#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwl s VAL 2 N 0.00 3.01 -0.13 1.12 -7.23 -1.25 -4.80 120.40 111.12 2wwl s VAL 2 Ca 0.00 -2.02 -0.03 0.00 -1.81 0.00 0.00 61.98 58.12 2wwl s VAL 2 Cb 0.00 -2.56 0.05 0.00 0.56 0.00 0.00 36.38 34.42 2wwl s VAL 2 CO 0.00 -0.30 0.04 -0.89 -0.31 0.00 0.00 175.10 173.64 2wwl s THR 3 N -2.19 0.24 0.07 5.32 2.01 0.27 -1.82 115.64 119.52 2wwl s THR 3 Ca 0.29 -0.12 -0.20 0.00 0.31 0.00 0.00 61.69 61.97 2wwl s THR 3 Cb -0.07 -0.64 -0.07 0.00 0.01 0.00 0.00 72.50 71.73 2wwl s THR 3 CO 0.17 -0.03 0.61 -0.63 -0.69 0.00 0.00 174.62 174.04 2wwl s ILE 4 N 2.01 4.72 0.16 1.82 1.01 -0.21 -0.41 121.20 130.29 2wwl s ILE 4 Ca 0.02 1.30 -0.24 0.00 0.00 0.00 0.00 60.65 61.73 2wwl s ILE 4 Cb -0.15 -3.94 0.06 0.00 0.01 0.00 0.00 42.46 38.44 2wwl s ILE 4 CO -0.07 0.52 0.80 0.00 0.00 0.00 0.00 174.94 176.19 2wwl s ARG 5 N -0.90 1.30 0.47 2.79 1.70 0.15 -3.63 118.95 120.82 2wwl s ARG 5 Ca 0.30 -0.63 -0.05 0.00 -0.47 0.00 0.00 55.73 54.89 2wwl s ARG 5 Cb -0.20 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.64 2wwl s ARG 5 CO 0.20 -0.59 0.76 -0.51 -1.08 0.00 0.00 175.30 174.08 2wwl s LEU 6 N -2.80 3.67 -0.35 -1.89 1.43 -1.26 -1.44 118.68 116.04 2wwl s LEU 6 Ca 0.08 0.88 0.05 0.00 -1.03 0.00 0.00 54.13 54.10 2wwl s LEU 6 Cb -0.02 -3.82 0.17 0.00 0.03 0.00 0.00 46.19 42.54 2wwl s LEU 6 CO -0.02 -0.55 0.49 0.00 0.23 0.00 0.00 176.35 176.50 2wwl s ALA 7 N -2.70 -1.47 -0.14 4.21 0.00 -1.03 -4.89 121.76 115.74 2wwl s ALA 7 Ca 0.47 -0.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 2wwl s ALA 7 Cb -0.10 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.66 2wwl s ALA 7 CO 0.44 -2.03 1.31 0.50 0.00 0.00 0.00 175.76 175.98 2wwl s ARG 8 N 2.01 4.23 0.00 0.00 3.52 -1.26 -2.87 118.95 124.59 2wwl s ARG 8 Ca 0.14 1.73 0.02 0.00 -0.13 0.00 0.00 55.73 57.49 2wwl s ARG 8 Cb -0.10 -3.78 -0.00 0.00 -1.56 0.00 0.00 34.95 29.51 2wwl s ARG 8 CO -0.14 -0.71 0.31 0.72 -0.81 0.00 0.00 175.30 174.67 2wwl n HIS 9 N 6.59 0.00 -1.98 5.12 8.25 -0.67 -4.96 115.22 127.58 2wwl n HIS 9 Ca 0.14 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.26 2wwl n HIS 9 Cb 0.45 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.59 2wwl n HIS 9 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2wwl s GLY 10 N -0.65 2.46 0.54 -1.41 0.00 -1.10 -4.91 107.32 102.25 2wwl s GLY 10 Ca 0.01 0.76 -0.21 0.00 0.00 0.00 0.00 44.72 45.28 2wwl s GLY 10 CO 0.04 1.13 1.30 0.00 0.00 0.00 0.00 173.10 175.57 2wwl s ALA 11 N -1.96 2.78 0.05 3.20 0.00 -1.24 -4.59 121.76 120.01 2wwl s ALA 11 Ca 0.72 1.21 -0.09 0.00 0.00 0.00 0.00 51.96 53.79 2wwl s ALA 11 Cb -0.24 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.31 