#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hwt s ARG 3 N 0.00 4.02 0.05 0.00 6.06 -1.26 -5.08 118.95 122.74 2hwt s ARG 3 Ca 0.00 -0.06 -0.04 0.00 -2.50 0.00 0.00 55.73 53.12 2hwt s ARG 3 Cb 0.00 -3.63 -0.05 0.00 0.06 0.00 0.00 34.95 31.33 2hwt s ARG 3 CO 0.00 -0.20 0.27 -0.65 -2.50 0.00 0.00 175.30 172.23 2hwt s GLN 4 N 1.82 3.55 0.23 5.12 -0.21 -1.26 -5.11 119.66 123.80 2hwt s GLN 4 Ca 0.13 -0.18 0.07 0.00 0.02 0.00 0.00 55.36 55.39 2hwt s GLN 4 Cb -0.16 -3.02 -0.04 0.00 1.00 0.00 0.00 33.01 30.80 2hwt s GLN 4 CO 0.10 0.60 0.17 0.14 -2.12 0.00 0.00 175.29 174.17 2hwt s VAL 5 N -1.43 4.40 0.31 1.09 -7.23 -1.26 -5.12 120.40 111.16 2hwt s VAL 5 Ca 0.32 -1.34 -0.14 0.00 -1.81 0.00 0.00 61.98 59.01 2hwt s VAL 5 Cb -0.13 -3.34 -0.09 0.00 0.56 0.00 0.00 36.38 33.39 2hwt s VAL 5 CO 0.21 -0.28 0.70 -0.63 -0.31 0.00 0.00 175.10 174.79 2hwt s ILE 6 N -2.03 4.73 0.58 -0.62 1.09 -1.26 -5.06 121.20 118.63 2hwt s ILE 6 Ca 0.32 0.84 -0.15 0.00 -1.10 0.00 0.00 60.65 60.57 2hwt s ILE 6 Cb -0.08 -3.62 -0.05 0.00 -1.06 0.00 0.00 42.46 37.65 2hwt s ILE 6 CO 0.24 -0.18 1.03 0.00 -0.10 0.00 0.00 174.94 175.92 2hwt s TRP 8 N -2.69 3.16 -0.27 0.00 0.52 0.15 -4.78 118.94 115.02 2hwt s TRP 8 Ca 0.60 -0.82 -0.14 0.00 0.02 0.00 0.00 56.10 55.75 2hwt s TRP 8 Cb -0.13 -2.29 -0.04 0.00 -1.15 0.00 0.00 33.47 29.86 2hwt s TRP 8 CO 0.39 -0.53 0.34 0.00 0.02 0.00 0.00 176.95 177.17 2hwt s PHE 10 N 1.95 0.82 -0.08 0.00 -0.71 -1.22 -1.16 117.98 117.57 2hwt s PHE 10 Ca 0.14 -1.14 -0.01 0.00 -1.04 0.00 0.00 56.93 54.88 2hwt s PHE 10 Cb -0.16 -0.49 0.03 0.00 -1.21 0.00 0.00 43.02 41.19 2hwt s PHE 10 CO 0.10 -0.42 -0.03 0.99 -1.34 0.00 0.00 175.22 174.52 2hwt s THR 11 N -3.94 0.60 -0.20 -4.49 2.01 0.14 -3.77 115.64 106.01 2hwt s THR 11 Ca 0.19 -0.05 -0.05 0.00 0.31 0.00 0.00 61.69 62.09 2hwt s THR 11 Cb 0.07 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 2hwt s THR 11 CO -0.02 0.29 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.98 2hwt s LEU 12 N 1.68 3.27 -0.12 4.42 2.96 -0.07 -2.84 118.68 127.98 2hwt s LEU 12 Ca 0.02 -0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 53.70 2hwt s LEU 12 Cb -0.13 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 2hwt s LEU 12 CO -0.05 0.07 -0.01 0.54 -1.32 0.00 0.00 176.35 175.59 2hwt s ASN 13 N 0.95 5.09 -0.99 3.68 4.22 -1.26 0.13 114.94 126.76 2hwt s ASN 13 Ca 0.01 0.03 -0.12 0.00 -2.14 0.00 0.00 52.86 50.64 2hwt s ASN 13 Cb -0.14 -1.64 -0.01 0.00 1.28 0.00 0.00 41.25 40.74 2hwt s ASN 13 CO 0.02 0.27 0.74 -3.20 -2.04 0.00 0.00 177.10 172.89 2hwt n ASN 14 N 2.85 -5.79 -4.61 3.54 2.85 -1.05 -4.96 115.26 108.10 2hwt n ASN 14 Ca -0.18 -0.81 -0.29 0.00 -0.11 0.00 0.00 54.58 53.20 2hwt n ASN 14 Cb 0.53 -3.46 0.19 0.00 1.24 0.00 0.00 39.78 38.27 2hwt n ASN 14 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2hwt s PRO 15 N -5.12 0.19 0.00 1.20 0.04 -1.26 -5.00 135.00 125.06 2hwt s PRO 15 Ca 0.28 0.44 0.06 0.00 0.04 0.00 0.00 61.00 61.82 2hwt s PRO 15 Cb -0.10 -1.72 -0.00 0.00 0.04 0.00 0.00 34.50 32.73 2hwt s PRO 15 CO 0.84 -2.88 0.49 1.28 0.04 0.00 