#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 3.80 -0.21 0.00 1.01 -1.26 -5.03 116.67 114.98 2cwm s ASP 2 Ca 0.00 1.88 -0.09 0.00 0.71 0.00 0.00 52.55 55.06 2cwm s ASP 2 Cb 0.00 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 2cwm s ASP 2 CO 0.00 -2.49 0.10 -0.89 0.21 0.00 0.00 175.17 172.10 2cwm s THR 3 N -2.82 5.01 -0.09 -1.27 2.01 -1.26 -5.00 115.64 112.21 2cwm s THR 3 Ca 0.63 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.71 2cwm s THR 3 Cb -0.19 -3.29 0.01 0.00 0.01 0.00 0.00 72.50 69.03 2cwm s THR 3 CO 0.57 0.41 -0.18 -0.63 -0.69 0.00 0.00 174.62 174.10 2cwm s ILE 4 N 0.72 1.61 -0.10 1.82 -1.09 -1.26 -2.99 121.20 119.92 2cwm s ILE 4 Ca 0.05 -0.74 0.03 0.00 -2.23 0.00 0.00 60.65 57.76 2cwm s ILE 4 Cb -0.13 -1.44 -0.01 0.00 -1.58 0.00 0.00 42.46 39.30 2cwm s ILE 4 CO 0.02 0.46 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.32 2cwm s VAL 5 N 0.66 2.63 0.04 2.92 1.01 -0.59 -0.02 120.40 127.05 2cwm s VAL 5 Ca -0.13 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 2cwm s VAL 5 Cb -0.16 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.20 2cwm s VAL 5 CO 0.03 0.55 0.32 0.00 0.00 0.00 0.00 175.10 176.01 2cwm s ALA 6 N 0.07 -0.73 -0.23 5.51 0.00 -0.32 -0.91 121.76 125.15 2cwm s ALA 6 Ca -0.08 0.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.90 2cwm s ALA 6 Cb -0.15 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.30 2cwm s ALA 6 CO 0.05 -0.42 -0.05 0.08 0.00 0.00 0.00 175.76 175.42 2cwm s VAL 7 N -2.54 3.19 -0.12 0.00 1.01 0.32 -0.06 120.40 122.20 2cwm s VAL 7 Ca -0.05 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 2cwm s VAL 7 Cb -0.01 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2cwm s VAL 7 CO -0.03 0.34 0.08 -1.83 0.00 0.00 0.00 175.10 173.66 2cwm s GLU 8 N 1.43 3.37 -0.47 2.72 -1.05 -0.19 -1.13 118.70 123.37 2cwm s GLU 8 Ca 0.04 -0.27 -0.11 0.00 -0.15 0.00 0.00 54.97 54.48 2cwm s GLU 8 Cb -0.15 -3.05 0.11 0.00 -0.44 0.00 0.00 34.13 30.59 2cwm s GLU 8 CO -0.04 0.66 0.36 -0.51 0.95 0.00 0.00 175.26 176.69 2cwm s LEU 9 N -0.73 5.66 -0.36 1.83 1.02 0.11 -1.10 118.68 125.11 2cwm s LEU 9 Ca 0.12 -1.72 -0.07 0.00 0.02 0.00 0.00 54.13 52.49 2cwm s LEU 9 Cb -0.12 -2.07 0.05 0.00 0.02 0.00 0.00 46.19 44.07 2cwm s LEU 9 CO 0.03 -0.69 0.15 -0.62 0.02 0.00 0.00 176.35 175.24 2cwm s ASP 10 N 2.73 5.42 0.11 2.29 -1.08 0.19 -1.58 116.67 124.74 2cwm s ASP 10 Ca 0.04 -1.25 0.25 0.00 -0.52 0.00 0.00 52.55 51.08 2cwm s ASP 10 Cb -0.26 -1.90 0.57 0.00 -1.46 0.00 0.00 42.92 39.86 2cwm s ASP 10 CO 0.02 -0.39 1.50 0.35 0.52 0.00 0.00 175.17 177.17 2cwm n THR 11 N 4.84 0.31 -4.05 1.71 -2.24 -0.95 -1.97 114.28 111.93 2cwm n THR 11 Ca -0.11 -0.20 -0.31 0.00 -2.27 0.00 0.00 64.05 61.15 2cwm n THR 11 Cb 0.44 -0.21 -0.16 0.00 -2.10 0.00 0.00 70.33 68.31 2cwm n THR 11 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2cwm s TYR 12 N -3.11 2.62 -0.47 4.78 5.04 -1.25 -4.56 117.35 120.40 2cwm s TYR 12 Ca 0.09 -1.67 -0.28 0.00 -2.44 0.00 0.00 57.07 52.77 2cwm s TYR 12 Cb 0.14 -1.76 -0.01 0.00 0.35 0.00 0.00 41.96 40.68 2cwm s TYR 12 CO 0.67 -0.77 1.67 -2.14 -1.34 0.00 0.00 175.55 173.64 2cwm s PRO 13 N 1.33 3.16 -1.10 4.97 0.02 -1.26 -4.92 135.00 137.20 2cwm s PRO 13 Ca 0.00 0.90 -0.07 0.00 0.02 0.00 0.00 61.00 61.86 2cwm s PRO 13 Cb -0.15 -4.21 0.29 0.00 0.02 0.00 0.00 34.50 30.45 2cwm s PRO 13 CO -0.09 -2.08 1.29 0.09 -0.33 0.00 0.00 177.00 175.88 2cwm n ASN 14 N 10.61 5.94 0.30 2.53 4.13 -1.26 -4.87 115.26 132.63 2cwm n ASN 14 Ca 0.19 -3.21 0.18 0.00 1.68 0.00 0.00 54.58 53.42 2cwm n ASN 14 Cb 0.49 -1.33 0.93 0.00 -1.54 0.00 0.00 39.78 38.33 2cwm n ASN 14 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 2cwm h THR 15 N 3.55 0.21 0.00 3.41 1.35 -1.84 -0.69 112.91 118.88 2cwm h THR 15 Ca 0.19 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 2cwm h THR 15 Cb 0.75 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2cwm h THR 15 CO 1.17 0.03 0.00 -0.90 -0.25 0.00 0.00 175.52 175.57 2cwm n ASP 16 N -3.31 0.31 -0.33 5.36 3.85 -1.26 -2.56 116.55 118.61 2cwm n ASP 16 Ca -0.02 0.56 0.08 0.00 -0.71 0.00 0.00 54.79 54.70 2cwm n ASP 16 Cb 0.17 -0.63 0.17 0.00 -1.35 0.00 0.00 41.12 39.48 2cwm n ASP 16 CO 0.00 0.00 0.00 2.30 -1.01 0.00 0.00 177.20 178.49 2cwm n ILE 17 N -1.82 1.98 -0.11 2.12 -5.35 -0.29 -4.99 119.36 110.90 2cwm n ILE 17 Ca 0.04 -2.64 0.00 0.00 -0.27 0.00 0.00 62.75 59.87 2cwm n ILE 17 Cb 0.25 -0.21 0.00 0.00 -1.74 0.00 0.00 39.64 37.93 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 -1.25 0.55 3.74 3.28 0.00 -1.06 -4.70 105.19 105.75 2cwm n GLY 18 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2cwm n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cwm s ASP 19 N -2.95 4.96 1.05 1.61 1.01 -1.09 -4.90 116.67 116.36 2cwm s ASP 19 Ca 0.00 2.55 -0.15 0.00 0.71 0.00 0.00 52.55 55.65 2cwm s ASP 19 Cb 0.00 -2.61 0.21 0.00 1.01 0.00 0.00 42.92 41.53 2cwm s ASP 19 CO 0.00 -1.76 1.14 -2.16 0.21 0.00 0.00 175.17 172.60 2cwm s PRO 20 N -3.28 0.03 -0.27 8.23 0.04 -1.26 -4.14 135.00 134.35 2cwm s PRO 20 Ca 0.79 0.13 0.02 0.00 0.04 0.00 0.00 61.00 61.98 2cwm s PRO 20 Cb -0.35 -1.73 0.36 0.00 0.04 0.00 0.00 34.50 32.82 2cwm s PRO 20 CO 0.38 -2.91 1.59 -1.13 0.04 0.00 0.00 177.00 174.96 2cwm n SER 21 N -4.23 3.88 -3.74 6.66 3.41 -1.26 -4.65 113.62 113.69 2cwm n SER 21 Ca 0.09 -2.94 -0.11 0.00 -0.26 0.00 0.00 58.87 55.65 2cwm n SER 21 Cb 0.59 -0.74 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.90 -0.08 0.35 7.33 -0.85 -1.26 -4.97 117.35 115.97 2cwm s TYR 22 Ca 0.33 -0.16 -0.26 0.00 -0.52 0.00 0.00 57.07 56.46 2cwm s TYR 22 Cb 0.27 0.11 -0.13 0.00 0.38 0.00 0.00 41.96 42.60 2cwm s TYR 22 CO 0.05 -0.57 0.88 -2.30 -1.52 0.00 0.00 175.55 172.10 2cwm n PRO 23 N 0.22 1.11 -3.49 -3.49 -0.02 -1.26 -4.52 135.00 123.55 2cwm n PRO 23 Ca -0.17 0.39 -0.14 0.00 -2.02 0.00 0.00 63.50 61.57 2cwm n PRO 23 Cb 0.61 -1.78 -0.04 0.00 -0.02 0.00 0.00 33.50 32.27 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 -1.21 -0.52 0.02 6.00 -3.43 -0.83 -0.43 115.29 114.90 2cwm s HIS 24 Ca 0.61 0.50 -0.01 0.00 -0.80 0.00 0.00 55.06 55.36 2cwm s HIS 24 Cb -0.65 0.46 -0.04 0.00 -1.43 0.00 0.00 32.58 30.92 2cwm s HIS 24 CO 0.58 -0.74 0.18 0.96 -2.00 0.00 0.00 174.74 173.72 2cwm s ILE 25 N -2.93 5.35 0.08 -5.38 -4.36 -0.13 -0.64 121.20 113.19 2cwm s ILE 25 Ca -0.03 -0.28 -0.10 0.00 -0.26 0.00 0.00 60.65 59.98 2cwm s ILE 25 Cb -0.01 -3.54 0.00 0.00 1.25 0.00 0.00 42.46 40.17 2cwm s ILE 25 CO -0.06 0.25 0.22 -0.83 0.24 0.00 0.00 174.94 174.76 2cwm s GLY 26 N -2.16 0.03 -0.22 6.27 0.00 -0.26 -0.84 107.32 110.14 2cwm s GLY 26 Ca 0.30 -0.46 -0.05 0.00 0.00 0.00 0.00 44.72 44.51 2cwm s GLY 26 CO 0.22 -0.66 -0.01 -0.42 0.00 0.00 0.00 173.10 172.23 2cwm s ILE 27 N -3.55 3.65 -0.26 0.90 1.01 0.37 -1.02 121.20 122.29 2cwm s ILE 27 Ca 0.02 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.23 2cwm s ILE 27 Cb 0.03 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.85 2cwm s ILE 27 CO -0.09 0.41 -0.01 -1.81 0.00 0.00 0.00 174.94 173.44 2cwm s ASP 28 N 1.42 4.62 -0.37 3.58 1.01 0.91 -0.68 116.67 127.16 2cwm s ASP 28 Ca 0.05 -0.73 -0.03 0.00 0.71 0.00 0.00 52.55 52.55 2cwm s ASP 28 Cb -0.14 -1.76 0.09 0.00 1.01 0.00 0.00 42.92 42.12 2cwm s ASP 28 CO -0.01 -0.13 0.14 -0.63 0.21 0.00 0.00 175.17 174.75 2cwm s ILE 29 N 1.42 3.27 -2.13 0.77 -1.09 -1.26 -1.17 121.20 121.01 2cwm s ILE 29 Ca 0.02 -1.79 0.00 0.00 -2.23 0.00 0.00 60.65 56.65 2cwm s ILE 29 Cb -0.16 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 2cwm s ILE 29 CO -0.02 -0.49 0.00 0.29 -1.23 0.00 0.00 174.94 173.49 2cwm n LYS 30 N 4.63 -1.49 -3.61 2.79 5.02 0.98 -4.92 118.16 121.54 2cwm n LYS 30 Ca -0.06 1.18 -0.11 0.00 -2.02 0.00 0.00 58.31 57.30 2cwm n LYS 30 Cb 0.42 -5.61 -0.07 0.00 -0.02 0.00 0.00 35.03 29.75 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 -2.64 -0.51 0.40 4.39 0.15 -1.26 -4.93 113.70 109.29 2cwm s SER 31 Ca 0.00 0.88 0.28 0.00 0.70 0.00 0.00 55.95 57.81 2cwm