#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hwt n ARG 3 N 0.00 0.72 -4.30 0.00 0.00 -1.26 -5.15 116.66 106.67 2hwt n ARG 3 Ca 0.00 -1.59 -0.28 0.00 -0.00 0.00 0.00 57.85 55.98 2hwt n ARG 3 Cb 0.00 -1.11 -0.10 0.00 -0.00 0.00 0.00 32.46 31.25 2hwt n ARG 3 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2hwt s GLN 4 N 0.47 1.90 0.23 2.89 -0.21 -1.26 -5.14 119.66 118.53 2hwt s GLN 4 Ca 0.28 -1.22 0.06 0.00 0.02 0.00 0.00 55.36 54.50 2hwt s GLN 4 Cb 0.25 -2.13 -0.04 0.00 1.00 0.00 0.00 33.01 32.09 2hwt s GLN 4 CO -0.17 0.46 0.20 0.14 -2.12 0.00 0.00 175.29 173.79 2hwt s VAL 5 N -1.40 4.54 0.30 1.09 -7.23 -1.26 -5.11 120.40 111.32 2hwt s VAL 5 Ca 0.21 -1.28 -0.14 0.00 -1.81 0.00 0.00 61.98 58.96 2hwt s VAL 5 Cb -0.10 -3.42 -0.09 0.00 0.56 0.00 0.00 36.38 33.34 2hwt s VAL 5 CO 0.12 -0.28 0.70 -0.63 -0.31 0.00 0.00 175.10 174.70 2hwt s ILE 6 N -2.02 4.73 0.60 -0.62 1.09 -1.26 -5.06 121.20 118.66 2hwt s ILE 6 Ca 0.32 0.85 -0.13 0.00 -1.10 0.00 0.00 60.65 60.59 2hwt s ILE 6 Cb -0.09 -3.61 -0.04 0.00 -1.06 0.00 0.00 42.46 37.66 2hwt s ILE 6 CO 0.25 -0.16 1.03 0.00 -0.10 0.00 0.00 174.94 175.95 2hwt s TRP 8 N -2.92 3.15 -0.31 0.00 0.52 0.11 -4.73 118.94 114.76 2hwt s TRP 8 Ca 0.58 -0.85 -0.15 0.00 0.02 0.00 0.00 56.10 55.69 2hwt s TRP 8 Cb -0.12 -2.28 -0.02 0.00 -1.15 0.00 0.00 33.47 29.90 2hwt s TRP 8 CO 0.46 -0.54 0.37 0.00 0.02 0.00 0.00 176.95 177.27 2hwt s PHE 10 N 2.07 1.42 -0.05 0.00 -0.71 -1.19 -1.50 117.98 118.02 2hwt s PHE 10 Ca 0.14 -0.91 0.01 0.00 -1.04 0.00 0.00 56.93 55.13 2hwt s PHE 10 Cb -0.16 -0.80 0.02 0.00 -1.21 0.00 0.00 43.02 40.87 2hwt s PHE 10 CO 0.11 -0.05 -0.05 0.99 -1.34 0.00 0.00 175.22 174.88 2hwt s THR 11 N -3.45 0.59 -0.16 -4.49 2.01 0.89 -3.57 115.64 107.46 2hwt s THR 11 Ca 0.25 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.12 2hwt s THR 11 Cb 0.05 -0.61 0.02 0.00 0.01 0.00 0.00 72.50 71.97 2hwt s THR 11 CO 0.06 0.24 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.82 2hwt s LEU 12 N 0.97 1.99 -0.12 4.42 2.96 0.26 -1.62 118.68 127.53 2hwt s LEU 12 Ca -0.10 -0.59 -0.06 0.00 -0.22 0.00 0.00 54.13 53.16 2hwt s LEU 12 Cb -0.14 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 2hwt s LEU 12 CO -0.00 -0.00 0.09 0.54 -1.32 0.00 0.00 176.35 175.66 2hwt s ASN 13 N 1.26 5.95 -0.99 3.68 2.20 -1.26 0.17 114.94 125.95 2hwt s ASN 13 Ca 0.03 0.31 -0.12 0.00 -0.94 0.00 0.00 52.86 52.14 2hwt s ASN 13 Cb -0.13 -1.88 -0.01 0.00 -2.00 0.00 0.00 41.25 37.23 2hwt s ASN 13 CO -0.10 0.36 0.74 0.59 -2.94 0.00 0.00 177.10 175.75 2hwt n ASN 14 N 2.31 -5.85 -4.77 3.54 3.02 -1.17 -4.94 115.26 107.40 2hwt n ASN 14 Ca -0.19 -0.79 -0.32 0.00 -0.03 0.00 0.00 54.58 53.26 2hwt n ASN 14 Cb 0.54 -3.55 0.08 0.00 -0.61 0.00 0.00 39.78 36.24 2hwt n ASN 14 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2hwt s PRO 15 N -5.05 2.43 0.00 3.52 0.04 -1.26 -4.98 135.00 129.70 2hwt s PRO 15 Ca 0.28 1.24 0.18 0.00 0.04 0.00 0.00 61.00 62.75 2hwt s PRO 15 Cb -0.10 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 