#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2arw n GLY 2 N 0.00 -0.61 3.58 3.03 0.00 -1.26 -5.07 105.19 104.86 2arw n GLY 2 Ca 0.00 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 2arw n GLY 2 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2arw s ILE 3 N -3.55 3.76 -1.23 -0.61 2.07 -1.26 -4.47 121.20 115.91 2arw s ILE 3 Ca 0.00 -1.27 0.11 0.00 -1.41 0.00 0.00 60.65 58.08 2arw s ILE 3 Cb 0.00 -4.80 0.15 0.00 0.13 0.00 0.00 42.46 37.94 2arw s ILE 3 CO 0.00 -1.39 1.31 0.00 -1.91 0.00 0.00 174.94 172.95 2arw n LEU 4 N 12.08 0.00 0.00 8.50 -0.00 -1.26 -4.92 117.00 131.39 2arw n LEU 4 Ca 0.46 0.38 0.00 0.00 -0.00 0.00 0.00 56.01 56.85 2arw n LEU 4 Cb 0.46 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 2arw n LEU 4 CO 0.71 -0.24 0.00 0.00 -0.00 0.00 0.00 177.39 177.86 2arw n GLN 5 N -1.38 0.00 -1.91 1.47 6.02 -1.26 -4.86 117.38 115.45 2arw n GLN 5 Ca 0.04 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.67 2arw n GLN 5 Cb 0.11 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.41 2arw n GLN 5 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2arw s PRO 6 N 0.00 2.83 0.49 -1.09 0.04 -1.26 -5.00 135.00 131.01 2arw s PRO 6 Ca 0.00 1.84 -0.19 0.00 0.04 0.00 0.00 61.00 62.69 2arw s PRO 6 Cb 0.00 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 2arw s PRO 6 CO 0.00 -1.32 1.00 -0.51 0.04 0.00 0.00 177.00 176.21 2arw s ASP 7 N -1.63 6.50 0.56 6.66 -0.00 -1.26 -4.73 116.67 122.76 2arw s ASP 7 Ca 0.78 1.76 -0.21 0.00 -0.00 0.00 0.00 52.55 54.87 2arw s ASP 7 Cb -0.31 -2.54 -0.04 0.00 -0.00 0.00 0.00 42.92 40.03 2arw s ASP 7 CO 0.35 -0.67 1.34 -2.16 -0.00 0.00 0.00 175.17 174.03 2arw s PRO 8 N -3.54 3.06 0.72 8.23 0.04 -1.26 -4.60 135.00 137.66 2arw s PRO 8 Ca 0.63 2.19 -0.16 0.00 0.04 0.00 0.00 61.00 63.71 2arw s PRO 8 Cb -0.13 -2.19 0.03 0.00 0.04 0.00 0.00 34.50 32.25 2arw s PRO 8 CO 0.23 -1.24 1.26 -0.35 0.04 0.00 0.00 177.00 176.94 2arw n PRO 9 N -1.16 0.70 -3.85 0.56 -0.04 -1.26 -4.03 135.00 125.93 2arw n PRO 9 Ca 0.11 0.31 -0.22 0.00 -0.04 0.00 0.00 63.50 63.66 2arw n PRO 9 Cb 0.46 -2.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.37 2arw n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2arw s ALA 10 N -1.71 3.79 -1.38 0.55 0.00 1.00 -4.68 121.76 119.33 2arw s ALA 10 Ca 0.79 -1.80 -0.08 0.00 0.00 0.00 0.00 51.96 50.87 2arw s ALA 10 Cb -0.34 -0.95 0.05 0.00 0.00 0.00 0.00 23.12 21.88 2arw s ALA 10 CO 0.45 -0.06 0.55 -1.71 0.00 0.00 0.00 175.76 174.98 2arw n ASN 11 N -1.35 -4.55 -4.56 0.00 2.85 -1.26 -0.79 115.26 105.61 2arw n ASN 11 Ca -0.01 -0.36 -0.25 0.00 -0.11 0.00 0.00 54.58 53.85 2arw n ASN 11 Cb 0.61 -3.72 -0.05 0.00 1.24 0.00 0.00 39.78 37.86 2arw n ASN 11 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2arw s ILE 12 N -3.02 3.04 0.03 -1.44 -0.00 -1.26 -3.86 121.20 114.69 2arw s ILE 12 Ca 0.38 -0.01 0.09 0.00 -0.00 0.00 0.00 60.65 61.11 2arw s ILE 12 Cb -0.19 -3.10 -0.03 0.00 -0.00 0.00 0.00 42.46 39.15 2arw s ILE 12 CO 0.46 -0.09 -0.26 -0.89 -0.00 0.00 0.00 174.94 174.16 2arw s THR 13 N 13.23 2.16 -0.00 8.37 2.01 0.49 -4.63 115.64 137.27 2arw s THR 13 Ca 0.93 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 61.60 2arw s THR 13 Cb -0.14 -1.83 -0.00 0.00 0.01 0.00 0.00 72.50 70.54 2arw s THR 13 CO 0.16 0.40 -0.01 0.54 -0.69 0.00 0.00 174.62 175.03 2arw s VAL 14 N -0.78 0.04 0.18 3.82 0.11 -1.25 -0.50 120.40 122.02 2arw s VAL 14 Ca 0.12 -0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.15 2arw s VAL 14 Cb -0.10 -0.05 -0.05 0.00 -1.53 0.00 0.00 36.38 34.66 2arw s VAL 14 CO 0.02 0.01 0.03 0.28 -3.33 0.00 0.00 175.10 172.10 2arw s THR 15 N -0.03 0.54 0.63 5.04 -1.32 -1.04 -4.62 115.64 114.84 2arw s THR 15 Ca 0.00 -1.97 0.36 0.00 -1.21 0.00 0.00 61.69 58.87 2arw s THR 15 Cb -0.00 -2.20 0.39 0.00 -1.51 0.00 0.00 72.50 69.18 2arw s THR 15 CO -0.00 -0.39 2.28 0.00 -2.21 0.00 0.00 174.62 174.30 2arw h ALA 16 N 2.67 1.33 -3.85 11.08 0.00 -1.92 -1.71 119.26 126.87 2arw h ALA 16 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2arw h ALA 16 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2arw h ALA 16 CO 0.61 -0.04 -0.94 0.28 0.00 0.00 0.00 179.25 179.17 2arw n VAL 17 N -3.49 -4.18 -2.16 0.00 0.31 -1.26 -4.66 118.33 102.88 2arw n VAL 17 Ca -0.03 1.98 -0.39 0.00 -0.01 0.00 0.00 64.34 65.89 2arw n VAL 17 Cb 0.11 -2.91 -0.03 0.00 -0.91 0.00 0.00 33.84 30.10 2arw n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2arw s ALA 18 N -4.40 2.38 0.00 3.52 0.00 -1.26 -4.11 121.76 117.89 2arw s ALA 18 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2arw s ALA 18 Cb 0.00 -4.26 0.00 0.00 0.00 0.00 0.00 23.12 18.86 2arw s ALA 18 CO 0.00 -3.62 0.00 -2.13 0.00 0.00 0.00 175.76 170.01 2arw n ARG 19 N 9.12 0.00 -1.32 0.00 0.00 -1.26 -4.96 116.66 118.24 2arw n ARG 19 Ca 0.17 0.00 -0.49 0.00 -0.00 0.00 0.00 57.85 57.53 2arw n ARG 19 Cb 0.51 -0.61 -0.05 0.00 0.00 0.00 0.00 32.46 32.31 2arw n ARG 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2arw n ASN 20 N 0.45 -0.59 -4.56 6.15 4.13 -1.26 -4.84 115.26 114.73 2arw n ASN 20 Ca 0.00 1.04 -0.40 0.00 1.68 0.00 0.00 54.58 56.90 2arw n ASN 20 Cb 0.00 -0.85 -0.03 0.00 -1.54 0.00 0.00 39.78 37.36 2arw n ASN 20 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2arw s PRO 21 N -0.47 2.92 -1.28 3.52 0.04 -1.26 -4.03 135.00 134.44 2arw s PRO 21 Ca 0.70 0.67 -0.24 0.00 0.04 0.00 0.00 61.00 62.17 2arw s PRO 21 Cb -1.00 -4.29 0.03 0.00 0.04 0.00 0.00 34.50 29.28 2arw s PRO 21 CO 0.51 -2.39 0.56 2.89 0.04 0.00 0.00 177.00 178.62 2arw n ARG 22 N 8.96 -0.74 -5.28 4.56 0.00 -1.26 -4.87 116.66 118.03 2arw n ARG 22 Ca 0.18 0.16 -0.31 0.00 -0.00 0.00 0.00 57.85 57.88 2arw n ARG 22 Cb 0.50 -3.10 -0.16 0.00 -0.00 0.00 0.00 32.46 29.70 2arw n ARG 22 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2arw s TRP 23 N -3.70 2.38 -0.27 2.89 0.52 -1.26 -2.04 118.94 117.45 2arw s TRP 23 Ca 0.37 -0.50 -0.02 0.00 0.02 0.00 0.00 56.10 55.96 2arw s TRP 23 Cb -0.19 -1.53 0.03 0.00 -1.15 0.00 0.00 33.47 30.63 2arw s TRP 23 CO 0.95 -0.08 -0.02 -0.51 0.02 0.00 0.00 176.95 177.31 2arw s LEU 24 N -0.50 3.47 -0.90 2.99 1.02 -1.26 -4.30 118.68 119.20 2arw s LEU 24 Ca 0.07 -0.95 -0.22 0.00 0.02 0.00 0.00 54.13 53.05 2arw s LEU 24 Cb -0.11 -1.71 -0.13 0.00 0.02 0.00 0.00 46.19 44.26 2arw s LEU 24 CO 0.00 -0.17 1.94 -1.20 0.02 0.00 0.00 176.35 176.94 2arw n SER 25 N 4.69 2.76 -4.55 2.29 7.64 -0.65 -3.86 113.62 121.94 2arw n SER 25 Ca -0.15 -2.70 -0.38 0.00 1.01 0.00 0.00 58.87 56.65 2arw n SER 25 Cb 0.46 -1.28 -0.03 0.00 -1.01 0.00 0.00 64.21 62.35 2arw n SER 25 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2arw s VAL 26 N 6.16 3.48 -0.21 0.44 -7.23 -1.21 -2.49 120.40 119.34 2arw s VAL 26 Ca 0.59 0.19 0.01 0.00 -1.81 0.00 0.00 61.98 60.96 2arw s VAL 26 Cb 0.11 -4.25 0.05 0.00 0.56 0.00 0.00 36.38 32.85 2arw s VAL 26 CO 0.11 -1.21 -0.09 0.42 -0.31 0.00 0.00 