0.00 177.00 176.78 2hwt n LEU 16 N -4.26 0.96 -3.64 -3.56 4.32 -1.26 -5.06 117.00 104.50 2hwt n LEU 16 Ca 0.06 -0.77 -0.02 0.00 -0.02 0.00 0.00 56.01 55.26 2hwt n LEU 16 Cb 0.58 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.36 2hwt n LEU 16 CO 0.57 0.20 1.20 -0.44 -1.22 0.00 0.00 177.39 177.69 2hwt s SER 17 N -1.01 -0.00 0.61 -1.43 0.01 -1.26 -5.17 113.70 105.46 2hwt s SER 17 Ca 0.05 -0.00 -0.17 0.00 1.31 0.00 0.00 55.95 57.14 2hwt s SER 17 Cb 0.05 0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.26 2hwt s SER 17 CO 0.15 -0.01 1.12 -2.16 0.41 0.00 0.00 173.24 172.75 2hwt s PRO 18 N -2.02 3.01 0.95 12.44 0.04 -1.26 -5.03 135.00 143.14 2hwt s PRO 18 Ca 0.12 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.51 2hwt s PRO 18 Cb -0.00 -1.97 0.16 0.00 0.04 0.00 0.00 34.50 32.73 2hwt s PRO 18 CO -0.02 -1.09 1.10 -0.51 0.04 0.00 0.00 177.00 176.51 2hwt s LEU 19 N -4.46 1.87 0.08 -3.56 1.43 -1.26 -5.08 118.68 107.70 2hwt s LEU 19 Ca 0.69 1.22 -0.11 0.00 -1.03 0.00 0.00 54.13 54.90 2hwt s LEU 19 Cb -0.22 -3.50 0.01 0.00 0.03 0.00 0.00 46.19 42.51 2hwt s LEU 19 CO 0.36 -2.86 0.26 -0.44 0.23 0.00 0.00 176.35 173.90 2hwt s SER 20 N -3.57 -0.01 0.68 2.29 0.01 -1.26 -5.15 113.70 106.68 2hwt s SER 20 Ca 0.64 -0.46 -0.17 0.00 1.31 0.00 0.00 55.95 57.27 2hwt s SER 20 Cb -0.18 0.37 0.01 0.00 0.21 0.00 0.00 66.02 66.43 2hwt s SER 20 CO 0.57 -0.72 1.26 -0.22 0.41 0.00 0.00 173.24 174.54 2hwt s LEU 21 N -2.63 3.48 -0.09 2.44 2.96 -1.26 -5.02 118.68 118.55 2hwt s LEU 21 Ca 0.02 2.53 0.04 0.00 -0.22 0.00 0.00 54.13 56.50 2hwt s LEU 21 Cb 0.03 -4.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.10 2hwt s LEU 21 CO -0.09 -2.11 -0.23 -2.28 -1.32 0.00 0.00 176.35 170.32 2hwt s HIS 22 N -1.60 2.56 0.62 5.38 5.65 -1.26 -5.00 115.29 121.65 2hwt s HIS 22 Ca 0.80 -0.94 0.32 0.00 0.25 0.00 0.00 55.06 55.49 2hwt s HIS 22 Cb -0.35 -1.70 1.82 0.00 -1.18 0.00 0.00 32.58 31.18 2hwt s HIS 22 CO 0.41 -0.36 2.13 -0.44 -0.65 0.00 0.00 174.74 175.84 2hwt h ASP 23 N 6.57 0.00 0.17 9.88 3.32 -2.01 -1.45 116.42 132.90 2hwt h ASP 23 Ca -0.22 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.52 2hwt h ASP 23 Cb 1.22 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.79 2hwt h ASP 23 CO 0.48 0.00 -1.49 -1.28 -1.72 0.00 0.00 179.24 175.23 2hwt h SER 24 N 0.00 0.56 -2.70 6.45 0.87 -2.00 -3.47 113.55 113.25 2hwt h SER 24 Ca 0.05 -0.91 -0.23 0.00 -1.23 0.00 0.00 61.79 59.47 2hwt h SER 24 Cb 0.40 -0.18 0.11 0.00 -0.44 0.00 0.00 62.40 62.29 2hwt h SER 24 CO -0.00 1.68 0.12 1.15 -0.53 0.00 0.00 176.83 179.24 2hwt n MET 25 N -3.79 -1.83 0.00 2.24 0.00 -0.55 -2.16 117.12 111.03 2hwt n MET 25 Ca -0.22 -1.05 0.00 0.00 0.00 0.00 0.00 57.70 56.42 2hwt n MET 25 Cb 0.99 -0.90 0.00 0.00 0.00 0.00 0.00 33.22 33.31 2hwt n MET 25 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2hwt n LYS 26 N -3.20 0.30 -4.04 3.17 4.01 -0.84 -4.60 118.16 112.95 2hwt n LYS 26 Ca 0.09 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.77 2hwt n LYS 26 Cb 0.34 -0.90 -0.12 0.00 -0.51 0.00 0.00 35.03 33.84 2hwt n LYS 26 