.00 0.00 173.24 174.68 2cwm s PHE 191 N -2.42 0.23 0.02 5.02 -0.12 -0.08 -1.58 117.98 119.06 2cwm s PHE 191 Ca -0.05 -0.56 -0.09 0.00 -0.05 0.00 0.00 56.93 56.18 2cwm s PHE 191 Cb -0.03 -0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.20 2cwm s PHE 191 CO -0.04 -0.36 0.19 0.16 -0.05 0.00 0.00 175.22 175.12 2cwm s ASP 192 N -2.17 -0.00 -0.06 1.98 -4.77 -0.19 -0.94 116.67 110.52 2cwm s ASP 192 Ca -0.04 -0.23 -0.08 0.00 -3.30 0.00 0.00 52.55 48.89 2cwm s ASP 192 Cb -0.01 0.26 0.02 0.00 -1.09 0.00 0.00 42.92 42.10 2cwm s ASP 192 CO -0.05 -0.46 0.22 0.00 0.70 0.00 0.00 175.17 175.57 2cwm s ALA 193 N -1.87 -0.53 -0.02 2.11 0.00 -0.16 -0.64 121.76 120.65 2cwm s ALA 193 Ca -0.11 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.32 2cwm s ALA 193 Cb -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.86 2cwm s ALA 193 CO -0.00 -0.15 -0.10 0.99 0.00 0.00 0.00 175.76 176.50 2cwm s THR 194 N -0.37 0.85 0.02 0.00 2.01 -0.39 -0.52 115.64 117.24 2cwm s THR 194 Ca -0.05 -0.41 -0.00 0.00 0.31 0.00 0.00 61.69 61.54 2cwm s THR 194 Cb -0.03 -0.74 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 2cwm s THR 194 CO 0.01 0.26 -0.03 0.72 -0.69 0.00 0.00 174.62 174.89 2cwm s PHE 195 N 0.09 0.25 0.06 4.92 -0.12 -0.66 -0.20 117.98 122.33 2cwm s PHE 195 Ca -0.02 -0.52 0.06 0.00 -0.05 0.00 0.00 56.93 56.40 2cwm s PHE 195 Cb -0.08 -0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.09 2cwm s PHE 195 CO 0.00 -0.19 -0.09 0.95 -0.05 0.00 0.00 175.22 175.84 2cwm s THR 196 N -1.45 3.45 0.04 -4.49 -4.23 -0.45 -0.76 115.64 107.76 2cwm s THR 196 Ca -0.16 -1.08 -0.15 0.00 -1.18 0.00 0.00 61.69 59.12 2cwm s THR 196 Cb -0.10 -2.56 0.02 0.00 1.34 0.00 0.00 72.50 71.20 2cwm s THR 196 CO -0.01 0.23 0.33 0.72 -0.54 0.00 0.00 174.62 175.35 2cwm s PHE 197 N -1.12 -0.15 -0.21 3.99 -0.71 -0.52 -0.78 117.98 118.49 2cwm s PHE 197 Ca 0.20 0.05 -0.03 0.00 -1.04 0.00 0.00 56.93 56.10 2cwm s PHE 197 Cb -0.11 0.13 0.07 0.00 -1.21 0.00 0.00 43.02 41.89 2cwm s PHE 197 CO 0.11 -0.51 0.06 -1.17 -1.34 0.00 0.00 175.22 172.37 2cwm s LEU 198 N -2.01 1.04 -0.21 -1.99 2.96 0.49 -0.73 118.68 118.23 2cwm s LEU 198 Ca -0.05 -0.88 -0.06 0.00 -0.22 0.00 0.00 54.13 52.92 2cwm s LEU 198 Cb -0.01 -0.52 -0.03 0.00 0.50 0.00 0.00 46.19 46.13 2cwm s LEU 198 CO -0.03 -0.33 0.02 -0.63 -1.32 0.00 0.00 176.35 174.06 2cwm s ILE 199 N 1.92 4.08 -0.05 6.68 1.01 -1.26 -2.64 121.20 130.94 2cwm s ILE 199 Ca 0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 2cwm s ILE 199 Cb -0.17 -2.86 0.02 0.00 0.01 0.00 0.00 42.46 39.46 2cwm