175.10 174.03 2arw s THR 27 N 8.10 1.61 0.26 5.32 -4.23 0.34 -2.44 115.64 124.61 2arw s THR 27 Ca 0.58 -1.08 0.06 0.00 -1.18 0.00 0.00 61.69 60.07 2arw s THR 27 Cb -0.11 -1.74 -0.06 0.00 1.34 0.00 0.00 72.50 71.94 2arw s THR 27 CO 0.17 0.08 -0.04 -1.66 -0.54 0.00 0.00 174.62 172.63 2arw s TRP 28 N 1.39 1.83 -0.27 3.99 -2.14 0.35 -0.38 118.94 123.72 2arw s TRP 28 Ca -0.03 -0.76 0.01 0.00 2.66 0.00 0.00 56.10 57.98 2arw s TRP 28 Cb -0.17 -1.05 0.05 0.00 -3.10 0.00 0.00 33.47 29.21 2arw s TRP 28 CO -0.07 0.19 -0.08 -0.65 -2.66 0.00 0.00 176.95 173.67 2arw s GLN 29 N -3.77 2.36 0.27 3.25 -1.52 0.03 -4.54 119.66 115.75 2arw s GLN 29 Ca 0.29 -1.28 -0.08 0.00 -1.95 0.00 0.00 55.36 52.34 2arw s GLN 29 Cb 0.04 -2.96 -0.07 0.00 -0.22 0.00 0.00 33.01 29.80 2arw s GLN 29 CO 0.11 -0.56 -0.12 -0.40 -0.25 0.00 0.00 175.29 174.07 2arw n ASP 30 N 4.51 -1.85 -4.57 5.90 5.75 -1.26 -0.00 116.55 125.03 2arw n ASP 30 Ca -0.14 0.25 -0.44 0.00 -0.01 0.00 0.00 54.79 54.45 2arw n ASP 30 Cb 0.43 -0.37 -0.04 0.00 -1.03 0.00 0.00 41.12 40.11 2arw n ASP 30 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2arw n PRO 31 N 0.76 1.69 -0.34 0.11 -0.04 -1.26 -4.15 135.00 131.78 2arw n PRO 31 Ca 0.03 0.43 0.09 0.00 -0.04 0.00 0.00 63.50 64.01 2arw n PRO 31 Cb 0.22 -3.12 0.26 0.00 -0.04 0.00 0.00 33.50 30.83 2arw n PRO 31 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2arw h HIS 32 N 15.11 1.01 -1.05 0.54 2.76 -1.88 -0.94 115.15 130.71 2arw h HIS 32 Ca -0.36 0.03 0.27 0.00 -2.20 0.00 0.00 60.37 58.11 2arw h HIS 32 Cb 1.26 -0.31 -0.11 0.00 1.55 0.00 0.00 27.41 29.80 2arw h HIS 32 CO 0.95 0.30 0.66 1.03 -1.30 0.00 0.00 177.93 179.56 2arw h SER 33 N 0.81 0.50 -3.11 3.26 0.87 -1.95 -3.40 113.55 110.53 2arw h SER 33 Ca 0.52 0.11 -0.59 0.00 -1.23 0.00 0.00 61.79 60.59 2arw h SER 33 Cb 0.68 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.63 2arw h SER 33 CO -0.33 0.06 -0.28 0.86 -0.53 0.00 0.00 176.83 176.61 2arw s TRP 34 N -5.56 3.54 -0.21 2.24 -0.11 -0.36 -5.02 118.94 113.46 2arw s TRP 34 Ca -0.09 0.69 -0.21 0.00 1.22 0.00 0.00 56.10 57.70 2arw s TRP 34 Cb 0.26 -2.09 -0.19 0.00 -1.50 0.00 0.00 33.47 29.95 2arw s TRP 34 CO 0.80 0.50 0.21 -2.95 -4.62 0.00 0.00 176.95 170.88 2arw h ASN 35 N 3.45 0.00 0.00 5.86 7.08 -1.79 -3.44 115.58 126.74 2arw h ASN 35 Ca -0.48 -0.50 0.00 0.00 -3.08 0.00 0.00 56.30 52.24 2arw h ASN 35 Cb 1.18 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.42 2arw h ASN 35 CO 0.68 1.49 0.00 -0.24 -2.08 0.00 0.00 177.43 177.28 2arw n SER 36 N -4.43 0.00 -1.27 6.14 2.88 -1.26 -4.80 113.62 110.88 2arw n SER 36 Ca -0.32 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 2arw n SER 36 Cb 0.68 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 2arw n SER 36 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2arw n SER 37 N 0.00 1.94 0.07 -3.46 2.88 -1.26 -2.37 113.62 111.43 2arw n SER 37 Ca 0.00 -1.26 0.00 0.00 -1.33 0.00 0.00 58.87 56.28 2arw n SER 37 Cb 0.00 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 2arw n SER 37 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2arw n PHE 38 N 1.10 -2.65 -3.60 0.66 3.72 -1.26 -5.01 117.46 110.42 2arw n PHE 38 Ca 0.00 0.49 -0.38 0.00 -0.05 0.00 0.00 57.45 57.52 2arw n PHE 38 Cb 0.25 1.47 -0.06 0.00 -0.94 0.00 0.00 39.48 40.20 2arw n PHE 38 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2arw s TYR 39 N -2.00 3.87 -1.16 1.38 2.02 -1.06 -4.99 117.35 115.41 2arw s TYR 