2wwl s ALA 11 CO 0.34 -1.22 0.18 1.17 0.00 0.00 0.00 175.76 176.24 2wwl n LYS 12 N -1.05 0.00 -4.02 0.00 4.81 -1.26 -2.52 118.16 114.12 2wwl n LYS 12 Ca 0.11 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.28 2wwl n LYS 12 Cb 0.46 -0.32 -0.03 0.00 0.02 0.00 0.00 35.03 35.16 2wwl n LYS 12 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2wwl n LYS 13 N 0.32 -2.96 -2.66 1.64 5.02 -1.26 -4.92 118.16 113.33 2wwl n LYS 13 Ca 0.05 0.36 -0.02 0.00 -2.02 0.00 0.00 58.31 56.68 2wwl n LYS 13 Cb 0.06 -4.43 0.03 0.00 -0.02 0.00 0.00 35.03 30.67 2wwl n LYS 13 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2wwl s ARG 14 N -6.69 0.06 -0.20 1.97 3.52 -1.05 -5.15 118.95 111.41 2wwl s ARG 14 Ca 0.04 -0.05 -0.38 0.00 -0.13 0.00 0.00 55.73 55.22 2wwl s ARG 14 Cb -0.02 -0.00 -0.14 0.00 -1.56 0.00 0.00 34.95 33.22 2wwl s ARG 14 CO 0.91 -0.07 1.79 -2.30 -0.81 0.00 0.00 175.30 174.82 2wwl n PRO 15 N 2.78 1.56 -3.82 5.12 -0.02 -1.26 -3.64 135.00 135.72 2wwl n PRO 15 Ca 0.09 0.57 -0.30 0.00 -2.02 0.00 0.00 63.50 61.84 2wwl n PRO 15 Cb 0.66 -2.32 -0.14 0.00 -0.02 0.00 0.00 33.50 31.68 2wwl n PRO 15 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2wwl s PHE 16 N 3.70 2.47 1.27 6.00 2.19 -1.26 -4.59 117.98 127.77 2wwl s PHE 16 Ca 0.96 -2.52 -0.19 0.00 0.33 0.00 0.00 56.93 55.51 2wwl s PHE 16 Cb -0.92 -2.22 0.29 0.00 -1.31 0.00 0.00 43.02 38.86 2wwl s PHE 16 CO 0.60 -0.83 0.65 0.66 1.83 0.00 0.00 175.22 178.13 2wwl n TYR 17 N 3.89 -2.92 -3.15 10.12 4.02 -0.96 -1.67 117.16 126.49 2wwl n TYR 17 Ca 0.05 -0.42 0.04 0.00 -0.01 0.00 0.00 57.90 57.56 2wwl n TYR 17 Cb 0.37 -1.40 -0.01 0.00 -0.02 0.00 0.00 39.34 38.28 2wwl n TYR 17 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2wwl s GLN 18 N -4.34 0.43 -0.18 -0.72 0.74 -1.14 -3.98 119.66 110.48 2wwl s GLN 18 Ca 0.55 0.61 -0.29 0.00 0.05 0.00 0.00 55.36 56.29 2wwl s GLN 18 Cb -0.11 0.32 -0.02 0.00 1.10 0.00 0.00 33.01 34.30 2wwl s GLN 18 CO 0.49 -0.62 1.34 0.54 -0.55 0.00 0.00 175.29 176.49 2wwl s VAL 19 N 2.88 4.13 0.06 1.34 0.11 -1.23 -2.47 120.40 125.22 2wwl s VAL 19 Ca 0.14 1.35 0.01 0.00 -2.93 0.00 0.00 61.98 60.55 2wwl s VAL 19 Cb -0.11 -3.93 -0.03 0.00 -1.53 0.00 0.00 36.38 30.78 2wwl s VAL 19 CO -0.21 -0.19 -0.05 0.54 -3.33 0.00 0.00 175.10 171.86 2wwl s VAL 20 N 3.82 0.42 -0.24 2.04 0.11 -0.52 -1.33 120.40 124.70 2wwl s VAL 20 Ca 0.58 -1.56 -0.08 0.00 -2.93 0.00 0.00 61.98 58.00 2wwl s VAL 20 Cb -0.23 -1.19 -0.03 0.00 -1.53 0.00 0.00 36.38 33.40 2wwl s VAL 20 CO 0.19 -0.76 0.08 -0.69 -3.33 0.00 0.00 175.10 170.59 2wwl s VAL 21 N -2.92 4.50 0.00 2.04 1.01 -0.70 -0.67 120.40 123.65 2wwl s VAL 21 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2wwl s