#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dgl s ASP 2 N 0.00 6.71 -0.75 0.00 1.01 -1.26 -5.02 116.67 117.36 1dgl s ASP 2 Ca 0.00 1.04 -0.16 0.00 0.71 0.00 0.00 52.55 54.14 1dgl s ASP 2 Cb 0.00 -2.28 0.17 0.00 1.01 0.00 0.00 42.92 41.82 1dgl s ASP 2 CO 0.00 -0.06 0.77 -0.89 0.21 0.00 0.00 175.17 175.19 1dgl s THR 3 N -1.77 5.26 0.23 -1.27 2.01 -1.26 -5.03 115.64 113.81 1dgl s THR 3 Ca 0.47 -1.89 -0.07 0.00 0.31 0.00 0.00 61.69 60.51 1dgl s THR 3 Cb -0.12 -4.50 -0.06 0.00 0.01 0.00 0.00 72.50 67.83 1dgl s THR 3 CO 0.20 -1.09 0.51 -0.63 -0.69 0.00 0.00 174.62 172.91 1dgl s ILE 4 N 1.28 5.02 -0.13 1.82 -1.09 -1.26 -3.95 121.20 122.89 1dgl s ILE 4 Ca 0.16 0.21 -0.04 0.00 -2.23 0.00 0.00 60.65 58.75 1dgl s ILE 4 Cb -0.15 -3.66 0.07 0.00 -1.58 0.00 0.00 42.46 37.13 1dgl s ILE 4 CO -0.04 -0.13 0.23 -0.69 -1.23 0.00 0.00 174.94 173.08 1dgl s VAL 5 N -1.87 -0.37 0.29 2.92 1.01 -0.97 -0.86 120.40 120.55 1dgl s VAL 5 Ca 0.44 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1dgl s VAL 5 Cb -0.11 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1dgl s VAL 5 CO 0.25 0.08 0.16 0.00 0.00 0.00 0.00 175.10 175.58 1dgl s ALA 6 N 2.38 1.84 -0.07 5.51 0.00 0.24 -0.95 121.76 130.70 1dgl s ALA 6 Ca 0.03 -1.78 -0.01 0.00 0.00 0.00 0.00 51.96 50.20 1dgl s ALA 6 Cb -0.13 1.19 0.03 0.00 0.00 0.00 0.00 23.12 24.21 1dgl s ALA 6 CO -0.08 -0.52 -0.02 0.08 0.00 0.00 0.00 175.76 175.22 1dgl s VAL 7 N -3.68 0.50 0.12 0.00 1.01 -0.74 -1.03 120.40 116.58 1dgl s VAL 7 Ca 0.37 0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.46 1dgl s VAL 7 Cb 0.05 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1dgl s VAL 7 CO 0.17 0.27 -0.20 -1.83 0.00 0.00 0.00 175.10 173.52 1dgl s GLU 8 N 1.79 1.71 -0.61 2.72 -1.05 -0.20 -1.51 118.70 121.55 1dgl s GLU 8 Ca 0.03 -1.21 0.02 0.00 -0.15 0.00 0.00 54.97 53.66 1dgl s GLU 8 Cb -0.13 -2.07 0.15 0.00 -0.44 0.00 0.00 34.13 31.64 1dgl s GLU 8 CO -0.05 0.48 0.39 -0.51 0.95 0.00 0.00 175.26 176.52 1dgl s LEU 9 N -2.11 4.73 -0.38 1.83 1.02 0.16 -1.28 118.68 122.65 1dgl s LEU 9 Ca 0.17 -3.21 -0.25 0.00 0.02 0.00 0.00 54.13 50.85 1dgl s LEU 9 Cb -0.10 -1.71 0.02 0.00 0.02 0.00 0.00 46.19 44.41 1dgl s LEU 9 CO 0.09 -0.23 0.91 0.21 0.02 0.00 0.00 176.35 177.35 1dgl s ASN 10 N -0.30 6.63 0.04 2.29 3.04 -0.17 -1.41 114.94 125.06 1dgl s ASN 10 Ca 0.19 0.47 0.15 0.00 0.04 0.00 0.00 52.86 53.72 1dgl s ASN 10 Cb -0.19 -2.45 -0.16 0.00 -1.54 0.00 0.00 41.25 36.91 1dgl s ASN 10 CO -0.05 -0.87 0.80 0.77 -3.04 0.00 0.00 177.10 174.71 1dgl h SER 11 N 8.58 0.00 -3.35 -4.21 4.64 -1.27 -1.14 113.55 116.81 1dgl h SER 11 Ca -0.23 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.43 1dgl h SER 11 Cb 1.08 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.90 1dgl h SER 11 CO 0.98 0.70 -0.73 -0.47 -0.87 0.00 0.00 176.83 176.44 1dgl s TYR 12 N -2.83 2.91 -0.15 4.77 5.04 -1.17 -4.46 117.35 121.47 1dgl s TYR 12 Ca -0.03 -0.76 -0.29 0.00 -2.44 0.00 0.00 57.07 53.54 1dgl s TYR 12 Cb 0.08 -1.99 -0.02 0.00 0.35 0.00 0.00 41.96 40.39 1dgl s TYR 12 CO 0.81 -0.36 1.28 -2.14 -1.34 0.00 0.00 175.55 173.80 1dgl s PRO 13 N 0.92 4.24 -0.63 4.97 0.02 -1.26 -4.94 135.00 138.32 1dgl s PRO 13 Ca -0.01 1.70 0.06 0.00 0.02 0.00 0.00 61.00 62.76 1dgl s PRO 13 Cb -0.15 -3.76 0.21 0.00 0.02 0.00 0.00 34.50 30.82 1dgl s PRO 13 CO 0.00 -0.69 0.58 0.09 -0.33 0.00 0.00 177.00 176.65 1dgl n ASN 14 N 6.50 2.71 -0.20 2.53 4.13 -1.26 -4.95 115.26 124.72 1dgl n ASN 14 Ca 0.14 -3.17 0.16 0.00 1.68 0.00 0.00 54.58 53.38 1dgl n ASN 14 Cb 0.45 -0.69 0.49 0.00 -1.54 0.00 0.00 39.78 38.48 1dgl n ASN 14 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1dgl h THR 15 N 3.75 0.78 0.00 3.41 1.35 -1.84 -1.51 112.91 118.85 1dgl h THR 15 Ca 0.17 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1dgl h THR 15 Cb 0.74 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 1dgl h THR 15 CO 0.71 0.08 0.00 -0.90 -0.25 0.00 0.00 175.52 175.16 1dgl n ASP 16 N -4.50 0.00 0.00 5.36 5.75 -1.26 -2.34 116.55 119.56 1dgl n ASP 16 Ca 0.16 0.39 0.00 0.00 -0.01 0.00 0.00 54.79 55.32 1dgl n ASP 16 Cb 0.55 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1dgl n ASP 16 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1dgl n ILE 17 N -1.43 0.45 0.00 2.12 -5.35 -0.64 -4.99 119.36 109.53 1dgl n ILE 17 Ca 0.03 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 1dgl n ILE 17 Cb 0.09 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 38.84 1dgl n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dgl n GLY 18 N -0.22 1.17 3.76 3.28 0.00 -0.99 -4.62 105.19 107.57 1dgl n GLY 18 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1dgl n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dgl s ASP 19 N -0.89 7.15 0.84 1.61 1.01 -0.81 -4.88 116.67 120.70 1dgl s ASP 19 Ca 0.00 2.31 -0.12 0.00 0.71 0.00 0.00 52.55 55.46 1dgl s ASP 19 Cb 0.00 -2.63 0.09 0.00 1.01 0.00 0.00 42.92 41.40 1dgl s ASP 19 CO 0.00 -0.23 1.10 -2.16 0.21 0.00 0.00 175.17 174.09 1dgl s PRO 20 N -1.58 1.76 -1.33 8.23 0.04 -1.26 -3.89 135.00 136.96 1dgl s PRO 20 Ca 0.46 0.68 -0.08 0.00 0.04 0.00 0.00 61.00 62.10 1dgl s PRO 20 Cb -0.32 -1.88 0.12 0.00 0.04 0.00 0.00 34.50 32.46 1dgl s PRO 20 CO 0.42 -1.86 2.20 -1.71 0.04 0.00 0.00 177.00 176.09 1dgl n ASN 21 N -3.60 6.65 -3.64 6.66 4.05 -1.26 -4.65 115.26 119.47 1dgl n ASN 21 Ca 0.07 -3.08 -0.02 0.00 0.45 0.00 0.00 54.58 52.00 1dgl n ASN 21 Cb 0.56 -1.44 -0.02 0.00 1.23 0.00 0.00 39.78 40.11 1dgl n ASN 21 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 1dgl s TYR 22 N -0.10 -0.03 0.30 1.20 -0.85 -1.26 -5.06 117.35 111.56 1dgl s TYR 22 Ca 0.48 0.02 -0.30 0.00 -0.52 0.00 0.00 57.07 56.76 1dgl s TYR 22 Cb 0.14 0.50 -0.12 0.00 0.38 0.00 0.00 41.96 42.87 1dgl s TYR 22 CO -0.05 -0.04 1.50 -2.30 -1.52 0.00 0.00 175.55 173.14 1dgl n PRO 23 N 0.07 2.49 -3.89 -3.49 -0.02 -1.26 -4.71 135.00 124.20 1dgl n PRO 23 Ca 0.04 0.88 -0.09 0.00 -2.02 0.00 0.00 63.50 62.31 1dgl n PRO 23 Cb 0.57 -2.60 -0.07 0.00 -0.02 0.00 0.00 33.50 31.37 1dgl n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1dgl s HIS 24 N -0.36 0.23 -0.11 6.00 -3.43 -0.43 -1.05 115.29 116.14 1dgl s HIS 24 Ca 0.62 -0.64 0.01 0.00 -0.80 0.00 0.00 55.06 54.25 1dgl s HIS 24 Cb -0.53 -0.05 -0.02 0.00 -1.43 0.00 0.00 32.58 30.55 1dgl s HIS 24 CO 0.53 -0.61 -0.13 -1.50 -2.00 0.00 0.00 174.74 171.03 1dgl s ILE 25 N -3.90 3.05 0.24 -5.38 2.07 -0.66 -1.00 121.20 115.62 1dgl s ILE 25 Ca 0.09 -0.68 0.01 0.00 -1.41 0.00 0.00 60.65 58.67 1dgl s ILE 25 Cb 0.04 -2.26 -0.05 0.00 0.13 0.00 0.00 42.46 40.32 1dgl s ILE 25 CO -0.07 0.54 0.08 -0.83 -1.91 0.00 0.00 174.94 172.75 1dgl s GLY 26 N 0.13 1.62 -0.13 1.50 0.00 -0.40 -1.77 107.32 108.27 1dgl s GLY 26 Ca -0.06 -1.81 -0.00 0.00 0.00 0.00 0.00 44.72 42.85 1dgl s GLY 26 CO 0.05 -1.57 -0.13 -0.42 0.00 0.00 0.00 173.10 171.03 1dgl s ILE 27 N -3.77 3.08 -0.17 0.90 1.01 -0.77 -1.03 121.20 120.44 1dgl s ILE 27 Ca 0.36 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.36 1dgl s ILE 27 Cb 0.07 -2.29 0.02 0.00 0.01 0.00 0.00 42.46 40.27 1dgl s ILE 27 CO 0.12 0.53 -0.20 -1.81 0.00 0.00 0.00 174.94 173.58 1dgl s ASP 28 N 0.30 3.18 -0.26 3.58 1.01 -0.20 -1.48 116.67 122.80 1dgl s ASP 28 Ca -0.10 -0.62 -0.03 0.00 0.71 0.00 0.00 52.55 52.51 1dgl s ASP 28 Cb -0.16 -1.48 0.03 0.00 1.01 0.00 0.00 42.92 42.32 1dgl s ASP 28 CO 0.05 0.02 -0.03 -0.63 0.21 0.00 0.00 175.17 174.80 1dgl s ILE 29 N 1.17 3.10 -1.02 0.77 -1.09 -1.26 -0.59 121.20 122.28 1dgl s ILE 29 Ca 0.02 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.44 1dgl s ILE 29 Cb -0.14 -2.61 0.00 0.00 -1.58 0.00 0.00 42.46 38.14 1dgl s ILE 29 CO -0.10 0.14 0.00 0.29 -1.23 0.00 0.00 174.94 174.04 1dgl n LYS 30 N 4.70 -1.35 -3.55 2.79 5.02 -0.04 -4.88 118.16 120.86 1dgl n LYS 30 Ca -0.16 0.60 -0.09 0.00 -2.02 0.00 0.00 58.31 56.65 1dgl n LYS 30 Cb 0.47 -4.72 -0.03 0.00 -0.02 0.00 0.00 35.03 30.72 1dgl n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1dgl s SER 31 N -1.82 -0.33 0.25 4.39 0.15 -1.26 -4.93 113.70 110.14 1dgl s SER 31 Ca 0.00 0.19 0.23 0.00 0.70 0.00 0.00 55.95 57.07 1dgl s SER 