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 2hwt s TYR 27 N -1.80 0.50 -0.10 2.13 5.04 -1.23 -2.76 117.35 119.13 2hwt s TYR 27 Ca 0.00 -0.44 0.02 0.00 -2.44 0.00 0.00 57.07 54.20 2hwt s TYR 27 Cb 0.00 -0.31 0.01 0.00 0.35 0.00 0.00 41.96 42.01 2hwt s TYR 27 CO 0.00 -0.10 -0.14 -1.17 -1.34 0.00 0.00 175.55 172.80 2hwt s LEU 28 N -1.33 1.67 -0.04 6.97 2.96 -0.05 -3.30 118.68 125.57 2hwt s LEU 28 Ca -0.10 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 2hwt s LEU 28 Cb -0.09 -1.02 0.03 0.00 0.50 0.00 0.00 46.19 45.61 2hwt s LEU 28 CO -0.00 0.01 0.05 -0.69 -1.32 0.00 0.00 176.35 174.40 2hwt s VAL 29 N 0.96 -0.08 0.14 1.68 1.01 -1.11 -0.18 120.40 122.82 2hwt s VAL 29 Ca -0.08 0.38 -0.16 0.00 0.00 0.00 0.00 61.98 62.13 2hwt s VAL 29 Cb -0.15 -0.15 0.03 0.00 0.00 0.00 0.00 36.38 36.11 2hwt s VAL 29 CO -0.01 0.17 0.41 -0.72 0.00 0.00 0.00 175.10 174.95 2hwt s TYR 30 N 1.98 -0.14 0.06 5.22 -0.85 -1.06 -1.71 117.35 120.86 2hwt s TYR 30 Ca 0.03 -0.19 -0.10 0.00 -0.52 0.00 0.00 57.07 56.28 2hwt s TYR 30 Cb -0.12 0.25 0.01 0.00 0.38 0.00 0.00 41.96 42.47 2hwt s TYR 30 CO -0.03 -0.73 0.22 1.14 -1.52 0.00 0.00 175.55 174.63 2hwt s GLN 31 N -3.83 0.78 -0.06 -3.49 -2.07 0.90 -2.29 119.66 109.60 2hwt s GLN 31 Ca 0.05 -0.71 -0.15 0.00 -1.82 0.00 0.00 55.36 52.72 2hwt s GLN 31 Cb 0.02 0.32 -0.05 0.00 -1.09 0.00 0.00 33.01 32.21 2hwt s GLN 31 CO -0.10 -0.24 0.40 0.99 -1.32 0.00 0.00 175.29 175.02 2hwt s THR 32 N -3.03 5.13 0.21 3.63 2.01 -1.18 -1.14 115.64 121.27 2hwt s THR 32 Ca -0.02 0.80 0.07 0.00 0.31 0.00 0.00 61.69 62.85 2hwt s THR 32 Cb 0.01 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 2hwt s THR 32 CO -0.06 0.49 -0.12 -1.61 -0.69 0.00 0.00 174.62 172.62 2hwt s GLU 33 N -0.41 1.32 -0.08 4.92 2.02 -0.12 -0.06 118.70 126.30 2hwt s GLU 33 Ca 0.23 -1.60 -0.22 0.00 0.02 0.00 0.00 54.97 53.39 2hwt s GLU 33 Cb -0.16 -1.04 -0.04 0.00 0.10 0.00 0.00 34.13 33.00 2hwt s GLU 33 CO 0.11 0.14 0.65 -0.65 0.02 0.00 0.00 175.26 175.53 2hwt s GLN 34 N -3.68 4.41 0.00 1.61 -0.21 -0.61 -2.36 119.66 118.82 2hwt s GLN 34 Ca 0.23 0.78 0.00 0.00 0.02 0.00 0.00 55.36 56.39 2hwt s GLN 34 Cb 0.01 -3.45 0.00 0.00 1.00 0.00 0.00 33.01 30.56 2hwt s GLN 34 CO 0.07 0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.71 2hwt n GLY 35 N 3.17 4.32 3.65 3.09 0.00 -1.26 -4.89 105.19 113.28 2hwt n GLY 35 Ca -0.02 -0.50 -0.61 0.00 0.00 0.00 0.00 46.02 44.89 2hwt n GLY 35 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2hwt n GLU 36 N 0.00 0.45 -1.69 1.61 0.00 -1.26 -4.73 120.64 115.03 2hwt n GLU 36 Ca 0.00 0.16 -0.55 0.00 0.00 0.00 0.00 57.16 56.77 2hwt n GLU 36 Cb 0.00 -1.73 -0.07 0.00 0.00 0.00 0.00 31.44 29.64 2hwt n GLU 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2hwt n ALA 37 N 3.39 -0.21 0.00 -1.84 0.00 -1.26 -0.44 120.51 120.15 2hwt n ALA 37 Ca 0.25 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.09 2hwt n ALA 37 Cb 0.06 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.29 2hwt n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hwt n GLY 38 N 3.88 2.95 3.73 0.00 0.00 -1.26 -5.02 