#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl s VAL 4 N 0.00 5.31 0.57 3.15 0.11 -1.26 -4.00 120.40 124.28 2wdl s VAL 4 Ca 0.00 0.10 -0.17 0.00 -2.93 0.00 0.00 61.98 58.98 2wdl s VAL 4 Cb 0.00 -3.57 -0.05 0.00 -1.53 0.00 0.00 36.38 31.23 2wdl s VAL 4 CO 0.00 0.33 1.06 0.00 -3.33 0.00 0.00 175.10 173.16 2wdl h GLU 6 N 0.76 0.03 0.30 0.00 5.08 -1.69 -3.13 114.58 115.92 2wdl h GLU 6 Ca -0.48 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 2wdl h GLU 6 Cb 1.22 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2wdl h GLU 6 CO 0.58 1.02 -0.15 0.82 -1.00 0.00 0.00 179.01 180.28 2wdl h ILE 7 N -0.93 0.00 0.06 3.13 5.03 -1.95 -3.40 117.51 119.45 2wdl h ILE 7 Ca -0.17 -0.50 -0.00 0.00 -0.12 0.00 0.00 64.86 64.06 2wdl h ILE 7 Cb 1.20 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.99 2wdl h ILE 7 CO -0.08 0.00 -0.03 0.77 -0.68 0.00 0.00 178.15 178.13 2wdl h SER 8 N -0.91 -0.06 0.00 1.72 4.64 -1.96 -3.48 113.55 113.50 2wdl h SER 8 Ca -0.04 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 2wdl h SER 8 Cb 0.31 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2wdl h SER 8 CO 0.07 0.49 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 2wdl n GLY 9 N 0.44 0.82 3.69 -0.77 0.00 -1.18 -5.00 105.19 103.17 2wdl n GLY 9 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2wdl n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdl s LYS 10 N -0.81 4.17 0.43 1.61 1.02 -1.26 -4.56 119.74 120.33 2wdl s LYS 10 Ca 0.00 2.46 0.07 0.00 0.02 0.00 0.00 55.97 58.51 2wdl s LYS 10 Cb 0.00 -3.60 -0.05 0.00 -0.52 0.00 0.00 37.83 33.66 2wdl s LYS 10 CO 0.00 -0.79 0.12 -0.98 -0.92 0.00 0.00 175.35 172.79 2wdl s ARG 11 N 2.69 2.14 0.37 1.68 1.70 -1.26 -1.32 118.95 124.95 2wdl s ARG 11 Ca 0.77 -1.98 -0.28 0.00 -0.47 0.00 0.00 55.73 53.78 2wdl s ARG 11 Cb -0.43 -1.85 -0.10 0.00 -0.57 0.00 0.00 34.95 32.00 2wdl s ARG 11 CO 0.34 -0.14 1.37 -1.25 -1.08 0.00 0.00 175.30 174.55 2wdl s PRO 12 N -3.86 4.15 0.33 3.89 0.04 -1.26 -4.65 135.00 133.65 2wdl s PRO 12 Ca 0.36 2.33 0.08 0.00 0.04 0.00 0.00 61.00 63.82 2wdl s PRO 12 Cb 0.05 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 2wdl s PRO 12 CO 0.20 -0.40 0.15 0.96 0.04 0.00 0.00 177.00 177.94 2wdl s ILE 13 N -1.16 3.14 -0.09 0.56 -4.36 0.73 -4.90 121.20 115.12 2wdl s ILE 13 Ca 0.53 -1.67 -0.07 0.00 -0.26 0.00 0.00 60.65 59.18 2wdl s ILE 13 Cb -0.42 -3.00 -0.04 0.00 1.25 0.00 0.00 42.46 40.25 2wdl s ILE 13 CO 0.56 -0.20 0.18 -0.69 0.24 0.00 0.00 174.94 175.02 2wdl s