s SER 31 Cb 0.00 0.85 1.23 0.00 -1.71 0.00 0.00 66.02 66.39 2cwm s SER 31 CO 0.00 -0.25 1.85 1.62 1.20 0.00 0.00 173.24 177.66 2cwm h VAL 32 N 3.42 0.00 -2.71 4.45 3.04 -1.84 -3.39 116.25 119.23 2cwm h VAL 32 Ca -0.26 -0.30 -0.60 0.00 -1.01 0.00 0.00 66.70 64.52 2cwm h VAL 32 Cb 1.17 1.13 -0.12 0.00 -2.01 0.00 0.00 31.29 31.45 2cwm h VAL 32 CO 0.16 0.00 0.68 -0.13 -1.01 0.00 0.00 177.57 177.27 2cwm s ARG 33 N -3.51 3.18 0.33 4.17 0.52 -1.26 -4.96 118.95 117.41 2cwm s ARG 33 Ca 0.02 -0.55 -0.28 0.00 -0.52 0.00 0.00 55.73 54.40 2cwm s ARG 33 Cb 0.09 -4.18 -0.13 0.00 0.52 0.00 0.00 34.95 31.26 2cwm s ARG 33 CO 0.43 -1.83 1.19 0.43 0.02 0.00 0.00 175.30 175.55 2cwm n SER 34 N 8.07 2.25 0.17 0.23 7.64 -1.26 -4.80 113.62 125.93 2cwm n SER 34 Ca -0.01 1.19 0.02 0.00 1.01 0.00 0.00 58.87 61.09 2cwm n SER 34 Cb 0.47 -1.42 0.32 0.00 -1.01 0.00 0.00 64.21 62.56 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 2.33 0.00 -2.66 1.43 1.79 -1.23 -3.44 116.57 114.79 2cwm h LYS 35 Ca -0.44 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 57.92 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 0.62 0.44 -0.18 0.21 -1.08 0.00 0.00 179.45 179.45 2cwm s LYS 36 N -3.92 0.56 0.15 3.15 2.47 -1.22 -5.01 119.74 115.93 2cwm s LYS 36 Ca -0.02 0.53 0.03 0.00 -1.56 0.00 0.00 55.97 54.95 2cwm s LYS 36 Cb 0.13 0.27 -0.04 0.00 -1.46 0.00 0.00 37.83 36.73 2cwm s LYS 36 CO 0.72 -0.09 -0.05 0.95 0.16 0.00 0.00 175.35 177.04 2cwm s THR 37 N 0.02 0.89 0.02 3.43 -4.23 -1.26 -0.48 115.64 114.04 2cwm s THR 37 Ca -0.02 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2cwm s THR 37 Cb -0.03 -1.93 -0.02 0.00 1.34 0.00 0.00 72.50 71.86 2cwm s THR 37 CO 0.01 -0.67 -0.05 0.00 -0.54 0.00 0.00 174.62 173.38 2cwm s ALA 38 N -3.51 0.31 0.26 3.99 0.00 -0.02 -4.98 121.76 117.82 2cwm s ALA 38 Ca 0.18 -0.57 -0.31 0.00 0.00 0.00 0.00 51.96 51.27 2cwm s ALA 38 Cb 0.05 0.07 -0.12 0.00 0.00 0.00 0.00 23.12 23.11 2cwm s ALA 38 CO 0.01 -0.07 1.56 1.17 0.00 0.00 0.00 175.76 178.43 2cwm n LYS 39 N 1.81 2.52 -3.91 0.00 4.81 -1.26 -0.95 118.16 121.17 2cwm n LYS 39 Ca -0.21 0.90 -0.20 0.00 -0.87 0.00 0.00 58.31 57.92 2cwm n LYS 39 Cb 0.56 -2.66 -0.17 0.00 0.02 0.00 0.00 35.03 32.78 2cwm n LYS 39 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 2cwm s TRP 40 N 0.16 0.51 -0.55 5.64 -0.00 0.43 -4.74 118.94 120.38 2cwm s TRP 40 Ca 0.67 -0.08 -0.20 0.00 -0.00 0.00 0.00 56.10 56.49 2cwm s TRP 40 Cb -0.54 -0.60 0.07 0.00 -0.00 0.00 0.00 33.47 32.39 2cwm s TRP 40 CO 0.46 -0.21 0.73 1.21 -0.00 0.00 0.00 176.95 179.14 2cwm s ASN 41 N 1.40 6.22 0.09 5.86 2.47 -1.26 -4.01 114.94 125.71 2cwm s ASN 41 Ca -0.04 -0.98 -0.30 0.00 0.42 0.00 0.00 52.86 51.95 2cwm s ASN 41 Cb -0.13 -2.33 -0.05 0.00 -1.45 0.00 0.00 41.25 37.29 2cwm s ASN 41 CO -0.03 -1.06 1.04 -0.32 -3.72 0.00 0.00 177.10 173.02 2cwm s MET 42 N 2.98 4.59 -0.56 0.43 -2.45 -1.26 -4.98 119.30 118.05 2cwm s MET 42 Ca 0.17 1.56 -0.16 0.00 -1.25 0.00 0.00 55.69 56.01 2cwm s MET 42 Cb -0.19 -3.37 0.13 0.00 1.25 0.00 0.00 34.83 32.65 2cwm s MET 42 CO 0.11 0.02 0.55 -0.65 1.05 0.00 0.00 175.02 176.11 2cwm s GLN 43 N 0.38 3.03 -0.06 4.11 -0.21 -1.26 -5.02 119.66 120.62 2cwm s GLN 43 Ca 0.51 -1.67 -0.36 0.00 0.02 0.00 0.00 55.36 53.86 2cwm s GLN 43 Cb -0.25 -4.30 -0.14 0.00 1.00 0.00 0.00 33.01 29.32 2cwm s GLN 43 CO 0.30 -1.37 1.71 -1.71 -2.12 0.00 0.00 175.29 172.10 2cwm n ASN 44 N 5.41 2.84 0.00 5.90 4.05 -1.26 -1.30 115.26 130.90 2cwm n ASN 44 Ca -0.12 1.04 0.00 0.00 0.45 0.00 0.00 54.58 55.95 2cwm n ASN 44 Cb 0.41 -1.30 0.00 0.00 1.23 0.00 0.00 39.78 40.12 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 3.88 1.16 3.92 8.20 0.00 0.90 -4.97 105.19 118.28 2cwm n GLY 45 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.05 3.36 -0.32 1.61 -0.14 -0.42 -4.93 119.74 118.85 2cwm s LYS 46 Ca 0.00 -0.63 -0.22 0.00 -1.36 0.00 0.00 55.97 53.77 2cwm s LYS 46 Cb 0.00 -2.92 -0.00 0.00 -1.68 0.00 0.00 37.83 33.23 2cwm s LYS 46 CO 0.00 0.52 0.69 0.08 -0.76 0.00 0.00 175.35 175.88 2cwm s VAL 47 N -1.73 4.86 0.37 3.17 1.01 -1.26 -4.15 120.40 122.68 2cwm s VAL 47 Ca 0.34 0.89 0.04 0.00 0.00 0.00 0.00 61.98 63.25 2cwm s VAL 47 Cb -0.11 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 2cwm s VAL 47 CO 0.28 -0.24 0.54 -0.83 0.00 0.00 0.00 175.10 174.85 2cwm s GLY 48 N 1.69 1.56 -0.02 4.51 0.00 0.58 -4.28 107.32 111.37 2cwm s GLY 48 Ca 0.28 -1.28 0.03 0.00 0.00 0.00 0.00 44.72 43.74 2cwm s GLY 48 CO 0.13 -1.17 -0.09 -1.59 0.00 0.00 0.00 173.10 170.39 2cwm s THR 49 N -2.32 0.73 -0.06 0.90 2.01 -0.22 -1.35 115.64 115.33 2cwm s THR 49 Ca 0.46 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 62.15 2cwm s THR 49 Cb -0.10 -0.63 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 2cwm s THR 49 CO 0.34 0.22 -0.23 0.00 -0.69 0.00 0.00 174.62 174.25 2cwm s ALA 50 N -0.02 2.02 -0.03 7.40 0.00 0.10 -0.71 121.76 130.52 2cwm s ALA 50 Ca 0.01 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.05 2cwm s ALA 50 Cb -0.06 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 2cwm s ALA 50 CO -0.00 0.38 -0.18 -1.01 0.00 0.00 0.00 175.76 174.95 2cwm s HIS 51 N -0.09 1.72 -0.03 0.00 3.76 -0.24 -1.21 115.29 119.22 2cwm s HIS 51 Ca -0.05 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.47 2cwm s HIS 51 Cb -0.13 -1.14 0.00 0.00 1.11 0.00 0.00 32.58 32.42 2cwm s HIS 51 CO 0.04 -0.10 -0.08 0.42 -0.85 0.00 0.00 174.74 174.16 2cwm s ILE 52 N -0.19 0.74 -0.06 0.60 1.09 0.79 -1.13 121.20 123.05 2cwm s ILE 52 Ca 0.01 -0.34 -0.03 0.00 -1.10 0.00 0.00 60.65 59.20 2cwm s ILE 52 Cb -0.10 -0.67 0.03 0.00 -1.06 0.00 0.00 42.46 40.67 2cwm s ILE 52 CO 0.01 0.24 0.12 -0.63 -0.10 0.00 0.00 174.94 174.58 2cwm s ILE 53 N 0.21 -0.04 -0.03 2.92 1.01 -0.16 -0.98 121.20 124.13 2cwm s ILE 53 Ca -0.03 0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.70 2cwm s ILE 53 Cb -0.08 -0.21 0.01 0.00 0.01 0.00 0.00 42.46 42.19 2cwm s ILE 53 CO 0.00 0.07 0.17 -0.47 0.00 0.00 0.00 174.94 174.71 2cwm s TYR 54 N 1.01 -0.08 0.06 3.97 6.14 -0.68 -1.07 117.35 126.69 2cwm s TYR 54 Ca -0.08 0.17 -0.05 0.00 0.64 0.00 0.00 57.07 57.75 2cwm s TYR 54 Cb -0.10 0.01 -0.02 0.00 0.42 0.00 0.00 41.96 42.27 2cwm s TYR 54 CO -0.05 -0.22 0.09 0.54 0.64 0.00 0.00 175.55 176.56 2cwm s ASN 55 N -0.76 0.26 0.00 4.32 2.20 -1.26 -1.26 114.94 118.45 2cwm s ASN 55 Ca -0.08 -0.74 0.26 0.00 -0.94 0.00 0.00 52.86 51.36 2cwm s ASN 55 Cb -0.05 0.26 1.40 0.00 -2.00 0.00 0.00 41.25 40.86 2cwm s ASN 55 CO 0.01 -0.62 1.90 -1.54 -2.94 0.00 0.00 177.10 173.91 2cwm n SER 56 N 0.23 0.00 -0.08 3.54 3.41 0.62 -0.98 113.62 120.36 2cwm n SER 56 Ca -0.16 -0.31 -0.08 0.00 -0.26 0.00 0.00 58.87 58.06 2cwm n SER 56 Cb 0.61 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 2cwm n SER 56 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2cwm n VAL 57 N -1.20 1.44 0.19 -3.33 0.31 -1.26 -4.31 118.33 110.17 2cwm n VAL 57 Ca 0.15 0.17 0.05 0.00 -0.01 0.00 0.00 64.34 64.70 2cwm n VAL 57 Cb 0.17 -2.33 0.39 0.00 -0.91 0.00 0.00 33.84 31.15 2cwm n VAL 57 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2cwm h GLY 58 N -1.00 0.00 -6.24 2.92 0.00 -1.98 -3.47 103.07 93.30 2cwm h GLY 58 Ca -0.06 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.83 2cwm h GLY 58 CO -0.04 0.00 -0.87 0.28 0.00 0.00 0.00 176.54 175.91 2cwm n LYS 59 N -3.73 -3.51 -3.65 4.80 5.02 -0.16 -4.92 118.16 112.01 2cwm n LYS 59 Ca -0.01 0.52 -0.22 0.00 -2.02 0.00 0.00 58.31 56.58 2cwm n LYS 59 Cb 0.45 -4.76 -0.17 0.00 -0.02 0.00 0.00 35.03 30.53 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 -6.13 -0.02 -0.23 1.97 3.52 -1.26 -1.84 118.95 114.97 2cwm s ARG 60 Ca 0.11 0.25 -0.16 0.00 -0.13 0.00 0.00 55.73 55.79 2cwm s ARG 60 Cb -0.04 -0.92 -0.04 0.00 -1.56 0.00 0.00 34.95 32.40 2cwm s ARG 60 CO 0.85 -0.44 0.43 -1.17 -0.81 0.00 0.00 175.30 174.15 2cwm s LEU 61 N 2.17 4.11 0.05 -0.88 2.96 0.61 -4.38 118.68 123.32 2cwm s LEU 61 Ca 0.04 0.49 0.08 0.00 -0.22 0.00 0.00 54.13 54.51 2cwm s LEU 