31 Cb 0.00 0.31 0.96 0.00 -1.71 0.00 0.00 66.02 65.58 1dgl s SER 31 CO 0.00 -0.43 1.70 0.00 1.20 0.00 0.00 173.24 175.70 1dgl n ILE 32 N 0.24 0.84 -2.71 6.45 0.13 -1.26 -4.40 119.36 118.65 1dgl n ILE 32 Ca -0.08 0.24 -0.42 0.00 -1.10 0.00 0.00 62.75 61.39 1dgl n ILE 32 Cb 0.59 -1.16 -0.03 0.00 -0.84 0.00 0.00 39.64 38.20 1dgl n ILE 32 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 1dgl s ARG 33 N -3.30 3.40 0.13 9.51 0.52 -1.26 -4.97 118.95 122.97 1dgl s ARG 33 Ca 0.04 -1.02 -0.35 0.00 -0.52 0.00 0.00 55.73 53.88 1dgl s ARG 33 Cb 0.09 -4.74 -0.16 0.00 0.52 0.00 0.00 34.95 30.66 1dgl s ARG 33 CO 0.38 -2.00 1.31 0.43 0.02 0.00 0.00 175.30 175.44 1dgl n SER 34 N 8.16 1.77 0.00 0.23 7.64 -1.26 -4.79 113.62 125.37 1dgl n SER 34 Ca 0.16 1.12 0.11 0.00 1.01 0.00 0.00 58.87 61.27 1dgl n SER 34 Cb 0.49 -1.24 0.56 0.00 -1.01 0.00 0.00 64.21 63.01 1dgl n SER 34 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1dgl n LYS 35 N 2.33 0.30 -3.64 1.43 4.01 -0.55 -4.75 118.16 117.29 1dgl n LYS 35 Ca 0.17 0.08 -0.07 0.00 -0.51 0.00 0.00 58.31 57.98 1dgl n LYS 35 Cb 0.23 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 33.18 1dgl n LYS 35 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1dgl s SER 36 N -2.60 -0.28 0.29 4.39 0.15 -1.25 -5.00 113.70 109.40 1dgl s SER 36 Ca 0.20 0.53 0.02 0.00 0.70 0.00 0.00 55.95 57.40 1dgl s SER 36 Cb 0.15 0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 64.97 1dgl s SER 36 CO 0.35 -0.11 0.30 0.42 1.20 0.00 0.00 173.24 175.40 1dgl s THR 37 N 0.05 0.00 -0.02 6.45 -4.23 -1.26 -1.85 115.64 114.78 1dgl s THR 37 Ca 0.05 -1.87 -0.30 0.00 -1.18 0.00 0.00 61.69 58.39 1dgl s THR 37 Cb -0.05 -2.51 0.07 0.00 1.34 0.00 0.00 72.50 71.35 1dgl s THR 37 CO -0.09 0.00 0.68 0.00 -0.54 0.00 0.00 174.62 174.66 1dgl s ALA 38 N -3.57 -1.75 0.06 3.99 0.00 -0.73 -4.96 121.76 114.79 1dgl s ALA 38 Ca 0.37 1.21 -0.31 0.00 0.00 0.00 0.00 51.96 53.23 1dgl s ALA 38 Cb 0.03 0.11 -0.06 0.00 0.00 0.00 0.00 23.12 23.20 1dgl s ALA 38 CO 0.21 -0.42 1.24 0.50 0.00 0.00 0.00 175.76 177.28 1dgl s ARG 39 N -1.55 4.40 -0.25 0.00 3.52 -1.26 -1.66 118.95 122.16 1dgl s ARG 39 Ca -0.09 1.82 -0.05 0.00 -0.13 0.00 0.00 55.73 57.28 1dgl s ARG 39 Cb -0.00 -3.35 -0.00 0.00 -1.56 0.00 0.00 34.95 30.03 1dgl s ARG 39 CO 0.07 -0.31 0.01 -0.46 -0.81 0.00 0.00 175.30 173.80 1dgl s TRP 40 N 1.20 3.05 -1.56 5.12 -0.00 -0.22 -4.83 118.94 121.70 1dgl s TRP 40 Ca 0.60 -0.90 -0.11 0.00 -0.00 0.00 0.00 56.10 55.69 1dgl s TRP 40 Cb -0.30 -2.17 -0.04 0.00 -0.00 0.00 0.00 33.47 30.96 1dgl s TRP 40 CO 0.29 -0.53 2.73 0.09 -0.00 0.00 0.00 176.95 179.52 1dgl n ASN 41 N 4.83 7.45 -4.61 5.86 3.02 -1.26 -4.49 115.26 126.05 1dgl n ASN 41 Ca -0.17 -2.68 -0.54 0.00 -0.03 0.00 0.00 54.58 51.16 1dgl n ASN 41 Cb 0.50 -1.57 -0.07 0.00 -0.61 0.00 0.00 39.78 38.03 1dgl n ASN 41 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1dgl n MET 42 N 4.10 0.99 -4.00 3.52 0.00 -1.26 -4.95 117.12 115.52 1dgl n MET 42 Ca 0.70 0.36 -0.33 0.00 -0.00 0.00 0.00 57.70 58.43 1dgl n MET 42 Cb 0.27 -1.99 -0.14 0.00 0.00 0.00 0.00 33.22 31.36 1dgl n MET 42 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1dgl s GLN 43 N 1.17 2.13 0.36 2.12 -0.21 -1.26 -5.10 119.66 118.87 1dgl s GLN 43 Ca 0.89 -1.46 -0.27 0.00 0.02 0.00 0.00 55.36 54.53 1dgl s GLN 43 Cb -1.03 -3.08 -0.09 0.00 1.00 0.00 0.00 33.01 29.81 1dgl s GLN 43 CO 0.53 -0.69 1.20 0.99 -2.12 0.00 0.00 175.29 175.20 1dgl s THR 44 N 1.10 3.07 0.00 -0.19 2.01 -1.26 -3.27 115.64 117.11 1dgl s THR 44 Ca -0.03 0.98 0.00 0.00 0.31 0.00 0.00 61.69 62.95 1dgl s THR 44 Cb -0.20 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.73 1dgl s THR 44 CO -0.04 0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 1dgl n GLY 45 N 0.77 2.30 3.81 4.40 0.00 -0.37 -5.03 105.19 111.07 1dgl n GLY 45 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1dgl n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dgl s LYS 46 N -0.43 2.94 -0.02 1.61 1.02 -1.20 -5.00 119.74 118.66 1dgl s LYS 46 Ca 0.00 -0.87 -0.21 0.00 0.02 0.00 0.00 55.97 54.92 1dgl s LYS 46 Cb 0.00 -2.66 -0.05 0.00 -0.52 0.00 0.00 37.83 34.60 1dgl s LYS 46 CO 0.00 0.48 0.59 0.08 -0.92 0.00 0.00 175.35 175.59 1dgl s VAL 47 N -1.78 4.94 0.30 3.17 1.01 -1.26 -4.37 120.40 122.41 1dgl s VAL 47 Ca 0.31 1.24 0.11 0.00 0.00 0.00 0.00 61.98 63.64 1dgl s VAL 47 Cb -0.10 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 1dgl s VAL 47 CO 0.24 0.40 -0.14 -0.83 0.00 0.00 0.00 175.10 174.77 1dgl s GLY 48 N -0.07 1.93 -0.03 4.51 0.00 -0.25 -4.49 107.32 108.93 1dgl s GLY 48 Ca 0.31 -1.90 0.06 0.00 0.00 0.00 0.00 44.72 43.19 1dgl s GLY 48 CO 0.17 -1.94 -0.21 -1.59 0.00 0.00 0.00 173.10 169.52 1dgl s THR 49 N -2.51 1.68 -0.11 0.90 2.01 -0.65 -1.50 115.64 115.47 1dgl s THR 49 Ca 0.31 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.44 1dgl s THR 49 Cb -0.03 -1.41 0.01 0.00 0.01 0.00 0.00 72.50 71.08 1dgl s THR 49 CO 0.16 0.48 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.70 1dgl s VAL 50 N -0.36 1.66 0.00 3.82 1.01 -0.42 -1.92 120.40 124.18 1dgl s VAL 50 Ca 0.05 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.33 1dgl s VAL 50 Cb -0.09 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1dgl s VAL 50 CO 0.00 0.47 -0.14 -1.00 0.00 0.00 0.00 175.10 174.44 1dgl s HIS 51 N 0.82 2.69 -0.05 5.22 3.76 -1.11 -2.08 115.29 124.55 1dgl s HIS 51 Ca -0.09 -0.17 -0.03 0.00 -0.15 0.00 0.00 55.06 54.62 1dgl s HIS 51 Cb -0.16 -1.55 0.02 0.00 1.11 0.00 0.00 32.58 32.00 1dgl s HIS 51 CO 0.00 0.26 0.11 0.42 -0.85 0.00 0.00 174.74 174.69 1dgl s ILE 52 N -0.89 -0.02 0.10 0.60 1.01 -0.64 -1.76 121.20 119.61 1dgl s ILE 52 Ca 0.14 0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.82 1dgl s ILE 52 Cb -0.11 -0.17 -0.03 0.00 0.01 0.00 0.00 42.46 42.16 1dgl s ILE 52 CO 0.04 0.02 0.07 -0.44 0.00 0.00 0.00 174.94 174.64 1dgl s SER 53 N 0.40 0.32 -0.23 3.58 0.01 -0.97 -1.76 113.70 115.04 1dgl s SER 53 Ca -0.03 -1.01 -0.23 0.00 1.31 0.00 0.00 55.95 55.99 1dgl s SER 53 Cb -0.04 0.28 0.06 0.00 0.21 0.00 0.00 66.02 66.53 1dgl s SER 53 CO -0.02 -0.70 0.65 -0.47 0.41 0.00 0.00 173.24 173.11 1dgl s TYR 54 N -3.96 -0.70 -0.12 2.43 6.14 -0.69 -2.01 117.35 118.43 1dgl s TYR 54 Ca 0.14 1.70 -0.04 0.00 0.64 0.00 0.00 57.07 59.51 1dgl s TYR 54 Cb 0.07 0.25 0.06 0.00 0.42 0.00 0.00 41.96 42.75 1dgl s TYR 54 CO -0.05 -0.35 0.14 1.21 0.64 0.00 0.00 175.55 177.14 1dgl s ASN 55 N 0.26 1.38 0.00 4.32 3.84 -1.26 -1.42 114.94 122.07 1dgl s ASN 55 Ca -0.01 -0.08 0.01 0.00 0.21 0.00 0.00 52.86 52.99 1dgl s ASN 55 Cb -0.04 0.08 0.03 0.00 -0.55 0.00 0.00 41.25 40.77 1dgl s ASN 55 CO 0.01 -0.29 0.88 -1.54 -2.79 0.00 0.00 177.10 173.37 1dgl n SER 56 N 5.31 0.00 -0.10 -4.21 3.41 -0.48 0.58 113.62 118.13 1dgl n SER 56 Ca -0.05 0.35 -0.18 0.00 -0.26 0.00 0.00 58.87 58.73 1dgl n SER 56 Cb 0.50 -0.35 -0.07 0.00 -0.26 0.00 0.00 64.21 64.02 1dgl n SER 56 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1dgl n VAL 57 N -1.35 1.50 0.30 -3.33 0.31 -1.26 -4.03 118.33 110.47 1dgl n VAL 57 Ca 0.00 -0.03 0.19 0.00 -0.01 0.00 0.00 64.34 64.49 1dgl n VAL 57 Cb 0.01 -2.14 1.02 0.00 -0.91 0.00 0.00 33.84 31.82 1dgl n VAL 57 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dgl h ALA 58 N -0.83 1.33 -2.80 3.52 0.00 -1.79 -3.44 119.26 115.26 1dgl h ALA 58 Ca -0.30 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.41 1dgl h ALA 58 Cb 1.14 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1dgl h ALA 58 CO -0.18 -0.09 -0.23 1.63 0.00 0.00 0.00 179.25 180.38 1dgl n LYS 59 N -3.41 -1.80 -5.24 0.00 5.02 0.20 -4.94 118.16 107.98 1dgl n LYS 59 Ca -0.02 0.55 -0.32 0.00 -2.02 0.00 0.00 58.31 56.50 1dgl n LYS 59 Cb 0.15 -4.94 -0.17 0.00 -0.02 0.00 0.00 35.03 30.06 1dgl n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1dgl s ARG 60 N -3.98 2.71 -0.23 1.97 3.52 -1.25 -0.70 118.95 121.00 1dgl s ARG 60 Ca 0.00 -0.89 -0.09 0.00 -0.13 0.00 0.00 55.73 54.62 1dgl s ARG 60 Cb 0.00 -2.22 -0.04 0.00 -1.56 0.00 0.00 34.95 31.13 1dgl s ARG 60 CO 0.00 0.32 0.12 -1.17 -0.81 0.00 0.00 175.30 173.77 1dgl s LEU 61 N -0.01 3.95 0.32 -0.88 0.20 -0.59 -4.07 118.68 117.61 1dgl s LEU 61 Ca -0.08 0.06 0.08 0.00 0.69 0.00 0.00 54.13 54.88 1dgl s LEU 61 Cb -0.15 -2.05 -0.06 0.00 -0.43 0.00 0.00 46.19 43.50 1dgl s LEU 61 CO 0.05 0.08 -0.07 -0.44 -0.29 0.00 0.00 176.35 175.68 1dgl s SER 62 N 0.96 3.33 -0.28 3.68 0.01 -0.85 -1.77 113.70 118.78 1dgl s SER 62 Ca 0.06 -1.21 -0.21 0.00 1.31 0.00 0.00 55.95 55.90 1dgl s SER 62 Cb -0.13 -0.27 0.09 0.00 0.21 0.00 0.00 66.02 65.91 1dgl s SER 62 CO 0.03 -0.28 0.79 0.00 0.41 0.00 0.00 173.24 174.19 1dgl s ALA 63 N -2.79 -1.90 0.32 1.44 0.00 -0.77 -2.29 121.76 115.77 1dgl s ALA 63 Ca 0.32 2.16 0.08 0.00 0.00 0.00 0.00 51.96 54.52 1dgl s ALA 63 Cb 0.03 -1.36 -0.06 0.00 0.00 0.00 0.00 23.12 21.73 1dgl s ALA 63 CO 0.15 -0.34 -0.07 0.08 0.00 0.00 0.00 175.76 175.58 1dgl s VAL 64 N 0.88 1.95 -0.23 0.00 1.01 -0.72 -1.68 120.40 121.61 1dgl s VAL 64 Ca -0.04 -2.16 -0.04 0.00 0.00 0.00 0.00 61.98 59.74 1dgl s VAL 64 Cb -0.05 -2.57 0.12 0.00 0.00 0.00 0.00 36.38 33.88 1dgl s VAL 64 CO -0.09 -0.24 0.40 -0.69 0.00 0.00 0.00 175.10 174.49 1dgl s VAL 65 N -2.80 -0.64 0.18 2.92 1.01 -0.80 -2.75 120.40 117.51 1dgl s VAL 65 Ca 0.31 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.35 1dgl s VAL 65 Cb 0.03 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1dgl s VAL 65 CO 0.14 -0.06 -0.10 -0.94 0.00 0.00 0.00 175.10 174.15 1dgl s SER 66 N 2.58 2.04 0.18 3.32 1.04 -0.81 -1.87 113.70 120.18 1dgl s SER 66 Ca 0.09 -1.05 0.08 0.00 0.48 0.00 0.00 55.95 55.55 1dgl s SER 66 Cb -0.14 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.89 1dgl s SER 66 CO -0.15 -0.31 -0.16 -0.31 0.98 0.00 0.00 173.24 173.29 1dgl s TYR 67 N -3.23 1.71 0.14 5.02 1.51 -1.25 -1.64 117.35 119.60 1dgl s TYR 67 Ca 0.20 -0.53 -0.31 0.00 -1.01 0.00 0.00 57.07 55.42 1dgl s TYR 67 Cb 0.02 -0.83 -0.10 0.00 -0.11 0.00 0.00 41.96 40.95 1dgl s TYR 67 CO 0.04 0.32 1.66 -1.12 -1.11 0.00 0.00 175.55 175.33 1dgl s SER 68 N -2.98 6.53 0.00 2.29 0.01 -1.26 -3.04 113.70 115.26 1dgl s SER 68 Ca 0.18 2.64 0.00 0.00 1.31 0.00 0.00 55.95 60.09 1dgl s SER 68 Cb -0.03 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1dgl s SER 68 CO 0.06 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.43 1dgl n GLY 69 N 3.93 2.15 3.79 3.44 0.00 -1.26 -4.98 105.19 112.26 1dgl n GLY 69 Ca 0.15 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1dgl n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dgl s SER 70 N 0.00 5.83 0.83 1.61 0.01 -1.17 -5.02 113.70 115.78 1dgl s SER 70 Ca 0.00 1.92 -0.11 0.00 1.31 0.00 0.00 55.95 59.07 1dgl s SER 70 Cb 0.00 -2.55 0.09 0.00 0.21 0.00 0.00 66.02 63.77 1dgl s SER 70 CO 0.00 -1.14 1.14 -0.44 0.41 0.00 0.00 173.24 173.21 1dgl s SER 71 N -2.40 3.73 0.28 2.44 0.01 -1.26 -3.94 113.70 112.56 1dgl s SER 71 Ca 0.66 2.09 0.01 0.00 1.31 0.00 0.00 55.95 60.03 1dgl s SER 71 Cb -0.18 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.46 1dgl s SER 71 CO 0.32 -2.56 0.45 -0.94 0.41 0.00 0.00 173.24 170.92 1dgl s SER 72 N -2.80 6.33 -0.08 2.44 1.04 -1.26 -4.47 113.70 114.89 1dgl s SER 72 Ca 0.66 0.33 0.02 0.00 0.48 0.00 0.00 55.95 57.44 1dgl s SER 72 Cb -0.22 -1.98 0.01 0.00 0.10 0.00 0.00 66.02 63.94 1dgl s SER 72 CO 0.55 -0.16 -0.13 0.42 0.98 0.00 0.00 173.24 174.90 1dgl s THR 73 N -2.10 1.25 0.48 2.02 -4.23 -0.78 -4.93 115.64 107.35 1dgl s THR 73 Ca 0.38 -0.52 0.07 0.00 -1.18 0.00 0.00 61.69 60.44 1dgl s THR 73 Cb -0.10 -1.15 0.01 0.00 1.34 0.00 0.00 72.50 72.60 1dgl s THR 73 CO 0.32 0.39 0.39 0.42 -0.54 0.00 0.00 174.62 175.60 1dgl s THR 74 N 0.87 2.14 -0.29 3.99 -4.23 -1.26 -1.91 115.64 114.95 1dgl s THR 74 Ca -0.10 -1.43 -0.22 0.00 -1.18 0.00 0.00 61.69 58.76 1dgl s THR 74 Cb -0.15 -2.57 0.16 0.00 1.34 0.00 0.00 72.50 71.28 1dgl s THR 74 CO 0.01 0.00 1.16 0.54 -0.54 0.00 0.00 174.62 175.79 1dgl s VAL 75 N -2.63 0.00 0.33 2.29 0.11 -0.68 -4.78 120.40 115.05 1dgl s VAL 75 Ca 0.42 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.51 1dgl s VAL 75 Cb -0.02 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1dgl s VAL 75 CO 0.25 0.00 0.19 -0.44 -3.33 0.00 0.00 175.10 171.77 1dgl s SER 76 N 0.50 1.82 -0.30 3.54 0.01 -1.26 -1.85 113.70 116.17 1dgl s SER 76 Ca 0.00 -1.65 -0.15 0.00 1.31 0.00 0.00 55.95 55.47 1dgl s SER 76 Cb -0.04 0.48 0.15 0.00 0.21 0.00 0.00 66.02 66.81 1dgl s SER 76 CO -0.11 -0.96 0.91 -0.47 0.41 0.00 0.00 173.24 173.02 1dgl s TYR 77 N -3.48 -0.78 -0.11 2.43 5.04 -0.73 -4.82 117.35 114.90 1dgl s TYR 77 Ca 0.35 1.41 -0.30 0.00 -2.44 0.00 0.00 57.07 56.09 1dgl s TYR 77 Cb 0.04 0.47 -0.01 0.00 0.35 0.00 0.00 41.96 42.80 1dgl s TYR 77 CO 0.20 -0.39 1.01 -0.51 -1.34 0.00 0.00 175.55 174.53 1dgl s ASP 78 N 2.17 7.24 -0.04 4.32 1.11 -1.26 -1.53 116.67 128.68 1dgl s ASP 78 Ca -0.05 1.53 -0.28 0.00 0.18 0.00 0.00 52.55 53.93 1dgl s ASP 78 Cb -0.06 -2.56 0.06 0.00 1.07 0.00 0.00 42.92 41.43 1dgl s ASP 78 CO -0.17 -0.46 0.61 0.54 1.18 0.00 0.00 175.17 176.87 1dgl s VAL 79 N 2.05 0.01 -0.48 -1.27 0.11 0.13 -4.96 120.40 115.99 1dgl s VAL 79 Ca 0.48 -0.09 -0.10 0.00 -2.93 0.00 0.00 61.98 59.34 1dgl s VAL 79 Cb -0.18 -0.93 0.12 0.00 -1.53 0.00 0.00 36.38 33.86 1dgl s VAL 79 CO 0.18 -0.05 0.37 -0.62 -3.33 0.00 0.00 175.10 171.65 1dgl s ASP 80 N -1.26 5.78 0.66 3.54 2.15 -1.26 -4.31 116.67 121.97 1dgl s ASP 80 Ca -0.11 -1.90 0.43 0.00 0.43 0.00 0.00 52.55 51.39 1dgl s ASP 80 Cb -0.01 -2.04 2.35 0.00 -0.30 0.00 0.00 42.92 42.92 1dgl s ASP 80 CO 0.08 -0.72 2.34 -0.07 -0.17 0.00 0.00 175.17 176.64 1dgl h LEU 81 N 8.51 0.00 -0.42 -1.34 3.38 -1.97 -1.58 115.31 121.89 1dgl h LEU 81 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1dgl h LEU 81 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1dgl h LEU 81 CO 0.89 0.00 0.00 0.59 0.09 0.00 0.00 178.44 180.01 1dgl n ASN 82 N -3.13 0.25 -0.01 -0.43 4.13 -1.26 -0.35 115.26 114.46 1dgl n ASN 82 Ca -0.03 0.59 0.08 0.00 1.68 0.00 0.00 54.58 56.89 1dgl n ASN 82 Cb 0.09 -0.63 -0.12 0.00 -1.54 0.00 0.00 39.78 37.58 1dgl n ASN 82 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1dgl n ASN 83 N -1.80 1.50 -0.05 6.41 3.02 -0.60 -4.64 115.26 119.09 1dgl n ASN 83 Ca 0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.37 1dgl n ASN 83 Cb 0.11 1.69 -0.13 0.00 -0.61 0.00 0.00 39.78 40.84 1dgl n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1dgl n VAL 84 N -2.04 1.65 -4.05 2.41 0.31 -0.26 -5.01 118.33 111.34 1dgl n VAL 84 Ca -0.03 -0.62 -0.24 0.00 -0.01 0.00 0.00 64.34 63.44 1dgl n VAL 84 Cb 0.41 -1.58 -0.04 0.00 -0.91 0.00 0.00 33.84 31.72 1dgl n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1dgl s LEU 85 N -6.79 4.00 0.83 7.52 1.43 0.53 -4.98 118.68 121.21 1dgl s LEU 85 Ca -0.27 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 1dgl s LEU 85 Cb 0.08 -2.56 0.09 0.00 0.03 0.00 0.00 46.19 43.83 1dgl s LEU 85 CO 0.70 -0.00 1.12 -2.84 0.23 0.00 0.00 176.35 175.56 1dgl s PRO 86 N -3.57 1.79 0.15 1.29 0.02 -1.26 -4.78 135.00 128.65 1dgl s PRO 86 Ca 0.33 0.41 -0.14 0.00 0.02 0.00 0.00 61.00 61.61 1dgl s PRO 86 Cb -0.09 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 32.56 1dgl s PRO 86 CO 0.26 -1.77 1.73 0.93 -0.33 0.00 0.00 177.00 177.82 1dgl h GLU 87 N -1.19 0.71 -5.51 5.54 5.08 -1.96 -3.43 114.58 113.82 1dgl h GLU 87 Ca -0.48 -0.11 -0.64 0.00 -1.00 0.00 0.00 59.36 57.13 1dgl h GLU 87 Cb 1.30 -0.13 -0.16 0.00 0.50 0.00 0.00 28.75 30.26 1dgl h GLU 87 CO 0.62 0.60 -0.59 -1.58 -1.00 0.00 0.00 179.01 177.06 1dgl s TRP 88 N -5.68 3.21 0.30 4.33 0.52 -1.26 -0.80 118.94 119.55 1dgl s TRP 88 Ca -0.13 0.07 -0.03 0.00 0.02 0.00 0.00 56.10 56.03 1dgl s TRP 88 Cb 0.11 -1.96 -0.01 0.00 -1.15 0.00 0.00 33.47 30.46 1dgl s TRP 88 CO 0.76 0.26 0.39 0.14 0.02 0.00 0.00 176.95 178.52 1dgl s VAL 89 N -0.11 0.00 0.05 4.03 -7.23 -0.40 -4.11 120.40 112.62 1dgl s VAL 89 Ca 0.05 -1.68 0.07 0.00 -1.81 0.00 0.00 61.98 58.62 1dgl s VAL 89 Cb -0.12 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1dgl s VAL 89 CO 0.02 0.00 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.48 1dgl s ARG 90 N -3.50 1.28 0.45 4.82 0.52 -0.99 0.23 118.95 121.76 1dgl s ARG 90 Ca 0.31 -0.94 0.08 0.00 -0.52 0.00 