105.19 109.48 2hwt n GLY 38 Ca 0.24 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 2hwt n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hwt s ASN 39 N 0.43 4.12 0.21 1.61 0.01 0.42 -5.15 114.94 116.59 2hwt s ASN 39 Ca 0.00 -1.50 0.02 0.00 -0.71 0.00 0.00 52.86 50.67 2hwt s ASN 39 Cb 0.00 0.18 -0.05 0.00 0.41 0.00 0.00 41.25 41.79 2hwt s ASN 39 CO 0.00 -0.74 0.04 0.27 -1.51 0.00 0.00 177.10 175.16 2hwt s ILE 40 N -2.80 0.63 0.15 0.60 -4.36 -1.26 -3.99 121.20 110.16 2hwt s ILE 40 Ca 0.19 -1.99 0.08 0.00 -0.26 0.00 0.00 60.65 58.67 2hwt s ILE 40 Cb 0.04 -2.34 -0.04 0.00 1.25 0.00 0.00 42.46 41.37 2hwt s ILE 40 CO 0.10 -0.28 -0.18 -1.38 0.24 0.00 0.00 174.94 173.45 2hwt s HIS 41 N -3.70 1.75 -0.06 1.37 -3.43 -0.99 -2.54 115.29 107.69 2hwt s HIS 41 Ca 0.30 -0.47 -0.02 0.00 -0.80 0.00 0.00 55.06 54.06 2hwt s HIS 41 Cb 0.07 -0.89 -0.04 0.00 -1.43 0.00 0.00 32.58 30.29 2hwt s HIS 41 CO 0.08 0.29 0.05 -0.06 -2.00 0.00 0.00 174.74 173.10 2hwt s PHE 42 N -1.94 3.28 -0.04 0.38 0.40 0.12 -0.94 117.98 119.23 2hwt s PHE 42 Ca 0.13 0.26 -0.09 0.00 -0.60 0.00 0.00 56.93 56.64 2hwt s PHE 42 Cb -0.06 -1.80 0.02 0.00 0.51 0.00 0.00 43.02 41.69 2hwt s PHE 42 CO 0.06 0.55 0.21 -0.65 0.70 0.00 0.00 175.22 176.08 2hwt s GLN 43 N -1.19 0.40 0.00 0.44 -0.21 -0.29 -0.89 119.66 117.91 2hwt s GLN 43 Ca 0.17 -0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.54 2hwt s GLN 43 Cb -0.12 0.18 0.00 0.00 1.00 0.00 0.00 33.01 34.07 2hwt s GLN 43 CO 0.06 -0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.56 2hwt n GLY 44 N 2.18 -1.31 3.26 3.09 0.00 -1.25 -0.07 105.19 111.09 2hwt n GLY 44 Ca -0.17 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.50 2hwt n GLY 44 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2hwt s TYR 45 N -3.00 1.96 -0.06 1.61 1.13 -0.69 -3.42 117.35 114.87 2hwt s TYR 45 Ca 0.00 -0.38 0.01 0.00 -1.41 0.00 0.00 57.07 55.29 2hwt s TYR 45 Cb 0.00 -1.22 0.02 0.00 -1.10 0.00 0.00 41.96 39.66 2hwt s TYR 45 CO 0.00 0.03 -0.07 0.42 -2.51 0.00 0.00 175.55 173.42 2hwt s ILE 46 N -0.65 0.81 -0.29 -3.49 1.01 -0.55 -2.75 121.20 115.28 2hwt s ILE 46 Ca 0.09 -0.26 -0.10 0.00 0.00 0.00 0.00 60.65 60.38 2hwt s ILE 46 Cb -0.09 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 2hwt s ILE 46 CO 0.00 0.29 0.15 -1.61 0.00 0.00 0.00 174.94 173.78 2hwt s GLU 47 N 1.01 3.68 0.97 2.79 2.02 -1.21 -0.68 118.70 127.29 2hwt s GLU 47 Ca -0.09 -0.49 -0.16 0.00 0.02 0.00 0.00 54.97 54.25 2hwt s GLU 47 Cb -0.14 -3.56 0.22 0.00 0.10 0.00 0.00 34.13 30.74 2hwt s GLU 47 CO -0.00 -0.26 1.32 -1.33 0.02 0.00 0.00 175.26 175.01 2hwt n MET 48 N 5.01 -1.25 0.29 1.61 2.81 -1.26 -1.99 117.12 122.34 2hwt n MET 48 Ca -0.14 -2.09 -0.17 0.00 -1.81 0.00 0.00 57.70 53.48 2hwt n MET 48 Cb 0.51 -1.34 -0.09 0.00 -0.71 0.00 0.00 33.22 31.59 2hwt n MET 48 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2hwt h LYS 49 N 0.00 -0.93 0.00 0.03 3.64 -1.69 -3.39 116.57 114.23 2hwt h LYS 49 Ca -0.43 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2hwt h LYS 49 Cb 1.19 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 