VAL 14 N -2.40 5.45 0.26 8.37 1.01 -1.26 0.29 120.40 132.12 2wdl s VAL 14 Ca 0.37 0.20 -0.08 0.00 0.00 0.00 0.00 61.98 62.47 2wdl s VAL 14 Cb -0.03 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 2wdl s VAL 14 CO 0.23 0.56 0.41 0.00 0.00 0.00 0.00 175.10 176.30 2wdl s ALA 15 N -1.10 0.25 0.50 5.51 0.00 0.13 -4.86 121.76 122.19 2wdl s ALA 15 Ca 0.18 -1.17 0.08 0.00 0.00 0.00 0.00 51.96 51.05 2wdl s ALA 15 Cb -0.13 1.15 0.04 0.00 0.00 0.00 0.00 23.12 24.18 2wdl s ALA 15 CO 0.08 -0.79 0.59 -0.80 0.00 0.00 0.00 175.76 174.83 2wdl s ASN 16 N -3.09 5.15 -0.51 0.00 0.01 -1.26 -0.75 114.94 114.48 2wdl s ASN 16 Ca 0.27 -0.79 0.07 0.00 -0.71 0.00 0.00 52.86 51.70 2wdl s ASN 16 Cb 0.01 -0.09 0.26 0.00 0.41 0.00 0.00 41.25 41.84 2wdl s ASN 16 CO 0.12 -1.02 0.66 -0.24 -1.51 0.00 0.00 177.10 175.11 2wdl n SER 17 N -1.93 2.10 -4.56 -1.22 2.88 0.19 -4.86 113.62 106.22 2wdl n SER 17 Ca 0.08 -3.11 -0.39 0.00 -1.33 0.00 0.00 58.87 54.12 2wdl n SER 17 Cb 0.61 -0.65 -0.03 0.00 -0.75 0.00 0.00 64.21 63.40 2wdl n SER 17 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2wdl s ILE 18 N -2.05 3.41 -0.32 2.46 1.01 -1.26 -2.83 121.20 121.62 2wdl s ILE 18 Ca 0.38 0.29 -0.27 0.00 0.00 0.00 0.00 60.65 61.06 2wdl s ILE 18 Cb 0.18 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.75 2wdl s ILE 18 CO -0.07 -0.82 0.98 -1.10 0.00 0.00 0.00 174.94 173.93 2wdl s GLN 19 N 6.67 4.02 0.33 2.79 -1.52 -0.85 -5.00 119.66 126.09 2wdl s GLN 19 Ca 0.69 0.90 0.10 0.00 -1.95 0.00 0.00 55.36 55.09 2wdl s GLN 19 Cb -0.14 -3.74 -0.06 0.00 -0.22 0.00 0.00 33.01 28.85 2wdl s GLN 19 CO 0.24 -0.84 -0.07 1.03 -0.25 0.00 0.00 175.29 175.39 2wdl s ARG 20 N 3.44 1.92 0.07 2.91 0.52 -1.26 0.15 118.95 126.70 2wdl s ARG 20 Ca 0.41 -1.80 -0.12 0.00 -0.52 0.00 0.00 55.73 53.70 2wdl s ARG 20 Cb -0.13 -1.83 0.01 0.00 0.52 0.00 0.00 34.95 33.53 2wdl s ARG 20 CO 0.15 0.19 0.26 1.03 0.02 0.00 0.00 175.30 176.94 2wdl s ARG 21 N -3.64 0.83 0.00 3.54 0.52 -0.63 -4.81 118.95 114.77 2wdl s ARG 21 Ca 0.33 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 2wdl s ARG 21 Cb -0.00 0.35 0.00 0.00 0.52 0.00 0.00 34.95 35.82 2wdl s ARG 21 CO 0.17 -0.27 0.00 0.41 0.02 0.00 0.00 175.30 175.63 2wdl n GLY 22 N 0.30 3.02 3.48 -3.53 0.00 -1.26 0.28 105.19 107.48 2wdl n GLY 22 Ca -0.17 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 2wdl n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wdl s LYS 23 N -3.79 3.35 -0.00 1.61 2.20 -1.22 -4.77 119.74 117.12 2wdl s LYS 23 Ca 0.00 -1.11 -0.04 0.00 -0.36 0.00 0.00 55.97 54.45 2wdl s LYS 23 Cb 0.00 -4.62 -0.02 0.00 -1.51 0.00 0.00 37.83 31.68 2wdl s LYS 23 CO 0.00 -1.90 0.12 0.00 -0.36 0.00 0.00 175.35 173.21 2wdl n ALA 24 N 7.71 -0.82 0.13 3.13 0.00 -1.26 -2.73 120.51 126.67 2wdl n ALA 24 Ca 0.12 0.06 0.15 0.00 0.00 0.00 0.00 53.44 53.77 2wdl n ALA 24 Cb 0.48 -0.19 0.70 0.00 0.00 0.00 0.00 19.45 20.44 2wdl n ALA 24 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wdl h LYS 25 N 0.33 0.00 -0.15 0.00 3.64 -1.78 -1.28 116.57 117.32 2wdl h LYS 25 Ca -0.06 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2wdl h LYS 25 Cb 0.16 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 2wdl h LYS 25 CO 0.07 0.00 -0.09 -0.09 -2.27 0.00 0.00 179.45 177.07 2wdl h ARG 26 N 0.00 -0.09 0.00 1.90 2.43 -1.94 -3.40 114.38 113.29 2wdl h ARG 26 Ca 0.13 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2wdl h ARG 26 Cb 0.54 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2wdl h ARG 26 CO -0.00 -0.06 0.00 0.39 -1.51 0.00 0.00 179.97 178.79 2wdl n GLU 27 N -5.24 0.00 0.00 0.20 1.02 -0.50 -4.96 120.64 111.16 2wdl n GLU 27 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2wdl n GLU 27 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.58 2wdl n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wdl n GLY 28 N 4.78 -1.78 0.00 0.62 0.00 -1.12 -5.02 105.19 102.67 2wdl n GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdl n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdl n GLY 29 N 0.00 -0.72 1.51 -0.02 0.00 -1.10 -4.82 105.19 100.03 2wdl n GLY 29 Ca 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 46.02 45.59 2wdl n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wdl n VAL 30 N 0.15 0.00 -1.82 1.61 0.24 -1.26 -4.28 118.33 112.97 2wdl n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wdl n VAL 30 Cb 0.00 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 31.87 2wdl n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdl n GLY 31 N -0.07 0.69 3.54 7.63 0.00 -1.26 -4.89 105.19 110.84 2wdl n GLY 31 Ca -0.05 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 2wdl n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdl n LYS 32 N 0.00 0.80 -3.66 1.61 5.02 -1.26 -3.40 118.16 117.27 2wdl n LYS 32 Ca 0.00 -3.61 -0.11 0.00 -2.02 0.00 0.00 58.31 52.58 2wdl n LYS 32 Cb 0.00 0.96 -0.11 0.00 -0.02 0.00 0.00 35.03 35.86 2wdl n LYS 32 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2wdl s LYS 33 N -3.79 0.26 -0.25 1.97 -0.14 