2hwt s PRO 15 CO 0.84 -1.52 0.90 1.28 0.04 0.00 0.00 177.00 178.54 2hwt n LEU 16 N -3.16 1.58 -3.64 -3.56 4.77 -1.26 -5.02 117.00 106.70 2hwt n LEU 16 Ca 0.09 -0.71 -0.02 0.00 -0.03 0.00 0.00 56.01 55.35 2hwt n LEU 16 Cb 0.53 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 2hwt n LEU 16 CO 0.52 0.31 1.20 -0.94 -1.33 0.00 0.00 177.39 177.15 2hwt s SER 17 N -2.24 -0.00 0.63 -1.43 1.04 -1.26 -5.17 113.70 105.27 2hwt s SER 17 Ca 0.13 -0.00 -0.16 0.00 0.48 0.00 0.00 55.95 56.40 2hwt s SER 17 Cb 0.15 0.00 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 2hwt s SER 17 CO 0.52 -0.00 1.11 -2.16 0.98 0.00 0.00 173.24 173.70 2hwt s PRO 18 N -2.00 2.95 0.88 4.02 0.04 -1.26 -5.04 135.00 134.58 2hwt s PRO 18 Ca 0.12 1.44 -0.13 0.00 0.04 0.00 0.00 61.00 62.48 2hwt s PRO 18 Cb -0.00 -1.97 0.12 0.00 0.04 0.00 0.00 34.50 32.69 2hwt s PRO 18 CO -0.02 -1.14 1.17 -0.51 0.04 0.00 0.00 177.00 176.54 2hwt s LEU 19 N -4.59 2.25 0.10 -3.56 1.43 -1.26 -5.10 118.68 107.96 2hwt s LEU 19 Ca 0.68 0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 54.49 2hwt s LEU 19 Cb -0.21 -3.17 0.01 0.00 0.03 0.00 0.00 46.19 42.85 2hwt s LEU 19 CO 0.38 -2.32 0.26 -0.44 0.23 0.00 0.00 176.35 174.45 2hwt s SER 20 N -4.34 0.01 0.68 2.29 0.01 -1.26 -5.15 113.70 105.93 2hwt s SER 20 Ca 0.64 -0.55 -0.17 0.00 1.31 0.00 0.00 55.95 57.18 2hwt s SER 20 Cb -0.12 0.38 0.01 0.00 0.21 0.00 0.00 66.02 66.50 2hwt s SER 20 CO 0.51 -0.77 1.27 -0.22 0.41 0.00 0.00 173.24 174.44 2hwt s LEU 21 N -2.85 3.48 -0.04 2.44 2.96 -1.26 -5.02 118.68 118.39 2hwt s LEU 21 Ca 0.05 2.54 0.05 0.00 -0.22 0.00 0.00 54.13 56.54 2hwt s LEU 21 Cb 0.04 -4.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.10 2hwt s LEU 21 CO -0.11 -2.12 -0.17 -2.28 -1.32 0.00 0.00 176.35 170.35 2hwt s HIS 22 N -1.59 2.61 0.46 5.38 5.65 -1.26 -5.00 115.29 121.53 2hwt s HIS 22 Ca 0.80 -0.25 0.32 0.00 0.25 0.00 0.00 55.06 56.18 2hwt s HIS 22 Cb -0.35 -1.60 1.70 0.00 -1.18 0.00 0.00 32.58 31.15 2hwt s HIS 22 CO 0.42 0.12 2.15 -0.44 -0.65 0.00 0.00 174.74 176.34 2hwt h ASP 23 N 5.42 0.00 0.18 9.88 5.19 -2.02 -2.65 116.42 132.42 2hwt h ASP 23 Ca -0.45 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 55.62 2hwt h ASP 23 Cb 1.15 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.67 2hwt h ASP 23 CO 0.49 0.06 -1.67 0.28 -3.12 0.00 0.00 179.24 175.29 2hwt h SER 24 N 0.00 0.61 -2.66 6.45 0.02 -1.99 -3.47 113.55 112.50 2hwt h SER 24 Ca -0.00 -0.93 -0.22 0.00 -0.84 0.00 0.00 61.79 59.80 2hwt h SER 24 Cb 0.23 -0.20 0.11 0.00 0.14 0.00 0.00 62.40 62.68 2hwt h SER 24 CO 0.01 1.76 0.11 1.15 -1.14 0.00 0.00 176.83 178.71 2hwt n MET 25 N -3.66 -1.80 0.00 3.45 0.00 -1.00 -2.00 117.12 112.11 2hwt n MET 25 Ca -0.24 -1.01 0.00 0.00 0.00 0.00 0.00 57.70 56.45 2hwt n MET 25 Cb 1.05 -0.87 0.00 0.00 0.00 0.00 0.00 33.22 33.40 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 -3.14 0.44 -4.41 3.17 5.02 -0.90 -4.58 118.16 113.77 2hwt n LYS 26 Ca 0.09 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.18 