s ILE 199 CO -0.12 0.41 0.13 -0.75 0.00 0.00 0.00 174.94 174.61 2cwm s LYS 200 N 1.13 0.14 -0.06 2.79 2.20 -1.24 -0.04 119.74 124.66 2cwm s LYS 200 Ca 0.03 0.20 -0.13 0.00 -0.36 0.00 0.00 55.97 55.72 2cwm s LYS 200 Cb -0.14 0.03 0.02 0.00 -1.51 0.00 0.00 37.83 36.23 2cwm s LYS 200 CO 0.02 -0.04 0.30 0.45 -0.36 0.00 0.00 175.35 175.72 2cwm s SER 201 N 0.24 -0.23 0.00 1.43 0.15 -1.26 -0.84 113.70 113.18 2cwm s SER 201 Ca -0.01 0.30 0.11 0.00 0.70 0.00 0.00 55.95 57.04 2cwm s SER 201 Cb -0.03 0.45 0.29 0.00 -1.71 0.00 0.00 66.02 65.02 2cwm s SER 201 CO -0.01 -0.30 1.23 -1.54 1.20 0.00 0.00 173.24 173.82 2cwm n SER 202 N 1.97 2.86 -4.71 5.45 3.41 -1.26 -4.94 113.62 116.39 2cwm n SER 202 Ca -0.18 -1.97 -0.30 0.00 -0.26 0.00 0.00 58.87 56.16 2cwm n SER 202 Cb 0.57 -0.22 0.13 0.00 -0.26 0.00 0.00 64.21 64.44 2cwm n SER 202 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2cwm s ASP 203 N -1.00 3.56 0.47 4.04 1.11 -1.26 -4.90 116.67 118.70 2cwm s ASP 203 Ca 0.22 1.81 0.19 0.00 0.18 0.00 0.00 52.55 54.95 2cwm s ASP 203 Cb 0.12 -2.43 1.19 0.00 1.07 0.00 0.00 42.92 42.87 2cwm s ASP 203 CO 0.15 -2.63 1.99 0.28 1.18 0.00 0.00 175.17 176.14 2cwm h SER 204 N -1.54 0.21 -3.73 0.27 0.02 -1.96 -3.41 113.55 103.41 2cwm h SER 204 Ca -0.46 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.37 2cwm h SER 204 Cb 1.26 -0.04 -0.25 0.00 0.14 0.00 0.00 62.40 63.52 2cwm h SER 204 CO 0.49 0.12 -0.26 -2.28 -1.14 0.00 0.00 176.83 173.77 2cwm s HIS 205 N -5.23 -0.47 0.51 3.45 5.65 -1.26 -5.14 115.29 112.79 2cwm s HIS 205 Ca -0.07 1.12 -0.21 0.00 0.25 0.00 0.00 55.06 56.16 2cwm s HIS 205 Cb 0.20 0.17 -0.07 0.00 -1.18 0.00 0.00 32.58 31.71 2cwm s HIS 205 CO 0.74 -0.24 1.14 -1.25 -0.65 0.00 0.00 174.74 174.48 2cwm s PRO 206 N 0.48 3.54 0.10 2.88 0.04 -1.26 -4.06 135.00 136.71 2cwm s PRO 206 Ca -0.02 1.67 -0.02 0.00 0.04 0.00 0.00 61.00 62.67 2cwm s PRO 206 Cb -0.04 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.33 2cwm s PRO 206 CO -0.02 -0.71 0.16 0.00 0.04 0.00 0.00 177.00 176.46 2cwm n ALA 207 N -0.95 -0.21 -0.13 8.56 0.00 -1.20 -4.22 120.51 122.36 2cwm n ALA 207 Ca 0.10 -0.41 -0.00 0.00 0.00 0.00 0.00 53.44 53.12 2cwm n ALA 207 Cb 0.50 0.33 0.26 0.00 0.00 0.00 0.00 19.45 20.54 2cwm n ALA 207 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2cwm h ASP 208 N 0.54 0.73 -0.77 0.00 5.19 -1.43 -3.08 116.42 117.60 2cwm h ASP 208 Ca -0.08 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 2cwm h ASP 208 Cb 0.33 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.65 2cwm h ASP 208 CO 