2hwt h LYS 49 CO 0.31 -0.62 0.00 1.63 -2.27 0.00 0.00 179.45 178.50 2hwt n LYS 50 N -5.28 0.00 -1.35 1.90 5.02 -1.26 -4.95 118.16 112.24 2hwt n LYS 50 Ca -0.12 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.94 2hwt n LYS 50 Cb 0.43 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.37 2hwt n LYS 50 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2hwt n ARG 51 N -1.21 2.27 -3.91 1.97 0.63 -1.26 -4.86 116.66 110.29 2hwt n ARG 51 Ca 0.00 -2.00 -0.35 0.00 -0.92 0.00 0.00 57.85 54.58 2hwt n ARG 51 Cb 0.00 -2.08 -0.14 0.00 0.45 0.00 0.00 32.46 30.69 2hwt n ARG 51 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2hwt s THR 52 N -1.53 3.16 1.01 5.15 2.01 -1.26 -5.11 115.64 119.08 2hwt s THR 52 Ca 0.59 -0.90 -0.17 0.00 0.31 0.00 0.00 61.69 61.52 2hwt s THR 52 Cb 0.36 -2.59 0.23 0.00 0.01 0.00 0.00 72.50 70.51 2hwt s THR 52 CO -0.16 0.20 1.33 -0.94 -0.69 0.00 0.00 174.62 174.36 2hwt s SER 53 N 1.38 2.65 0.53 3.53 1.04 -1.26 -4.84 113.70 116.73 2hwt s SER 53 Ca 0.01 0.19 0.29 0.00 0.48 0.00 0.00 55.95 56.92 2hwt s SER 53 Cb -0.16 -0.15 1.43 0.00 0.10 0.00 0.00 66.02 67.23 2hwt s SER 53 CO -0.03 -3.02 1.93 0.25 0.98 0.00 0.00 173.24 173.35 2hwt h LEU 54 N -1.84 0.02 -1.68 2.42 5.85 -2.00 0.12 115.31 118.20 2hwt h LEU 54 Ca -0.44 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.43 2hwt h LEU 54 Cb 1.22 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 2hwt h LEU 54 CO 0.32 0.01 0.48 0.00 -0.34 0.00 0.00 178.44 178.91 2hwt h ALA 55 N 1.62 2.21 -0.24 1.25 0.00 -1.98 0.15 119.26 122.27 2hwt h ALA 55 Ca 0.37 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.12 2hwt h ALA 55 Cb 1.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2hwt h ALA 55 CO -0.01 -0.40 -0.43 0.78 0.00 0.00 0.00 179.25 179.19 2hwt h GLY 56 N 0.32 0.78 0.48 0.00 0.00 -1.08 -2.40 103.07 101.18 2hwt h GLY 56 Ca 0.34 -0.90 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 2hwt h GLY 56 CO -0.09 0.81 -0.08 -0.33 0.00 0.00 0.00 176.54 176.85 2hwt h MET 57 N 0.43 0.10 -0.36 4.80 2.07 -1.32 -3.17 114.93 117.48 2hwt h MET 57 Ca 0.01 -0.07 0.08 0.00 -2.07 0.00 0.00 59.70 57.65 2hwt h MET 57 Cb 1.03 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.76 2hwt h MET 57 CO 0.10 0.69 0.25 1.57 1.07 0.00 0.00 176.91 180.59 2hwt h LYS 58 N -0.46 0.14 -0.47 1.72 2.10 -0.84 -0.51 116.57 118.25 2hwt h LYS 58 Ca -0.00 -0.01 0.09 0.00 -2.00 0.00 0.00 60.65 58.73 2hwt h LYS 58 Cb 0.69 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.97 2hwt h LYS 58 CO 0.02 0.09 0.32 0.87 -2.00 0.00 0.00 179.45 178.75 2hwt h LYS 59 N 0.15 0.24 0.20 0.07 1.57 -1.40 0.34 116.57 117.75 2hwt h LYS 59 Ca 0.17 -0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 58.61 2hwt h LYS 59 Cb 0.48 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.75 2hwt h LYS 59 CO -0.02 0.16 -1.47 -0.07 -0.57 0.00 0.00 179.45 177.48 2hwt h LEU 60 N 0.25 0.67 -6.28 2.94 4.07 -1.19 -3.41 115.31 112.36 2hwt h LEU 60 Ca 0.22 -0.77 -0.58 0.00 0.08 0.00 0.00 57.88 56.83 2hwt h LEU 60 Cb 0.53 -0.22 -0.39 0.00 1.08 0.00 0.00 40.66 41.67 