0.14 -4.96 119.74 112.98 2wdl s LYS 33 Ca 0.00 0.90 -0.29 0.00 -1.36 0.00 0.00 55.97 55.23 2wdl s LYS 33 Cb -0.00 0.17 -0.03 0.00 -1.68 0.00 0.00 37.83 36.29 2wdl s LYS 33 CO 0.00 -0.26 1.80 0.99 -0.76 0.00 0.00 175.35 177.12 2wdl s THR 34 N 2.45 3.46 -1.67 2.17 2.01 -1.26 -1.60 115.64 121.20 2wdl s THR 34 Ca -0.01 0.50 0.27 0.00 0.31 0.00 0.00 61.69 62.76 2wdl s THR 34 Cb -0.12 -3.54 0.32 0.00 0.01 0.00 0.00 72.50 69.17 2wdl s THR 34 CO -0.11 -0.29 1.67 1.07 -0.69 0.00 0.00 174.62 176.27 2wdl n THR 35 N 6.98 0.00 0.00 -0.82 5.66 0.40 -4.96 114.28 121.54 2wdl n THR 35 Ca 0.22 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 2wdl n THR 35 Cb 0.46 0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.44 2wdl n THR 35 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wdl n GLY 36 N 1.33 0.28 3.57 1.09 0.00 -1.13 -4.99 105.19 105.34 2wdl n GLY 36 Ca 0.12 -0.94 -0.00 0.00 0.00 0.00 0.00 46.02 45.21 2wdl n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdl s ILE 37 N -2.00 -0.80 0.02 -0.61 1.01 -1.26 -2.01 121.20 115.55 2wdl s ILE 37 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 60.65 60.72 2wdl s ILE 37 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 2wdl s ILE 37 CO 0.00 0.00 -0.20 -0.55 0.00 0.00 0.00 174.94 174.19 2wdl s SER 38 N 2.70 2.37 0.78 3.58 0.15 -1.13 -4.89 113.70 117.27 2wdl s SER 38 Ca -0.05 -0.46 -0.11 0.00 0.70 0.00 0.00 55.95 56.03 2wdl s SER 38 Cb -0.10 -0.22 0.06 0.00 -1.71 0.00 0.00 66.02 64.06 2wdl s SER 38 CO -0.18 0.18 1.09 -0.75 1.20 0.00 0.00 173.24 174.78 2wdl s LYS 39 N -0.94 2.20 0.00 5.44 2.47 -1.26 0.55 119.74 128.20 2wdl s LYS 39 Ca 0.07 1.19 0.00 0.00 -1.56 0.00 0.00 55.97 55.67 2wdl s LYS 39 Cb -0.08 -1.89 0.00 0.00 -1.46 0.00 0.00 37.83 34.40 2wdl s LYS 39 CO 0.01 -1.69 0.00 2.89 0.16 0.00 0.00 175.35 176.72 2wdl n ARG 40 N -3.54 0.00 -3.84 4.03 -4.01 0.07 -4.76 116.66 104.61 2wdl n ARG 40 Ca 0.09 0.00 -0.35 0.00 -1.04 0.00 0.00 57.85 56.55 2wdl n ARG 40 Cb 0.53 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.89 2wdl n ARG 40 CO 0.00 0.00 0.00 -0.98 -3.04 0.00 0.00 177.63 173.61 2wdl s ARG 41 N -1.59 3.50 -0.26 2.89 1.70 -1.26 0.19 118.95 124.12 2wdl s ARG 41 Ca 0.00 -0.14 -0.10 0.00 -0.47 0.00 0.00 55.73 55.01 2wdl s ARG 41 Cb 0.00 -3.14 -0.05 0.00 -0.57 0.00 0.00 34.95 31.20 2wdl s ARG 41 CO 0.00 0.71 0.17 -0.65 -1.08 0.00 0.00 175.30 174.45 2wdl s GLN 42 N -1.49 3.95 0.06 3.89 -0.21 0.15 -4.90 119.66 121.10 2wdl s GLN 42 Ca 0.22 -0.32 -0.14 0.00 0.02 