61 Cb -0.13 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.98 2cwm s LEU 61 CO -0.05 -0.15 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.17 2cwm s SER 62 N 1.27 2.54 0.00 3.68 0.01 -0.24 -0.28 113.70 120.69 2cwm s SER 62 Ca 0.19 -0.55 -0.01 0.00 1.31 0.00 0.00 55.95 56.89 2cwm s SER 62 Cb -0.15 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 2cwm s SER 62 CO 0.09 0.15 0.00 0.00 0.41 0.00 0.00 173.24 173.89 2cwm s ALA 63 N -0.85 0.01 -0.00 1.44 0.00 0.26 -0.98 121.76 121.63 2cwm s ALA 63 Ca 0.08 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.84 2cwm s ALA 63 Cb -0.09 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 2cwm s ALA 63 CO 0.02 -0.08 -0.08 0.08 0.00 0.00 0.00 175.76 175.70 2cwm s VAL 64 N -0.66 0.61 -0.07 0.00 1.01 -0.29 -1.13 120.40 119.88 2cwm s VAL 64 Ca -0.07 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.58 2cwm s VAL 64 Cb -0.05 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.81 2cwm s VAL 64 CO -0.00 0.15 -0.19 -0.69 0.00 0.00 0.00 175.10 174.37 2cwm s VAL 65 N -0.23 1.63 0.10 2.92 1.01 -0.11 -1.08 120.40 124.64 2cwm s VAL 65 Ca 0.03 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 2cwm s VAL 65 Cb -0.03 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 2cwm s VAL 65 CO -0.00 0.46 0.07 -0.94 0.00 0.00 0.00 175.10 174.69 2cwm s SER 66 N 0.26 0.32 0.31 3.32 1.04 0.12 -0.54 113.70 118.52 2cwm s SER 66 Ca -0.11 -1.04 0.05 0.00 0.48 0.00 0.00 55.95 55.33 2cwm s SER 66 Cb -0.15 0.28 -0.06 0.00 0.10 0.00 0.00 66.02 66.19 2cwm s SER 66 CO 0.05 -0.70 0.01 -0.31 0.98 0.00 0.00 173.24 173.27 2cwm s TYR 67 N -3.98 1.96 0.56 5.02 2.02 -0.40 -1.06 117.35 121.49 2cwm s TYR 67 Ca 0.15 -0.86 0.37 0.00 -0.37 0.00 0.00 57.07 56.36 2cwm s TYR 67 Cb 0.07 -1.23 2.02 0.00 -0.40 0.00 0.00 41.96 42.42 2cwm s TYR 67 CO -0.04 0.12 2.27 -1.35 -1.57 0.00 0.00 175.55 174.97 2cwm h PRO 68 N 2.17 0.00 0.00 -1.71 0.11 -1.89 -1.42 132.00 129.27 2cwm h PRO 68 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 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 0.69 0.02 0.00 0.27 -0.21 0.00 0.00 178.00 178.77 2cwm n ASN 69 N -3.41 0.15 0.00 -2.05 2.04 -1.26 -4.89 115.26 105.84 2cwm n ASN 69 Ca -0.03 0.52 0.00 0.00 -0.44 0.00 0.00 54.58 54.64 2cwm n ASN 69 Cb 0.12 -0.56 0.00 0.00 -2.53 0.00 0.00 39.78 36.81 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 0.87 1.53 3.76 4.83 0.00 -0.53 -5.07 105.19 110.57 2cwm n GLY 70 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.82 6.99 -0.01 1.61 3.68 -1.26 -4.81 116.67 121.05 2cwm s ASP 71 Ca 0.00 2.44 -0.11 0.00 2.13 0.00 0.00 52.55 57.01 2cwm s ASP 71 Cb 0.00 -2.63 0.01 0.00 -1.45 0.00 0.00 42.92 38.86 2cwm s ASP 71 CO 0.00 -0.39 0.23 -0.94 0.13 0.00 0.00 175.17 174.20 2cwm s SER 72 N -0.35 -0.10 0.05 -0.34 1.04 -1.26 -1.27 113.70 111.46 2cwm s SER 72 Ca 0.50 -0.01 0.07 0.00 0.48 0.00 0.00 55.95 56.99 2cwm s SER 72 Cb -0.36 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 2cwm s SER 72 CO 0.44 -0.39 -0.20 0.00 0.98 0.00 0.00 173.24 174.07 2cwm s ALA 73 N -1.24 1.70 0.05 5.32 0.00 0.30 -4.98 121.76 122.90 2cwm s ALA 73 Ca -0.13 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 50.82 2cwm s ALA 73 Cb -0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 2cwm s ALA 73 CO 0.03 0.37 -0.12 0.99 0.00 0.00 0.00 175.76 177.03 2cwm s THR 74 N -0.84 0.96 -0.01 0.00 2.01 -1.26 -0.94 115.64 115.55 2cwm s THR 74 Ca 0.07 -1.06 -0.02 0.00 0.31 0.00 0.00 61.69 60.98 2cwm s THR 74 Cb -0.09 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.51 2cwm s THR 74 CO 0.02 -0.13 0.06 0.54 -0.69 0.00 0.00 174.62 174.41 2cwm s VAL 75 N -1.03 0.02 0.01 3.82 0.11 -0.28 -4.67 120.40 118.38 2cwm s VAL 75 Ca -0.02 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 58.83 2cwm s VAL 75 Cb -0.09 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.60 2cwm s VAL 75 CO 0.01 -0.11 -0.02 -0.44 -3.33 0.00 0.00 175.10 171.22 2cwm s SER 76 N -0.32 0.12 -0.05 3.54 0.01 -1.26 -0.58 113.70 115.17 2cwm s SER 76 Ca -0.04 -0.26 -0.02 0.00 1.31 0.00 0.00 55.95 56.94 2cwm s SER 76 Cb -0.03 0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.29 2cwm s SER 76 CO 0.00 -0.15 0.12 -0.47 0.41 0.00 0.00 173.24 173.15 2cwm s TYR 77 N -0.75 -0.12 -0.29 2.43 5.04 0.61 -4.96 117.35 119.32 2cwm s TYR 77 Ca -0.08 0.39 -0.28 0.00 -2.44 0.00 0.00 57.07 54.66 2cwm s TYR 77 Cb -0.05 -0.09 0.01 0.00 0.35 0.00 0.00 41.96 42.18 2cwm s TYR 77 CO -0.01 -0.13 0.99 -0.51 -1.34 0.00 0.00 175.55 174.55 2cwm s ASP 78 N 0.97 6.91 -0.23 4.32 1.01 -1.26 -0.29 116.67 128.11 2cwm s ASP 78 Ca -0.08 1.06 -0.26 0.00 0.71 0.00 0.00 52.55 53.98 2cwm s ASP 78 Cb -0.10 -2.51 0.08 0.00 1.01 0.00 0.00 42.92 41.41 2cwm s ASP 78 CO -0.04 -0.74 0.79 0.54 0.21 0.00 0.00 175.17 175.92 2cwm s VAL 79 N 3.33 0.00 -0.48 -1.27 0.11 -0.77 -4.99 120.40 116.33 2cwm s VAL 79 Ca 0.42 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.30 2cwm s VAL 79 Cb -0.14 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.79 2cwm s VAL 79 CO 0.12 0.00 0.46 -0.62 -3.33 0.00 0.00 175.10 171.72 2cwm s ASP 80 N -0.02 6.17 0.44 3.54 -1.08 -1.26 -4.21 116.67 120.25 2cwm s ASP 80 Ca -0.02 -1.25 0.30 0.00 -0.52 0.00 0.00 52.55 51.07 2cwm s ASP 80 Cb -0.04 -2.21 1.19 0.00 -1.46 0.00 0.00 42.92 40.40 2cwm s ASP 80 CO 0.01 -0.72 1.88 -0.07 0.52 0.00 0.00 175.17 176.79 2cwm h LEU 81 N 9.00 0.00 -1.91 -1.34 3.38 -1.96 -2.01 115.31 120.48 2cwm h LEU 81 Ca -0.28 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.71 2cwm h LEU 81 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2cwm h LEU 81 CO 0.91 0.00 0.12 0.44 0.09 0.00 0.00 178.44 180.00 2cwm h ASP 82 N 0.00 0.11 -0.05 -0.43 5.19 -1.91 0.76 116.42 120.09 2cwm h ASP 82 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2cwm h ASP 82 Cb 0.49 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.97 2cwm h ASP 82 CO 0.00 0.07 0.00 0.59 -3.12 0.00 0.00 179.24 176.78 2cwm n ASN 83 N -4.50 0.88 0.00 6.45 3.02 -0.75 -4.49 115.26 115.86 2cwm n ASN 83 Ca 0.00 -1.42 0.00 0.00 -0.03 0.00 0.00 54.58 53.14 2cwm n ASN 83 Cb 0.17 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 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 -0.26 0.00 -3.22 2.41 3.14 -0.29 -5.06 118.33 115.04 2cwm n VAL 84 Ca 0.18 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.25 2cwm n VAL 84 Cb 0.23 -0.87 -0.05 0.00 -1.06 0.00 0.00 33.84 32.09 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 -5.37 4.05 0.74 6.55 1.43 0.11 -4.98 118.68 121.21 2cwm s LEU 85 Ca 0.00 1.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.99 2cwm s LEU 85 Cb 0.00 -3.81 0.03 0.00 0.03 0.00 0.00 46.19 42.45 2cwm s LEU 85 CO 0.00 -0.20 1.08 -2.16 0.23 0.00 0.00 176.35 175.30 2cwm s PRO 86 N -3.22 2.56 0.25 1.29 0.04 -1.26 -4.83 135.00 129.83 2cwm s PRO 86 Ca 0.49 1.09 -0.03 0.00 0.04 0.00 0.00 61.00 62.59 2cwm s PRO 86 Cb -0.11 -1.94 0.44 0.00 0.04 0.00 0.00 34.50 32.93 2cwm s PRO 86 CO 0.24 -1.40 1.79 1.49 0.04 0.00 0.00 177.00 179.16 2cwm h GLU 87 N -0.90 0.70 -5.78 4.56 4.81 -1.95 -3.40 114.58 112.61 2cwm h GLU 87 Ca -0.44 -0.04 -0.67 0.00 -0.13 0.00 0.00 59.36 58.09 2cwm h GLU 87 Cb 1.22 -0.16 -0.19 0.00 0.63 0.00 0.00 28.75 30.26 2cwm h GLU 87 CO 0.54 0.46 -0.67 -1.58 -0.73 0.00 0.00 179.01 177.03 2cwm s TRP 88 N -6.01 3.02 0.20 0.92 0.52 -1.26 -1.01 118.94 115.32 2cwm s TRP 88 Ca -0.12 -0.06 0.01 0.00 0.02 0.00 0.00 56.10 55.95 2cwm s TRP 88 Cb 0.20 -1.82 -0.05 0.00 -1.15 0.00 0.00 33.47 30.65 2cwm s TRP 88 CO 0.78 0.23 0.06 0.14 0.02 0.00 0.00 176.95 178.17 2cwm s VAL 89 N -0.38 0.48 0.22 4.03 -7.23 -0.18 -4.21 120.40 113.14 2cwm s VAL 89 Ca 0.06 -1.98 0.08 0.00 -1.81 0.00 0.00 61.98 58.33 2cwm s VAL 89 Cb -0.12 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 2cwm s VAL 89 CO 0.02 -0.26 0.05 -0.13 -0.31 0.00 0.00 175.10 174.47 2cwm s ARG 90 N -4.00 2.51 0.12 4.82 0.52 0.06 -0.11 118.95 122.87 2cwm s ARG 90 Ca 0.30 -1.19 0.10 0.00 -0.52 0.00 0.00 55.73 