0.10 0.63 0.00 0.61 -3.12 0.00 0.00 179.24 177.46 2cwm n GLY 209 N -1.16 0.52 2.96 2.75 0.00 -1.15 -1.81 105.19 107.29 2cwm n GLY 209 Ca 0.05 -1.69 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 2cwm n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cwm s ILE 210 N -2.81 0.33 0.03 -0.61 1.01 -0.32 -2.73 121.20 116.11 2cwm s ILE 210 Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.35 2cwm s ILE 210 Cb 0.00 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 42.14 2cwm s ILE 210 CO 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 174.94 174.84 2cwm s ALA 211 N -0.33 0.81 -0.09 9.38 0.00 0.05 0.25 121.76 131.82 2cwm s ALA 211 Ca -0.01 -0.69 -0.19 0.00 0.00 0.00 0.00 51.96 51.08 2cwm s ALA 211 Cb -0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 2cwm s ALA 211 CO -0.00 0.11 0.51 0.12 0.00 0.00 0.00 175.76 176.50 2cwm s PHE 212 N -0.90 3.56 0.10 0.00 5.36 -0.72 -0.46 117.98 124.93 2cwm s PHE 212 Ca -0.03 0.97 0.03 0.00 -0.96 0.00 0.00 56.93 56.94 2cwm s PHE 212 Cb -0.07 -2.56 -0.04 0.00 -0.34 0.00 0.00 43.02 40.00 2cwm s PHE 212 CO 0.01 0.22 -0.08 -0.59 -1.46 0.00 0.00 175.22 173.32 2cwm s PHE 213 N 0.40 0.98 -0.05 10.12 -0.71 0.04 -0.81 117.98 127.95 2cwm s PHE 213 Ca 0.27 -0.81 0.02 0.00 -1.04 0.00 0.00 56.93 55.38 2cwm s PHE 213 Cb -0.16 -0.55 0.01 0.00 -1.21 0.00 0.00 43.02 41.12 2cwm s PHE 213 CO 0.12 -0.07 -0.10 0.42 -1.34 0.00 0.00 175.22 174.25 2cwm s ILE 214 N -3.21 0.96 0.13 -4.49 1.01 0.85 -1.19 121.20 115.25 2cwm s ILE 214 Ca 0.10 -0.40 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 2cwm s ILE 214 Cb 0.02 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 2cwm s ILE 214 CO -0.02 0.31 0.03 -0.94 0.00 0.00 0.00 174.94 174.32 2cwm s SER 215 N 0.56 0.52 0.50 3.58 1.04 -0.17 -1.90 113.70 117.84 2cwm s SER 215 Ca -0.11 -1.17 -0.19 0.00 0.48 0.00 0.00 55.95 54.96 2cwm s SER 215 Cb -0.14 0.25 -0.12 0.00 0.10 0.00 0.00 66.02 66.11 2cwm s SER 215 CO 0.02 -0.68 0.26 -0.46 0.98 0.00 0.00 173.24 173.37 2cwm n ASN 216 N -0.09 -2.09 0.25 7.02 0.23 -1.20 -0.75 115.26 118.63 2cwm n ASN 216 Ca -0.07 0.75 0.08 0.00 -0.53 0.00 0.00 54.58 54.81 2cwm n ASN 216 Cb 0.63 -1.02 0.61 0.00 -2.08 0.00 0.00 39.78 37.92 2cwm n ASN 216 CO 0.00 0.00 0.00 0.16 -0.93 0.00 0.00 177.26 176.49 2cwm h ILE 217 N 0.28 0.99 -0.61 1.53 3.07 -1.84 -1.81 117.51 119.11 2cwm h ILE 217 Ca -0.42 -0.33 -0.08 0.00 1.55 0.00 0.00 64.86 65.59 2cwm h ILE 217 Cb 1.42 1.18 -0.05 0.00 -0.27 0.00 0.00 36.82 39.11 2cwm h ILE 217 CO 0.46 0.09 0.10 -0.90 -1.05 0.00 0.00 178.15 176.85 