39 Ca 0.00 -2.90 -0.21 0.00 -0.37 0.00 0.00 57.07 53.59 2arw s TYR 39 Cb 0.00 -3.33 -0.05 0.00 -0.40 0.00 0.00 41.96 38.17 2arw s TYR 39 CO 0.00 -0.79 1.90 -2.13 -1.57 0.00 0.00 175.55 172.97 2arw n ARG 40 N 2.60 2.05 -2.11 -0.62 3.00 -1.00 -4.32 116.66 116.26 2arw n ARG 40 Ca 0.19 -2.57 -0.35 0.00 -0.00 0.00 0.00 57.85 55.12 2arw n ARG 40 Cb 0.38 -3.51 0.02 0.00 0.00 0.00 0.00 32.46 29.35 2arw n ARG 40 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 2arw s LEU 41 N 7.17 3.69 -0.40 6.15 0.05 -1.26 -4.08 118.68 130.00 2arw s LEU 41 Ca 0.62 2.28 -0.14 0.00 0.05 0.00 0.00 54.13 56.93 2arw s LEU 41 Cb 0.04 -4.59 0.02 0.00 -2.05 0.00 0.00 46.19 39.61 2arw s LEU 41 CO 0.11 -1.43 0.28 -0.13 -0.55 0.00 0.00 176.35 174.63 2arw s ARG 42 N -3.34 2.98 0.25 1.48 0.52 -1.26 -4.82 118.95 114.75 2arw s ARG 42 Ca 0.75 -1.01 -0.21 0.00 -0.52 0.00 0.00 55.73 54.74 2arw s ARG 42 Cb -0.27 -3.93 -0.09 0.00 0.52 0.00 0.00 34.95 31.18 2arw s ARG 42 CO 0.31 -0.72 0.78 -0.06 0.02 0.00 0.00 175.30 175.62 2arw s PHE 43 N 1.66 3.64 0.11 -0.53 0.40 -1.25 -2.59 117.98 119.43 2arw s PHE 43 Ca 0.05 1.47 -0.01 0.00 -0.60 0.00 0.00 56.93 57.84 2arw s PHE 43 Cb -0.19 -2.69 0.02 0.00 0.51 0.00 0.00 43.02 40.68 2arw s PHE 43 CO 0.10 0.29 0.15 0.39 0.70 0.00 0.00 175.22 176.85 2arw n GLU 44 N 0.63 0.32 -2.67 0.44 -0.58 -1.11 -2.56 120.64 115.11 2arw n GLU 44 Ca -0.01 -0.34 -0.03 0.00 -0.42 0.00 0.00 57.16 56.36 2arw n GLU 44 Cb 0.51 -0.12 0.13 0.00 -0.57 0.00 0.00 31.44 31.39 2arw n GLU 44 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2arw n LEU 45 N 0.00 -1.54 -4.55 -4.62 4.77 0.58 -4.18 117.00 107.47 2arw n LEU 45 Ca 0.02 -3.26 -0.39 0.00 -0.03 0.00 0.00 56.01 52.36 2arw n LEU 45 Cb 0.08 0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 2arw n LEU 45 CO 0.05 1.75 1.48 -0.60 -1.33 0.00 0.00 177.39 178.74 2arw s ARG 46 N 0.14 2.79 0.34 3.23 3.52 -0.27 -4.49 118.95 124.21 2arw s ARG 46 Ca 0.11 0.34 0.07 0.00 -0.13 0.00 0.00 55.73 56.12 2arw s ARG 46 Cb 0.44 -4.35 -0.07 0.00 -1.56 0.00 0.00 34.95 29.41 2arw s ARG 46 CO -0.12 -2.58 -0.03 1.52 -0.81 0.00 0.00 175.30 173.27 2arw s TYR 47 N 8.15 2.21 -0.30 5.12 -0.85 -0.94 -0.69 117.35 130.04 2arw s TYR 47 Ca 0.58 -0.69 -0.17 0.00 -0.52 0.00 0.00 57.07 56.27 2arw s TYR 47 Cb -0.11 -1.38 0.18 0.00 0.38 0.00 0.00 41.96 41.04 2arw s TYR 47 CO 0.18 0.35 1.17 0.50 -1.52 0.00 0.00 175.55 176.23 2arw s ARG 48 N -3.73 0.14 0.55 -3.49 3.52 -1.26 -0.23 118.95 114.45 2arw s ARG 48 Ca 0.33 0.33 -0.19 0.00 -0.13 0.00 0.00 55.73 56.06 2arw s ARG 48 Cb 0.06 0.18 -0.08 0.00 -1.56 0.00 0.00 34.95 33.54 2arw s ARG 48 CO 0.15 -0.04 0.67 0.00 -0.81 0.00 0.00 175.30 175.27 2arw n ALA 49 N 4.50 -0.75 -0.34 6.12 0.00 -1.26 -4.38 120.51 124.40 2arw n ALA 49 Ca -0.09 0.03 0.20 0.00 0.00 0.00 0.00 53.44 53.57 2arw n ALA 49 Cb 0.55 -1.91 0.38 0.00 0.00 0.00 0.00 19.45 18.46 2arw n ALA 49 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2arw h GLU 50 N 0.47 0.01 0.20 0.00 4.22 -1.75 0.12 114.58 117.85 2arw h GLU 50 Ca -0.46 -0.00 -0.32 0.00 0.08 0.00 0.00 59.36 58.66 2arw h GLU 50 Cb 1.39 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.66 2arw h GLU 50 CO 0.49 0.00 -1.50 0.00 -2.18 0.00 0.00 179.01 175.82 2arw h ARG 51 N 0.01 0.43 -6.16 1.92 2.47 -1.89 -3.49 114.38 107.67 2arw h ARG 51 Ca 0.67 -0.73 -0.73 0.00 -1.26 0.00 0.00 59.98 57.93 2arw h ARG 51 Cb 1.52 0.27 0.05 0.00 -1.65 0.00 0.00 29.97 30.16 2arw h