VAL 21 Cb 0.01 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.29 2wwl s VAL 21 CO -0.05 0.35 0.00 0.00 0.00 0.00 0.00 175.10 175.40 2wwl n ALA 22 N 4.72 0.00 -2.97 5.51 0.00 0.45 -1.27 120.51 126.95 2wwl n ALA 22 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 2wwl n ALA 22 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 2wwl n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wwl s ASP 23 N 1.00 0.12 -0.83 0.00 1.11 -1.26 -0.57 116.67 116.24 2wwl s ASP 23 Ca 0.00 -0.27 -0.20 0.00 0.18 0.00 0.00 52.55 52.26 2wwl s ASP 23 Cb 0.00 0.10 0.11 0.00 1.07 0.00 0.00 42.92 44.20 2wwl s ASP 23 CO 0.00 -0.21 1.07 -0.94 1.18 0.00 0.00 175.17 176.28 2wwl s SER 24 N -0.93 6.46 0.00 0.27 1.04 -1.26 -3.24 113.70 116.04 2wwl s SER 24 Ca -0.10 -1.66 0.00 0.00 0.48 0.00 0.00 55.95 54.67 2wwl s SER 24 Cb -0.06 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.65 2wwl s SER 24 CO -0.00 -1.21 0.00 -2.11 0.98 0.00 0.00 173.24 170.90 2wwl n ARG 25 N 7.01 0.00 -3.97 4.02 1.85 -1.26 -5.10 116.66 119.22 2wwl n ARG 25 Ca 0.14 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.89 2wwl n ARG 25 Cb 0.48 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.86 2wwl n ARG 25 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 2wwl s ASN 26 N 0.00 0.22 0.34 2.89 -0.87 -1.20 -5.15 114.94 111.18 2wwl s ASN 26 Ca 0.00 -1.12 -0.26 0.00 -1.57 0.00 0.00 52.86 49.91 2wwl s ASN 26 Cb 0.00 0.69 -0.09 0.00 -0.02 0.00 0.00 41.25 41.83 2wwl s ASN 26 CO 0.00 -1.34 1.04 0.00 -2.57 0.00 0.00 177.10 174.23 2wwl s ALA 27 N -3.30 3.21 0.21 0.60 0.00 -1.26 -4.96 121.76 116.26 2wwl s ALA 27 Ca 0.22 0.73 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 2wwl s ALA 27 Cb -0.02 -3.27 0.27 0.00 0.00 0.00 0.00 23.12 20.10 2wwl s ALA 27 CO 0.13 -0.12 1.68 0.07 0.00 0.00 0.00 175.76 177.52 2wwl h ARG 28 N 3.08 0.14 -0.74 0.00 0.11 -1.95 -1.82 114.38 113.20 2wwl h ARG 28 Ca -0.47 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.60 2wwl h ARG 28 Cb 1.21 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.26 2wwl h ARG 28 CO 0.64 0.09 0.00 0.09 0.10 0.00 0.00 179.97 180.90 2wwl n ASN 29 N -5.24 3.98 0.00 0.08 3.02 -1.26 -4.76 115.26 111.08 2wwl n ASN 29 Ca 0.08 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 2wwl n ASN 29 Cb 0.33 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 2wwl n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wwl n GLY 30 N 1.68 0.46 3.70 7.41 0.00 -0.68 -5.02 105.19 112.73 2wwl n GLY 30 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2wwl n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wwl s ARG 31 N 2.99 4.39 0.21 1.61 3.52 -1.24 -4.96 118.95 125.48 2wwl s ARG 31 Ca 0.00 