0.00 55.73 54.66 1dgl s ARG 90 Cb 0.01 -1.40 0.02 0.00 0.52 0.00 0.00 34.95 34.11 1dgl s ARG 90 CO 0.17 0.35 0.62 0.14 0.02 0.00 0.00 175.30 176.60 1dgl s VAL 91 N -0.86 2.83 0.00 3.52 -7.23 -1.26 -1.57 120.40 115.83 1dgl s VAL 91 Ca 0.06 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.24 1dgl s VAL 91 Cb -0.09 -2.84 0.00 0.00 0.56 0.00 0.00 36.38 34.01 1dgl s VAL 91 CO 0.02 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.42 1dgl n GLY 92 N -1.93 -0.99 3.08 2.32 0.00 -0.60 -2.70 105.19 104.37 1dgl n GLY 92 Ca 0.09 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 1dgl n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dgl s LEU 93 N 0.00 2.23 0.12 0.99 1.43 -0.80 -0.77 118.68 121.88 1dgl s LEU 93 Ca 0.00 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.55 1dgl s LEU 93 Cb 0.00 -0.29 -0.03 0.00 0.03 0.00 0.00 46.19 45.91 1dgl s LEU 93 CO 0.00 -0.13 0.12 -0.94 0.23 0.00 0.00 176.35 175.63 1dgl s SER 94 N -1.42 0.24 0.21 2.29 1.04 -0.32 -1.54 113.70 114.19 1dgl s SER 94 Ca -0.06 -0.99 -0.23 0.00 0.48 0.00 0.00 55.95 55.15 1dgl s SER 94 Cb -0.09 0.32 0.05 0.00 0.10 0.00 0.00 66.02 66.40 1dgl s SER 94 CO 0.01 -0.75 0.78 0.00 0.98 0.00 0.00 173.24 174.26 1dgl s ALA 95 N -3.97 -1.44 0.20 5.32 0.00 -0.70 -0.45 121.76 120.72 1dgl s ALA 95 Ca 0.16 0.02 -0.23 0.00 0.00 0.00 0.00 51.96 51.91 1dgl s ALA 95 Cb 0.06 0.77 0.05 0.00 0.00 0.00 0.00 23.12 24.00 1dgl s ALA 95 CO -0.03 -0.98 0.71 0.95 0.00 0.00 0.00 175.76 176.41 1dgl s THR 96 N -3.67 0.00 0.03 0.00 -4.23 -1.17 -1.59 115.64 105.02 1dgl s THR 96 Ca 0.09 -0.51 0.01 0.00 -1.18 0.00 0.00 61.69 60.11 1dgl s THR 96 Cb -0.04 -1.54 -0.02 0.00 1.34 0.00 0.00 72.50 72.24 1dgl s THR 96 CO 0.02 0.00 -0.05 0.42 -0.54 0.00 0.00 174.62 174.46 1dgl s THR 97 N -3.74 0.33 0.00 3.99 -4.23 0.66 -1.73 115.64 110.92 1dgl s THR 97 Ca 0.07 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 1dgl s THR 97 Cb -0.03 -0.52 0.00 0.00 1.34 0.00 0.00 72.50 73.29 1dgl s THR 97 CO -0.02 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.19 1dgl n GLY 98 N 1.43 2.60 0.27 3.99 0.00 -1.26 -2.76 105.19 109.45 1dgl n GLY 98 Ca -0.23 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 1dgl n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1dgl h LEU 99 N 0.00 0.96-10.17 0.99 5.85 -1.97 -1.09 115.31 109.89 1dgl h LEU 99 Ca 0.00 -0.38 -0.46 0.00 0.84 0.00 0.00 57.88 57.87 1dgl h LEU 99 Cb 0.00 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1dgl h LEU 99 CO 0.00 1.13 -0.42 -0.31 -0.34 0.00 0.00 178.44 178.50 1dgl s TYR 100 N -4.71 3.19 0.23 1.25 2.02 -1.26 -4.89 117.35 113.18 1dgl s TYR 100 Ca -0.12 -0.15 -0.03 0.00 -0.37 0.00 0.00 57.07 56.40 1dgl s TYR 100 Cb 0.12 -1.73 -0.03 0.00 -0.40 0.00 0.00 41.96 39.92 1dgl s TYR 100 CO 0.86 0.25 0.25 -1.59 -1.57 0.00 0.00 175.55 173.74 1dgl s LYS 101 N -4.03 1.36 0.15 -0.62 -2.85 -1.25 -4.35 119.74 108.15 1dgl s LYS 101 Ca 0.39 -1.57 -0.25 0.00 -1.00 0.00 0.00 55.97 53.54 1dgl s LYS 101 Cb -0.08 0.33 0.06 0.00 -2.06 0.00 0.00 37.83 36.08 1dgl s LYS 101 CO 0.29 -0.49 0.93 -1.83 0.10 0.00 0.00 175.35 174.35 1dgl s GLU 102 N -4.01 1.20 -0.00 1.78 -1.05 -1.17 -3.92 118.70 111.53 1dgl s GLU 102 Ca 0.35 -0.65 -0.18 0.00 -0.15 0.00 0.00 54.97 54.34 1dgl s GLU 102 Cb 0.04 0.42 -0.06 0.00 -0.44 0.00 0.00 34.13 34.10 1dgl s GLU 102 CO 0.13 -0.55 0.51 0.95 0.95 0.00 0.00 175.26 177.25 1dgl s THR 103 N -3.32 4.94 -0.71 1.83 -4.23 0.14 -4.71 115.64 109.58 1dgl s THR 103 Ca 0.11 1.07 0.03 0.00 -1.18 0.00 0.00 61.69 61.73 1dgl s THR 103 Cb -0.02 -3.84 0.31 0.00 1.34 0.00 0.00 72.50 70.30 1dgl s THR 103 CO 0.01 0.48 1.11 0.59 -0.54 0.00 0.00 174.62 176.28 1dgl n ASN 104 N 2.36 5.02 -4.65 3.99 4.13 -1.26 -3.78 115.26 121.06 1dgl n ASN 104 Ca -0.10 -3.62 -0.42 0.00 1.68 0.00 0.00 54.58 52.12 1dgl n ASN 104 Cb 0.51 -0.75 -0.04 0.00 -1.54 0.00 0.00 39.78 37.97 1dgl n ASN 104 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1dgl s THR 105 N -3.90 4.82 -0.27 3.41 -4.23 -1.14 -2.64 115.64 111.69 1dgl s THR 105 Ca 0.44 1.67 -0.10 0.00 -1.18 0.00 0.00 61.69 62.51 1dgl s THR 105 Cb 0.22 -4.16 -0.05 0.00 1.34 0.00 0.00 72.50 69.86 1dgl s THR 105 CO -0.09 -0.06 0.17 -0.63 -0.54 0.00 0.00 174.62 173.47 1dgl s ILE 106 N 2.69 5.18 -0.11 2.99 -1.09 0.23 -1.01 121.20 130.07 1dgl s ILE 106 Ca 0.37 0.12 0.17 0.00 -2.23 0.00 0.00 60.65 59.09 1dgl s ILE 106 Cb -0.16 -3.46 -0.18 0.00 -1.58 0.00 0.00 42.46 37.08 1dgl s ILE 106 CO 0.09 0.27 0.67 0.18 -1.23 0.00 0.00 174.94 174.91 1dgl n LEU 107 N 4.99 0.68 -3.47 2.97 4.32 -0.11 -0.82 117.00 125.57 1dgl n LEU 107 Ca -0.14 0.30 -0.13 0.00 -0.02 0.00 0.00 56.01 56.02 1dgl n LEU 107 Cb 0.52 0.14 -0.03 0.00 -1.62 0.00 0.00 43.42 42.43 1dgl n LEU 107 CO 0.33 0.22 0.37 -0.94 -1.22 0.00 0.00 177.39 176.15 1dgl s SER 108 N -5.69 -0.53 -0.29 -1.43 1.04 -1.23 -4.29 113.70 101.28 1dgl s SER 108 Ca -0.05 0.09 -0.15 0.00 0.48 0.00 0.00 55.95 56.33 1dgl s SER 108 Cb 0.09 0.57 0.11 0.00 0.10 0.00 0.00 66.02 66.89 1dgl s SER 108 CO 0.82 -0.88 0.79 0.86 0.98 0.00 0.00 173.24 175.81 1dgl s TRP 109 N -3.24 -0.95 0.26 5.02 -0.00 -0.81 -1.99 118.94 117.23 1dgl s TRP 109 Ca -0.01 1.82 0.05 0.00 -0.00 0.00 0.00 56.10 57.96 1dgl s TRP 109 Cb -0.01 0.57 -0.06 0.00 -0.00 0.00 0.00 33.47 33.98 1dgl s TRP 109 CO -0.08 -0.47 -0.01 -1.12 -0.00 0.00 0.00 176.95 175.26 1dgl s SER 110 N 1.87 2.24 -0.28 5.86 0.01 -0.09 -1.02 113.70 122.29 1dgl s SER 110 Ca -0.08 -1.24 -0.24 0.00 1.31 0.00 0.00 55.95 55.70 1dgl s SER 110 Cb -0.06 -0.07 0.11 0.00 0.21 0.00 0.00 66.02 66.22 1dgl s SER 110 CO -0.18 -0.47 0.96 0.12 0.41 0.00 0.00 173.24 174.07 1dgl s PHE 111 N -3.26 -0.56 -0.07 2.43 5.36 -1.04 -2.04 117.98 118.79 1dgl s PHE 111 Ca 0.30 1.33 -0.03 0.00 -0.96 0.00 0.00 56.93 57.57 1dgl s PHE 111 Cb 0.06 0.35 0.04 0.00 -0.34 0.00 0.00 43.02 43.13 1dgl s PHE 111 CO 0.11 -0.27 0.17 0.99 -1.46 0.00 0.00 175.22 174.76 1dgl s THR 112 N 0.39 -0.05 0.05 0.12 2.01 -0.65 -2.10 115.64 115.42 1dgl s THR 112 Ca 0.01 0.17 0.06 0.00 0.31 0.00 0.00 61.69 62.25 1dgl s THR 112 Cb -0.05 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 1dgl s THR 112 CO -0.06 0.07 -0.17 -0.55 -0.69 0.00 0.00 174.62 173.22 1dgl s SER 113 N 1.19 2.04 -0.01 3.53 0.15 -0.59 -0.77 113.70 119.24 1dgl s SER 113 Ca -0.09 -0.52 -0.00 0.00 0.70 0.00 0.00 55.95 56.03 1dgl s SER 113 Cb -0.11 -0.14 0.01 0.00 -1.71 0.00 0.00 66.02 64.07 1dgl s SER 113 CO -0.07 0.07 0.02 -0.54 1.20 0.00 0.00 173.24 173.92 1dgl s LYS 114 N -1.32 0.00 -0.36 5.44 1.02 -1.00 -1.90 119.74 121.62 1dgl s LYS 114 Ca 0.04 0.05 0.02 0.00 0.02 0.00 0.00 55.97 56.10 1dgl s LYS 114 Cb -0.09 -0.05 0.11 0.00 -0.52 0.00 0.00 37.83 37.28 1dgl s LYS 114 CO 0.02 -0.04 0.12 -1.17 -0.92 0.00 0.00 175.35 173.36 1dgl s LEU 115 N 0.24 3.40 0.87 3.17 2.96 -0.99 -1.33 118.68 127.00 1dgl s LEU 115 Ca -0.02 -2.13 -0.11 0.00 -0.22 0.00 0.00 54.13 51.65 1dgl s LEU 115 Cb -0.03 -1.24 0.16 0.00 0.50 0.00 0.00 46.19 45.59 1dgl s LEU 115 CO -0.01 -0.36 1.21 -0.54 -1.32 0.00 0.00 176.35 175.33 1dgl s LYS 116 N 0.96 1.10 0.00 1.98 1.02 0.58 -2.25 119.74 123.13 1dgl s LYS 116 Ca 0.12 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.57 1dgl s LYS 116 Cb -0.20 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 1dgl s LYS 116 CO -0.12 -2.03 0.00 0.25 -0.92 0.00 0.00 175.35 172.52 1dgl n THR 117 N -3.44 0.00 -1.02 2.17 -2.24 -1.26 -2.33 114.28 106.16 1dgl n THR 117 Ca 0.14 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.76 1dgl n THR 117 Cb 0.60 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.69 1dgl n THR 117 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1dgl n ASN 118 N 0.00 5.65 0.00 3.42 4.13 -1.26 -4.85 115.26 122.35 1dgl n ASN 118 Ca 0.00 -2.47 0.00 0.00 1.68 0.00 0.00 54.58 53.79 1dgl n ASN 118 Cb 0.00 -1.40 0.00 0.00 -1.54 0.00 0.00 39.78 36.84 1dgl n ASN 118 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1dgl n SER 119 N 2.70 0.00 -3.33 6.41 2.88 -1.26 -4.98 113.62 116.04 1dgl n SER 119 Ca 0.47 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.63 1dgl n SER 119 Cb 0.78 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.24 1dgl n SER 119 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dgl n ILE 120 N -0.32 5.07 -3.24 2.46 0.13 -1.26 -4.57 119.36 117.63 1dgl n ILE 120 Ca 0.00 -4.60 -0.10 0.00 -1.10 0.00 0.00 62.75 56.95 1dgl n ILE 120 Cb 0.00 -1.78 -0.04 0.00 -0.84 0.00 0.00 39.64 36.98 1dgl n ILE 120 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1dgl s ALA 121 N -2.41 -1.18 -0.21 1.51 0.00 -1.26 -5.11 121.76 113.10 1dgl s ALA 121 Ca 0.50 -0.61 -0.28 0.00 0.00 0.00 0.00 51.96 51.57 1dgl s ALA 121 Cb 0.24 -2.