ARG 51 CO -0.89 1.35 0.38 0.45 0.56 0.00 0.00 179.97 181.82 2arw n SER 52 N -3.75 1.15 -0.01 7.04 2.88 0.41 -4.84 113.62 116.50 2arw n SER 52 Ca -0.20 1.13 0.15 0.00 -1.33 0.00 0.00 58.87 58.62 2arw n SER 52 Cb 1.04 -1.08 0.83 0.00 -0.75 0.00 0.00 64.21 64.24 2arw n SER 52 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2arw n LYS 53 N 2.53 0.68 -4.06 -1.46 4.81 -1.26 -4.69 118.16 114.70 2arw n LYS 53 Ca 0.20 -0.02 -0.11 0.00 -0.87 0.00 0.00 58.31 57.51 2arw n LYS 53 Cb 0.14 -1.50 -0.11 0.00 0.02 0.00 0.00 35.03 33.58 2arw n LYS 53 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2arw s THR 54 N -2.34 0.43 -0.19 3.15 -1.32 -1.26 -5.15 115.64 108.96 2arw s THR 54 Ca 0.36 -1.24 -0.09 0.00 -1.21 0.00 0.00 61.69 59.51 2arw s THR 54 Cb 0.21 -0.77 -0.05 0.00 -1.51 0.00 0.00 72.50 70.38 2arw s THR 54 CO 0.42 -0.55 0.12 0.72 -2.21 0.00 0.00 174.62 173.13 2arw s PHE 55 N -1.99 3.40 -0.82 9.09 -0.12 -1.26 -4.72 117.98 121.57 2arw s PHE 55 Ca -0.07 0.31 -0.01 0.00 -0.05 0.00 0.00 56.93 57.12 2arw s PHE 55 Cb -0.06 -2.12 0.20 0.00 -0.63 0.00 0.00 43.02 40.41 2arw s PHE 55 CO -0.02 0.32 0.68 -0.08 -0.05 0.00 0.00 175.22 176.07 2arw s THR 56 N 0.19 4.01 -0.34 -4.49 -1.32 0.67 -5.01 115.64 109.36 2arw s THR 56 Ca 0.08 -3.78 -0.29 0.00 -1.21 0.00 0.00 61.69 56.49 2arw s THR 56 Cb -0.11 -3.53 0.00 0.00 -1.51 0.00 0.00 72.50 67.36 2arw s THR 56 CO -0.01 -1.04 1.35 -0.89 -2.21 0.00 0.00 174.62 171.82 2arw s THR 57 N -1.15 4.04 0.01 5.08 2.01 -1.26 -2.23 115.64 122.14 2arw s THR 57 Ca 0.25 1.14 0.02 0.00 0.31 0.00 0.00 61.69 63.40 2arw s THR 57 Cb -0.09 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 2arw s THR 57 CO -0.11 -0.58 -0.06 0.26 -0.69 0.00 0.00 174.62 173.44 2arw s TRP 58 N 4.78 0.50 -1.14 4.92 0.52 -1.26 -5.01 118.94 122.24 2arw s TRP 58 Ca 0.58 -0.21 -0.10 0.00 0.02 0.00 0.00 56.10 56.39 2arw s TRP 58 Cb -0.16 -0.31 0.25 0.00 -1.15 0.00 0.00 33.47 32.10 2arw s TRP 58 CO 0.27 -0.03 1.23 0.00 0.02 0.00 0.00 176.95 178.43 2arw n MET 59 N 2.50 3.55 0.00 4.98 0.00 -1.26 -0.30 117.12 126.59 2arw n MET 59 Ca -0.16 -4.30 0.00 0.00 0.00 0.00 0.00 57.70 53.24 2arw n MET 59 Cb 0.57 -2.68 0.00 0.00 0.00 0.00 0.00 33.22 31.12 2arw n MET 59 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 175.97 177.52 2arw n VAL 60 N 3.09 0.00 -0.99 3.17 3.14 -1.06 -1.76 118.33 123.93 2arw n VAL 60 Ca 0.28 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.66 2arw n VAL 60 Cb 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.18 2arw n VAL 60 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 2arw n LYS 61 N 0.00 0.00 0.00 1.45 0.00 -1.26 -1.75 118.16 116.60 2arw n LYS 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2arw n LYS 61 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2arw n LYS 61 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2arw n ASP 62 N 0.60 0.00 0.00 3.14 2.03 -0.72 -4.05 116.55 117.55 2arw n ASP 62 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2arw n ASP 62 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2arw n ASP 62 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2arw n LEU 63 N 0.00 0.00 -3.81 -2.67 -0.00 -0.72 -3.94 117.00 105.86 2arw n LEU 63 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 2arw n LEU 63 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 2arw n LEU 63 CO 0.00 0.00 -0.28 -1.58 -0.00 0.00 0.00 177.39 175.53 2arw s GLN 64 N 0.00 0.07 0.00 1.47 2.00 -0.74 -4.98 119.66 117.48 2arw s GLN 64 Ca 0.00 0.18 0.00 0.00 -2.00 0.00 0.00 55.36 53.54 2arw s GLN 64 Cb 0.00 -0.06 0.00 0.00 0.80 0.00 0.00 33.01 33.75 2arw s GLN 64 CO 0.00 -0.07 0.40 0.72 -0.50 0.00 0.00 175.29 175.84 2arw n HIS 65 N 3.50 0.00 0.00 1.67 8.25 -1.26 -4.51 115.22 122.87 2arw n HIS 65 Ca -0.18 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2arw n HIS 65 Cb 0.56 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.59 2arw n HIS 65 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2arw n HIS 66 N 0.13 0.00 -2.96 4.41 -0.00 -1.26 -0.50 115.22 115.04 2arw n HIS 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2arw n HIS 66 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.19 2arw n HIS 66 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2arw s VAL 68 N -1.04 -0.03 0.53 0.00 -7.23 -1.26 -3.33 120.40 108.04 2arw s VAL 68 Ca 0.00 0.10 0.27 0.00 -1.81 0.00 0.00 61.98 60.55 2arw s VAL 68 Cb 0.00 -0.49 0.40 0.00 0.56 0.00 0.00 36.38 36.85 2arw s VAL 68 CO 0.00 0.04 1.19 0.00 -0.31 0.00 0.00 175.10 176.02 2arw n ILE 69 N 4.04 0.00 0.00 -0.62 0.00 -1.25 -4.84 119.36 116.69 2arw n ILE 69 Ca -0.23 1.15 0.00 0.00 0.00 0.00 0.00 62.75 63.67 2arw n ILE 69 Cb 0.55 -2.03 0.00 0.00 0.00 0.00 0.00 39.64 38.15 2arw n ILE 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2arw n HIS 70 N -3.14 0.00 -3.40 9.51 1.44 -1.26 -4.55 115.22 113.82 2arw n HIS 70 Ca 0.24 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.69 2arw n HIS 70 Cb 1.44 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 31.46 2arw n HIS 70 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2arw n ASP 71 N 0.00 0.67 -1.80 4.39 2.03 -1.26 -4.90 116.55 115.67 2arw n ASP 71 Ca 0.00 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 52.60 2arw n ASP 71 Cb 0.00 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 2arw n ASP 71 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2arw n ALA 72 N 2.04 0.00 -2.66 -1.67 0.00 -0.87 -5.06 120.51 112.29 2arw n ALA 72 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.35 2arw n ALA 72 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 2arw n ALA 72 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2arw s TRP 73 N 0.48 3.10 0.00 0.00 0.51 -1.26 -4.93 118.94 116.84 2arw s TRP 73 Ca 0.00 0.14 0.00 0.00 -2.12 0.00 0.00 56.10 54.12 2arw s TRP 73 Cb 0.00 -1.77 0.00 0.00 -0.81 0.00 0.00 33.47 30.89 2arw s TRP 73 CO 0.00 0.42 0.00 0.43 -0.51 0.00 0.00 176.95 177.29 2arw n SER 74 N 2.18 0.00 -2.08 2.95 7.64 -1.26 -2.69 113.62 120.35 2arw n SER 74 Ca -0.18 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.52 2arw n SER 74 Cb 0.53 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.70 2arw n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2arw n GLY 75 N 0.00 3.83 3.40 0.23 0.00 -1.26 -4.46 105.19 106.93 2arw n GLY 75 Ca 0.00 -1.28 -0.44 0.00 0.00 0.00 0.00 46.02 44.29 2arw n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2arw s LEU 76 N -1.44 5.33 0.16 0.99 2.01 -0.83 -4.95 118.68 119.95 2arw s LEU 76 Ca 0.44 -1.24 -0.30 0.00 0.01 0.00 0.00 54.13 53.03 2arw s LEU 76 Cb 0.28 -2.33 -0.08 0.00 0.01 0.00 0.00 46.19 44.07 2arw s LEU 76 CO -0.08 -0.93 1.31 0.00 1.01 0.00 0.00 176.35 177.65 2arw s ARG 77 N 2.40 4.39 0.00 1.70 1.04 -0.94 -4.46 118.95 123.08 2arw s ARG 77 Ca 0.11 2.01 0.00 0.00 -1.04 0.00 0.00 55.73 56.81 2arw s ARG 77 Cb -0.23 -3.23 0.00 0.00 -2.04 0.00 0.00 