1.79 0.04 0.00 -0.13 0.00 0.00 55.73 57.43 2wwl s ARG 31 Cb 0.00 -3.42 -0.05 0.00 -1.56 0.00 0.00 34.95 29.92 2wwl s ARG 31 CO 0.00 -0.35 -0.03 -0.06 -0.81 0.00 0.00 175.30 174.05 2wwl s PHE 32 N 1.49 1.51 0.00 5.12 2.99 -1.26 -4.49 117.98 123.34 2wwl s PHE 32 Ca 0.59 -0.86 0.00 0.00 0.00 0.00 0.00 56.93 56.65 2wwl s PHE 32 Cb -0.29 -0.84 0.00 0.00 0.00 0.00 0.00 43.02 41.89 2wwl s PHE 32 CO 0.27 0.01 0.00 -0.89 -0.00 0.00 0.00 175.22 174.61 2wwl n ILE 33 N -0.37 0.00 -3.48 0.64 2.08 -0.39 -4.97 119.36 112.87 2wwl n ILE 33 Ca -0.06 0.29 -0.14 0.00 0.56 0.00 0.00 62.75 63.40 2wwl n ILE 33 Cb 0.63 -1.27 -0.04 0.00 -0.75 0.00 0.00 39.64 38.21 2wwl n ILE 33 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2wwl s GLU 34 N -0.58 1.09 1.06 0.38 4.04 -1.20 -5.04 118.70 118.46 2wwl s GLU 34 Ca 0.00 -0.09 -0.17 0.00 0.04 0.00 0.00 54.97 54.75 2wwl s GLU 34 Cb 0.00 0.51 0.23 0.00 0.02 0.00 0.00 34.13 34.89 2wwl s GLU 34 CO 0.00 -0.41 1.18 1.03 -1.84 0.00 0.00 175.26 175.22 2wwl s ARG 35 N -2.38 -0.11 0.00 -4.83 0.52 -1.26 -1.72 118.95 109.16 2wwl s ARG 35 Ca -0.04 -0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.08 2wwl s ARG 35 Cb -0.01 -1.73 0.00 0.00 0.52 0.00 0.00 34.95 33.74 2wwl s ARG 35 CO -0.02 -2.97 0.52 1.33 0.02 0.00 0.00 175.30 174.19 2wwl n VAL 36 N -4.23 0.00 0.00 3.52 0.24 -0.44 -4.70 118.33 112.71 2wwl n VAL 36 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 2wwl n VAL 36 Cb 0.59 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 2wwl n VAL 36 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wwl n GLY 37 N 0.00 0.32 3.45 7.63 0.00 -1.00 -4.30 105.19 111.29 2wwl n GLY 37 Ca 0.00 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 2wwl n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wwl s PHE 38 N -2.24 0.56 -0.07 1.61 -0.12 -1.25 -3.55 117.98 112.93 2wwl s PHE 38 Ca 0.00 -0.89 -0.03 0.00 -0.05 0.00 0.00 56.93 55.96 2wwl s PHE 38 Cb 0.00 -0.04 0.04 0.00 -0.63 0.00 0.00 43.02 42.39 2wwl s PHE 38 CO 0.00 -0.86 0.14 0.12 -0.05 0.00 0.00 175.22 174.57 2wwl s PHE 39 N -4.04 -0.15 -0.08 3.49 5.36 -1.24 -3.30 117.98 118.03 2wwl s PHE 39 Ca 0.26 0.50 0.00 0.00 -0.96 0.00 0.00 56.93 56.73 2wwl s PHE 39 Cb 0.02 -0.19 0.02 0.00 -0.34 0.00 0.00 43.02 42.53 2wwl s PHE 39 CO 0.08 -0.21 -0.07 1.21 -1.46 0.00 0.00 175.22 174.78 2wwl s ASN 40 N 1.67 1.69 0.00 6.13 2.47 -0.40 -2.27 114.94 124.23 2wwl s ASN 40 Ca -0.03 -0.22 0.19 0.00 0.42 0.00 0.00 52.86 53.22 2wwl s ASN 40 Cb -0.12 -0.68 0.53 0.00 -1.45 0.00 0.00 41.25 39.53 2wwl s ASN 40 CO -0.06 -0.08 1.44 -0.81 -3.72 0.00 0.00 177.10 173.87 2wwl n PRO 41 N 4.50 2.31 -0.00 0.43 -0.04 -1.26 -3.89 135.00 137.04 2wwl n PRO 41 Ca -0.17 -2.02 0.07 0.00 -0.04 0.00 0.00 63.50 61.34 2wwl n PRO 41 Cb 0.51 -1.46 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 2wwl n PRO 41 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2wwl n ILE 42 N 1.17 0.00 -1.83 0.52 2.08 -1.26 -4.91 119.36 115.13 2wwl n ILE 42 Ca 0.19 -0.28 -0.40 0.00 0.56 0.00 0.00 62.75 62.83 2wwl n ILE 42 Cb 0.50 0.45 0.02 0.00 -0.75 0.00 0.00 39.64 39.86 2wwl n ILE 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wwl s ALA 43 N -2.78 3.19 0.00 -1.39 0.00 -1.25 -4.89 121.76 114.63 2wwl s ALA 43 Ca -0.02 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.36 2wwl s ALA 43 Cb 0.10 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2wwl s ALA 43 CO 0.60 -1.17 0.31 0.43 0.00 0.00 0.00 175.76 175.93 2wwl n SER 44 N -0.26 0.00 0.00 0.00 7.64 -1.26 -4.96 113.62 114.77 2wwl n SER 44 Ca 0.06 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 58.84 2wwl n SER 44 Cb 0.42 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2wwl n SER 44 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2wwl n GLU 45 N 0.00 0.00 0.00 1.43 -0.58 -1.26 -4.98 120.64 115.25 2wwl n GLU 45 Ca 0.00 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.82 2wwl n GLU 45 Cb 0.52 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.29 2wwl n GLU 45 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wwl n LYS 46 N -0.45 1.22 -3.54 3.49 5.02 -1.26 -4.94 118.16 117.70 2wwl n LYS 46 Ca 0.00 -0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 56.16 2wwl n LYS 46 Cb 0.00 -1.33 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 2wwl n LYS 46 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2wwl s GLU 47 N -2.64 1.22 -0.10 1.97 -1.05 -1.26 -5.16 118.70 111.68 2wwl s GLU 47 Ca 0.07 -0.60 -0.22 0.00 -0.15 0.00 0.00 54.97 54.06 2wwl s GLU 47 Cb 0.13 0.54 -0.04 0.00 -0.44 0.00 0.00 34.13 34.33 2wwl s GLU 47 CO 0.71 -0.51 0.65 -2.00 0.95 0.00 0.00 175.26 175.06 2wwl s GLU 48 N -3.78 4.38 0.00 -4.83 2.56 -1.26 -4.55 118.70 111.22 2wwl s GLU 48 Ca 0.03 0.76 0.22 0.00 0.00 0.00 0.00 54.97 55.98 2wwl s GLU 48 Cb -0.00 -3.47 0.60 0.00 2.00 0.00 0.00 34.13 33.26 2wwl s GLU 48 CO -0.11 0.03 1.48 0.41 -0.56 0.00 0.00 175.26 176.50 2wwl n GLY 49 N 3.24 0.87 3.21 -1.50 0.00 -1.26 -4.90 105.19 104.86 2wwl n GLY 49 Ca -0.02 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 2wwl n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wwl s THR 50 N -1.68 0.89 -0.05 2.61 -4.23 -1.26 -1.27 115.64 110.64 2wwl s THR 50 Ca 0.34 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.84 2wwl s THR 50 Cb 0.20 -1.81 0.03 0.00 1.34 0.00 0.00 72.50 72.26 2wwl s THR 50 CO 0.28 -0.77 0.11 -0.60 -0.54 0.00 0.00 174.62 