2hwt h LEU 60 CO -0.04 1.61 -0.99 -0.38 -1.08 0.00 0.00 178.44 177.56 2hwt n ILE 61 N -3.63 -0.78 -2.08 1.22 -0.00 -0.65 -5.08 119.36 108.36 2hwt n ILE 61 Ca -0.16 -3.75 -0.42 0.00 -0.00 0.00 0.00 62.75 58.42 2hwt n ILE 61 Cb 1.08 -1.79 -0.03 0.00 -0.00 0.00 0.00 39.64 38.90 2hwt n ILE 61 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2hwt s PRO 62 N -0.50 3.28 0.00 0.38 0.04 0.11 -3.70 135.00 134.61 2hwt s PRO 62 Ca 0.33 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.57 2hwt s PRO 62 Cb 0.08 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2hwt s PRO 62 CO -0.16 -1.93 0.00 0.41 0.04 0.00 0.00 177.00 175.36 2hwt n GLY 63 N 5.39 0.94 3.27 0.56 0.00 -1.26 -5.11 105.19 108.98 2hwt n GLY 63 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 2hwt n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hwt s ALA 64 N -1.74 1.50 -0.40 4.61 0.00 -1.24 -4.90 121.76 119.58 2hwt s ALA 64 Ca 0.00 -1.76 -0.18 0.00 0.00 0.00 0.00 51.96 50.02 2hwt s ALA 64 Cb 0.00 0.99 0.01 0.00 0.00 0.00 0.00 23.12 24.12 2hwt s ALA 64 CO 0.00 -0.45 0.51 -1.58 0.00 0.00 0.00 175.76 174.23 2hwt s HIS 65 N -3.82 3.15 0.24 0.00 2.46 -1.13 -4.97 115.29 111.21 2hwt s HIS 65 Ca 0.34 -0.13 0.09 0.00 0.47 0.00 0.00 55.06 55.83 2hwt s HIS 65 Cb 0.07 -3.01 -0.04 0.00 -0.13 0.00 0.00 32.58 29.47 2hwt s HIS 65 CO 0.11 -0.69 -0.01 -0.06 -2.47 0.00 0.00 174.74 171.62 2hwt s PHE 66 N 2.38 2.74 -0.24 3.88 0.40 -1.26 -0.68 117.98 125.20 2hwt s PHE 66 Ca 0.16 -0.20 -0.03 0.00 -0.60 0.00 0.00 56.93 56.26 2hwt s PHE 66 Cb -0.16 -1.25 0.13 0.00 0.51 0.00 0.00 43.02 42.25 2hwt s PHE 66 CO 0.15 0.58 0.39 -1.21 0.70 0.00 0.00 175.22 175.83 2hwt s GLU 67 N -3.42 0.35 -0.20 0.44 2.02 -0.31 -4.97 118.70 112.61 2hwt s GLU 67 Ca 0.30 0.65 0.15 0.00 0.02 0.00 0.00 54.97 56.09 2hwt s GLU 67 Cb -0.07 -0.29 0.69 0.00 0.10 0.00 0.00 34.13 34.56 2hwt s GLU 67 CO 0.19 -0.57 1.60 1.17 0.02 0.00 0.00 175.26 177.68 2hwt n LYS 68 N 5.37 3.98 0.00 1.61 4.81 -1.26 -3.13 118.16 129.54 2hwt n LYS 68 Ca -0.04 -2.99 0.11 0.00 -0.87 0.00 0.00 58.31 54.52 2hwt n LYS 68 Cb 0.50 -2.04 0.64 0.00 0.02 0.00 0.00 35.03 34.14 2hwt n LYS 68 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2hwt n ARG 69 N 0.22 0.55 -3.10 1.64 1.74 -1.26 -4.87 116.66 111.57 2hwt n ARG 69 Ca 0.25 0.03 -0.14 0.00 -0.77 0.00 0.00 57.85 57.22 2hwt n ARG 69 Cb 1.03 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 31.03 2hwt n ARG 69 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2hwt n ARG 70 N -1.13 -4.90 0.00 5.56 3.00 -1.26 -4.89 116.66 113.04 2hwt n ARG 70 Ca 0.14 0.56 0.06 0.00 -0.01 0.00 0.00 57.85 58.60 2hwt n ARG 70 Cb 0.12 -4.74 0.27 0.00 0.00 0.00 0.00 32.46 28.11 2hwt n ARG 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hwt n GLY 71 N -1.32 -0.93 2.10 -0.13 0.00 -1.26 -3.38 105.19 100.27 2hwt n GLY 71 Ca -0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 2hwt n GLY 71 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hwt n THR 72 N -1.50 0.19 -1.54 2.61 -2.24 -1.26 -5.01 114.28 105.53 2hwt n THR 72 Ca 0.03 -1.00 -0.38 0.00 -2.27 0.00 