2cwm n ASP 218 N -4.31 5.29 -4.75 2.16 5.75 -1.26 -4.70 116.55 114.72 2cwm n ASP 218 Ca -0.03 -2.99 -0.42 0.00 -0.01 0.00 0.00 54.79 51.34 2cwm n ASP 218 Cb 0.17 -0.70 -0.01 0.00 -1.03 0.00 0.00 41.12 39.54 2cwm n ASP 218 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2cwm n SER 219 N 0.35 3.90 -4.29 -1.12 2.88 -0.68 -5.01 113.62 109.65 2cwm n SER 219 Ca 0.31 1.15 -0.15 0.00 -1.33 0.00 0.00 58.87 58.85 2cwm n SER 219 Cb 1.24 -1.60 -0.10 0.00 -0.75 0.00 0.00 64.21 62.99 2cwm n SER 219 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cwm s SER 220 N 0.45 1.71 0.03 -3.46 1.04 -1.26 -5.09 113.70 107.11 2cwm s SER 220 Ca 0.63 -1.14 -0.30 0.00 0.48 0.00 0.00 55.95 55.61 2cwm s SER 220 Cb -0.49 0.02 -0.07 0.00 0.10 0.00 0.00 66.02 65.59 2cwm s SER 220 CO 0.50 -0.46 1.51 -0.63 0.98 0.00 0.00 173.24 175.13 2cwm s ILE 221 N -3.43 3.43 0.34 -1.02 1.01 -1.26 -4.93 121.20 115.34 2cwm s ILE 221 Ca 0.24 0.84 -0.28 0.00 0.00 0.00 0.00 60.65 61.44 2cwm s ILE 221 Cb 0.05 -3.54 -0.10 0.00 0.01 0.00 0.00 42.46 38.88 2cwm s ILE 221 CO 0.05 -0.00 1.34 -2.84 0.00 0.00 0.00 174.94 173.49 2cwm s PRO 222 N 2.51 4.29 0.25 2.79 0.02 -1.26 -4.93 135.00 138.66 2cwm s PRO 222 Ca 0.68 2.29 -0.31 0.00 0.02 0.00 0.00 61.00 63.68 2cwm s PRO 222 Cb -0.35 -3.04 -0.12 0.00 0.02 0.00 0.00 34.50 31.02 2cwm s PRO 222 CO 0.29 -0.27 1.67 -1.13 -0.33 0.00 0.00 177.00 177.23 2cwm n SER 223 N 0.69 3.95 -0.17 2.53 3.41 -1.26 -1.97 113.62 120.80 2cwm n SER 223 Ca 0.00 1.10 -0.02 0.00 -0.26 0.00 0.00 58.87 59.69 2cwm n SER 223 Cb 0.41 -1.58 -0.01 0.00 -0.26 0.00 0.00 64.21 62.77 2cwm n SER 223 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cwm n GLY 224 N 3.18 0.53 1.85 5.00 0.00 -1.26 -4.80 105.19 109.69 2cwm n GLY 224 Ca 0.13 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 45.16 2cwm n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cwm n SER 225 N 1.65 4.84 -3.45 1.61 3.41 -0.83 -4.91 113.62 115.93 2cwm n SER 225 Ca -0.02 -3.00 -0.26 0.00 -0.26 0.00 0.00 58.87 55.33 2cwm n SER 225 Cb 0.09 -0.71 0.21 0.00 -0.26 0.00 0.00 64.21 63.55 2cwm n SER 225 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2cwm n THR 226 N 0.15 0.00 -1.70 6.66 -2.24 -1.26 0.16 114.28 116.05 2cwm n THR 226 Ca 0.33 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2cwm n THR 226 Cb 1.22 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 2cwm n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cwm n GLY 227 N -3.69 3.36 0.16 3.38 0.00 -0.15 -3.12 105.19 105.13 2cwm n GLY 227 Ca 0.13 