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 1dgl s ALA 121 CO -0.15 -2.18 2.15 -0.51 0.00 0.00 0.00 175.76 175.07 1dgl s ASP 122 N 1.40 5.59 0.21 0.00 1.01 -1.26 -4.66 116.67 118.96 1dgl s ASP 122 Ca 0.19 1.89 0.04 0.00 0.71 0.00 0.00 52.55 55.39 1dgl s ASP 122 Cb -0.08 -2.51 0.24 0.00 1.01 0.00 0.00 42.92 41.57 1dgl s ASP 122 CO -0.05 -1.85 0.90 0.00 0.21 0.00 0.00 175.17 174.37 1dgl n ALA 123 N 11.17 0.32 -3.51 5.23 0.00 -0.95 -4.24 120.51 128.53 1dgl n ALA 123 Ca 0.28 0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.62 1dgl n ALA 123 Cb 0.45 -0.38 -0.05 0.00 0.00 0.00 0.00 19.45 19.48 1dgl n ALA 123 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1dgl s ASN 124 N -2.73 -0.53 -0.03 0.00 3.84 -1.19 -5.01 114.94 109.29 1dgl s ASN 124 Ca -0.00 0.42 -0.30 0.00 0.21 0.00 0.00 52.86 53.19 1dgl s ASN 124 Cb 0.01 0.47 0.07 0.00 -0.55 0.00 0.00 41.25 41.26 1dgl s ASN 124 CO 0.04 -0.61 0.70 -0.55 -2.79 0.00 0.00 177.10 173.89 1dgl s SER 125 N -1.62 -0.62 -0.20 -4.21 0.15 -1.26 -2.34 113.70 103.60 1dgl s SER 125 Ca -0.04 0.59 -0.16 0.00 0.70 0.00 0.00 55.95 57.03 1dgl s SER 125 Cb -0.00 0.53 0.06 0.00 -1.71 0.00 0.00 66.02 64.89 1dgl s SER 125 CO 0.01 -0.64 0.52 -0.22 1.20 0.00 0.00 173.24 174.12 1dgl s LEU 126 N -1.41 -0.13 -0.17 3.45 1.98 -0.80 -4.98 118.68 116.62 1dgl s LEU 126 Ca -0.08 1.08 -0.15 0.00 -2.89 0.00 0.00 54.13 52.08 1dgl s LEU 126 Cb -0.00 1.78 0.05 0.00 0.66 0.00 0.00 46.19 48.67 1dgl s LEU 126 CO 0.06 -0.19 0.45 -2.28 -1.89 0.00 0.00 176.35 172.50 1dgl s HIS 127 N 0.65 -0.52 0.04 5.38 2.46 -1.26 -1.54 115.29 120.50 1dgl s HIS 127 Ca -0.03 1.25 -0.04 0.00 0.47 0.00 0.00 55.06 56.71 1dgl s HIS 127 Cb -0.05 0.19 -0.02 0.00 -0.13 0.00 0.00 32.58 32.58 1dgl s HIS 127 CO -0.04 -0.26 0.05 -0.59 -2.47 0.00 0.00 174.74 171.43 1dgl s PHE 128 N 0.43 0.29 -0.25 3.88 -0.12 -0.89 -5.02 117.98 116.30 1dgl s PHE 128 Ca -0.02 -0.67 -0.13 0.00 -0.05 0.00 0.00 56.93 56.06 1dgl s PHE 128 Cb -0.04 -0.21 0.08 0.00 -0.63 0.00 0.00 43.02 42.22 1dgl s PHE 128 CO -0.02 -0.36 0.61 0.45 -0.05 0.00 0.00 175.22 175.84 1dgl s SER 129 N -2.33 -0.83 -0.10 1.98 0.15 -1.26 -2.51 113.70 108.80 1dgl s SER 129 Ca -0.02 1.35 0.02 0.00 0.70 0.00 0.00 55.95 58.00 1dgl s SER 129 Cb 0.01 1.33 0.01 0.00 -1.71 0.00 0.00 66.02 65.66 1dgl s SER 129 CO -0.06 -0.23 -0.17 -0.36 1.20 0.00 0.00 173.24 173.62 1dgl s PHE 130 N 1.75 2.04 -0.57 3.44 0.08 -0.19 -4.97 117.98 119.57 1dgl s PHE 130 Ca -0.09 -0.89 0.09 0.00 0.12 0.00 0.00 56.93 56.16 1dgl s PHE 130 Cb -0.07 -1.44 -0.08 0.00 -0.57 0.00 0.00 43.02 40.87 1dgl s PHE 130 CO -0.18 -0.42 0.46 0.72 -0.10 0.00 0.00 175.22 175.70 1dgl n HIS 131 N 3.92 0.00 -3.51 0.36 8.25 -1.26 -1.93 115.22 121.05 1dgl n HIS 131 Ca -0.20 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.11 1dgl n HIS 131 Cb 0.52 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.58 1dgl n HIS 131 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1dgl s GLN 132 N -1.75 0.98 -0.15 -0.41 -2.07 -1.26 -4.74 119.66 110.26 1dgl s GLN 132 Ca 0.05 0.08 -0.04 0.00 -1.82 0.00 0.00 55.36 53.63 1dgl s GLN 132 Cb 0.07 0.46 -0.03 0.00 -1.09 0.00 0.00 33.01 32.42 1dgl s GLN 132 CO 0.35 -0.34 -0.03 -0.06 -1.32 0.00 0.00 175.29 173.89 1dgl s PHE 133 N -1.72 3.05 0.63 9.60 0.40 -0.45 -5.02 117.98 124.46 1dgl s PHE 133 Ca -0.06 -0.22 -0.18 0.00 -0.60 0.00 0.00 56.93 55.87 1dgl s PHE 133 Cb -0.00 -1.94 -0.02 0.00 0.51 0.00 0.00 43.02 41.57 1dgl s PHE 133 CO 0.03 0.04 1.25 -1.12 0.70 0.00 0.00 175.22 176.12 1dgl s SER 134 N 0.20 4.84 0.00 1.36 0.01 -1.26 -4.27 113.70 114.58 1dgl s SER 134 Ca -0.02 2.51 0.17 0.00 1.31 0.00 0.00 55.95 59.93 1dgl s SER 134 Cb -0.14 -2.61 0.98 0.00 0.21 0.00 0.00 66.02 64.46 1dgl s SER 134 CO 0.03 -1.84 1.44 0.00 0.41 0.00 0.00 173.24 173.27 1dgl n GLN 135 N -1.81 0.47 -2.87 12.44 6.02 -1.26 -3.32 117.38 127.05 1dgl n GLN 135 Ca 0.15 0.03 -0.12 0.00 -0.01 0.00 0.00 57.00 57.05 1dgl n GLN 135 Cb 0.49 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.26 1dgl n GLN 135 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1dgl n ASN 136 N -1.07 -2.09 -4.64 1.08 4.05 -1.26 -4.88 115.26 106.45 1dgl n ASN 136 Ca 0.12 -3.13 -0.42 0.00 0.45 0.00 0.00 54.58 51.59 1dgl n ASN 136 Cb 0.08 1.17 -0.03 0.00 1.23 0.00 0.00 39.78 42.22 1dgl n ASN 136 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1dgl s PRO 137 N 0.20 3.88 0.00 1.20 0.04 -1.21 -4.79 135.00 134.31 1dgl s PRO 137 Ca 0.33 2.18 0.27 0.00 0.04 0.00 0.00 61.00 63.81 1dgl s PRO 137 Cb 0.21 -4.13 0.94 0.00 0.04 0.00 0.00 34.50 31.56 1dgl s PRO 137 CO -0.21 -1.23 1.68 1.63 0.04 0.00 0.00 177.00 178.91 1dgl n LYS 138 N 7.71 1.73 0.00 4.56 5.02 -1.26 -3.81 118.16 132.11 1dgl n LYS 138 Ca 0.21 -1.07 0.07 0.00 -2.02 0.00 0.00 58.31 55.50 1dgl n LYS 138 Cb 0.43 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.93 1dgl n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1dgl n ASP 139 N 0.29 1.07 -4.85 4.39 5.68 -1.26 -4.95 116.55 116.91 1dgl n ASP 139 Ca 0.18 -1.03 -0.31 0.00 -0.50 0.00 0.00 54.79 53.13 1dgl n ASP 139 Cb 0.37 0.78 -0.05 0.00 -1.14 0.00 0.00 41.12 41.08 1dgl n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1dgl s LEU 140 N -2.42 4.12 -0.29 -2.12 1.43 -1.25 0.22 118.68 118.38 1dgl s LEU 140 Ca 0.09 0.17 -0.08 0.00 -1.03 0.00 0.00 54.13 53.27 1dgl s LEU 140 Cb 0.12 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 1dgl s LEU 140 CO 0.52 0.19 0.11 -0.63 0.23 0.00 0.00 176.35 176.77 1dgl s ILE 141 N -1.42 4.36 -0.25 -0.59 1.01 0.28 -4.85 121.20 119.73 1dgl s ILE 141 Ca 0.31 -0.40 -0.10 0.00 0.00 0.00 0.00 60.65 60.46 1dgl s ILE 141 Cb -0.13 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1dgl s ILE 141 CO 0.24 0.16 0.15 -0.76 0.00 0.00 0.00 174.94 174.72 1dgl s LEU 142 N 1.59 3.91 -0.04 2.97 1.43 -1.26 -1.07 118.68 126.21 1dgl s LEU 142 Ca 0.05 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 1dgl s LEU 142 Cb -0.16 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 1dgl s LEU 142 CO 0.05 0.01 -0.14 -1.10 0.23 0.00 0.00 176.35 175.39 1dgl s GLN 143 N 1.40 2.48 4.76 1.70 -0.21 0.11 -4.97 119.66 124.94 1dgl s GLN 143 Ca 0.07 -0.71 0.00 0.00 0.02 0.00 0.00 55.36 54.74 1dgl s GLN 143 Cb -0.15 -2.37 0.00 0.00 1.00 0.00 0.00 33.01 31.50 1dgl s GLN 143 CO 0.07 0.62 0.00 0.41 -2.12 0.00 0.00 175.29 174.27 1dgl n GLY 144 N 2.27 1.31 0.65 3.09 0.00 -1.26 -1.27 105.19 109.98 1dgl n GLY 144 Ca -0.17 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.17 1dgl n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dgl n ASP 145 N 2.96 1.87 -4.75 1.61 8.00 -0.68 -4.92 116.55 120.65 1dgl n ASP 145 Ca 0.00 -2.05 -0.41 0.00 0.71 0.00 0.00 54.79 53.04 1dgl n ASP 145 Cb 0.00 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 40.82 1dgl n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dgl s ALA 146 N -1.59 3.62 -0.22 2.24 0.00 -1.17 -4.25 121.76 120.38 1dgl s ALA 146 Ca 0.22 1.37 -0.26 0.00 0.00 0.00 0.00 51.96 53.28 1dgl s ALA 146 Cb 0.12 -3.56 0.08 0.00 0.00 0.00 0.00 23.12 19.75 1dgl s ALA 146 CO 0.14 -0.78 0.74 -0.59 0.00 0.00 0.00 175.76 175.27 1dgl s PHE 147 N -0.24 -0.72 -0.05 0.00 -0.71 -0.13 -4.79 117.98 111.34 1dgl s PHE 147 Ca 0.58 1.66 -0.17 0.00 -1.04 0.00 0.00 56.93 57.95 1dgl s PHE 147 Cb -0.43 0.31 -0.05 0.00 -1.21 0.00 0.00 43.02 41.65 1dgl s PHE 147 CO 0.47 -0.42 0.47 0.95 -1.34 0.00 0.00 175.22 175.35 1dgl s THR 148 N -0.01 5.07 0.45 -4.49 -4.23 -1.26 -0.21 115.64 110.95 1dgl s THR 148 Ca -0.02 0.96 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 1dgl s