0.00 64.05 60.43 2hwt n THR 72 Cb 0.15 0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 69.22 2hwt n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hwt n GLN 73 N -0.77 0.82 0.00 -0.78 10.64 -1.22 -0.10 117.38 125.97 2hwt n GLN 73 Ca -0.15 0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.04 2hwt n GLN 73 Cb 0.84 -2.96 0.00 0.00 -0.86 0.00 0.00 30.24 27.26 2hwt n GLN 73 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2hwt n GLY 74 N 6.14 2.33 0.11 2.61 0.00 -1.26 -4.85 105.19 110.26 2hwt n GLY 74 Ca 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.44 2hwt n GLY 74 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2hwt h GLU 75 N 2.48 0.00 0.00 1.61 4.57 -0.90 -3.11 114.58 119.22 2hwt h GLU 75 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2hwt h GLU 75 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2hwt h GLU 75 CO 0.00 0.73 0.00 0.00 -1.18 0.00 0.00 179.01 178.56 2hwt n ALA 76 N -2.31 1.61 0.37 2.92 0.00 -1.04 -1.82 120.51 120.24 2hwt n ALA 76 Ca 0.01 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2hwt n ALA 76 Cb 0.79 -1.26 0.49 0.00 0.00 0.00 0.00 19.45 19.47 2hwt n ALA 76 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2hwt h ARG 77 N 0.00 0.00 0.00 0.00 9.65 -1.84 -0.54 114.38 121.64 2hwt h ARG 77 Ca 0.00 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.79 2hwt h ARG 77 Cb 0.26 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 2hwt h ARG 77 CO 0.00 0.00 -1.30 0.00 2.80 0.00 0.00 179.97 181.47 2hwt n ALA 78 N -1.94 2.61 0.04 2.80 0.00 -0.90 -4.80 120.51 118.32 2hwt n ALA 78 Ca 0.03 -0.21 -0.16 0.00 0.00 0.00 0.00 53.44 53.09 2hwt n ALA 78 Cb 0.34 0.43 -0.14 0.00 0.00 0.00 0.00 19.45 20.08 2hwt n ALA 78 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2hwt h TYR 79 N -0.18 0.40 0.00 0.00 3.20 -1.50 -3.47 116.97 115.41 2hwt h TYR 79 Ca -0.14 -0.29 0.00 0.00 3.14 0.00 0.00 58.73 61.45 2hwt h TYR 79 Cb 1.12 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2hwt h TYR 79 CO -0.02 1.40 0.00 -1.13 -1.64 0.00 0.00 178.16 176.77 2hwt n SER 80 N -3.40 0.00 -4.72 -2.11 3.41 -0.21 -4.48 113.62 102.10 2hwt n SER 80 Ca -0.19 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.09 2hwt n SER 80 Cb 1.04 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.92 2hwt n SER 80 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2hwt s MET 81 N 0.00 2.22 -0.18 4.33 1.00 -1.26 -4.85 119.30 120.56 2hwt s MET 81 Ca 0.00 -2.44 -0.23 0.00 0.00 0.00 0.00 55.69 53.02 2hwt s MET 81 Cb 0.00 -1.43 -0.02 0.00 0.00 0.00 0.00 34.83 33.38 2hwt s MET 81 CO 0.00 -0.43 0.72 0.21 0.00 0.00 0.00 175.02 175.52 2hwt s LYS 82 N -3.89 4.26 0.34 2.03 2.36 -1.26 -4.95 119.74 118.65 2hwt s LYS 82 Ca 0.02 0.80 0.04 0.00 -2.55 0.00 0.00 55.97 54.28 2hwt s LYS 82 Cb 0.00 -3.56 0.63 0.00 -1.05 0.00 0.00 37.83 33.85 2hwt s LYS 82 CO 0.01 -0.25 1.90 0.93 1.55 0.00 0.00 175.35 179.49 2hwt h GLU 83 N 7.36 0.54 -0.67 4.03 5.08 -1.93 0.31 114.58 129.30 2hwt h GLU 83 Ca -0.31 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 57.98 2hwt h GLU 83 Cb 1.14 