173.10 2wwl s ARG 51 N -3.81 0.05 0.00 3.99 3.52 -1.21 -4.86 118.95 116.64 2wwl s ARG 51 Ca 0.15 0.30 0.00 0.00 -0.13 0.00 0.00 55.73 56.05 2wwl s ARG 51 Cb 0.04 -0.18 0.00 0.00 -1.56 0.00 0.00 34.95 33.25 2wwl s ARG 51 CO -0.01 -0.15 0.00 1.28 -0.81 0.00 0.00 175.30 175.60 2wwl n LEU 52 N 4.11 1.39 -0.29 -0.88 4.77 -1.26 -3.87 117.00 120.96 2wwl n LEU 52 Ca -0.26 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.68 2wwl n LEU 52 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 2wwl n LEU 52 CO 0.19 0.00 -0.04 0.47 -1.33 0.00 0.00 177.39 176.69 2wwl n ASP 53 N -0.33 -3.69 0.00 -1.43 8.00 -1.26 -4.63 116.55 113.21 2wwl n ASP 53 Ca 0.00 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2wwl n ASP 53 Cb 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 39.58 2wwl n ASP 53 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2wwl n LEU 54 N -0.43 0.00 -0.06 0.64 7.94 -1.26 -0.91 117.00 122.91 2wwl n LEU 54 Ca -0.04 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.73 2wwl n LEU 54 Cb 0.16 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.03 2wwl n LEU 54 CO 0.06 0.00 0.54 -2.24 -1.11 0.00 0.00 177.39 174.63 2wwl h ASP 55 N 0.00 -1.61 0.06 1.96 2.03 -1.99 -2.03 116.42 114.85 2wwl h ASP 55 Ca 0.00 0.21 0.01 0.00 -0.73 0.00 0.00 57.03 56.52 2wwl h ASP 55 Cb 0.00 0.65 -0.04 0.00 -0.83 0.00 0.00 39.33 39.11 2wwl h ASP 55 CO 0.00 -0.44 -0.46 0.03 -1.03 0.00 0.00 179.24 177.34 2wwl h ARG 56 N -0.48 -0.61 -0.80 4.15 2.47 -1.44 -2.64 114.38 115.03 2wwl h ARG 56 Ca 0.07 0.04 0.14 0.00 -1.26 0.00 0.00 59.98 58.98 2wwl h ARG 56 Cb 0.64 0.14 -0.09 0.00 -1.65 0.00 0.00 29.97 29.00 2wwl h ARG 56 CO -0.49 -0.40 0.38 0.82 0.56 0.00 0.00 179.97 180.83 2wwl h ILE 57 N -0.63 0.70 -0.45 2.04 2.04 -1.44 -2.21 117.51 117.56 2wwl h ILE 57 Ca 0.00 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 2wwl h ILE 57 Cb 0.65 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2wwl h ILE 57 CO -0.28 0.10 0.12 0.00 0.00 0.00 0.00 178.15 178.10 2wwl h ALA 58 N 1.55 1.39 0.13 1.87 0.00 -1.01 0.21 119.26 123.39 2wwl h ALA 58 Ca 0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2wwl h ALA 58 Cb 0.64 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2wwl h ALA 58 CO -0.38 0.45 -0.06 1.25 0.00 0.00 0.00 179.25 180.51 2wwl h HIS 59 N 0.64 -0.16 -0.69 0.00 -0.00 -1.20 -3.30 115.15 110.44 2wwl h HIS 59 Ca 0.15 -0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.61 2wwl h HIS 59 Cb 0.22 0.05 -0.07 0.00 -0.00 0.00 0.00 27.41 27.61 2wwl h HIS 59 CO 0.01 0.15 0.33 -1.49 -0.00 0.00 0.00 177.93 176.93 2wwl h TRP 60 N -0.48 0.58 -0.92 5.26 4.06 -0.20 -1.35 115.95 122.90 2wwl h TRP 60 Ca -0.02 0.03 0.14 0.00 2.06 