0.00 0.00 55.36 55.14 2wdl s GLN 42 Cb -0.13 -3.58 -0.06 0.00 1.00 0.00 0.00 33.01 30.24 2wdl s GLN 42 CO 0.12 -0.11 0.46 0.71 -2.12 0.00 0.00 175.29 174.35 2wdl s TYR 43 N 1.52 3.68 -0.11 0.91 4.12 -1.26 -0.19 117.35 126.02 2wdl s TYR 43 Ca 0.07 1.00 -0.30 0.00 0.02 0.00 0.00 57.07 57.87 2wdl s TYR 43 Cb -0.15 -2.31 -0.02 0.00 -1.52 0.00 0.00 41.96 37.96 2wdl s TYR 43 CO 0.08 0.57 1.23 -2.14 0.02 0.00 0.00 175.55 175.31 2wdl s PRO 44 N -1.45 4.29 -0.85 -1.71 0.02 -1.26 -4.93 135.00 129.12 2wdl s PRO 44 Ca 0.29 1.66 -0.25 0.00 0.02 0.00 0.00 61.00 62.72 2wdl s PRO 44 Cb -0.16 -3.66 -0.10 0.00 0.02 0.00 0.00 34.50 30.60 2wdl s PRO 44 CO 0.16 -0.58 2.20 1.21 -0.33 0.00 0.00 177.00 179.67 2wdl s ASN 45 N 1.72 4.43 0.11 2.53 3.04 -1.26 -4.87 114.94 120.64 2wdl s ASN 45 Ca 0.55 -0.29 0.10 0.00 0.04 0.00 0.00 52.86 53.26 2wdl s ASN 45 Cb -0.23 -2.56 -0.04 0.00 -1.54 0.00 0.00 41.25 36.89 2wdl s ASN 45 CO 0.18 -3.40 -0.24 -1.48 -3.04 0.00 0.00 177.10 169.11 2wdl s LEU 46 N 12.78 2.41 0.38 3.21 -0.00 -1.26 0.63 118.68 136.84 2wdl s LEU 46 Ca 0.83 -0.67 0.05 0.00 -0.00 0.00 0.00 54.13 54.33 2wdl s LEU 46 Cb -0.10 -1.32 -0.03 0.00 -0.00 0.00 0.00 46.19 44.74 2wdl s LEU 46 CO 0.04 0.19 0.18 -1.10 -0.00 0.00 0.00 176.35 175.66 2wdl s GLN 47 N -1.96 1.85 0.11 1.48 -1.52 -0.52 -4.87 119.66 114.23 2wdl s GLN 47 Ca 0.15 -2.11 -0.09 0.00 -1.95 0.00 0.00 55.36 51.36 2wdl s GLN 47 Cb -0.10 -0.28 -0.06 0.00 -0.22 0.00 0.00 33.01 32.34 2wdl s GLN 47 CO 0.07 -0.53 0.41 0.15 -0.25 0.00 0.00 175.29 175.13 2wdl s LYS 48 N -3.64 3.74 -0.43 2.91 3.01 -1.25 -2.27 119.74 121.80 2wdl s LYS 48 Ca 0.29 0.13 0.02 0.00 -1.01 0.00 0.00 55.97 55.40 2wdl s LYS 48 Cb 0.03 -2.93 0.13 0.00 -1.01 0.00 0.00 37.83 34.04 2wdl s LYS 48 CO 0.19 0.52 0.22 0.08 0.51 0.00 0.00 175.35 176.86 2wdl s VAL 49 N -1.49 1.44 0.15 3.17 1.01 0.53 -4.88 120.40 120.33 2wdl s VAL 49 Ca 0.36 -2.48 -0.30 0.00 0.00 0.00 0.00 61.98 59.56 2wdl s VAL 49 Cb -0.13 -2.02 -0.07 0.00 0.00 0.00 0.00 36.38 34.16 2wdl s VAL 49 CO 0.20 -0.86 1.14 -0.13 0.00 0.00 0.00 175.10 175.44 2wdl s ARG 50 N 0.46 4.54 0.03 2.72 0.52 -1.26 -1.35 118.95 124.60 2wdl s ARG 50 Ca 0.17 1.75 -0.12 0.00 -0.52 0.00 0.00 55.73 57.01 2wdl s ARG 50 Cb -0.24 -3.29 0.01 0.00 0.52 0.00 0.00 34.95 31.96 2wdl s ARG 50 CO -0.02 -0.03 0.26 0.54 0.02 0.00 0.00 175.30 176.07 2wdl s VAL 51 N 0.10 0.09 0.00 3.52 0.11 -0.62 -4.98 120.40 118.61 2wdl s VAL 51 Ca 0.52 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 2wdl s