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 2hwt h GLU 83 CO 0.80 0.53 0.44 0.22 -1.00 0.00 0.00 179.01 180.01 2hwt h ASP 84 N 0.53 0.68 -0.36 1.42 1.82 -2.03 -1.88 116.42 116.60 2hwt h ASP 84 Ca 0.12 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 2hwt h ASP 84 Cb 0.27 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.13 2hwt h ASP 84 CO 0.00 0.46 0.00 0.35 -1.61 0.00 0.00 179.24 178.45 2hwt n THR 85 N -4.46 0.83 -2.37 2.25 -2.24 -0.89 -4.97 114.28 102.43 2hwt n THR 85 Ca 0.09 -0.91 -0.43 0.00 -2.27 0.00 0.00 64.05 60.52 2hwt n THR 85 Cb 0.15 0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 2hwt n THR 85 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2hwt s ARG 86 N -1.02 4.23 -0.09 -0.78 3.52 0.10 -1.58 118.95 123.34 2hwt s ARG 86 Ca 0.26 1.73 -0.12 0.00 -0.13 0.00 0.00 55.73 57.48 2hwt s ARG 86 Cb 0.14 -3.78 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 2hwt s ARG 86 CO 0.19 -0.71 -0.22 -0.11 -0.81 0.00 0.00 175.30 173.63 2hwt n LEU 87 N 6.61 1.55 -4.59 -0.88 0.00 -0.53 -4.83 117.00 114.32 2hwt n LEU 87 Ca 0.14 0.25 -0.27 0.00 0.00 0.00 0.00 56.01 56.13 2hwt n LEU 87 Cb 0.45 -0.60 -0.09 0.00 0.00 0.00 0.00 43.42 43.18 2hwt n LEU 87 CO 0.57 -0.42 -0.25 -0.70 0.00 0.00 0.00 177.39 176.58 2hwt s GLU 88 N -2.50 1.94 0.49 1.96 2.12 0.92 -4.99 118.70 118.65 2hwt s GLU 88 Ca -0.19 -2.17 0.00 0.00 0.36 0.00 0.00 54.97 52.98 2hwt s GLU 88 Cb 0.03 -1.13 0.00 0.00 0.26 0.00 0.00 34.13 33.28 2hwt s GLU 88 CO 0.28 -0.29 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 2hwt n GLY 89 N -0.97 -1.87 3.62 -1.50 0.00 -1.26 -3.10 105.19 100.11 2hwt n GLY 89 Ca -0.09 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 2hwt n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hwt s PRO 90 N 0.00 -0.73 -0.05 1.61 0.04 -1.26 -5.03 135.00 129.58 2hwt s PRO 90 Ca 0.00 0.11 -0.03 0.00 0.04 0.00 0.00 61.00 61.12 2hwt s PRO 90 Cb 0.00 -1.64 0.03 0.00 0.04 0.00 0.00 34.50 32.93 2hwt s PRO 90 CO 0.00 -3.42 0.13 -1.58 0.04 0.00 0.00 177.00 172.17 2hwt s TRP 91 N -2.99 -0.14 -0.05 0.56 0.51 -0.97 -5.00 118.94 110.86 2hwt s TRP 91 Ca 0.69 0.39 0.06 0.00 -2.12 0.00 0.00 56.10 55.12 2hwt s TRP 91 Cb -0.13 -0.04 -0.02 0.00 -0.81 0.00 0.00 33.47 32.48 2hwt s TRP 91 CO 0.57 -0.12 -0.22 -1.21 -0.51 0.00 0.00 176.95 175.46 2hwt s GLU 92 N 0.68 2.49 0.07 4.98 2.02 -1.26 -2.55 118.70 125.13 2hwt s GLU 92 Ca -0.05 -0.85 -0.03 0.00 0.02 0.00 0.00 54.97 54.06 2hwt s GLU 92 Cb -0.07 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.92 2hwt s GLU 92 CO -0.03 0.47 0.04 0.71 0.02 0.00 0.00 175.26 176.47 2hwt s TYR 93 N -0.37 0.46 0.00 1.61 2.02 0.75 -5.01 117.35 116.81 2hwt s TYR 93 Ca 0.03 -0.95 0.00 0.00 -0.37 0.00 0.00 57.07 55.77 2hwt s TYR 93 Cb -0.12 -0.31 0.00 0.00 -0.40 0.00 0.00 41.96 41.13 2hwt s TYR 93 CO 0.02 -0.45 0.00 0.41 -1.57 0.00 0.00 175.55 173.96 2hwt n GLY 94 N 0.03 -0.27 0.00 0.71 0.00 -1.26 -0.87 105.19 103.53 2hwt n GLY 94 Ca -0.13 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2hwt n GLY 94 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11