34.95 29.46 2arw s ARG 77 CO 0.08 -0.28 0.00 -2.39 -0.04 0.00 0.00 175.30 172.67 2arw n HIS 78 N 3.06 -0.06 -4.38 5.89 1.44 -1.14 -2.88 115.22 117.15 2arw n HIS 78 Ca 0.07 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.45 2arw n HIS 78 Cb 0.43 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.42 2arw n HIS 78 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2arw s VAL 79 N -1.81 3.84 -0.15 0.61 0.11 -1.26 -3.08 120.40 118.67 2arw s VAL 79 Ca 0.00 -0.37 -0.06 0.00 -2.93 0.00 0.00 61.98 58.62 2arw s VAL 79 Cb 0.00 -2.69 -0.04 0.00 -1.53 0.00 0.00 36.38 32.13 2arw s VAL 79 CO 0.00 0.49 0.05 0.54 -3.33 0.00 0.00 175.10 172.84 2arw s VAL 80 N 0.44 4.68 -0.31 2.04 0.11 -0.98 -4.01 120.40 122.37 2arw s VAL 80 Ca -0.04 -0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 58.90 2arw s VAL 80 Cb -0.14 -3.06 0.05 0.00 -1.53 0.00 0.00 36.38 31.70 2arw s VAL 80 CO 0.03 0.52 0.02 -1.10 -3.33 0.00 0.00 175.10 171.24 2arw s GLN 81 N -0.15 2.46 -0.78 1.54 -1.52 0.13 -3.55 119.66 117.79 2arw s GLN 81 Ca 0.07 -1.25 -0.10 0.00 -1.95 0.00 0.00 55.36 52.12 2arw s GLN 81 Cb -0.12 -3.22 0.20 0.00 -0.22 0.00 0.00 33.01 29.65 2arw s GLN 81 CO 0.01 -0.63 0.68 -0.51 -0.25 0.00 0.00 175.29 174.60 2arw s LEU 82 N 1.27 6.26 0.49 2.90 2.01 -1.26 -1.11 118.68 129.23 2arw s LEU 82 Ca -0.05 -2.80 -0.22 0.00 0.01 0.00 0.00 54.13 51.07 2arw s LEU 82 Cb -0.20 -2.09 -0.07 0.00 0.01 0.00 0.00 46.19 43.84 2arw s LEU 82 CO -0.00 -0.49 1.18 -0.13 1.01 0.00 0.00 176.35 177.92 2arw s ARG 83 N -0.00 3.59 -0.61 1.70 0.52 -1.26 -4.44 118.95 118.44 2arw s ARG 83 Ca 0.18 1.79 0.02 0.00 -0.52 0.00 0.00 55.73 57.20 2arw s ARG 83 Cb -0.13 -2.30 0.15 0.00 0.52 0.00 0.00 34.95 33.19 2arw s ARG 83 CO -0.07 -0.70 0.40 0.00 0.02 0.00 0.00 175.30 174.95 2arw s ALA 84 N -1.56 3.56 0.00 2.13 0.00 -1.26 -2.75 121.76 121.87 2arw s ALA 84 Ca 0.67 -3.42 0.00 0.00 0.00 0.00 0.00 51.96 49.21 2arw s ALA 84 Cb -0.29 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.46 2arw s ALA 84 CO 0.35 -2.07 0.00 0.94 0.00 0.00 0.00 175.76 174.97 2arw n GLN 85 N 2.96 0.00 -3.64 0.00 7.27 -1.07 -1.35 117.38 121.55 2arw n GLN 85 Ca 0.10 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.11 2arw n GLN 85 Cb 0.35 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.93 2arw n GLN 85 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2arw s GLU 86 N 0.00 0.24 0.00 3.69 0.41 -1.26 -4.68 118.70 117.10 2arw s GLU 86 Ca 0.00 0.29 0.00 0.00 -0.41 0.00 0.00 54.97 54.85 2arw s GLU 86 Cb 0.00 0.12 0.00 0.00 -1.78 0.00 0.00 34.13 32.47 2arw s GLU 86 CO 0.00 -0.03 1.25 -0.85 -0.49 0.00 0.00 175.26 175.14 2arw n GLU 87 N 1.88 0.68 0.00 1.61 0.28 -1.26 -3.24 120.64 120.59 2arw n GLU 87 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 2arw n GLU 87 Cb 0.56 -1.16 0.00 0.00 1.43 0.00 0.00 31.44 32.28 2arw n GLU 87 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2arw n PHE 88 N 1.50 0.00 -3.09 -1.84 -0.00 -1.26 -5.03 117.46 107.74 2arw n PHE 88 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.33 2arw n PHE 88 Cb 0.34 0.00 0.05 0.00 -0.00 0.00 0.00 39.48 39.87 2arw n PHE 88 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2arw n GLY 89 N 0.00 -1.04 0.00 7.13 0.00 -1.20 -5.05 105.19 105.03 2arw n GLY 89 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2arw n GLY 89 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2arw n GLN 90 N -2.87 0.00 0.00 1.61 1.13 -1.26 -4.94 