2hwt n LYS 26 Cb 0.32 -0.74 -0.14 0.00 -0.02 0.00 0.00 35.03 34.46 2hwt n LYS 26 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 2hwt s TYR 27 N -1.47 1.08 -0.11 2.13 5.04 -1.21 -1.84 117.35 120.97 2hwt s TYR 27 Ca 0.00 -0.28 0.01 0.00 -2.44 0.00 0.00 57.07 54.36 2hwt s TYR 27 Cb 0.00 -0.67 0.02 0.00 0.35 0.00 0.00 41.96 41.66 2hwt s TYR 27 CO 0.00 0.00 -0.13 -1.17 -1.34 0.00 0.00 175.55 172.91 2hwt s LEU 28 N -0.71 1.58 -0.06 6.97 2.96 -0.08 -2.99 118.68 126.34 2hwt s LEU 28 Ca 0.02 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.53 2hwt s LEU 28 Cb -0.06 -0.99 0.04 0.00 0.50 0.00 0.00 46.19 45.68 2hwt s LEU 28 CO 0.00 -0.02 0.11 -0.69 -1.32 0.00 0.00 176.35 174.44 2hwt s VAL 29 N 1.14 -0.17 -0.07 1.68 1.01 -1.12 -0.25 120.40 122.61 2hwt s VAL 29 Ca -0.04 0.36 -0.20 0.00 0.00 0.00 0.00 61.98 62.09 2hwt s VAL 29 Cb -0.14 -0.22 0.04 0.00 0.00 0.00 0.00 36.38 36.06 2hwt s VAL 29 CO -0.03 0.15 0.46 -0.72 0.00 0.00 0.00 175.10 174.96 2hwt s TYR 30 N 2.06 -0.41 0.11 5.22 -0.85 -1.14 -1.68 117.35 120.66 2hwt s TYR 30 Ca 0.02 0.79 0.03 0.00 -0.52 0.00 0.00 57.07 57.39 2hwt s TYR 30 Cb -0.12 0.21 -0.04 0.00 0.38 0.00 0.00 41.96 42.39 2hwt s TYR 30 CO -0.05 -0.42 -0.09 -0.65 -1.52 0.00 0.00 175.55 172.83 2hwt s GLN 31 N -0.86 0.90 0.12 -3.49 -0.21 0.38 -3.33 119.66 113.17 2hwt s GLN 31 Ca -0.09 -1.31 -0.11 0.00 0.02 0.00 0.00 55.36 53.87 2hwt s GLN 31 Cb -0.03 -0.42 -0.06 0.00 1.00 0.00 0.00 33.01 33.49 2hwt s GLN 31 CO 0.05 0.04 0.46 0.99 -2.12 0.00 0.00 175.29 174.71 2hwt s THR 32 N -3.16 5.02 0.13 -0.19 2.01 -1.14 -1.71 115.64 116.59 2hwt s THR 32 Ca 0.11 0.52 -0.03 0.00 0.31 0.00 0.00 61.69 62.60 2hwt s THR 32 Cb 0.02 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 2hwt s THR 32 CO -0.02 0.21 0.10 -1.61 -0.69 0.00 0.00 174.62 172.61 2hwt s GLU 33 N -2.11 0.94 -0.16 4.92 2.02 -0.79 0.10 118.70 123.62 2hwt s GLU 33 Ca 0.37 -1.34 -0.03 0.00 0.02 0.00 0.00 54.97 54.00 2hwt s GLU 33 Cb -0.14 0.27 -0.02 0.00 0.10 0.00 0.00 34.13 34.34 2hwt s GLU 33 CO 0.19 -0.28 -0.06 -1.14 0.02 0.00 0.00 175.26 173.99 2hwt s GLN 34 N -4.01 3.56 0.00 1.61 2.00 0.07 -2.30 119.66 120.60 2hwt s GLN 34 Ca 0.20 -0.58 0.00 0.00 -2.00 0.00 0.00 55.36 52.98 2hwt s GLN 34 Cb 0.06 -2.85 0.00 0.00 0.80 0.00 0.00 33.01 31.02 2hwt s GLN 34 CO -0.00 0.19 0.00 0.41 -0.50 0.00 0.00 175.29 175.38 2hwt n GLY 35 N 3.67 3.35 3.32 2.59 0.00 -1.26 -4.80 105.19 112.05 2hwt n GLY 35 Ca -0.18 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 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 0.13 -1.23 1.61 0.28 -1.26 -4.66 120.64 115.50 2hwt n GLU 36 Ca 0.00 0.07 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 2hwt n GLU 36 Cb 0.00 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.39 2hwt n GLU 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2hwt n ALA 37 N -2.30 -1.94 0.09 -1.84 0.00 -1.26 -4.53 120.51 108.74 2hwt n ALA 37 Ca 0.07 0.34 0.20 0.00 0.00 0.00 0.00 53.44 54.06 2hwt n ALA 37 Cb 0.51 -1.19 0.73 0.00 0.00 0.00 0.00 19.45 19.50 2hwt n ALA 37 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2hwt h GLY 38 N 1.43 0.00 0.00 0.00 0.00 -2.06 -3.41 103.07 99.03 2hwt h GLY 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hwt h GLY 38 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 2hwt n ASN 39 N -3.62 0.00 -4.66 0.19 3.02 -1.26 -5.03 115.26 103.90 2hwt n ASN 39 Ca 0.08 -0.87 -0.25 0.00 -0.03 0.00 0.00 54.58 53.51 2hwt n ASN 39 Cb 0.66 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.75 2hwt n ASN 39 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2hwt s ILE 40 N -0.79 2.59 0.22 2.41 -4.36 -1.26 -4.47 121.20 115.53 2hwt s ILE 40 Ca 0.00 -1.89 0.10 0.00 -0.26 0.00 0.00 60.65 58.60 2hwt s ILE 40 Cb 0.00 -2.87 -0.05 0.00 1.25 0.00 0.00 42.46 40.80 2hwt s ILE 40 CO 0.00 -0.15 -0.18 -1.38 0.24 0.00 0.00 174.94 173.46 2hwt s HIS 41 N -2.53 2.01 -0.13 1.37 -3.43 -0.97 -3.04 115.29 108.57 2hwt s HIS 41 Ca 0.36 -0.44 -0.04 0.00 -0.80 0.00 0.00 55.06 54.15 2hwt s HIS 41 Cb 0.01 -0.93 -0.03 0.00 -1.43 0.00 0.00 32.58 30.19 2hwt s HIS 41 CO 0.20 0.49 -0.00 -0.06 -2.00 0.00 0.00 174.74 173.37 2hwt s PHE 42 N -2.42 3.13 -0.04 0.38 0.40 0.13 -1.89 117.98 117.66 2hwt s PHE 42 Ca 0.23 -0.02 -0.08 0.00 -0.60 0.00 0.00 56.93 56.47 2hwt s PHE 42 Cb -0.04 -1.91 0.01 0.00 0.51 0.00 0.00 43.02 41.59 2hwt s PHE 42 CO 0.10 0.21 0.19 -0.65 0.70 0.00 0.00 175.22 175.77 2hwt s GLN 43 N -0.15 0.36 0.00 0.44 -0.21 -0.69 -0.57 119.66 118.83 2hwt s GLN 43 Ca 0.05 -0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.42 2hwt s GLN 43 Cb -0.13 0.16 0.00 0.00 1.00 0.00 0.00 33.01 34.05 2hwt s GLN 43 CO 0.02 -0.07 0.00 0.41 -2.12 0.00 0.00 175.29 173.53 2hwt n GLY 44 N 2.27 -1.00 3.20 3.09 0.00 -1.23 -0.47 105.19 111.05 2hwt n GLY 44 Ca -0.17 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 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 2.02 -0.08 1.61 -0.85 -0.68 -3.17 117.35 113.20 2hwt s TYR 45 Ca 0.00 -0.55 0.02 0.00 -0.52 0.00 0.00 57.07 56.01 2hwt s TYR 45 Cb 0.00 -1.33 0.02 0.00 0.38 0.00 0.00 41.96 41.02 2hwt s TYR 45 CO 0.00 -0.16 -0.12 0.42 -1.52 0.00 0.00 175.55 174.17 2hwt s ILE 46 N -0.14 1.19 -0.27 -3.49 1.01 -0.02 -2.81 121.20 116.67 2hwt s ILE 46 Ca -0.01 -0.48 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 2hwt s ILE 46 Cb -0.12 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 2hwt s ILE 46 CO 0.02 0.37 0.16 -1.61 0.00 0.00 0.00 174.94 173.88 2hwt s GLU 47 N 0.92 3.87 0.89 2.79 2.02 -1.16 0.07 118.70 128.10 2hwt s GLU 47 Ca -0.10 -0.36 -0.15 0.00 0.02 0.00 0.00 54.97 54.38 2hwt s GLU 47 Cb -0.15 -3.56 0.20 0.00 0.10 0.00 0.00 34.13 30.72 2hwt s GLU 47 CO 0.01 -0.18 1.21 -1.33 0.02 0.00 0.00 175.26 174.99 2hwt n MET 48 N 5.00 -1.15 0.10 1.61 2.81 -1.26 -2.11 117.12 122.12 2hwt n MET 48 Ca -0.15 -1.91 -0.15 0.00 -1.81 0.00 0.00 57.70 53.69 2hwt n MET 48 Cb 0.52 -1.23 -0.08 0.00 -0.71 0.00 0.00 33.22 31.72 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 -0.64 0.00 