54.43 2cwm s ARG 90 Cb 0.07 -2.35 -0.04 0.00 0.52 0.00 0.00 34.95 33.15 2cwm s ARG 90 CO 0.08 0.41 -0.24 0.14 0.02 0.00 0.00 175.30 175.71 2cwm s VAL 91 N -2.02 2.42 0.24 3.52 -7.23 -1.26 -1.05 120.40 115.01 2cwm s VAL 91 Ca 0.30 -1.66 -0.21 0.00 -1.81 0.00 0.00 61.98 58.60 2cwm s VAL 91 Cb -0.08 -2.07 0.06 0.00 0.56 0.00 0.00 36.38 34.84 2cwm s VAL 91 CO 0.21 0.11 0.89 -0.83 -0.31 0.00 0.00 175.10 175.17 2cwm s GLY 92 N -2.02 0.01 0.05 2.32 0.00 0.11 -0.97 107.32 106.82 2cwm s GLY 92 Ca 0.15 -0.26 0.09 0.00 0.00 0.00 0.00 44.72 44.70 2cwm s GLY 92 CO 0.07 0.45 -0.26 1.08 0.00 0.00 0.00 173.10 174.43 2cwm s LEU 93 N -3.07 2.17 -0.00 0.66 1.43 -0.02 -0.63 118.68 119.22 2cwm s LEU 93 Ca 0.15 -0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 2cwm s LEU 93 Cb -0.03 -1.26 -0.00 0.00 0.03 0.00 0.00 46.19 44.92 2cwm s LEU 93 CO 0.06 0.25 0.06 -0.55 0.23 0.00 0.00 176.35 176.40 2cwm s SER 94 N -1.26 0.06 0.14 2.29 0.15 0.16 -1.17 113.70 114.08 2cwm s SER 94 Ca 0.11 -0.18 -0.17 0.00 0.70 0.00 0.00 55.95 56.42 2cwm s SER 94 Cb -0.10 0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.40 2cwm s SER 94 CO 0.02 -0.23 0.43 0.00 1.20 0.00 0.00 173.24 174.67 2cwm s ALA 95 N -0.92 -0.94 0.10 5.45 0.00 -0.52 -0.14 121.76 124.78 2cwm s ALA 95 Ca -0.10 -0.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.71 2cwm s ALA 95 Cb -0.06 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 2cwm s ALA 95 CO 0.00 -0.68 0.18 -1.54 0.00 0.00 0.00 175.76 173.72 2cwm s SER 96 N -2.82 0.15 0.18 0.00 1.04 -1.07 -2.09 113.70 109.10 2cwm s SER 96 Ca 0.05 -0.75 0.07 0.00 0.48 0.00 0.00 55.95 55.79 2cwm s SER 96 Cb 0.01 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 2cwm s SER 96 CO -0.10 -0.75 -0.14 0.42 0.98 0.00 0.00 173.24 173.66 2cwm s THR 97 N -3.90 1.57 0.00 2.02 -4.23 0.06 -0.71 115.64 110.45 2cwm s THR 97 Ca 0.08 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 2cwm s THR 97 Cb 0.05 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.95 2cwm s THR 97 CO -0.08 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.01 2cwm n GLY 98 N -0.22 3.10 0.16 3.99 0.00 -1.26 -0.87 105.19 110.09 2cwm n GLY 98 Ca -0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 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 0.03 -9.87 0.99 4.07 -1.98 -0.69 115.31 107.86 2cwm h LEU 99 Ca 0.00 -0.02 -0.53 0.00 0.08 0.00 0.00 57.88 57.42 2cwm h LEU 99 Cb 0.00 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 41.67 2cwm h LEU 99 CO 0.00 0.56 -0.52 -0.31 -1.08 0.00 0.00 178.44 177.10 2cwm s TYR 100 N -3.81 2.78 0.21 1.13 2.02 -1.26 -4.96 117.35 113.46 2cwm s TYR 100 Ca -0.02 -0.34 -0.08 0.00 -0.37 0.00 0.00 57.07 56.26 2cwm s TYR 100 Cb 0.13 -1.65 -0.02 0.00 -0.40 0.00 0.00 41.96 40.02 2cwm s TYR 100 CO 0.75 0.31 0.31 -1.59 -1.57 0.00 0.00 175.55 173.77 2cwm s LYS 101 N -3.88 1.33 -0.08 -0.62 -2.85 -1.24 -4.30 119.74 108.10 2cwm s LYS 101 Ca 0.38 -1.36 -0.30 0.00 -1.00 0.00 0.00 55.97 53.69 2cwm s LYS 101 Cb -0.04 0.38 0.11 0.00 -2.06 0.00 0.00 37.83 36.22 2cwm s LYS 101 CO 0.24 -0.50 0.94 -1.83 0.10 0.00 0.00 175.35 174.29 2cwm s GLU 102 N -4.05 0.72 0.31 1.78 -1.05 -0.99 -3.32 118.70 112.10 2cwm s GLU 102 Ca 0.27 -0.08 -0.29 0.00 -0.15 0.00 0.00 54.97 54.71 2cwm s GLU 102 Cb 0.03 0.33 -0.10 0.00 -0.44 0.00 0.00 34.13 33.95 2cwm s GLU 102 CO 0.08 -0.28 1.34 0.95 0.95 0.00 0.00 175.26 178.30 2cwm s THR 103 N -2.18 2.68 -0.58 1.83 -4.23 0.45 -4.72 115.64 108.89 2cwm s THR 103 Ca 0.02 0.66 0.06 0.00 -1.18 0.00 0.00 61.69 61.25 2cwm s THR 103 Cb -0.01 -3.42 0.29 0.00 1.34 0.00 0.00 72.50 70.71 2cwm s THR 103 CO -0.04 0.15 0.82 0.59 -0.54 0.00 0.00 174.62 175.60 2cwm n ASN 104 N 1.11 3.70 -4.70 3.99 5.03 -1.26 -3.74 115.26 119.39 2cwm n ASN 104 Ca 0.01 -3.48 -0.39 0.00 0.87 0.00 0.00 54.58 51.59 2cwm n ASN 104 Cb 0.41 -0.62 -0.05 0.00 -1.02 0.00 0.00 39.78 38.50 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 -3.27 5.07 -0.21 3.41 2.01 -1.05 -1.95 115.64 119.64 2cwm s THR 105 Ca 0.44 1.25 -0.08 0.00 0.31 0.00 0.00 61.69 63.61 2cwm s THR 105 Cb 0.22 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 2cwm s THR 105 CO -0.08 0.21 0.08 -0.63 -0.69 0.00 0.00 174.62 173.52 2cwm s ILE 106 N 1.18 4.73 -0.11 1.82 -1.09 0.53 -0.38 121.20 127.87 2cwm s ILE 106 Ca 0.32 -0.04 0.20 0.00 -2.23 0.00 0.00 60.65 58.90 2cwm s ILE 106 Cb -0.16 -3.17 -0.25 0.00 -1.58 0.00 0.00 42.46 37.30 2cwm s ILE 106 CO 0.13 0.40 0.47 0.18 -1.23 0.00 0.00 174.94 174.89 2cwm n LEU 107 N 4.09 0.21 -3.50 2.97 4.32 -0.18 -1.08 117.00 123.83 2cwm n LEU 107 Ca -0.16 0.09 -0.13 0.00 -0.02 0.00 0.00 56.01 55.79 2cwm n LEU 107 Cb 0.52 0.15 -0.04 0.00 -1.62 0.00 0.00 43.42 42.43 2cwm n LEU 107 CO 0.34 0.15 0.56 -0.94 -1.22 0.00 0.00 177.39 176.28 2cwm s SER 108 N -5.08 -0.51 -0.19 -1.43 1.04 -1.23 -4.41 113.70 101.90 2cwm s SER 108 Ca -0.07 0.29 -0.10 0.00 0.48 0.00 0.00 55.95 56.56 2cwm s SER 108 Cb 0.10 0.47 0.07 0.00 0.10 0.00 0.00 66.02 66.76 2cwm s SER 108 CO 0.86 -0.65 0.44 0.86 0.98 0.00 0.00 173.24 175.73 2cwm s TRP 109 N -2.32 -0.68 0.07 5.02 -0.00 0.27 -1.40 118.94 119.90 2cwm s TRP 109 Ca -0.02 1.42 0.05 0.00 -0.00 0.00 0.00 56.10 57.54 2cwm s TRP 109 Cb -0.01 0.31 -0.03 0.00 -0.00 0.00 0.00 33.47 33.75 2cwm s TRP 109 CO -0.02 -0.38 -0.13 -1.54 -0.00 0.00 0.00 176.95 174.87 2cwm s SER 110 N 1.61 1.57 -0.07 5.86 1.04 0.94 -0.53 113.70 124.13 2cwm s SER 110 Ca -0.08 -0.63 -0.06 0.00 0.48 0.00 0.00 55.95 55.65 2cwm s SER 110 Cb -0.09 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.02 2cwm s SER 110 CO -0.14 -0.11 0.18 0.12 0.98 0.00 0.00 173.24 174.28 2cwm s PHE 111 N -1.39 -0.20 -0.03 5.02 5.36 -0.29 -1.20 117.98 125.24 2cwm s PHE 111 Ca -0.02 0.49 0.01 0.00 -0.96 0.00 0.00 56.93 56.45 2cwm s PHE 111 Cb -0.09 0.07 0.02 0.00 -0.34 0.00 0.00 43.02 42.67 2cwm s PHE 111 CO 0.02 -0.10 -0.05 0.99 -1.46 0.00 0.00 175.22 174.62 2cwm s THR 112 N 0.11 0.52 0.05 0.12 2.01 0.47 -1.19 115.64 117.73 2cwm s THR 112 Ca -0.00 -0.16 0.08 0.00 0.31 0.00 0.00 61.69 61.92 2cwm s THR 112 Cb -0.01 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 2cwm s THR 112 CO 0.00 0.20 -0.22 -0.94 -0.69 0.00 0.00 174.62 172.97 2cwm s SER 113 N 0.63 2.61 -0.04 3.53 1.04 0.27 -0.77 113.70 120.96 2cwm s SER 113 Ca -0.08 -0.56 -0.03 0.00 0.48 0.00 0.00 55.95 55.76 2cwm s SER 113 Cb -0.12 -0.21 0.02 0.00 0.10 0.00 0.00 66.02 65.81 2cwm s SER 113 CO 0.00 0.17 0.11 -0.54 0.98 0.00 0.00 173.24 173.95 2cwm s LYS 114 N -1.29 0.10 -0.19 4.02 1.02 -0.37 -1.25 119.74 121.78 2cwm s LYS 114 Ca 0.08 0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.29 2cwm s LYS 114 Cb -0.09 -0.04 0.02 0.00 -0.52 0.00 0.00 37.83 37.19 2cwm s LYS 114 CO 0.02 -0.07 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.70 2cwm s LEU 115 N 0.49 2.28 -0.05 3.17 1.43 0.35 -1.45 118.68 124.88 2cwm s LEU 115 Ca -0.04 -0.62 0.04 0.00 -1.03 0.00 0.00 54.13 52.49 2cwm s LEU 115 Cb -0.05 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 2cwm s LEU 115 CO -0.02 -0.01 -0.18 -0.54 0.23 0.00 0.00 176.35 175.83 2cwm s LYS 116 N 1.32 2.53 0.48 1.70 1.02 0.11 -1.36 119.74 125.53 2cwm s LYS 116 Ca 0.05 -0.78 0.02 0.00 0.02 0.00 0.00 55.97 55.29 2cwm s LYS 116 Cb -0.13 -2.30 0.02 0.00 -0.52 0.00 0.00 37.83 34.90 2cwm s LYS 116 CO -0.11 0.53 0.19 0.43 -0.92 0.00 0.00 175.35 175.47 2cwm n SER 117 N 2.58 2.91 -3.77 2.83 7.64 -1.03 0.29 113.62 125.07 2cwm n SER 117 Ca -0.17 -2.85 -0.42 0.00 1.01 0.00 0.00 58.87 56.45 2cwm n SER 117 Cb 0.52 0.13 0.01 0.00 -1.01 0.00 0.00 64.21 63.87 2cwm n SER 117 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2cwm n ASN 118 N -1.58 6.94 0.00 6.43 2.85 -1.26 -4.65 115.26 123.99 2cwm n ASN 118 Ca -0.10 -3.50 0.00 0.00 -0.11 0.00 0.00 54.58 50.87 2cwm n ASN 118 Cb 0.57 -1.25 0.00 0.00 1.24 0.00 0.00 39.78 40.34 2cwm n ASN 118 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2cwm n SER 119 N 0.89 0.00 0.00 1.20 7.64 -1.26 -5.15 113.62 116.94 2cwm