THR 148 Cb -0.04 -3.80 0.09 0.00 1.34 0.00 0.00 72.50 70.09 1dgl s THR 148 CO 0.02 0.44 0.61 -0.90 -0.54 0.00 0.00 174.62 174.26 1dgl n ASP 149 N 2.80 0.86 0.27 3.99 5.68 -0.56 -4.90 116.55 124.69 1dgl n ASP 149 Ca -0.10 -1.72 0.12 0.00 -0.50 0.00 0.00 54.79 52.59 1dgl n ASP 149 Cb 0.52 -0.40 0.74 0.00 -1.14 0.00 0.00 41.12 40.84 1dgl n ASP 149 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1dgl h SER 150 N -0.35 0.00 0.19 -1.12 4.64 -1.96 -1.60 113.55 113.36 1dgl h SER 150 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1dgl h SER 150 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1dgl h SER 150 CO 0.22 0.10 -0.11 0.47 -0.87 0.00 0.00 176.83 176.64 1dgl n ASP 151 N -3.81 0.85 -1.02 4.97 8.00 -1.26 -4.93 116.55 119.34 1dgl n ASP 151 Ca -0.02 -0.94 -0.04 0.00 0.71 0.00 0.00 54.79 54.50 1dgl n ASP 151 Cb 0.20 0.01 0.01 0.00 -0.02 0.00 0.00 41.12 41.32 1dgl n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dgl n GLY 152 N 1.24 0.69 3.24 0.44 0.00 -0.60 -4.87 105.19 105.32 1dgl n GLY 152 Ca 0.16 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 1dgl n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dgl s ASN 153 N -3.06 2.84 0.07 1.61 0.01 -1.26 -1.34 114.94 113.81 1dgl s ASN 153 Ca 0.08 -0.47 -0.30 0.00 -0.71 0.00 0.00 52.86 51.46 1dgl s ASN 153 Cb -0.04 -0.73 -0.05 0.00 0.41 0.00 0.00 41.25 40.85 1dgl s ASN 153 CO 0.11 0.23 0.99 -0.22 -1.51 0.00 0.00 177.10 176.70 1dgl s LEU 154 N -0.17 4.45 -0.40 0.60 2.96 0.00 -1.50 118.68 124.63 1dgl s LEU 154 Ca -0.02 1.77 0.01 0.00 -0.22 0.00 0.00 54.13 55.67 1dgl s LEU 154 Cb -0.13 -3.58 0.11 0.00 0.50 0.00 0.00 46.19 43.09 1dgl s LEU 154 CO 0.03 -0.16 0.16 -1.61 -1.32 0.00 0.00 176.35 173.45 1dgl s GLU 155 N 0.39 1.82 0.36 1.98 0.41 0.71 -0.60 118.70 123.76 1dgl s GLU 155 Ca 0.49 -1.95 0.05 0.00 -0.41 0.00 0.00 54.97 53.15 1dgl s GLU 155 Cb -0.23 -3.42 0.70 0.00 -1.78 0.00 0.00 34.13 29.40 1dgl s GLU 155 CO 0.29 -1.03 1.96 -0.07 -0.49 0.00 0.00 175.26 175.93 1dgl h LEU 156 N 7.68 0.53 -8.51 1.80 3.38 -1.77 -0.32 115.31 118.10 1dgl h LEU 156 Ca -0.08 -0.05 -0.47 0.00 0.09 0.00 0.00 57.88 57.37 1dgl h LEU 156 Cb 1.02 -0.14 -0.22 0.00 0.09 0.00 0.00 40.66 41.42 1dgl h LEU 156 CO 0.62 0.48 -0.80 0.42 0.09 0.00 0.00 178.44 179.26 1dgl s THR 157 N -5.29 1.34 0.20 0.22 -4.23 -1.26 -3.05 115.64 103.57 1dgl s THR 157 Ca -0.08 -1.40 -0.31 0.00 -1.18 0.00 0.00 61.69 58.72 1dgl s THR 157 Cb 0.17 -1.26 -0.15 0.00 1.34 0.00 0.00 72.50 72.59 1dgl s THR 157 CO 0.75 -0.16 1.05 0.29 -0.54 0.00 0.00 174.62 176.01 1dgl n LYS 158 N 1.20 1.07 -4.18 3.99 5.02 -1.26 -4.72 118.16 119.28 1dgl n LYS 158 Ca -0.21 0.38 -0.11 0.00 -2.02 0.00 0.00 58.31 56.35 1dgl n LYS 158 Cb 0.54 -1.79 -0.10 0.00 -0.02 0.00 0.00 35.03 33.66 1dgl n LYS 158 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1dgl s VAL 159 N -0.51 0.31 0.57 -0.18 -7.23 -1.26 -1.61 120.40 110.49 1dgl s VAL 159 Ca 0.69 -1.93 0.04 0.00 -1.81 0.00 0.00 61.98 58.97 1dgl s VAL 159 Cb -0.83 -2.06 0.06 0.00 0.56 0.00 0.00 36.38 34.12 1dgl s VAL 159 CO 0.55 -0.48 0.78 -0.94 -0.31 0.00 0.00 175.10 174.70 1dgl s SER 160 N -3.09 5.10 0.23 4.85 1.04 0.13 -4.91 113.70 117.05 1dgl s SER 160 Ca 0.24 -0.39 -0.07 0.00 0.48 0.00 0.00 55.95 56.20 1dgl s SER 160 Cb 0.07 -0.33 0.22 0.00 0.10 0.00 0.00 66.02 66.08 1dgl s SER 160 CO 0.02 -1.28 1.90 0.77 0.98 0.00 0.00 173.24 175.64 1dgl h SER 161 N 0.08 1.07 0.43 7.02 4.64 -2.02 0.13 113.55 124.91 1dgl h SER 161 Ca -0.37 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1dgl h SER 161 Cb 1.28 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1dgl h SER 161 CO 0.45 0.79 0.00 -1.54 -0.87 0.00 0.00 176.83 175.66 1dgl n SER 162 N -4.42 0.03 0.00 4.97 3.41 -1.26 -4.87 113.62 111.48 1dgl n SER 162 Ca 0.10 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 1dgl n SER 162 Cb 0.03 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 1dgl n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dgl n GLY 163 N -0.22 3.26 3.69 5.00 0.00 0.46 -5.07 105.19 112.31 1dgl n GLY 163 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1dgl n GLY 163 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dgl n ASP 164 N 0.00 2.87 -4.81 1.61 8.00 -1.26 -4.36 116.55 118.60 1dgl n ASP 164 Ca 0.00 1.17 -0.33 0.00 0.71 0.00 0.00 54.79 56.33 1dgl n ASP 164 Cb 0.00 -1.47 -0.03 0.00 -0.02 0.00 0.00 41.12 39.61 1dgl n ASP 164 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1dgl s PRO 165 N -0.97 3.75 0.17 -0.24 0.02 -1.26 0.20 135.00 136.67 1dgl s PRO 165 Ca 0.63 1.26 0.06 0.00 0.02 0.00 0.00 61.00 62.97 1dgl s PRO 165 Cb -0.60 -2.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.78 1dgl s PRO 165 CO 0.54 -0.46 0.04 -0.65 -0.33 0.00 0.00 177.00 176.14 1dgl s GLN 166 N -3.50 2.55 0.86 5.54 -1.52 -0.63 -4.86 119.66 118.10 1dgl s GLN 166 Ca 0.65 -1.02 -0.13 0.00 -1.95 0.00 0.00 55.36 52.91 1dgl s GLN 166 Cb -0.15 -2.45 0.20 0.00 -0.22 0.00 0.00 33.01 30.39 1dgl s GLN 166 CO 0.24 0.47 1.17 0.41 -0.25 0.00 0.00 175.29 177.33 1dgl n GLY 167 N -0.13 -1.15 3.75 3.09 0.00 -1.26 -4.40 105.19 105.09 1dgl n GLY 167 Ca -0.09 -1.76 -0.28 0.00 0.00 0.00 0.00 46.02 43.89 1dgl n GLY 167 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dgl n ASN 168 N -3.65 -1.47 -4.58 1.61 5.03 -0.41 -4.85 115.26 106.94 1dgl n ASN 168 Ca 0.15 -0.70 -0.33 0.00 0.87 0.00 0.00 54.58 54.57 1dgl n ASN 168 Cb 0.53 -1.32 -0.11 0.00 -1.02 0.00 0.00 39.78 37.86 1dgl n ASN 168 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1dgl s SER 169 N -2.72 4.60 -0.06 6.41 1.04 -1.11 -4.88 113.70 116.97 1dgl s SER 169 Ca 0.55 -0.07 0.05 0.00 0.48 0.00 0.00 55.95 56.96 1dgl s SER 169 Cb -0.32 -1.12 -0.02 0.00 0.10 0.00 0.00 66.02 64.66 1dgl s SER 169 CO 0.68 0.34 -0.19 -0.69 0.98 0.00 0.00 173.24 174.35 1dgl s VAL 170 N -0.86 2.59 -0.09 5.02 1.01 -1.26 -0.25 120.40 126.56 1dgl s VAL 170 Ca 0.14 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 1dgl s VAL 170 Cb -0.11 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1dgl s VAL 170 CO 0.03 0.57 0.23 -0.83 0.00 0.00 0.00 175.10 175.11 1dgl s GLY 171 N -0.41 -0.17 -0.00 4.51 0.00 -0.62 -1.69 107.32 108.94 1dgl s GLY 171 Ca 0.04 0.69 -0.04 0.00 0.00 0.00 0.00 44.72 45.41 1dgl s GLY 171 CO 0.02 0.63 0.08 0.50 0.00 0.00 0.00 173.10 174.33 1dgl s ARG 172 N 0.24 0.32 -0.15 2.90 0.52 -0.40 -1.72 118.95 120.66 1dgl s ARG 172 Ca -0.01 -0.29 -0.04 0.00 -0.52 0.00 0.00 55.73 54.87 1dgl s ARG 172 Cb -0.03 0.13 0.06 0.00 0.52 0.00 0.00 34.95 35.63 1dgl s ARG 172 CO -0.01 -0.06 0.12 0.00 0.02 0.00 0.00 175.30 175.37 1dgl s ALA 173 N -0.95 0.20 -0.04 2.13 0.00 -0.59 0.09 121.76 122.61 1dgl s ALA 173 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1dgl s ALA 173 Cb -0.06 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 1dgl s ALA 173 CO 0.00 -1.00 -0.01 -0.51 0.00 0.00 0.00 175.76 174.25 1dgl s LEU 174 N 2.20 3.50 0.46 0.00 1.43 -0.23 -1.90 118.68 124.14 1dgl s LEU 174 Ca 0.04 0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 52.94 1dgl s LEU 174 Cb -0.15 -1.92 -0.07 0.00 0.03 0.00 0.00 46.19 44.08 1dgl s LEU 174 CO -0.08 0.32 1.25 0.12 0.23 0.00 0.00 176.35 178.19 1dgl s PHE 175 N -0.99 2.74 0.22 0.29 5.36 -1.10 -0.56 117.98 123.95 1dgl s PHE 175 Ca 0.17 1.46 -0.07 0.00 -0.96 0.00 0.00 56.93 57.53 1dgl s PHE 175 Cb -0.11 -3.56 0.19 0.00 -0.34 0.00 0.00 43.02 39.20 1dgl s PHE 175 CO 0.07 -1.97 1.81 -0.92 -1.46 0.00 0.00 175.22 172.75 1dgl h TYR 176 N 2.14 1.23 -3.30 10.12 5.03 -0.56 -3.43 116.97 128.20 1dgl h TYR 176 Ca -0.50 -0.07 -0.56 0.00 2.58 0.00 0.00 58.73 60.18 1dgl h TYR 176 Cb 1.26 -0.38 -0.04 0.00 1.55 0.00 0.00 36.73 39.12 1dgl h TYR 176 CO 0.52 0.89 0.01 0.00 -1.32 0.00 0.00 178.16 178.26 1dgl s ALA 177 N -5.67 3.54 0.24 1.82 0.00 -1.26 -5.03 121.76 115.40 1dgl s ALA 177 Ca -0.12 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.63 1dgl s ALA 177 Cb 0.16 -2.72 -0.10 0.00 0.00 0.00 0.00 23.12 20.46 1dgl s ALA 177 CO 0.84 0.32 1.43 -2.14 0.00 0.00 0.00 175.76 176.21 1dgl s PRO 178 N -0.88 4.28 -0.12 0.00 0.02 -1.26 -4.79 135.00 132.25 1dgl s PRO 178 Ca 