0.03 3.64 -1.65 -3.39 116.57 114.57 2hwt h LYS 49 Ca -0.39 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 2hwt h LYS 49 Cb 1.09 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2hwt h LYS 49 CO 0.28 -0.43 0.00 1.63 -2.27 0.00 0.00 179.45 178.66 2hwt n LYS 50 N -5.47 0.00 -1.22 1.90 5.02 -1.26 -4.94 118.16 112.19 2hwt n LYS 50 Ca -0.07 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.99 2hwt n LYS 50 Cb 0.39 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.39 2hwt n LYS 50 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2hwt n ARG 51 N 0.00 2.16 -3.67 1.97 1.85 -1.26 -4.89 116.66 112.82 2hwt n ARG 51 Ca 0.00 -2.08 -0.38 0.00 -1.00 0.00 0.00 57.85 54.39 2hwt n ARG 51 Cb 0.00 -1.92 -0.12 0.00 -1.05 0.00 0.00 32.46 29.37 2hwt n ARG 51 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2hwt s THR 52 N -2.49 4.55 1.10 8.89 2.01 -1.26 -5.09 115.64 123.35 2hwt s THR 52 Ca 0.47 -0.39 -0.19 0.00 0.31 0.00 0.00 61.69 61.90 2hwt s THR 52 Cb 0.33 -3.29 0.26 0.00 0.01 0.00 0.00 72.50 69.81 2hwt s THR 52 CO -0.11 0.11 1.26 -0.94 -0.69 0.00 0.00 174.62 174.24 2hwt s SER 53 N 1.61 1.84 0.54 3.53 1.04 -1.26 -4.82 113.70 116.18 2hwt s SER 53 Ca 0.05 0.29 0.29 0.00 0.48 0.00 0.00 55.95 57.06 2hwt s SER 53 Cb -0.17 -0.31 1.46 0.00 0.10 0.00 0.00 66.02 67.10 2hwt s SER 53 CO 0.06 -3.53 1.92 0.25 0.98 0.00 0.00 173.24 172.92 2hwt h LEU 54 N -2.19 0.00 -1.94 2.42 5.85 -2.00 0.14 115.31 117.59 2hwt h LEU 54 Ca -0.43 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.45 2hwt h LEU 54 Cb 1.24 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 2hwt h LEU 54 CO 0.30 0.00 0.42 0.00 -0.34 0.00 0.00 178.44 178.82 2hwt h ALA 55 N 1.60 2.48 -0.05 1.25 0.00 -1.97 0.42 119.26 122.99 2hwt h ALA 55 Ca 0.35 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2hwt h ALA 55 Cb 1.44 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2hwt h ALA 55 CO -0.00 -0.65 -0.10 0.78 0.00 0.00 0.00 179.25 179.28 2hwt h GLY 56 N 0.06 0.17 0.43 0.00 0.00 -1.02 -2.69 103.07 100.01 2hwt h GLY 56 Ca 0.28 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 2hwt h GLY 56 CO -0.02 0.18 -0.10 -0.33 0.00 0.00 0.00 176.54 176.28 2hwt h MET 57 N -0.35 0.10 -0.46 4.80 2.07 -1.44 -3.17 114.93 116.48 2hwt h MET 57 Ca 0.00 -0.08 0.13 0.00 -2.07 0.00 0.00 59.70 57.68 2hwt h MET 57 Cb 0.68 0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 30.41 2hwt h MET 57 CO 0.02 0.75 0.40 -0.22 1.07 0.00 0.00 176.91 178.94 2hwt h LYS 58 N -0.53 0.00 -0.20 1.72 3.64 -0.32 0.19 116.57 121.07 2hwt h LYS 58 Ca -0.01 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2hwt h LYS 58 Cb 0.77 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 2hwt h LYS 58 CO 0.02 0.00 -0.03 0.87 -2.27 0.00 0.00 179.45 178.04 2hwt h LYS 59 N 0.00 0.30 0.21 1.90 1.57 -1.44 0.32 116.57 119.42 2hwt h LYS 59 Ca 0.22 -0.05 -0.33 0.00 -1.87 0.00 0.00 60.65 58.62 2hwt h LYS 59 Cb 1.02 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 33.31 2hwt h LYS 59 CO -0.00 0.35 -1.51 -0.07 -0.57 0.00 0.00 179.45 177.65 2hwt h LEU 60 N 0.29 0.70 -6.09 2.94 4.07 -0.75 -3.41 115.31 113.06 2hwt h LEU 60 Ca 0.07 -0.82 -0.52 0.00 0.08 0.00 0.00 57.88 56.69 2hwt h LEU 60 Cb 0.26 -0.23 -0.35 0.00 1.08 0.00 0.00 40.66 41.42 2hwt h LEU 60 CO 0.01 1.65 -0.94 -0.38 -1.08 0.00 0.00 178.44 177.70 2hwt n ILE 61 N -3.64 -0.94 0.64 1.22 -0.00 -1.00 -4.96 119.36 110.68 2hwt n ILE 61 Ca -0.17 -3.23 0.07 0.00 -0.00 0.00 0.00 62.75 59.42 2hwt n ILE 61 Cb 1.08 -1.33 0.35 0.00 -0.00 0.00 0.00 39.64 39.74 2hwt n ILE 61 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 2hwt n PRO 62 N 2.49 0.15 -1.50 0.38 -0.04 0.11 -3.03 135.00 133.57 2hwt n PRO 62 Ca 0.26 0.18 -0.31 0.00 -0.04 0.00 0.00 63.50 63.58 2hwt n PRO 62 Cb 0.50 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.53 2hwt n PRO 62 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hwt n GLY 63 N -0.03 5.96 3.26 0.55 0.00 -1.26 -4.97 105.19 108.70 2hwt n GLY 63 Ca 0.06 -2.35 -0.09 0.00 0.00 0.00 0.00 46.02 43.64 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 -3.74 0.21 -0.26 4.61 0.00 -1.17 -4.77 121.76 116.64 2hwt s ALA 64 Ca 0.61 -1.01 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 2hwt s ALA 64 Cb 0.48 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 24.35 2hwt s ALA 64 CO 0.01 -0.58 0.43 -1.58 0.00 0.00 0.00 175.76 174.04 2hwt s HIS 65 N -3.97 3.26 0.24 0.00 2.46 -0.64 -4.93 115.29 111.71 2hwt s HIS 65 Ca 0.17 0.51 0.09 0.00 0.47 0.00 0.00 55.06 56.30 2hwt s HIS 65 Cb 0.05 -2.63 -0.04 0.00 -0.13 0.00 0.00 32.58 29.82 2hwt s HIS 65 CO -0.02 -0.24 0.03 -0.06 -2.47 0.00 0.00 174.74 171.99 2hwt s PHE 66 N 2.14 2.81 -0.24 3.88 0.40 -1.26 -0.08 117.98 125.64 2hwt s PHE 66 Ca 0.18 -0.18 -0.03 0.00 -0.60 0.00 0.00 56.93 56.29 2hwt s PHE 66 Cb -0.16 -1.27 0.13 0.00 0.51 0.00 0.00 43.02 42.23 2hwt s PHE 66 CO 0.09 0.58 0.37 -1.21 0.70 0.00 0.00 175.22 175.75 2hwt s GLU 67 N -3.54 0.33 -0.19 0.44 2.02 -0.56 -4.96 118.70 112.24 2hwt s GLU 67 Ca 0.31 0.54 0.14 0.00 0.02 0.00 0.00 54.97 55.98 2hwt s GLU 67 Cb -0.07 -0.49 0.75 0.00 0.10 0.00 0.00 34.13 34.42 2hwt s GLU 67 CO 0.21 -0.61 1.65 1.17 0.02 0.00 0.00 175.26 177.70 2hwt n LYS 68 N 5.36 4.39 0.00 1.61 4.81 -1.26 -3.27 118.16 129.81 2hwt n LYS 68 Ca -0.04 -2.91 0.10 0.00 -0.87 0.00 0.00 58.31 54.59 2hwt n LYS 68 Cb 0.50 -2.13 0.51 0.00 0.02 0.00 0.00 35.03 33.93 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 0.73 0.35 -3.04 1.64 1.74 -1.26 -4.87 116.66 111.95 2hwt n ARG 69 Ca 0.26 0.08 -0.13 0.00 -0.77 0.00 0.00 57.85 57.29 2hwt n ARG 69 Cb 1.07 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 31.06 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 -1.23 -4.44 0.00 5.56 1.74 -1.26 -4.90 116.66 112.13 2hwt n ARG 70 Ca 0.10 0.50 0.09 0.00 -0.77 0.00 0.00 57.85 57.78 2hwt n ARG 70 Cb 0.14 -4.51 0.47 0.00 -1.02 0.00 0.00 32.46 27.54 2hwt n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hwt n GLY 71 N -1.28 -0.93 0.34 -0.13 0.00 -1.26 -2.73 105.19 99.21 2hwt