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.09 2cwm n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2cwm h ARG 228 N 0.00 0.00 -0.01 1.61 0.11 -1.89 -2.37 114.38 111.83 2cwm h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2cwm h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2cwm h ARG 228 CO 0.00 0.00 -0.20 1.28 0.10 0.00 0.00 179.97 181.15 2cwm n LEU 229 N -2.32 1.46 -1.65 0.08 4.77 -1.18 -4.95 117.00 113.21 2cwm n LEU 229 Ca 0.00 -0.46 -0.17 0.00 -0.03 0.00 0.00 56.01 55.35 2cwm n LEU 229 Cb 0.15 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 2cwm n LEU 229 CO 0.16 0.26 -0.19 0.18 -1.33 0.00 0.00 177.39 176.47 2cwm n LEU 230 N -0.17 -1.52 -0.63 2.23 4.77 -0.89 -0.40 117.00 120.38 2cwm n LEU 230 Ca 0.14 0.21 -0.08 0.00 -0.03 0.00 0.00 56.01 56.25 2cwm n LEU 230 Cb 0.39 -2.50 -0.04 0.00 -2.33 0.00 0.00 43.42 38.95 2cwm n LEU 230 CO 0.23 -0.56 -0.08 0.61 -1.33 0.00 0.00 177.39 176.27 2cwm n GLY 231 N -0.93 0.86 0.07 -0.72 0.00 0.12 -4.13 105.19 100.46 2cwm n GLY 231 Ca -0.19 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 2cwm n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cwm n LEU 232 N -0.94 1.15 -4.24 0.99 4.77 0.46 -4.38 117.00 114.82 2cwm n LEU 232 Ca -0.08 -0.03 -0.25 0.00 -0.03 0.00 0.00 56.01 55.62 2cwm n LEU 232 Cb 0.49 -0.03 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 2cwm n LEU 232 CO 0.13 0.50 -0.51 -0.36 -1.33 0.00 0.00 177.39 175.81 2cwm s PHE 233 N -2.32 1.74 -0.49 -1.77 0.08 -1.06 -4.78 117.98 109.38 2cwm s PHE 233 Ca -0.13 -0.38 0.26 0.00 0.12 0.00 0.00 56.93 56.81 2cwm s PHE 233 Cb 0.05 -1.03 0.84 0.00 -0.57 0.00 0.00 43.02 42.30 2cwm s PHE 233 CO 0.47 0.09 1.76 -1.00 -0.10 0.00 0.00 175.22 176.45 2cwm h PRO 234 N 4.81 0.00 -2.85 0.24 0.13 -1.90 -3.40 132.00 129.03 2cwm h PRO 234 Ca -0.42 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.76 2cwm h PRO 234 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2cwm h PRO 234 CO 0.43 0.00 0.34 0.16 -0.23 0.00 0.00 178.00 178.71 2cwm s ASP 235 N -4.98 -0.07 -0.06 1.44 1.47 -1.26 -4.87 116.67 108.35 2cwm s ASP 235 Ca 0.07 -0.88 0.16 0.00 1.18 0.00 0.00 52.55 53.08 2cwm s ASP 235 Cb 0.10 0.73 0.55 0.00 -0.34 0.00 0.00 42.92 43.95 2cwm s ASP 235 CO 0.55 -1.41 1.44 0.00 0.68 0.00 0.00 175.17 176.43 2cwm n ALA 236 N -0.54 2.77 0.08 2.11 0.00 -1.26 -4.69 120.51 118.98 2cwm n ALA 236 Ca -0.06 -1.16 0.01 0.00 0.00 0.00 0.00 53.44 52.23 2cwm n ALA 236 Cb 0.60 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 19.09 2cwm n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59