0.00 0.00 58.89 61.10 2wwl h TRP 60 Cb 0.38 -0.16 -0.08 0.00 -1.00 0.00 0.00 29.16 28.31 2wwl h TRP 60 CO 0.02 0.19 0.59 -0.39 -3.56 0.00 0.00 178.44 175.30 2wwl h VAL 61 N 0.55 0.84 -0.03 1.49 -1.51 -0.86 -1.57 116.25 115.17 2wwl h VAL 61 Ca 0.35 -0.26 -0.17 0.00 -1.23 0.00 0.00 66.70 65.39 2wwl h VAL 61 Cb 0.39 0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 29.56 2wwl h VAL 61 CO -0.28 0.14 -0.74 1.23 -1.23 0.00 0.00 177.57 176.68 2wwl h GLY 62 N 0.75 0.20 1.32 5.19 0.00 -1.34 -3.03 103.07 106.17 2wwl h GLY 62 Ca 0.47 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2wwl h GLY 62 CO -0.23 0.27 0.00 -1.06 0.00 0.00 0.00 176.54 175.52 2wwl n GLN 63 N -3.75 0.28 0.00 4.80 1.13 -0.66 -4.86 117.38 114.32 2wwl n GLN 63 Ca -0.03 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 2wwl n GLN 63 Cb 0.71 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.56 2wwl n GLN 63 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wwl n GLY 64 N -0.20 1.27 3.50 1.08 0.00 -0.79 -4.63 105.19 105.42 2wwl n GLY 64 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 2wwl n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwl n ALA 65 N -1.24 -1.86 -2.85 4.61 0.00 -0.86 -3.83 120.51 114.48 2wwl n ALA 65 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 53.44 52.82 2wwl n ALA 65 Cb 0.00 -1.92 -0.11 0.00 0.00 0.00 0.00 19.45 17.42 2wwl n ALA 65 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wwl s THR 66 N -2.33 0.35 0.02 0.00 -4.23 -0.76 -4.80 115.64 103.88 2wwl s THR 66 Ca 0.62 -1.07 0.07 0.00 -1.18 0.00 0.00 61.69 60.12 2wwl s THR 66 Cb -0.24 -0.54 -0.02 0.00 1.34 0.00 0.00 72.50 73.03 2wwl s THR 66 CO 0.63 -0.48 -0.21 0.27 -0.54 0.00 0.00 174.62 174.28 2wwl s ILE 67 N -1.62 1.69 0.40 2.99 -4.36 -1.26 -1.05 121.20 118.00 2wwl s ILE 67 Ca -0.11 -1.10 0.06 0.00 -0.26 0.00 0.00 60.65 59.23 2wwl s ILE 67 Cb -0.09 -1.45 0.00 0.00 1.25 0.00 0.00 42.46 42.18 2wwl s ILE 67 CO -0.01 0.31 0.56 -0.94 0.24 0.00 0.00 174.94 175.10 2wwl s SER 68 N -0.94 5.77 0.18 4.36 1.04 -1.24 -4.88 113.70 118.00 2wwl s SER 68 Ca 0.08 -0.19 -0.14 0.00 0.48 0.00 0.00 55.95 56.17 2wwl s SER 68 Cb -0.09 -1.03 0.16 0.00 0.10 0.00 0.00 66.02 65.17 2wwl s SER 68 CO 0.01 -0.65 1.68 0.44 0.98 0.00 0.00 173.24 175.70 2wwl h ASP 69 N 0.66 -0.22 0.70 7.02 5.19 -1.99 -2.46 116.42 125.32 2wwl h ASP 69 Ca -0.43 0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.05 2wwl h ASP 69 Cb 1.27 0.20 0.01 0.00 0.18 0.00 0.00 39.33 40.99 2wwl h ASP 69 CO 0.51 -0.07 -0.34 0.03 -3.12 0.00 0.00 179.24 176.25 2wwl h ARG 70 N 0.10 -0.91 -0.20 3.56 2.47 -1.97 -2.04 114.38 115.40 2wwl h ARG 70 Ca 0.23 0.06 0.06 0.00 -1.26 0.00 0.00 59.98 59.07 