n GLY 71 Ca -0.06 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.30 0.68 -2.32 2.61 -2.24 -1.26 -5.00 114.28 105.45 2hwt n THR 72 Ca 0.09 -0.81 -0.43 0.00 -2.27 0.00 0.00 64.05 60.63 2hwt n THR 72 Cb 0.16 0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.60 2hwt n THR 72 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2hwt s GLN 73 N -1.03 3.84 0.00 -0.78 -0.44 -1.10 -1.94 119.66 118.21 2hwt s GLN 73 Ca 0.11 1.35 0.00 0.00 -2.50 0.00 0.00 55.36 54.32 2hwt s GLN 73 Cb 0.10 -3.94 0.00 0.00 -1.64 0.00 0.00 33.01 27.53 2hwt s GLN 73 CO 0.01 -1.22 0.00 0.41 0.50 0.00 0.00 175.29 174.99 2hwt n GLY 74 N 4.50 0.16 0.30 2.59 0.00 -1.26 -4.69 105.19 106.79 2hwt n GLY 74 Ca 0.16 -1.39 0.06 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 0.40 0.00 1.61 4.81 -2.02 -0.28 114.58 119.11 2hwt h GLU 75 Ca 0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2hwt h GLU 75 Cb 0.00 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 2hwt h GLU 75 CO 0.00 0.27 -0.03 0.00 -0.73 0.00 0.00 179.01 178.52 2hwt h ALA 76 N 1.79 1.11 0.00 2.92 0.00 -1.84 -1.62 119.26 121.63 2hwt h ALA 76 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2hwt h ALA 76 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2hwt h ALA 76 CO -0.03 0.04 0.00 -2.13 0.00 0.00 0.00 179.25 177.13 2hwt n ARG 77 N -3.28 0.18 -0.11 0.00 0.00 -0.11 -0.08 116.66 113.24 2hwt n ARG 77 Ca -0.02 0.54 -0.21 0.00 -0.00 0.00 0.00 57.85 58.16 2hwt n ARG 77 Cb 0.18 -1.94 -0.08 0.00 0.00 0.00 0.00 32.46 30.61 2hwt n ARG 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2hwt n ALA 78 N -1.79 0.96 -0.05 5.13 0.00 -0.61 -4.80 120.51 119.34 2hwt n ALA 78 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 53.44 52.59 2hwt n ALA 78 Cb 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.00 0.00 -0.76 0.00 3.20 -1.54 -3.50 116.97 113.36 2hwt h TYR 79 Ca -0.41 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.48 2hwt h TYR 79 Cb 1.31 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.57 2hwt h TYR 79 CO -0.12 0.00 -0.02 -1.13 -1.64 0.00 0.00 178.16 175.24 2hwt n SER 80 N -4.14 -2.24 -0.50 -2.11 3.41 0.88 -4.89 113.62 104.03 2hwt n SER 80 Ca -0.04 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2hwt n SER 80 Cb 0.14 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 2hwt n SER 80 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2hwt n MET 81 N -0.85 0.00 -3.94 4.33 2.81 -1.26 -4.68 117.12 113.53 2hwt n MET 81 Ca 0.00 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.59 2hwt n MET 81 Cb 0.03 0.00 -0.16 0.00 -0.71 0.00 0.00 33.22 32.38 2hwt n MET 81 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2hwt s LYS 82 N 0.00 1.64 0.34 0.03 -0.14 -1.26 -4.99 119.74 115.36 2hwt s LYS 82 Ca 0.00 -0.87 0.05 0.00 -1.36 0.00 0.00 55.97 53.79 2hwt s LYS 82 Cb 0.00 -2.46 0.62 0.00 -1.68 0.00 0.00 37.83 34.31 2hwt s LYS 82 CO 0.00 -0.54 1.88 0.93 -0.76 0.00 0.00 175.35 176.85 2hwt h GLU 83 N 7.99 0.48 -0.85 1.68 5.08 -1.95 0.85 114.58 127.87 