117.38 111.05 2arw n GLN 90 Ca -0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 2arw n GLN 90 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.94 2arw n GLN 90 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2arw n GLY 91 N 4.90 -0.83 3.62 1.08 0.00 -1.26 -4.80 105.19 107.90 2arw n GLY 91 Ca 0.00 0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 2arw n GLY 91 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2arw s GLU 92 N -0.74 0.22 0.30 1.61 2.56 -1.26 -4.82 118.70 116.57 2arw s GLU 92 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 54.97 54.74 2arw s GLU 92 Cb 0.00 0.10 -0.13 0.00 2.00 0.00 0.00 34.13 36.10 2arw s GLU 92 CO 0.00 -0.07 1.23 0.91 -0.56 0.00 0.00 175.26 176.77 2arw n TRP 93 N 0.60 1.91 -1.77 5.30 7.02 -1.26 -4.52 117.44 124.72 2arw n TRP 93 Ca -0.03 0.58 -0.39 0.00 -1.02 0.00 0.00 57.50 56.64 2arw n TRP 93 Cb 0.59 -2.37 0.04 0.00 -2.42 0.00 0.00 31.31 27.14 2arw n TRP 93 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2arw s SER 94 N -0.24 5.42 -0.33 -0.99 1.04 -0.46 -4.89 113.70 113.25 2arw s SER 94 Ca 0.60 2.83 -0.06 0.00 0.48 0.00 0.00 55.95 59.80 2arw s SER 94 Cb -0.64 -2.64 -0.19 0.00 0.10 0.00 0.00 66.02 62.65 2arw s SER 94 CO 0.58 -1.47 3.39 -1.84 0.98 0.00 0.00 173.24 174.88 2arw n GLU 95 N -0.79 2.37 -1.45 4.02 0.00 -1.26 -4.75 120.64 118.79 2arw n GLU 95 Ca 0.09 -1.41 0.00 0.00 0.00 0.00 0.00 57.16 55.83 2arw n GLU 95 Cb 0.44 -2.15 0.00 0.00 0.00 0.00 0.00 31.44 29.73 2arw n GLU 95 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 2arw n TRP 96 N 2.43 -3.97 -4.20 -1.84 5.03 -1.26 -5.11 117.44 108.53 2arw n TRP 96 Ca 0.50 2.14 -0.28 0.00 3.03 0.00 0.00 57.50 62.89 2arw n TRP 96 Cb 0.75 -3.34 -0.05 0.00 -1.03 0.00 0.00 31.31 27.65 2arw n TRP 96 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 2arw s SER 97 N -4.59 4.43 0.73 -0.99 1.04 -1.26 -5.00 113.70 108.06 2arw s SER 97 Ca 0.00 -1.30 -0.16 0.00 0.48 0.00 0.00 55.95 54.97 2arw s SER 97 Cb 0.00 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 2arw s SER 97 CO 0.00 -0.86 0.62 -0.81 0.98 0.00 0.00 173.24 173.18 2arw n PRO 98 N -1.46 0.31 -3.39 4.02 -0.04 -1.26 -4.69 135.00 128.48 2arw n PRO 98 Ca -0.06 0.15 -0.43 0.00 -0.04 0.00 0.00 63.50 63.12 2arw n PRO 98 Cb 0.65 -1.92 -0.09 0.00 -0.04 0.00 0.00 33.50 32.10 2arw n PRO 98 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2arw s GLU 99 N -2.93 3.04 -0.76 0.54 1.03 -1.26 -4.51 118.70 113.86 2arw s GLU 99 Ca 0.67 -0.88 -0.19 0.00 0.03 0.00 0.00 54.97 54.59 2arw s GLU 99 Cb -0.34 -3.97 0.12 0.00 -0.80 0.00 0.00 34.13 29.14 2arw s GLU 99 CO 0.57 -0.79 0.92 0.00 -1.33 0.00 0.00 175.26 174.62 2arw s ALA 100 N 1.90 3.42 -0.35 -0.84 0.00 -1.23 -4.93 121.76 119.73 2arw s ALA 100 Ca 0.08 -2.49 -0.19 0.00 0.00 0.00 0.00 51.96 49.37 2arw s ALA 100 Cb -0.18 -3.78 -0.00 0.00 0.00 0.00 0.00 23.12 19.16 2arw s ALA 100 CO 0.12 -2.65 0.54 -1.64 0.00 0.00 0.00 175.76 172.12 2arw s MET 101 N 2.63 3.65 0.29 0.00 -1.94 -1.25 -2.33 119.30 120.35 2arw s MET 101 Ca 0.22 -0.10 -0.21 0.00 -1.71 0.00 0.00 55.69 53.90 2arw s MET 101 Cb -0.14 -3.80 0.02 0.00 2.01 0.00 0.00 34.83 32.92 2arw s MET 101 CO -0.01 -0.65 0.73 0.20 -0.01 0.00 0.00 175.02 175.28 2arw s GLY 102 N 1.76 -0.05 0.00 -0.03 0.00 -1.18 -4.87 107.32 102.95 2arw s GLY 102 Ca 0.20 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.57 2arw s GLY 102 CO 0.13 -0.11 0.19 2.41 0.00 0.00 0.00 173.10 175.73