2wwl h ARG 70 Cb 0.35 0.21 -0.06 0.00 -1.65 0.00 0.00 29.97 28.81 2wwl h ARG 70 CO -0.40 -0.61 -0.23 -0.39 0.56 0.00 0.00 179.97 178.91 2wwl h VAL 71 N -0.99 0.43 -0.67 2.04 -1.51 -1.87 -1.56 116.25 112.12 2wwl h VAL 71 Ca -0.10 0.00 0.14 0.00 -1.23 0.00 0.00 66.70 65.52 2wwl h VAL 71 Cb 0.72 0.43 -0.11 0.00 -2.13 0.00 0.00 31.29 30.21 2wwl h VAL 71 CO 0.16 0.00 0.08 0.00 -1.23 0.00 0.00 177.57 176.58 2wwl h ALA 72 N 0.78 0.76 -0.00 5.19 0.00 -1.55 -1.68 119.26 122.76 2wwl h ALA 72 Ca 0.12 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2wwl h ALA 72 Cb 0.44 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2wwl h ALA 72 CO -0.35 -0.37 -0.02 0.00 0.00 0.00 0.00 179.25 178.51 2wwl n ALA 73 N -2.73 2.59 -0.07 0.00 0.00 -0.77 -3.62 120.51 115.92 2wwl n ALA 73 Ca 0.11 -0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 2wwl n ALA 73 Cb 0.40 -1.46 -0.15 0.00 0.00 0.00 0.00 19.45 18.24 2wwl n ALA 73 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wwl n LEU 74 N -1.12 0.34 0.02 0.00 7.94 -0.62 -1.99 117.00 121.56 2wwl n LEU 74 Ca 0.17 0.16 0.04 0.00 -1.11 0.00 0.00 56.01 55.27 2wwl n LEU 74 Cb 0.22 0.37 0.42 0.00 0.53 0.00 0.00 43.42 44.96 2wwl n LEU 74 CO 0.22 0.45 1.12 0.40 -1.11 0.00 0.00 177.39 178.47 2wwl h ILE 75 N 0.00 1.11 -0.25 1.96 2.04 -1.57 -2.85 117.51 117.94 2wwl h ILE 75 Ca -0.44 -0.26 -0.17 0.00 1.00 0.00 0.00 64.86 64.98 2wwl h ILE 75 Cb 2.15 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 38.82 2wwl h ILE 75 CO 0.05 0.12 -0.54 0.50 0.00 0.00 0.00 178.15 178.28 2wwl h LYS 76 N 0.51 0.75 0.00 2.37 3.64 -1.61 -1.30 116.57 120.93 2wwl h LYS 76 Ca 0.13 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2wwl h LYS 76 Cb -0.00 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2wwl h LYS 76 CO -0.02 1.10 0.00 0.39 -2.27 0.00 0.00 179.45 178.64 2wwl n GLU 77 N -3.99 0.13 0.00 1.90 1.02 -0.84 -0.67 120.64 118.19 2wwl n GLU 77 Ca -0.04 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 2wwl n GLU 77 Cb 0.61 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 2wwl n GLU 77 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2wwl n VAL 78 N -2.20 0.00 -0.21 2.62 0.24 -1.21 -5.09 118.33 112.48 2wwl n VAL 78 Ca -0.01 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 2wwl n VAL 78 Cb 0.05 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 2wwl n VAL 78 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2wwl n ASN 79 N -0.56 0.00 0.00 -1.34 4.13 0.16 -5.09 115.26 112.56 2wwl n ASN 79 Ca 0.00 0.00 0.14 0.00 1.68 0.00 0.00 54.58 56.40 2wwl n ASN 79 Cb 0.01 0.00 0.82 0.00 -1.54 0.00 0.00 39.78 39.07 2wwl n ASN 79 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71