2hwt h GLU 83 Ca -0.21 -0.11 0.14 0.00 -1.00 0.00 0.00 59.36 58.19 2hwt h GLU 83 Cb 1.08 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.20 2hwt h GLU 83 CO 0.42 0.53 0.55 0.22 -1.00 0.00 0.00 179.01 179.73 2hwt h ASP 84 N 0.46 0.57 -0.29 1.42 3.58 -2.00 -0.85 116.42 119.32 2hwt h ASP 84 Ca 0.10 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2hwt h ASP 84 Cb 0.34 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2hwt h ASP 84 CO 0.01 0.29 0.00 0.35 -2.88 0.00 0.00 179.24 177.02 2hwt n THR 85 N -4.53 0.88 -1.71 2.25 -2.24 -0.94 -5.00 114.28 102.99 2hwt n THR 85 Ca 0.16 -0.94 -0.42 0.00 -2.27 0.00 0.00 64.05 60.58 2hwt n THR 85 Cb 0.48 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.98 4.15 -0.08 -0.78 3.52 0.25 -0.75 118.95 124.28 2hwt s ARG 86 Ca 0.21 2.57 -0.11 0.00 -0.13 0.00 0.00 55.73 58.27 2hwt s ARG 86 Cb 0.11 -4.09 -0.04 0.00 -1.56 0.00 0.00 34.95 29.38 2hwt s ARG 86 CO 0.15 -0.93 -0.22 1.28 -0.81 0.00 0.00 175.30 174.76 2hwt n LEU 87 N 7.30 1.63 -4.74 -0.88 4.77 0.11 -4.84 117.00 120.36 2hwt n LEU 87 Ca 0.19 0.26 -0.30 0.00 -0.03 0.00 0.00 56.01 56.14 2hwt n LEU 87 Cb 0.41 -0.59 -0.08 0.00 -2.33 0.00 0.00 43.42 40.83 2hwt n LEU 87 CO 0.67 -0.44 -0.21 -0.70 -1.33 0.00 0.00 177.39 175.38 2hwt s GLU 88 N -2.57 2.15 0.43 3.23 2.56 -0.45 -4.97 118.70 119.08 2hwt s GLU 88 Ca -0.18 -2.20 0.00 0.00 0.00 0.00 0.00 54.97 52.59 2hwt s GLU 88 Cb 0.03 -1.70 0.00 0.00 2.00 0.00 0.00 34.13 34.46 2hwt s GLU 88 CO 0.27 -0.28 0.00 0.41 -0.56 0.00 0.00 175.26 175.10 2hwt n GLY 89 N -1.25 -1.83 3.68 -1.50 0.00 -1.26 -2.90 105.19 100.12 2hwt n GLY 89 Ca -0.11 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.82 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 0.59 -0.02 1.61 0.04 -1.26 -5.03 135.00 130.93 2hwt s PRO 90 Ca 0.00 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.62 2hwt s PRO 90 Cb 0.00 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 32.82 2hwt s PRO 90 CO 0.00 -2.64 0.03 -1.58 0.04 0.00 0.00 177.00 172.85 2hwt s TRP 91 N -2.96 0.03 -0.05 0.56 0.51 -1.21 -5.04 118.94 110.78 2hwt s TRP 91 Ca 0.65 0.12 0.05 0.00 -2.12 0.00 0.00 56.10 54.81 2hwt s TRP 91 Cb -0.18 -0.23 -0.02 0.00 -0.81 0.00 0.00 33.47 32.23 2hwt s TRP 91 CO 0.57 -0.09 -0.22 -1.21 -0.51 0.00 0.00 176.95 175.50 2hwt s GLU 92 N 1.04 2.49 0.06 4.98 2.02 -1.26 -2.89 118.70 125.13 2hwt s GLU 92 Ca -0.09 -0.84 -0.03 0.00 0.02 0.00 0.00 54.97 54.03 2hwt s GLU 92 Cb -0.12 -2.22 -0.03 0.00 0.10 0.00 0.00 34.13 31.85 2hwt s GLU 92 CO -0.03 0.47 0.02 0.71 0.02 0.00 0.00 175.26 176.45 2hwt s TYR 93 N -0.38 0.43 0.00 1.61 2.02 0.65 -5.02 117.35 116.66 2hwt s TYR 93 Ca 0.03 -0.93 0.00 0.00 -0.37 0.00 0.00 57.07 55.80 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 -0.41 0.00 0.41 -1.57 0.00 0.00 175.55 174.00 2hwt n GLY 94 N 0.15 -0.06 0.00 0.71 0.00 -1.26 -0.90 105.19 103.82 2hwt n GLY 94 Ca -0.15 -1.26 0.13 0.00 0.00 0.00 0.00 46.02 44.75 2hwt n GLY 94 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11