n SER 119 Ca 0.40 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.28 2cwm n SER 119 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2cwm n SER 119 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2cwm n THR 120 N 0.00 0.00 -1.45 0.44 -1.04 -1.26 -4.64 114.28 106.33 2cwm n THR 120 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 2cwm n THR 120 Cb 0.00 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 0.00 2.04 -3.05 -1.42 1.44 -1.26 -4.75 115.22 108.22 2cwm n HIS 121 Ca 0.00 -2.14 -0.39 0.00 -2.01 0.00 0.00 57.72 53.18 2cwm n HIS 121 Cb 0.00 -1.27 -0.06 0.00 0.12 0.00 0.00 29.99 28.78 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 -2.44 4.48 -0.21 -1.40 4.04 -1.26 -5.03 118.70 116.87 2cwm s GLU 122 Ca 0.53 1.06 -0.19 0.00 0.04 0.00 0.00 54.97 56.41 2cwm s GLU 122 Cb 0.38 -3.26 0.06 0.00 0.02 0.00 0.00 34.13 31.32 2cwm s GLU 122 CO -0.20 0.57 0.56 0.99 -1.84 0.00 0.00 175.26 175.34 2cwm s THR 123 N -1.05 -0.00 0.01 1.83 2.01 -1.26 -2.46 115.64 114.71 2cwm s THR 123 Ca 0.34 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.29 2cwm s THR 123 Cb -0.22 -0.78 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 2cwm s THR 123 CO 0.24 0.00 0.27 0.20 -0.69 0.00 0.00 174.62 174.64 2cwm s ASN 124 N 0.41 6.49 -0.08 3.53 -0.87 -0.46 -4.99 114.94 118.97 2cwm s ASN 124 Ca -0.01 0.55 -0.22 0.00 -1.57 0.00 0.00 52.86 51.60 2cwm s ASN 124 Cb -0.04 -2.08 0.05 0.00 -0.02 0.00 0.00 41.25 39.15 2cwm s ASN 124 CO -0.01 0.25 0.52 0.00 -2.57 0.00 0.00 177.10 175.29 2cwm s ALA 125 N -1.31 -1.33 -0.06 0.60 0.00 -1.26 -0.50 121.76 117.90 2cwm s ALA 125 Ca 0.28 1.05 0.03 0.00 0.00 0.00 0.00 51.96 53.31 2cwm s ALA 125 Cb -0.13 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.79 2cwm s ALA 125 CO 0.16 -0.30 -0.13 -1.17 0.00 0.00 0.00 175.76 174.32 2cwm s LEU 126 N -0.85 1.71 -0.04 0.00 2.96 -0.38 -4.99 118.68 117.09 2cwm s LEU 126 Ca -0.09 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 2cwm s LEU 126 Cb -0.03 -0.83 0.03 0.00 0.50 0.00 0.00 46.19 45.86 2cwm s LEU 126 CO 0.06 0.06 -0.01 -2.28 -1.32 0.00 0.00 176.35 172.85 2cwm s HIS 127 N 0.52 0.46 0.06 5.38 5.65 -1.26 -0.57 115.29 125.54 2cwm s HIS 127 Ca -0.12 -0.06 0.06 0.00 0.25 0.00 0.00 55.06 55.18 2cwm s HIS 127 Cb -0.15 -0.53 -0.03 0.00 -1.18 0.00 0.00 32.58 30.70 2cwm s HIS 127 CO 0.03 -0.17 -0.15 -0.59 -0.65 0.00 0.00 174.74 173.21 2cwm s PHE 128 N 1.16 1.34 -0.04 3.88 -0.12 -0.33 -5.00 117.98 118.86 2cwm s PHE 128 Ca -0.08 -0.41 0.00 0.00 -0.05 0.00 0.00 56.93 56.39 2cwm s PHE 128 Cb -0.14 -0.77 0.03 0.00 -0.63 0.00 0.00 43.02 41.51 2cwm s PHE 128 CO -0.02 0.07 -0.01 0.54 -0.05 0.00 0.00 175.22 175.76 2cwm s VAL 129 N -1.07 0.30 -0.26 -2.49 0.11 -1.26 -1.13 120.40 114.59 2cwm s VAL 129 Ca 0.01 0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.10 2cwm s VAL 129 Cb -0.09 -0.40 0.02 0.00 -1.53 0.00 0.00 36.38 34.39 2cwm s VAL 129 CO 0.02 0.19 -0.04 -0.36 -3.33 0.00 0.00 175.10 171.58 2cwm s PHE 130 N 1.27 3.08 -0.59 1.54 0.08 0.31 -4.93 117.98 118.75 2cwm s PHE 130 Ca -0.06 -1.50 0.18 0.00 0.12 0.00 0.00 56.93 55.67 2cwm s PHE 130 Cb -0.13 -2.08 -0.22 0.00 -0.57 0.00 0.00 43.02 40.02 2cwm s PHE 130 CO -0.02 -0.71 0.64 0.09 -0.10 0.00 0.00 175.22 175.12 2cwm n ASN 131 N 4.69 0.84 -3.80 1.36 3.02 -1.26 -0.57 115.26 119.54 2cwm n ASN 131 Ca -0.16 -0.64 -0.13 0.00 -0.03 0.00 0.00 54.58 53.61 2cwm n ASN 131 Cb 0.47 1.25 -0.14 0.00 -0.61 0.00 0.00 39.78 40.74 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 -2.83 0.05 0.15 3.52 -1.52 -1.26 -4.67 119.66 113.09 2cwm s GLN 132 Ca 0.03 0.18 -0.06 0.00 -1.95 0.00 0.00 55.36 53.56 2cwm s GLN 132 Cb 0.13 -0.10 -0.06 0.00 -0.22 0.00 0.00 33.01 32.76 2cwm s GLN 132 CO 0.73 -0.09 0.40 -0.06 -0.25 0.00 0.00 175.29 176.02 2cwm s PHE 133 N 0.60 3.48 0.11 0.91 0.40 -0.13 -5.01 117.98 118.35 2cwm s PHE 133 Ca -0.05 0.62 0.03 0.00 -0.60 0.00 0.00 56.93 56.93 2cwm s PHE 133 Cb -0.07 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.37 2cwm s PHE 133 CO -0.02 0.42 0.14 -1.12 0.70 0.00 0.00 175.22 175.33 2cwm s SER 134 N -2.37 5.72 0.17 1.36 0.01 -1.26 -3.92 113.70 113.40 2cwm s SER 134 Ca 0.41 0.00 -0.17 0.00 1.31 0.00 0.00 55.95 57.51 2cwm s SER 134 Cb -0.12 -1.57 0.12 0.00 0.21 0.00 0.00 66.02 64.66 2cwm s SER 134 CO 0.24 0.12 1.23 0.29 0.41 0.00 0.00 173.24 175.53 2cwm n LYS 135 N 0.06 -0.23 -3.60 12.44 4.76 -1.26 -2.97 118.16 127.35 2cwm n LYS 135 Ca -0.08 1.21 -0.33 0.00 -2.87 0.00 0.00 58.31 56.25 2cwm n LYS 135 Cb 0.53 -1.80 -0.07 0.00 -1.84 0.00 0.00 35.03 31.85 2cwm n LYS 135 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2cwm n ASP 136 N -5.12 4.06 -4.52 4.39 2.03 -1.26 -4.66 116.55 111.47 2cwm n ASP 136 Ca 0.06 -3.25 -0.42 0.00 0.52 0.00 0.00 54.79 51.71 2cwm n ASP 136 Cb 0.29 -0.93 -0.03 0.00 -0.72 0.00 0.00 41.12 39.73 2cwm n ASP 136 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2cwm s GLN 137 N -1.77 3.56 0.40 -0.67 2.00 -1.16 -4.83 119.66 117.20 2cwm s GLN 137 Ca 0.30 -1.28 0.28 0.00 -2.00 0.00 0.00 55.36 52.66 2cwm s GLN 137 Cb -0.01 -5.14 1.30 0.00 0.80 0.00 0.00 33.01 29.96 2cwm s GLN 137 CO -0.09 -2.06 1.85 0.87 -0.50 0.00 0.00 175.29 175.37 2cwm h LYS 138 N 9.49 0.00 -0.61 1.67 1.57 -1.94 -1.94 116.57 124.81 2cwm h LYS 138 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2cwm h LYS 138 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 2cwm h LYS 138 CO 1.31 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.79 2cwm n ASP 139 N -2.57 3.63 -4.25 0.86 5.68 -1.26 -4.82 116.55 113.81 2cwm n ASP 139 Ca 0.00 -2.21 -0.29 0.00 -0.50 0.00 0.00 54.79 51.79 2cwm n ASP 139 Cb 0.19 -0.47 -0.16 0.00 -1.14 0.00 0.00 41.12 39.54 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 -1.34 2.04 -0.44 -2.12 1.43 -0.73 -0.97 118.68 116.54 2cwm s LEU 140 Ca 0.41 -0.44 -0.18 0.00 -1.03 0.00 0.00 54.13 52.89 2cwm s LEU 140 Cb 0.24 -1.22 0.03 0.00 0.03 0.00 0.00 46.19 45.27 2cwm s LEU 140 CO 0.23 0.27 0.48 -0.63 0.23 0.00 0.00 176.35 176.92 2cwm s ILE 141 N -0.40 5.05 0.01 -0.59 1.01 0.52 -4.89 121.20 121.90 2cwm s ILE 141 Ca 0.05 -0.45 -0.20 0.00 0.00 0.00 0.00 60.65 60.05 2cwm s ILE 141 Cb -0.10 -4.11 -0.06 0.00 0.01 0.00 0.00 42.46 38.20 2cwm s ILE 141 CO 0.00 -0.53 0.57 -0.76 0.00 0.00 0.00 174.94 174.23 2cwm s LEU 142 N 2.20 4.44 0.10 2.97 1.43 -1.26 -0.78 118.68 127.78 2cwm s LEU 142 Ca 0.12 1.16 0.07 0.00 -1.03 0.00 0.00 54.13 54.45 2cwm s LEU 142 Cb -0.18 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.12 2cwm s LEU 142 CO 0.13 0.15 -0.18 -1.10 0.23 0.00 0.00 176.35 175.58 2cwm s GLN 143 N -0.42 1.04 7.11 1.70 -0.21 0.12 -4.98 119.66 124.02 2cwm s GLN 143 Ca 0.30 -1.15 0.00 0.00 0.02 0.00 0.00 55.36 54.53 2cwm s GLN 143 Cb -0.18 -1.15 0.00 0.00 1.00 0.00 0.00 33.01 32.68 2cwm s GLN 143 CO 0.17 0.25 0.00 0.41 -2.12 0.00 0.00 175.29 174.00 2cwm n GLY 144 N 0.96 3.07 0.15 3.09 0.00 -1.26 -1.58 105.19 109.62 2cwm n GLY 144 Ca -0.19 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 3.94 0.46 -4.76 1.61 8.00 0.20 -4.92 116.55 121.08 2cwm n ASP 145 Ca 0.00 -1.33 -0.41 0.00 0.71 0.00 0.00 54.79 53.76 2cwm n ASP 145 Cb 0.00 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 2cwm n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cwm s ALA 146 N -1.97 3.51 0.05 2.24 0.00 -1.04 -4.35 121.76 120.21 2cwm s ALA 146 Ca 0.37 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.54 2cwm s ALA 146 Cb 0.18 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 2cwm s ALA 146 CO 0.29 -0.59 -0.05 0.95 0.00 0.00 0.00 175.76 176.37 2cwm s THR 147 N -0.72 0.38 0.25 0.00 -4.23 -0.39 -4.70 115.64 106.24 2cwm s THR 147 Ca 0.52 -1.51 0.10 0.00 -1.18 0.00 0.00 61.69 59.61 2cwm s THR 147 Cb -0.39 -1.12 -0.04 0.00 1.34 0.00 0.00 72.50 72.29 2cwm s THR 147 CO 0.47 -0.74 -0.03 0.42 -0.54 0.00 0.00 174.62 174.20 2cwm s THR 148 N -2.83 3.34 0.00 3.99 -4.23 -1.26 -0.51 115.64 114.14 2cwm s THR 148 Ca 0.00 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 