0.31 2.28 -0.12 0.00 0.02 0.00 0.00 61.00 63.49 1dgl s PRO 178 Cb -0.20 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.16 1dgl s PRO 178 CO 0.20 -0.41 0.27 0.08 -0.33 0.00 0.00 177.00 176.81 1dgl s VAL 179 N 0.06 5.30 -0.91 3.83 1.01 0.14 -4.90 120.40 124.92 1dgl s VAL 179 Ca 0.60 0.51 -0.18 0.00 0.00 0.00 0.00 61.98 62.90 1dgl s VAL 179 Cb -0.41 -3.58 0.15 0.00 0.00 0.00 0.00 36.38 32.53 1dgl s VAL 179 CO 0.42 0.50 1.06 -2.28 0.00 0.00 0.00 175.10 174.80 1dgl s HIS 180 N -0.28 3.23 0.25 5.22 2.46 -1.26 -1.28 115.29 123.63 1dgl s HIS 180 Ca 0.17 -1.48 0.24 0.00 0.47 0.00 0.00 55.06 54.46 1dgl s HIS 180 Cb -0.13 -4.20 1.09 0.00 -0.13 0.00 0.00 32.58 29.20 1dgl s HIS 180 CO 0.06 -1.40 1.91 0.97 -2.47 0.00 0.00 174.74 173.80 1dgl h ILE 181 N 5.65 0.62 -2.54 0.89 6.09 -1.27 -3.47 117.51 123.48 1dgl h ILE 181 Ca 0.14 -0.96 0.10 0.00 -1.37 0.00 0.00 64.86 62.78 1dgl h ILE 181 Cb 1.03 1.62 -0.11 0.00 0.47 0.00 0.00 36.82 39.83 1dgl h ILE 181 CO 1.05 0.21 0.40 0.86 -3.07 0.00 0.00 178.15 177.59 1dgl s TRP 182 N -3.86 -0.29 -0.05 2.19 -0.11 -1.19 -4.83 118.94 110.79 1dgl s TRP 182 Ca -0.01 0.04 -0.27 0.00 1.22 0.00 0.00 56.10 57.08 1dgl s TRP 182 Cb 0.12 0.60 0.06 0.00 -1.50 0.00 0.00 33.47 32.74 1dgl s TRP 182 CO 0.63 -0.79 0.60 -2.00 -4.62 0.00 0.00 176.95 170.76 1dgl s GLU 183 N -3.41 0.96 0.20 5.86 2.12 -1.26 -4.69 118.70 118.48 1dgl s GLU 183 Ca 0.07 0.20 -0.17 0.00 0.36 0.00 0.00 54.97 55.44 1dgl s GLU 183 Cb -0.02 0.45 0.18 0.00 0.26 0.00 0.00 34.13 35.01 1dgl s GLU 183 CO -0.04 -0.29 1.61 1.57 -0.54 0.00 0.00 175.26 177.58 1dgl h LYS 184 N 3.30 -0.08 0.00 4.30 2.10 -2.02 -1.71 116.57 122.46 1dgl h LYS 184 Ca -0.28 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1dgl h LYS 184 Cb 1.15 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1dgl h LYS 184 CO 0.38 -0.05 0.00 -1.13 -2.00 0.00 0.00 179.45 176.64 1dgl n SER 185 N -5.43 0.59 -4.64 7.07 3.41 -1.26 -4.90 113.62 108.46 1dgl n SER 185 Ca 0.06 0.61 -0.41 0.00 -0.26 0.00 0.00 58.87 58.87 1dgl n SER 185 Cb 0.34 -0.75 0.02 0.00 -0.26 0.00 0.00 64.21 63.56 1dgl n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dgl n ALA 186 N -1.73 0.54 -0.12 7.33 0.00 -0.65 -4.95 120.51 120.94 1dgl n ALA 186 Ca 0.04 0.22 -0.22 0.00 0.00 0.00 0.00 53.44 53.47 1dgl n ALA 186 Cb 0.30 -2.15 -0.09 0.00 0.00 0.00 0.00 19.45 17.51 1dgl n ALA 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1dgl n VAL 187 N -0.54 1.52 -4.22 0.00 0.31 -0.98 -4.99 118.33 109.42 1dgl n VAL 187 Ca 0.09 -0.15 -0.20 0.00 -0.01 0.00 0.00 64.34 64.07 1dgl n VAL 187 Cb 0.40 -2.04 -0.12 0.00 -0.91 0.00 0.00 33.84 31.17 1dgl n VAL 187 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1dgl s VAL 188 N -2.49 1.34 -0.14 2.52 1.01 -1.25 -4.93 120.40 116.45 1dgl s VAL 188 Ca -0.32 -1.46 -0.04 0.00 0.00 0.00 0.00 61.98 60.16 1dgl s VAL 188 Cb 0.09 -1.31 0.07 0.00 0.00 0.00 0.00 36.38 35.24 1dgl s VAL 188 CO 0.49 -0.21 0.25 0.00 0.00 0.00 0.00 175.10 175.62 1dgl s ALA 189 N -1.40 -0.47 0.38 5.51 0.00 -1.26 -0.31 121.76 124.21 1dgl s ALA 189 Ca 0.03 0.76 0.04 0.00 0.00 0.00 0.00 51.96 52.78 1dgl s ALA 189 Cb -0.09 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 1dgl s ALA 189 CO 0.03 -0.76 0.11 -1.54 0.00 0.00 0.00 175.76 173.60 1dgl s SER 190 N 2.39 2.59 -0.24 0.00 1.04 -0.44 -1.38 113.70 117.66 1dgl s SER 190 Ca 0.03 -1.58 -0.27 0.00 0.48 0.00 0.00 55.95 54.61 1dgl s SER 190 Cb -0.13 0.34 0.13 0.00 0.10 0.00 0.00 66.02 66.46 1dgl s SER 190 CO -0.09 -0.84 1.05 0.72 0.98 0.00 0.00 173.24 175.06 1dgl s PHE 191 N -3.27 -0.41 0.17 5.02 -0.12 -0.51 -2.38 117.98 116.49 1dgl s PHE 191 Ca 0.28 0.90 0.03 0.00 -0.05 0.00 0.00 56.93 58.09 1dgl s PHE 191 Cb 0.04 0.40 -0.05 0.00 -0.63 0.00 0.00 43.02 42.79 1dgl s PHE 191 CO 0.15 -0.26 -0.04 -0.51 -0.05 0.00 0.00 175.22 174.51 1dgl s ASP 192 N -0.27 1.55 -0.07 1.98 1.11 0.05 -1.71 116.67 119.31 1dgl s ASP 192 Ca 0.02 -1.11 -0.29 0.00 0.18 0.00 0.00 52.55 51.34 1dgl s ASP 192 Cb -0.03 0.05 0.11 0.00 1.07 0.00 0.00 42.92 44.11 1dgl s ASP 192 CO -0.04 -0.47 0.88 0.00 1.18 0.00 0.00 175.17 176.73 1dgl s ALA 193 N -3.49 -1.85 -0.07 5.23 0.00 -0.72 -1.64 121.76 119.22 1dgl s ALA 193 Ca 0.21 1.30 -0.13 0.00 0.00 0.00 0.00 51.96 53.34 1dgl s ALA 193 Cb 0.05 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.06 1dgl s ALA 193 CO 0.03 -0.46 0.32 0.99 0.00 0.00 0.00 175.76 176.63 1dgl s THR 194 N -1.90 0.03 0.06 0.00 2.01 -0.87 -1.61 115.64 113.36 1dgl s THR 194 Ca -0.01 -0.25 -0.13 0.00 0.31 0.00 0.00 61.69 61.61 1dgl s THR 194 Cb -0.01 -0.54 0.02 0.00 0.01 0.00 0.00 72.50 71.98 1dgl s THR 194 CO -0.01 -0.14 0.29 0.72 -0.69 0.00 0.00 174.62 174.80 1dgl s PHE 195 N -0.59 -0.07 -0.03 4.92 -0.12 -0.88 -0.91 117.98 120.29 1dgl s PHE 195 Ca -0.07 -0.12 0.05 0.00 -0.05 0.00 0.00 56.93 56.73 1dgl s PHE 195 Cb -0.04 0.09 -0.01 0.00 -0.63 0.00 0.00 43.02 42.43 1dgl s PHE 195 CO 0.02 -0.53 -0.17 0.99 -0.05 0.00 0.00 175.22 175.48 1dgl s THR 196 N -2.87 1.40 0.06 -4.49 2.01 -0.84 -1.30 115.64 109.61 1dgl s THR 196 Ca -0.03 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 1dgl s THR 196 Cb 0.00 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 1dgl s THR 196 CO -0.05 0.40 -0.01 0.72 -0.69 0.00 0.00 174.62 174.98 1dgl s PHE 197 N -0.17 0.55 -0.06 4.92 -0.71 -0.56 -0.93 117.98 121.02 1dgl s PHE 197 Ca 0.01 -1.08 -0.01 0.00 -1.04 0.00 0.00 56.93 54.81 1dgl s PHE 197 Cb -0.09 -0.39 0.03 0.00 -1.21 0.00 0.00 43.02 41.35 1dgl s PHE 197 CO 0.01 -0.40 0.01 -1.17 -1.34 0.00 0.00 175.22 172.32 1dgl s LEU 198 N -2.93 0.63 -0.16 -1.99 2.96 -0.18 -1.09 118.68 115.91 1dgl s LEU 198 Ca 0.09 -0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1dgl s LEU 198 Cb 0.08 -0.37 -0.01 0.00 0.50 0.00 0.00 46.19 46.39 1dgl s LEU 198 CO -0.09 -0.18 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.02 1dgl s ILE 199 N 1.83 3.04 0.03 6.68 1.01 -1.26 -2.91 121.20 129.63 1dgl s ILE 199 Ca 0.02 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.08 1dgl s ILE 199 Cb -0.12 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 1dgl s ILE 199 CO -0.04 0.50 -0.13 -0.54 0.00 0.00 0.00 174.94 174.72 1dgl s LYS 200 N 0.78 0.93 -0.16 2.79 1.02 -1.25 -1.24 119.74 122.62 1dgl s LYS 200 Ca -0.04 -0.69 -0.26 0.00 0.02 0.00 0.00 55.97 55.00 1dgl s LYS 200 Cb -0.15 -0.92 0.06 0.00 -0.52 0.00 0.00 37.83 36.30 1dgl s LYS 200 CO 0.01 0.23 0.66 0.45 -0.92 0.00 0.00 175.35 175.78 1dgl s SER 201 N -0.96 -0.66 0.17 2.83 0.15 -1.26 0.25 113.70 114.22 1dgl s SER 201 Ca 0.02 1.03 0.22 0.00 0.70 0.00 0.00 55.95 57.92 1dgl s SER 201 Cb -0.07 0.98 -0.04 0.00 -1.71 0.00 0.00 66.02 65.18 1dgl s SER 201 CO 0.01 -0.40 0.98 -0.81 1.20 0.00 0.00 173.24 174.22 1dgl n PRO 202 N 1.91 0.61 -2.58 5.44 -0.04 -1.26 -4.94 135.00 134.14 1dgl n PRO 202 Ca -0.16 0.12 -0.37 0.00 -0.04 0.00 0.00 63.50 63.04 1dgl n PRO 202 Cb 0.56 -1.81 -0.05 0.00 -0.04 0.00 0.00 33.50 32.17 1dgl n PRO 202 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1dgl s ASP 203 N -5.36 6.98 0.54 3.54 1.01 -1.26 -4.92 116.67 117.19 1dgl s ASP 203 Ca -0.01 2.04 0.21 0.00 0.71 0.00 0.00 52.55 55.50 1dgl s ASP 203 Cb 0.10 -2.59 1.41 0.00 1.01 0.00 0.00 42.92 42.84 1dgl s ASP 203 CO 0.80 -0.33 2.14 0.08 0.21 0.00 0.00 175.17 178.07 1dgl h ARG 204 N 2.91 0.00 -3.30 8.23 0.11 -1.97 -3.33 114.38 117.03 1dgl h ARG 204 Ca -0.48 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.03 1dgl h ARG 204 Cb 1.21 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 31.89 1dgl h ARG 204 CO 0.64 0.00 -0.76 -1.21 0.10 0.00 0.00 179.97 178.73 1dgl s GLU 205 N -4.96 0.60 0.56 0.08 2.02 -1.26 -5.13 118.70 110.61 1dgl s GLU 205 Ca -0.05 -0.99 -0.19 0.00 0.02 0.00 0.00 54.97 53.76 1dgl s GLU 205 Cb 0.17 -1.77 -0.05 0.00 0.10 0.00 0.00 34.13 32.58 1dgl s GLU 205 CO 0.65 -1.01 1.12 -1.25 0.02 0.00 0.00 175.26 174.79 1dgl s PRO 206 N 1.66 3.29 0.04 0.39 0.04 -1.25 -4.64 135.00 134.53 1dgl s PRO 206 Ca 0.10 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.68 1dgl s PRO 206 Cb -0.17 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1dgl s PRO 206 CO -0.26 -0.89 