2cwm s THR 148 Cb -0.00 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 71.08 2cwm s THR 148 CO -0.05 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 2cwm n GLY 149 N -0.68 3.47 0.00 3.99 0.00 -1.02 -4.49 105.19 106.46 2cwm n GLY 149 Ca -0.07 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2cwm n GLY 149 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2cwm n THR 150 N -1.20 0.00 1.10 2.61 -1.04 -1.26 -3.56 114.28 110.92 2cwm n THR 150 Ca 0.00 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.10 2cwm n THR 150 Cb 0.00 0.00 0.54 0.00 -1.82 0.00 0.00 70.33 69.05 2cwm n THR 150 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2cwm n ASP 151 N -0.54 0.00 0.00 8.00 5.75 -1.26 -4.82 116.55 123.68 2cwm n ASP 151 Ca 0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 54.79 54.39 2cwm n ASP 151 Cb 0.00 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 2cwm n ASP 151 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2cwm n GLY 152 N 0.24 0.67 3.60 6.12 0.00 -1.23 -4.98 105.19 109.61 2cwm n GLY 152 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.02 4.30 -0.32 1.61 0.01 -1.26 -0.95 114.94 116.31 2cwm s ASN 153 Ca 0.00 -0.75 -0.09 0.00 -0.71 0.00 0.00 52.86 51.32 2cwm s ASN 153 Cb 0.00 -0.70 0.00 0.00 0.41 0.00 0.00 41.25 40.96 2cwm s ASN 153 CO 0.00 0.01 0.14 -0.22 -1.51 0.00 0.00 177.10 175.52 2cwm s LEU 154 N -3.63 4.13 -0.45 0.60 2.96 -0.24 -2.43 118.68 119.61 2cwm s LEU 154 Ca 0.31 -0.66 -0.17 0.00 -0.22 0.00 0.00 54.13 53.39 2cwm s LEU 154 Cb -0.06 -1.97 0.04 0.00 0.50 0.00 0.00 46.19 44.70 2cwm s LEU 154 CO 0.19 -0.22 0.47 -1.61 -1.32 0.00 0.00 176.35 173.85 2cwm s GLU 155 N 1.57 3.07 0.19 1.98 0.41 0.33 -0.35 118.70 125.91 2cwm s GLU 155 Ca 0.03 -0.92 -0.03 0.00 -0.41 0.00 0.00 54.97 53.65 2cwm s GLU 155 Cb -0.17 -4.03 0.12 0.00 -1.78 0.00 0.00 34.13 28.27 2cwm s GLU 155 CO 0.05 -0.97 1.52 -0.07 -0.49 0.00 0.00 175.26 175.30 2cwm h LEU 156 N 9.13 0.62 -9.58 1.80 3.38 -1.65 -1.02 115.31 117.98 2cwm h LEU 156 Ca -0.27 -0.32 -0.58 0.00 0.09 0.00 0.00 57.88 56.79 2cwm h LEU 156 Cb 1.11 -0.18 -0.11 0.00 0.09 0.00 0.00 40.66 41.57 2cwm h LEU 156 CO 0.85 1.03 -0.63 0.42 0.09 0.00 0.00 178.44 180.20 2cwm s THR 157 N -4.03 2.69 0.25 0.22 -4.23 -1.26 -2.74 115.64 106.53 2cwm s THR 157 Ca -0.07 -1.99 -0.30 0.00 -1.18 0.00 0.00 61.69 58.15 2cwm s THR 157 Cb 0.11 -2.78 -0.10 0.00 1.34 0.00 0.00 72.50 71.08 2cwm s THR 157 CO 0.84 -0.22 1.38 -0.60 -0.54 0.00 0.00 174.62 175.48 2cwm s ARG 158 N -3.70 4.31 -0.07 3.99 6.06 -1.26 -4.77 118.95 123.51 2cwm s ARG 158 Ca 0.34 2.22 0.03 0.00 -2.50 0.00 0.00 55.73 55.82 2cwm s ARG 158 Cb -0.01 -3.13 0.01 0.00 0.06 0.00 0.00 34.95 31.88 2cwm s ARG 158 CO 0.19 -0.34 -0.16 0.08 -2.50 0.00 0.00 175.30 172.57 2cwm s VAL 159 N -0.14 1.39 0.99 7.11 1.01 -1.26 -1.57 120.40 127.93 2cwm s VAL 159 Ca 0.57 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 2cwm s VAL 159 Cb -0.40 -1.23 0.18 0.00 0.00 0.00 0.00 36.38 34.93 2cwm s VAL 159 CO 0.43 0.41 1.11 -0.94 0.00 0.00 0.00 175.10 176.11 2cwm s SER 160 N 0.48 2.72 0.43 3.32 1.04 0.87 -4.89 113.70 117.68 2cwm s SER 160 Ca -0.14 1.08 0.10 0.00 0.48 0.00 0.00 55.95 57.47 2cwm s SER 160 Cb -0.15 -1.69 0.95 0.00 0.10 0.00 0.00 66.02 65.22 2cwm s SER 160 CO 0.05 -3.06 2.04 0.77 0.98 0.00 0.00 173.24 174.02 2cwm h SER 161 N -1.84 0.26 0.00 7.02 4.64 -2.01 -0.48 113.55 121.14 2cwm h SER 161 Ca -0.53 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 2cwm h SER 161 Cb 1.33 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2cwm h SER 161 CO 0.58 0.26 0.00 -0.46 -0.87 0.00 0.00 176.83 176.34 2cwm n ASN 162 N -4.43 0.00 0.00 4.97 6.94 -1.26 -4.87 115.26 116.60 2cwm n ASN 162 Ca 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 54.58 53.59 2cwm n ASN 162 Cb 0.13 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 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 0.59 1.68 3.81 4.83 0.00 -0.19 -5.07 105.19 110.84 2cwm n GLY 163 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2cwm n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cwm s SER 164 N -1.57 7.13 0.75 1.61 1.04 -1.25 -4.63 113.70 116.78 2cwm s SER 164 Ca 0.00 1.40 -0.12 0.00 0.48 0.00 0.00 55.95 57.71 2cwm s SER 164 Cb 0.00 -2.41 0.05 0.00 0.10 0.00 0.00 66.02 63.76 2cwm s SER 164 CO 0.00 0.16 1.12 -2.16 0.98 0.00 0.00 173.24 173.34 2cwm s PRO 165 N -1.47 2.25 0.15 4.02 0.04 -1.26 -0.09 135.00 138.63 2cwm s PRO 165 Ca 0.36 1.35 0.08 0.00 0.04 0.00 0.00 61.00 62.84 2cwm s PRO 165 Cb -0.19 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2cwm s PRO 165 CO 0.22 -1.67 -0.10 -0.65 0.04 0.00 0.00 177.00 174.83 2cwm s GLN 166 N -4.50 2.06 0.94 4.56 -1.52 -0.61 -4.79 119.66 115.79 2cwm s GLN 166 Ca 0.65 -1.18 -0.15 0.00 -1.95 0.00 0.00 55.36 52.74 2cwm s GLN 166 Cb -0.20 -2.21 0.17 0.00 -0.22 0.00 0.00 33.01 30.55 2cwm s GLN 166 CO 0.50 0.46 1.23 0.20 -0.25 0.00 0.00 175.29 177.44 2cwm s GLY 167 N -2.57 1.68 -1.43 3.09 0.00 -1.26 -4.38 107.32 102.45 2cwm s GLY 167 Ca 0.23 -0.92 -0.05 0.00 0.00 0.00 0.00 44.72 43.98 2cwm s GLY 167 CO 0.14 -0.25 0.09 -1.14 0.00 0.00 0.00 173.10 171.95 2cwm n SER 168 N -3.75 0.21 -4.46 1.64 3.41 -0.26 -4.86 113.62 105.55 2cwm n SER 168 Ca 0.12 -1.23 -0.30 0.00 -0.26 0.00 0.00 58.87 57.20 2cwm n SER 168 Cb 0.60 -1.51 -0.12 0.00 -0.26 0.00 0.00 64.21 62.91 2cwm n SER 168 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cwm s SER 169 N -4.22 3.74 -0.08 4.04 0.15 -1.09 -4.94 113.70 111.29 2cwm s SER 169 Ca 0.07 -0.56 -0.07 0.00 0.70 0.00 0.00 55.95 56.09 2cwm s SER 169 Cb -0.04 -0.50 0.02 0.00 -1.71 0.00 0.00 66.02 63.80 2cwm s SER 169 CO 0.95 0.20 0.22 0.54 1.20 0.00 0.00 173.24 176.35 2cwm s VAL 170 N -1.06 -0.01 0.08 4.45 0.11 -1.26 -0.76 120.40 121.96 2cwm s VAL 170 Ca 0.16 0.02 -0.26 0.00 -2.93 0.00 0.00 61.98 58.98 2cwm s VAL 170 Cb -0.10 -0.32 0.08 0.00 -1.53 0.00 0.00 36.38 34.51 2cwm s VAL 170 CO 0.08 0.01 0.71 -0.83 -3.33 0.00 0.00 175.10 171.73 2cwm s GLY 171 N 0.26 -0.56 0.07 6.54 0.00 -0.89 0.59 107.32 113.34 2cwm s GLY 171 Ca -0.01 0.76 -0.13 0.00 0.00 0.00 0.00 44.72 45.34 2cwm s GLY 171 CO -0.01 0.30 0.29 0.50 0.00 0.00 0.00 173.10 174.18 2cwm s ARG 172 N -3.30 0.86 -0.06 2.90 0.52 -0.61 -1.45 118.95 117.81 2cwm s ARG 172 Ca 0.01 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 2cwm s ARG 172 Cb -0.01 0.37 0.02 0.00 0.52 0.00 0.00 34.95 35.85 2cwm s ARG 172 CO -0.10 -0.29 -0.03 0.00 0.02 0.00 0.00 175.30 174.90 2cwm s ALA 173 N -3.10 0.76 0.02 2.13 0.00 -0.31 0.11 121.76 121.37 2cwm s ALA 173 Ca -0.01 -0.14 0.07 0.00 0.00 0.00 0.00 51.96 51.88 2cwm s ALA 173 Cb 0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 2cwm s ALA 173 CO -0.07 -0.21 -0.21 -0.51 0.00 0.00 0.00 175.76 174.77 2cwm s LEU 174 N 1.36 2.45 0.44 0.00 1.02 0.04 -0.84 118.68 123.15 2cwm s LEU 174 Ca -0.04 -0.44 -0.24 0.00 0.02 0.00 0.00 54.13 53.43 2cwm s LEU 174 Cb -0.13 -1.44 -0.08 0.00 0.02 0.00 0.00 46.19 44.55 2cwm s LEU 174 CO -0.03 0.28 1.26 0.12 0.02 0.00 0.00 176.35 178.00 2cwm s PHE 175 N -0.83 2.77 0.14 0.29 5.36 -0.15 -0.36 117.98 125.21 2cwm s PHE 175 Ca 0.13 1.45 -0.10 0.00 -0.96 0.00 0.00 56.93 57.45 2cwm s PHE 175 Cb -0.10 -3.59 -0.04 0.00 -0.34 0.00 0.00 43.02 38.95 2cwm s PHE 175 CO 0.03 -1.99 1.46 -0.92 -1.46 0.00 0.00 175.22 172.33 2cwm h TYR 176 N 2.31 1.08 -3.60 10.12 5.03 -1.40 -3.43 116.97 127.07 2cwm h TYR 176 Ca -0.50 -0.35 -0.51 0.00 2.58 0.00 0.00 58.73 59.95 2cwm h TYR 176 Cb 1.25 -0.22 -0.00 0.00 1.55 0.00 0.00 36.73 39.31 2cwm h TYR 176 CO 0.52 1.17 0.43 0.00 -1.32 0.00 0.00 178.16 178.97 2cwm s ALA 177 N -4.26 3.34 0.82 1.82 0.00 -1.26 -5.00 121.76 117.21 2cwm s ALA 177 Ca -0.11 0.74 -0.13 0.00 0.00 0.00 0.00 51.96 52.46 2cwm s ALA 177 Cb 0.11 -3.32 0.09 0.00 0.00 0.00 0.00 23.12 20.00 2cwm s ALA 177 CO 0.88 -0.11 1.21 -2.30 0.00 0.00 0.00 175.76 175.44 2cwm n PRO 178 N 2.30 0.14 -5.09 0.00 -0.02 -1.26 -4.76 135.00 126.30 2cwm n PRO 178 Ca 0.02 0.12 -0.29 0.00 -2.02 0.00 0.00 63.50 61.33 2cwm n PRO 178 Cb 0.47 -2.44 -0.16 0.00 -0.02 0.00 0.00 33.50 31.35 2cwm n PRO 178 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2cwm s VAL 179 N -2.16 1.80 -0.81 -1.45 1.01 0.84 -4.95 120.40 114.67 2cwm s VAL 179 Ca 0.73 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 2cwm s VAL 179 Cb -0.29 -1.52 0.13 0.00 0.00 0.00 0.00 36.38 34.70 2cwm s VAL 179 CO 0.51 0.51 0.98 -2.28 0.00 0.00 0.00 175.10 174.81 2cwm s HIS 180 N -0.14 3.12 -0.06 5.22 2.46 -1.26 -1.01 115.29 123.62 2cwm s HIS 180 Ca -0.02 -1.27 0.13 0.00 0.47 0.00 0.00 55.06 54.37 2cwm s HIS 180 Cb -0.12 -4.17 -0.07 0.00 -0.13 0.00 0.00 32.58 28.08 2cwm s HIS 180 CO 0.03 -1.41 1.24 0.97 -2.47 0.00 0.00 174.74 173.09 2cwm h ILE 181 N 5.73 1.05 -3.96 0.89 6.09 -1.36 -3.46 117.51 122.48 2cwm h ILE 181 Ca 0.00 -2.56 -0.10 0.00 -1.37 0.00 0.00 64.86 60.83 2cwm h ILE 181 Cb 1.04 2.48 -0.14 0.00 0.47 0.00 0.00 36.82 40.67 2cwm h ILE 181 CO 1.07 0.60 -0.46 -1.66 -3.07 0.00 0.00 178.15 174.63 2cwm s TRP 182 N -2.86 0.32 -0.25 2.19 1.48 -1.21 -4.78 118.94 113.83 2cwm s TRP 182 Ca 0.01 -0.77 -0.15 0.00 -1.06 0.00 0.00 56.10 54.14 2cwm s TRP 182 Cb 0.08 -0.17 0.07 0.00 -1.16 0.00 0.00 33.47 32.30 2cwm s TRP 182 CO 0.78 -0.52 0.61 -2.00 -4.06 0.00 0.00 176.95 171.76 2cwm s GLU 183 N -3.90 0.63 0.46 3.25 -6.30 -1.26 -4.82 118.70 106.75 2cwm s GLU 183 Ca 0.08 1.08 0.17 0.00 -2.50 0.00 0.00 54.97 53.80 2cwm s GLU 183 Cb 0.06 0.12 1.07 0.00 0.00 0.00 0.00 34.13 35.37 2cwm s GLU 183 CO -0.09 -0.15 2.00 0.77 0.02 0.00 0.00 175.26 177.81 2cwm h SER 184 N 6.86 0.00 0.62 -1.70 0.02 -2.01 -2.13 113.55 115.21 2cwm h SER 184 Ca -0.32 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.61 2cwm h SER 184 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 2cwm h SER 184 CO 0.19 0.19 -0.13 -1.28 -1.14 0.00 0.00 176.83 174.66 2cwm h SER 185 N 0.00 0.00 -3.91 3.07 0.87 -1.99 -3.46 113.55 108.14 2cwm h SER 185 Ca -0.00 0.00 -0.47 0.00 -1.23 0.00 0.00 61.79 60.09 2cwm h SER 185 Cb 0.35 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 2cwm h SER 185 CO 0.02 0.13 0.35 0.00 -0.53 0.00 0.00 176.83 176.81 2cwm s ALA 186 N -3.93 3.18 -0.03 6.23 0.00 -0.80 -4.56 121.76 121.85 2cwm s ALA 186 Ca -0.01 0.53 -0.17 0.00 0.00 0.00 0.00 51.96 52.31 2cwm s ALA 186 Cb 0.12 -3.19 -0.32 0.00 0.00 0.00 0.00 23.12 19.72 2cwm s ALA 186 CO 0.58 0.13 0.84 0.28 0.00 0.00 0.00 175.76 177.59 2cwm h VAL 187 N 2.50 1.24 -3.73 0.00 2.07 -0.45 -3.45 116.25 114.43 2cwm h VAL 187 Ca -0.47 -2.57 -0.55 0.00 0.82 0.00 0.00 66.70 63.92 2cwm h VAL 187 Cb 1.19 2.99 -0.32 0.00 -1.52 0.00 0.00 31.29 33.63 2cwm h VAL 187 CO 0.64 0.78 -0.83 -0.69 0.02 0.00 0.00 177.57 177.49 2cwm s VAL 188 N -2.53 1.38 -0.07 2.57 1.01 -0.87 -4.84 120.40 117.06 2cwm s VAL 188 Ca -0.13 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.22 2cwm s VAL 188 Cb 0.03 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.21 2cwm s VAL 188 CO 0.87 0.40 -0.20 0.00 0.00 0.00 0.00 175.10 176.17 2cwm s ALA 189 N 0.22 1.81 0.06 5.51 0.00 -1.26 0.06 121.76 128.16 2cwm s ALA 189 Ca -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2cwm s ALA 189 Cb -0.13 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 2cwm s ALA 189 CO 0.03 0.27 -0.05 -1.54 0.00 0.00 0.00 175.76 174.48 2cwm s SER 190 N 0.24 0.67 0.02 0.00 1.04 -0.53 -0.28 113.70 114.86 2cwm s SER 190 Ca -0.11 -0.86 -0.03 0.00 0.48 0.00 0.00 55.95 55.43 2cwm s SER 190 Cb -0.15 0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.09 2cwm s SER 190 CO 0.05 -0.46 0.04 0.72 0.98 0.00 0.00 173.24 174.57 2cwm s PHE 191 N -3.10 0.23 0.04 5.02 -0.12 -0.39 -1.24 117.98 118.43 2cwm s PHE 191 Ca 0.02 -0.50 -0.03 0.00 -0.05 0.00 0.00 56.93 56.37 2cwm s PHE 191 Cb 0.02 -0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.21 2cwm s PHE 191 CO -0.06 -0.28 0.03 0.16 -0.05 0.00 0.00 175.22 175.02 2cwm s ASP 192 N -1.79 0.31 -0.05 1.98 1.47 0.05 -1.69 116.67 116.95 2cwm s ASP 192 Ca -0.10 -0.71 -0.12 0.00 1.18 0.00 0.00 52.55 52.80 2cwm s ASP 192 Cb -0.05 0.19 0.02 0.00 -0.34 0.00 0.00 42.92 42.74 2cwm s ASP 192 CO -0.02 -0.51 0.27 0.00 0.68 0.00 0.00 175.17 175.59 2cwm s ALA 193 N -2.90 -0.69 0.00 2.11 0.00 -0.15 -0.39 121.76 119.74 2cwm s ALA 193 Ca -0.03 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.38 2cwm s ALA 193 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 2cwm s ALA 193 CO -0.06 -0.21 -0.07 0.99 0.00 0.00 0.00 175.76 176.41 2cwm s THR 194 N -0.82 0.57 -0.00 0.00 2.01 -0.34 -0.15 115.64 116.91 2cwm s THR 194 Ca -0.09 -0.43 -0.05 0.00 0.31 0.00 0.00 61.69 61.43 2cwm s THR 194 Cb -0.05 -0.50 -0.00 0.00 0.01 0.00 0.00 72.50 71.96 2cwm s THR 194 CO 0.02 0.08 0.11 0.72 -0.69 0.00 0.00 174.62 174.86 2cwm s PHE 195 N -0.35 0.05 0.05 4.92 -0.12 -0.35 -0.04 117.98 122.14 2cwm s PHE 195 Ca 0.01 -0.11 0.06 0.00 -0.05 0.00 0.00 56.93 56.83 2cwm s PHE 195 Cb -0.04 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 2cwm s PHE 195 CO -0.00 -0.23 -0.10 0.95 -0.05 0.00 0.00 175.22 175.79 2cwm s THR 196 N -1.11 3.37 0.10 -4.49 -4.23 -0.49 -0.72 115.64 108.06 2cwm s THR 196 Ca -0.12 -1.05 -0.08 0.00 -1.18 0.00 0.00 61.69 59.26 2cwm s THR 196 Cb -0.07 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 2cwm s THR 196 CO 0.01 0.27 0.18 0.72 -0.54 0.00 0.00 174.62 175.26 2cwm s PHE 197 N -1.07 0.23 -0.23 3.99 -0.71 -0.46 -1.02 117.98 118.72 2cwm s PHE 197 Ca 0.18 -0.66 -0.04 0.00 -1.04 0.00 0.00 56.93 55.37 2cwm s PHE 197 Cb -0.11 -0.09 0.08 0.00 -1.21 0.00 0.00 43.02 41.69 2cwm s PHE 197 CO 0.10 -0.55 0.12 -1.17 -1.34 0.00 0.00 175.22 172.37 2cwm s LEU 198 N -2.88 0.40 -0.35 -1.99 2.96 0.49 -0.31 118.68 117.00 2cwm s LEU 198 Ca 0.07 -0.90 -0.12 0.00 -0.22 0.00 0.00 54.13 52.96 2cwm s LEU 198 Cb 0.05 -0.26 -0.01 0.00 0.50 0.00 0.00 46.19 46.48 2cwm s LEU 198 CO -0.09 -0.39 0.23 -0.63 -1.32 0.00 0.00 176.35 174.15 2cwm s ILE 199 N 2.13 5.10 -0.02 6.68 1.01 -1.26 -2.52 121.20 132.32 2cwm s ILE 199 Ca 0.05 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.38 2cwm s ILE 199 Cb -0.16 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 2cwm s ILE 199 CO -0.22 -0.06 -0.17 -0.75 0.00 0.00 0.00 174.94 173.74 2cwm s LYS 200 N 1.68 1.42 0.01 2.79 2.20 -1.25 -0.07 119.74 126.53 2cwm s LYS 200 Ca 0.05 -0.60 -0.10 0.00 -0.36 0.00 0.00 55.97 54.96 2cwm s LYS 200 Cb -0.18 -1.36 0.01 0.00 -1.51 0.00 0.00 37.83 34.79 2cwm s LYS 200 CO 0.09 0.35 0.19 0.45 -0.36 0.00 0.00 175.35 176.07 2cwm s SER 201 N -0.34 -0.02 -0.05 1.43 0.15 -1.26 -0.41 113.70 113.20 2cwm s SER 201 Ca 0.05 -0.17 0.08 0.00 0.70 0.00 0.00 55.95 56.61 2cwm s SER 201 Cb -0.07 0.25 0.19 0.00 -1.71 0.00 0.00 66.02 64.68 2cwm s SER 201 CO -0.00 -0.43 1.14 -1.54 1.20 0.00 0.00 173.24 173.61 2cwm n SER 202 N 1.25 2.49 -4.74 5.45 3.41 -1.26 -4.94 113.62 115.28 2cwm n SER 202 Ca -0.22 -2.36 -0.30 0.00 -0.26 0.00 0.00 58.87 55.73 2cwm n SER 202 Cb 0.56 -0.21 0.12 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.53 3.83 0.37 4.04 1.11 -1.26 -4.91 116.67 118.31 2cwm s ASP 203 Ca 0.17 1.53 0.16 0.00 0.18 0.00 0.00 52.55 54.59 2cwm s ASP 203 Cb 0.13 -2.23 1.06 0.00 1.07 0.00 0.00 42.92 42.95 2cwm s ASP 203 CO 0.05 -2.42 1.73 0.28 1.18 0.00 0.00 175.17 175.99 2cwm h SER 204 N -1.40 0.51 -3.82 0.27 0.02 -1.96 -3.40 113.55 103.78 2cwm h SER 204 Ca -0.48 0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.44 2cwm h SER 204 Cb 1.27 0.04 -0.25 0.00 0.14 0.00 0.00 62.40 63.60 2cwm h SER 204 CO 0.54 0.05 -0.33 -2.28 -1.14 0.00 0.00 176.83 173.67 2cwm s HIS 205 N -5.59 -0.37 0.59 3.45 5.65 -1.26 -5.15 115.29 112.61 2cwm s HIS 205 Ca -0.09 0.91 -0.18 0.00 0.25 0.00 0.00 55.06 55.94 2cwm s HIS 205 Cb 0.27 0.13 -0.04 0.00 -1.18 0.00 0.00 32.58 31.76 2cwm s HIS 205 CO 0.80 -0.18 1.12 -1.25 -0.65 0.00 0.00 174.74 174.58 2cwm s PRO 206 N 0.25 3.16 0.38 2.88 0.04 -1.26 -4.16 135.00 136.29 2cwm s PRO 206 Ca -0.01 1.53 -0.09 0.00 0.04 