0.04 0.00 0.04 0.00 0.00 177.00 175.93 1dgl s ALA 207 N -1.87 0.13 -0.04 8.56 0.00 -1.25 -3.87 121.76 123.43 1dgl s ALA 207 Ca 0.72 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.92 1dgl s ALA 207 Cb -0.23 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 1dgl s ALA 207 CO 0.29 -0.33 -0.01 -0.25 0.00 0.00 0.00 175.76 175.46 1dgl n ASP 208 N 0.61 4.00 0.00 0.00 8.00 -0.71 -3.03 116.55 125.42 1dgl n ASP 208 Ca -0.18 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1dgl n ASP 208 Cb 0.59 0.31 0.00 0.00 -0.02 0.00 0.00 41.12 42.00 1dgl n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dgl n GLY 209 N 3.01 0.83 3.31 0.44 0.00 -1.25 -0.87 105.19 110.66 1dgl n GLY 209 Ca -0.06 -1.55 -0.25 0.00 0.00 0.00 0.00 46.02 44.16 1dgl n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dgl s ILE 210 N -1.68 1.84 0.03 -0.61 1.01 -0.50 -3.03 121.20 118.26 1dgl s ILE 210 Ca 0.00 -1.59 -0.00 0.00 0.00 0.00 0.00 60.65 59.05 1dgl s ILE 210 Cb 0.00 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 1dgl s ILE 210 CO 0.00 -0.03 -0.03 0.42 0.00 0.00 0.00 174.94 175.30 1dgl s THR 211 N -1.14 0.19 -0.17 2.92 -4.23 0.41 0.39 115.64 114.00 1dgl s THR 211 Ca 0.08 -1.27 -0.02 0.00 -1.18 0.00 0.00 61.69 59.31 1dgl s THR 211 Cb -0.10 -0.76 -0.01 0.00 1.34 0.00 0.00 72.50 72.97 1dgl s THR 211 CO 0.05 -0.68 -0.09 0.12 -0.54 0.00 0.00 174.62 173.47 1dgl s PHE 212 N -2.39 2.89 0.23 3.99 5.36 -0.57 -1.17 117.98 126.32 1dgl s PHE 212 Ca -0.07 -0.82 0.05 0.00 -0.96 0.00 0.00 56.93 55.14 1dgl s PHE 212 Cb -0.03 -1.97 -0.05 0.00 -0.34 0.00 0.00 43.02 40.63 1dgl s PHE 212 CO -0.04 -0.38 -0.05 -0.59 -1.46 0.00 0.00 175.22 172.69 1dgl s PHE 213 N 0.90 1.66 -0.11 10.12 -0.71 0.05 -1.80 117.98 128.09 1dgl s PHE 213 Ca -0.02 -0.79 0.00 0.00 -1.04 0.00 0.00 56.93 55.08 1dgl s PHE 213 Cb -0.15 -0.92 0.02 0.00 -1.21 0.00 0.00 43.02 40.76 1dgl s PHE 213 CO 0.00 0.12 -0.11 0.42 -1.34 0.00 0.00 175.22 174.32 1dgl s ILE 214 N -3.23 1.21 0.01 -4.49 1.01 -0.12 -1.55 121.20 114.04 1dgl s ILE 214 Ca 0.26 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1dgl s ILE 214 Cb 0.04 -1.17 -0.00 0.00 0.01 0.00 0.00 42.46 41.34 1dgl s ILE 214 CO 0.08 0.39 0.01 0.00 0.00 0.00 0.00 174.94 175.42 1dgl n ALA 215 N 4.63 0.02 -1.96 9.38 0.00 -0.61 -2.29 120.51 129.69 1dgl n ALA 215 Ca -0.16 -0.06 -0.33 0.00 0.00 0.00 0.00 53.44 52.88 1dgl n ALA 215 Cb 0.50 0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 1dgl n ALA 215 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1dgl s ASN 216 N -1.08 6.92 0.39 0.00 4.22 -1.25 -2.34 114.94 121.80 1dgl s ASN 216 Ca 0.01 1.53 0.19 0.00 -2.14 0.00 0.00 52.86 52.44 1dgl s ASN 216 Cb 0.00 -2.47 1.13 0.00 1.28 0.00 0.00 41.25 41.19 1dgl s ASN 216 CO 0.01 -0.24 1.72 0.71 -2.04 0.00 0.00 177.10 177.25 1dgl h THR 217 N 2.06 0.42 -0.38 0.54 1.35 -1.85 0.16 112.91 115.21 1dgl h THR 217 Ca -0.48 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1dgl h THR 217 Cb 1.18 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1dgl h THR 217 CO 0.63 0.06 0.00 -0.90 -0.25 0.00 0.00 175.52 175.07 1dgl n ASP 218 N -4.73 3.44 -4.35 5.36 5.75 -1.26 -4.81 116.55 115.94 1dgl n ASP 218 Ca 0.29 -2.40 -0.34 0.00 -0.01 0.00 0.00 54.79 52.33 1dgl n ASP 218 Cb 0.98 -0.52 0.10 0.00 -1.03 0.00 0.00 41.12 40.64 1dgl n ASP 218 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1dgl n THR 219 N 0.50 0.35 -3.59 2.12 5.66 0.55 -5.03 114.28 114.84 1dgl n THR 219 Ca 0.16 -0.29 -0.09 0.00 -3.05 0.00 0.00 64.05 60.78 1dgl n THR 219 Cb 0.69 -0.53 -0.05 0.00 -1.55 0.00 0.00 70.33 68.89 1dgl n THR 219 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1dgl s SER 220 N -1.72 -0.35 -0.33 1.09 1.04 -1.26 -5.06 113.70 107.10 1dgl s SER 220 Ca 0.56 0.44 -0.37 0.00 0.48 0.00 0.00 55.95 57.05 1dgl s SER 220 Cb -0.24 0.37 -0.13 0.00 0.10 0.00 0.00 66.02 66.12 1dgl s SER 220 CO 0.68 -0.28 2.06 -0.38 0.98 0.00 0.00 173.24 176.30 1dgl n ILE 221 N 0.97 0.22 -2.51 -1.02 5.41 -1.26 -4.89 119.36 116.27 1dgl n ILE 221 Ca -0.10 -0.17 -0.35 0.00 1.00 0.00 0.00 62.75 63.13 1dgl n ILE 221 Cb 0.58 -1.44 -0.03 0.00 -0.71 0.00 0.00 39.64 38.03 1dgl n ILE 221 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1dgl s PRO 222 N 5.43 3.88 0.30 0.38 0.02 -1.26 -4.97 135.00 138.78 1dgl s PRO 222 Ca 1.07 1.44 -0.29 0.00 0.02 0.00 0.00 61.00 63.24 1dgl s PRO 222 Cb -0.97 -2.24 -0.11 0.00 0.02 0.00 0.00 34.50 31.21 1dgl s PRO 222 CO 0.55 -0.38 1.47 -1.54 -0.33 0.00 0.00 177.00 176.77 1dgl s SER 223 N -1.81 6.54 -0.80 2.53 1.04 -1.26 -2.58 113.70 117.36 1dgl s SER 223 Ca 0.65 2.82 0.00 0.00 0.48 0.00 0.00 55.95 59.89 1dgl s SER 223 Cb -0.19 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.29 1dgl s SER 223 CO 0.23 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.30 1dgl n GLY 224 N 1.65 0.50 1.30 7.32 0.00 -1.26 -4.63 105.19 110.06 1dgl n GLY 224 Ca 0.05 -0.60 0.10 0.00 0.00 0.00 0.00 46.02 45.58 1dgl n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dgl n SER 225 N 0.52 3.79 -3.29 1.61 3.41 -1.07 -4.72 113.62 113.89 1dgl n SER 225 Ca -0.09 -2.09 -0.27 0.00 -0.26 0.00 0.00 58.87 56.15 1dgl n SER 225 Cb 0.43 -0.47 0.25 0.00 -0.26 0.00 0.00 64.21 64.16 1dgl n SER 225 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dgl n GLY 226 N 1.46 -3.53 7.00 5.00 0.00 -1.26 -0.65 105.19 113.21 1dgl n GLY 226 Ca 0.23 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1dgl n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dgl n GLY 227 N -4.81 2.86 0.36 -0.02 0.00 -1.24 -2.00 105.19 100.35 1dgl n GLY 227 Ca 0.13 -0.04 0.17 0.00 0.00 0.00 0.00 46.02 46.29 1dgl n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1dgl h ARG 228 N 0.00 0.00 -0.02 1.61 0.11 -1.92 0.15 114.38 114.31 1dgl h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1dgl h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1dgl h ARG 228 CO 0.00 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.35 1dgl n LEU 229 N -3.28 0.54 -4.45 0.08 4.77 -0.84 -4.96 117.00 108.86 1dgl n LEU 229 Ca 0.03 -0.20 -0.39 0.00 -0.03 0.00 0.00 56.01 55.43 1dgl n LEU 229 Cb 0.54 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1dgl n LEU 229 CO 0.20 0.10 -0.25 0.18 -1.33 0.00 0.00 177.39 176.29 1dgl n LEU 230 N -0.53 -0.94 -0.14 2.23 4.77 0.54 -2.03 117.00 120.90 1dgl n LEU 230 Ca 0.20 -1.24 -0.02 0.00 -0.03 0.00 0.00 56.01 54.92 1dgl n LEU 230 Cb 0.18 -1.63 -0.01 0.00 -2.33 0.00 0.00 43.42 39.63 1dgl n LEU 230 CO 0.15 0.23 -0.02 0.61 -1.33 0.00 0.00 177.39 177.04 1dgl n GLY 231 N -1.56 0.17 0.08 -0.72 0.00 0.18 -4.54 105.19 98.80 1dgl n GLY 231 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1dgl n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dgl n LEU 232 N -0.21 2.71 -4.34 0.99 4.77 -0.86 -4.37 117.00 115.69 1dgl n LEU 232 Ca -0.02 -0.08 -0.29 0.00 -0.03 0.00 0.00 56.01 55.59 1dgl n LEU 232 Cb 0.49 -0.51 -0.14 0.00 -2.33 0.00 0.00 43.42 40.93 1dgl n LEU 232 CO 0.03 0.74 -0.56 -0.36 -1.33 0.00 0.00 177.39 175.91 1dgl s PHE 233 N -2.34 2.23 0.15 -1.77 0.08 -1.20 -4.74 117.98 110.39 1dgl s PHE 233 Ca -0.21 -0.40 0.22 0.00 0.12 0.00 0.00 56.93 56.65 1dgl s PHE 233 Cb 0.06 -1.30 0.81 0.00 -0.57 0.00 0.00 43.02 42.02 1dgl s PHE 233 CO 0.41 0.18 1.78 -1.00 -0.10 0.00 0.00 175.22 176.49 1dgl h PRO 234 N 4.52 0.00 -3.68 0.24 0.13 -1.87 -3.37 132.00 127.97 1dgl h PRO 234 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 1dgl h PRO 234 Cb 1.15 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.18 1dgl h PRO 234 CO 0.42 0.29 -0.16 0.16 -0.23 0.00 0.00 178.00 178.48 1dgl s ASP 235 N -6.31 -0.08 -0.22 1.44 1.47 -1.26 -4.60 116.67 107.12 1dgl s ASP 235 Ca 0.00 -0.86 0.01 0.00 1.18 0.00 0.00 52.55 52.88 1dgl s ASP 235 Cb 0.11 0.54 0.28 0.00 -0.34 0.00 0.00 42.92 43.51 1dgl s ASP 235 CO 0.66 -1.06 1.53 0.00 0.68 0.00 0.00 175.17 176.98 1dgl n ALA 236 N -0.33 4.10 1.62 2.11 0.00 -1.26 -4.75 120.51 122.00 1dgl n ALA 236 Ca -0.04 -1.33 0.13 0.00 0.00 0.00 0.00 53.44 52.20 1dgl n ALA 236 Cb 0.62 -1.23 0.77 0.00 0.00 0.00 0.00 19.45 19.61 1dgl n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59