0.00 0.00 61.00 62.47 2cwm s PRO 206 Cb -0.03 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.56 2cwm s PRO 206 CO -0.00 -0.99 0.66 0.00 0.04 0.00 0.00 177.00 176.71 2cwm s ALA 207 N -1.99 -0.04 -0.39 8.56 0.00 -1.21 -4.31 121.76 122.39 2cwm s ALA 207 Ca 0.71 -1.12 0.23 0.00 0.00 0.00 0.00 51.96 51.77 2cwm s ALA 207 Cb -0.22 0.87 0.25 0.00 0.00 0.00 0.00 23.12 24.02 2cwm s ALA 207 CO 0.32 -0.90 1.47 -0.44 0.00 0.00 0.00 175.76 176.21 2cwm h ASP 208 N 2.03 0.00 -4.03 0.00 5.19 -1.11 -2.62 116.42 115.87 2cwm h ASP 208 Ca -0.31 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 2cwm h ASP 208 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2cwm h ASP 208 CO 0.41 0.01 0.00 0.61 -3.12 0.00 0.00 179.24 177.14 2cwm n GLY 209 N 1.12 1.61 3.12 2.75 0.00 -1.22 -2.25 105.19 110.32 2cwm n GLY 209 Ca 0.03 -1.90 -0.22 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.27 1.12 -0.00 -0.61 1.01 -0.61 -2.58 121.20 118.25 2cwm s ILE 210 Ca 0.00 -0.67 0.05 0.00 0.00 0.00 0.00 60.65 60.03 2cwm s ILE 210 Cb 0.00 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.51 2cwm s ILE 210 CO 0.00 0.27 -0.15 0.00 0.00 0.00 0.00 174.94 175.06 2cwm s ALA 211 N -0.41 1.22 -0.05 9.38 0.00 0.80 0.05 121.76 132.75 2cwm s ALA 211 Ca 0.05 -0.67 -0.21 0.00 0.00 0.00 0.00 51.96 51.13 2cwm s ALA 211 Cb -0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 2cwm s ALA 211 CO -0.00 0.29 0.60 0.12 0.00 0.00 0.00 175.76 176.77 2cwm s PHE 212 N -0.43 3.60 0.09 0.00 5.36 -0.28 -0.67 117.98 125.65 2cwm s PHE 212 Ca 0.05 1.14 0.00 0.00 -0.96 0.00 0.00 56.93 57.16 2cwm s PHE 212 Cb -0.06 -2.66 -0.04 0.00 -0.34 0.00 0.00 43.02 39.92 2cwm s PHE 212 CO -0.00 0.21 -0.03 -0.59 -1.46 0.00 0.00 175.22 173.35 2cwm s PHE 213 N 0.36 0.76 -0.06 10.12 -0.71 0.20 -0.53 117.98 128.13 2cwm s PHE 213 Ca 0.32 -1.03 0.01 0.00 -1.04 0.00 0.00 56.93 55.19 2cwm s PHE 213 Cb -0.17 -0.47 0.02 0.00 -1.21 0.00 0.00 43.02 41.18 2cwm s PHE 213 CO 0.16 -0.30 -0.08 0.42 -1.34 0.00 0.00 175.22 174.08 2cwm s ILE 214 N -3.81 0.82 0.18 -4.49 1.01 -0.09 -0.71 121.20 114.12 2cwm s ILE 214 Ca 0.12 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.50 2cwm s ILE 214 Cb 0.07 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 2cwm s ILE 214 CO -0.05 0.29 0.05 -0.94 0.00 0.00 0.00 174.94 174.29 2cwm s SER 215 N 0.89 0.84 0.36 3.58 1.04 -0.22 -1.54 113.70 118.64 2cwm s SER 215 Ca -0.11 -1.25 -0.23 0.00 0.48 0.00 0.00 55.95 54.83 2cwm s SER 215 Cb -0.15 0.21 -0.15 0.00 0.10 0.00 0.00 66.02 66.03 2cwm s SER 215 CO 0.01 -0.68 0.36 -0.46 0.98 0.00 0.00 173.24 173.45 2cwm n ASN 216 N -0.25 -1.75 0.27 7.02 2.04 -1.16 -0.76 115.26 120.67 2cwm n ASN 216 Ca -0.04 0.92 0.13 0.00 -0.44 0.00 0.00 54.58 55.15 2cwm n ASN 216 Cb 0.64 -0.98 0.79 0.00 -2.53 0.00 0.00 39.78 37.70 2cwm n ASN 216 CO 0.00 0.00 0.00 0.16 -0.44 0.00 0.00 177.26 176.98 2cwm h ILE 217 N 0.68 0.61 -0.81 1.53 3.07 -1.84 -2.09 117.51 118.66 2cwm h ILE 217 Ca -0.36 -0.30 -0.30 0.00 1.55 0.00 0.00 64.86 65.45 2cwm h ILE 217 Cb 1.43 1.19 -0.18 0.00 -0.27 0.00 0.00 36.82 38.99 2cwm h ILE 217 CO 0.51 0.07 0.38 -0.90 -1.05 0.00 0.00 178.15 177.16 2cwm n ASP 218 N -3.80 4.54 -4.77 2.16 5.75 -1.26 -4.69 116.55 114.48 2cwm n ASP 218 Ca -0.02 -3.30 -0.41 0.00 -0.01 0.00 0.00 54.79 51.05 2cwm n ASP 218 Cb 0.17 -0.77 -0.02 0.00 -1.03 0.00 0.00 41.12 39.47 2cwm n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2cwm s SER 219 N -1.04 6.79 0.17 -1.12 0.15 -0.78 -5.02 113.70 112.84 2cwm s SER 219 Ca 0.55 2.66 0.02 0.00 0.70 0.00 0.00 55.95 59.88 2cwm s SER 219 Cb 0.44 -2.65 -0.05 0.00 -1.71 0.00 0.00 66.02 62.06 2cwm s SER 219 CO 0.13 -0.52 0.00 -0.94 1.20 0.00 0.00 173.24 173.11 2cwm s SER 220 N -0.52 1.17 0.00 5.45 1.04 -1.26 -5.09 113.70 114.49 2cwm s SER 220 Ca 0.49 -1.17 -0.30 0.00 0.48 0.00 0.00 55.95 55.45 2cwm s SER 220 Cb -0.39 0.13 -0.07 0.00 0.10 0.00 0.00 66.02 65.78 2cwm s SER 220 CO 0.52 -0.57 1.73 -0.63 0.98 0.00 0.00 173.24 175.26 2cwm s ILE 221 N -3.68 3.30 0.34 -1.02 1.01 -1.26 -4.94 121.20 114.95 2cwm s ILE 221 Ca 0.24 0.48 -0.29 0.00 0.00 0.00 0.00 60.65 61.08 2cwm s ILE 221 Cb 0.06 -3.31 -0.12 0.00 0.01 0.00 0.00 42.46 39.10 2cwm s ILE 221 CO 0.04 -0.03 1.46 -2.65 0.00 0.00 0.00 174.94 173.76 2cwm n PRO 222 N 6.79 2.52 -1.81 2.79 -0.02 -1.26 -4.90 135.00 139.10 2cwm n PRO 222 Ca 0.17 0.89 -0.41 0.00 -2.02 0.00 0.00 63.50 62.13 2cwm n PRO 222 Cb 0.42 -2.59 -0.02 0.00 -0.02 0.00 0.00 33.50 31.29 2cwm n PRO 222 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2cwm s SER 223 N -0.00 6.42 0.00 2.55 1.04 -1.26 -2.38 113.70 120.07 2cwm s SER 223 Ca 0.57 2.90 0.00 0.00 0.48 0.00 0.00 55.95 59.90 2cwm s SER 223 Cb -0.51 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 62.98 2cwm s SER 223 CO 0.59 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2cwm n GLY 224 N 2.29 0.40 2.21 7.32 0.00 -1.26 -4.84 105.19 111.31 2cwm n GLY 224 Ca 0.08 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.88 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 1.75 4.78 -3.90 1.61 3.41 -1.00 -4.88 113.62 115.39 2cwm n SER 225 Ca 0.00 -3.60 -0.30 0.00 -0.26 0.00 0.00 58.87 54.71 2cwm n SER 225 Cb 0.00 -0.87 0.22 0.00 -0.26 0.00 0.00 64.21 63.30 2cwm n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2cwm s THR 226 N -3.56 1.71 0.00 6.66 -4.23 -1.26 0.04 115.64 115.00 2cwm s THR 226 Ca 0.57 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 2cwm s THR 226 Cb 0.47 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.67 2cwm s THR 226 CO 0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 2cwm n GLY 227 N -1.80 2.62 0.31 3.99 0.00 -0.05 -2.99 105.19 107.28 2cwm n GLY 227 Ca 0.14 -0.40 0.18 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.34 114.38 111.85 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 -0.15 1.28 0.10 0.00 0.00 179.97 181.20 2cwm n LEU 229 N -2.86 1.46 -1.35 0.08 4.77 -1.16 -4.95 117.00 113.00 2cwm n LEU 229 Ca -0.02 -0.46 -0.18 0.00 -0.03 0.00 0.00 56.01 55.32 2cwm n LEU 229 Cb 0.20 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 2cwm n LEU 229 CO 0.15 0.26 -0.17 0.18 -1.33 0.00 0.00 177.39 176.48 2cwm n LEU 230 N -0.10 -1.12 -0.74 2.23 4.77 -0.88 -1.02 117.00 120.14 2cwm n LEU 230 Ca 0.15 0.44 -0.10 0.00 -0.03 0.00 0.00 56.01 56.47 2cwm n LEU 230 Cb 0.38 -2.82 -0.04 0.00 -2.33 0.00 0.00 43.42 38.61 2cwm n LEU 230 CO 0.21 -1.08 -0.09 0.61 -1.33 0.00 0.00 177.39 175.71 2cwm n GLY 231 N -0.17 1.04 0.06 -0.72 0.00 0.11 -3.96 105.19 101.55 2cwm n GLY 231 Ca -0.18 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.10 1.02 -4.15 0.99 4.77 -0.19 -4.38 117.00 113.95 2cwm n LEU 232 Ca -0.10 -0.03 -0.20 0.00 -0.03 0.00 0.00 56.01 55.66 2cwm n LEU 232 Cb 0.44 0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.41 2cwm n LEU 232 CO 0.15 0.44 -0.47 -0.36 -1.33 0.00 0.00 177.39 175.82 2cwm s PHE 233 N -2.28 1.26 -0.78 -1.77 0.08 -1.19 -4.78 117.98 108.52 2cwm s PHE 233 Ca -0.10 -0.37 0.26 0.00 0.12 0.00 0.00 56.93 56.83 2cwm s PHE 233 Cb 0.04 -0.74 0.93 0.00 -0.57 0.00 0.00 43.02 42.68 2cwm s PHE 233 CO 0.42 0.04 1.79 -0.35 -0.10 0.00 0.00 175.22 177.02 2cwm n PRO 234 N 1.79 0.17 -3.84 0.24 -0.04 -1.26 -4.55 135.00 127.51 2cwm n PRO 234 Ca -0.18 0.19 -0.07 0.00 -0.04 0.00 0.00 63.50 63.40 2cwm n PRO 234 Cb 0.55 -1.72 -0.01 0.00 -0.04 0.00 0.00 33.50 32.27 2cwm n PRO 234 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2cwm s ASP 235 N -4.03 -0.19 -0.18 3.54 1.47 -1.26 -4.90 116.67 111.12 2cwm s ASP 235 Ca 0.10 -0.72 0.12 0.00 1.18 0.00 0.00 52.55 53.23 2cwm s ASP 235 Cb 0.13 0.74 0.65 0.00 -0.34 0.00 0.00 42.92 44.10 2cwm s ASP 235 CO 0.53 -1.39 1.50 0.00 0.68 0.00 0.00 175.17 176.49 2cwm n ALA 236 N -0.48 3.54 0.97 2.11 0.00 -1.26 -4.68 120.51 120.71 2cwm n ALA 236 Ca -0.05 -1.50 0.08 0.00 0.00 0.00 0.00 53.44 51.96 2cwm n ALA 236 Cb 0.59 -1.09 0.46 0.00 0.00 0.00 0.00 19.45 19.41 2cwm n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59