VAL 51 Cb -0.30 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 33.69 2wdl s VAL 51 CO 0.34 -0.40 0.60 0.54 -3.33 0.00 0.00 175.10 172.85 2wdl n ARG 52 N 0.75 0.00 -2.97 1.54 5.12 -1.26 -3.60 116.66 116.24 2wdl n ARG 52 Ca -0.19 0.16 -0.01 0.00 -1.93 0.00 0.00 57.85 55.87 2wdl n ARG 52 Cb 0.59 -1.12 -0.01 0.00 -1.16 0.00 0.00 32.46 30.76 2wdl n ARG 52 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2wdl n VAL 53 N -0.98 -3.95 0.00 1.55 0.31 -1.26 -4.03 118.33 109.97 2wdl n VAL 53 Ca 0.00 0.69 0.00 0.00 -0.01 0.00 0.00 64.34 65.02 2wdl n VAL 53 Cb 0.00 -3.51 0.00 0.00 -0.91 0.00 0.00 33.84 29.42 2wdl n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdl n ALA 54 N 2.32 0.00 0.61 3.52 0.00 -1.26 -3.34 120.51 122.36 2wdl n ALA 54 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.40 2wdl n ALA 54 Cb 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.57 2wdl n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdl n GLY 55 N 0.00 -0.19 0.54 0.00 0.00 -1.26 -5.02 105.19 99.26 2wdl n GLY 55 Ca 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.61 2wdl n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wdl n GLN 56 N -0.97 0.64 -0.00 1.61 1.13 -1.21 -5.06 117.38 113.52 2wdl n GLN 56 Ca 0.03 -0.39 0.05 0.00 -1.94 0.00 0.00 57.00 54.75 2wdl n GLN 56 Cb 0.23 -0.08 -0.06 0.00 0.11 0.00 0.00 30.24 30.44 2wdl n GLN 56 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2wdl n GLU 57 N -1.23 2.77 0.00 -1.09 2.13 -1.26 -4.47 120.64 117.49 2wdl n GLU 57 Ca 0.02 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2wdl n GLU 57 Cb 0.08 -1.05 0.00 0.00 0.27 0.00 0.00 31.44 30.74 2wdl n GLU 57 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 2wdl n ILE 58 N -1.40 0.00 -4.20 6.31 3.06 -1.24 -2.25 119.36 119.64 2wdl n ILE 58 Ca 0.01 0.00 -0.27 0.00 -2.50 0.00 0.00 62.75 59.99 2wdl n ILE 58 Cb 0.19 0.00 -0.08 0.00 0.54 0.00 0.00 39.64 40.29 2wdl n ILE 58 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2wdl s THR 59 N 0.00 3.76 -0.04 9.51 -4.23 -1.26 -1.59 115.64 121.79 2wdl s THR 59 Ca 0.00 -1.38 0.04 0.00 -1.18 0.00 0.00 61.69 59.17 2wdl s THR 59 Cb 0.00 -2.88 -0.00 0.00 1.34 0.00 0.00 72.50 70.96 2wdl s THR 59 CO 0.00 -0.09 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.48 2wdl s PHE 60 N -1.69 1.48 -1.14 3.99 0.08 -0.46 -4.87 117.98 115.37 2wdl s PHE 60 Ca 0.27 -0.41 -0.06 0.00 0.12 0.00 0.00 56.93 56.85 2wdl s PHE 60 Cb -0.09 -1.01 0.27 0.00 -0.57 0.00 0.00 43.02 41.61 2wdl s PHE 60 CO 0.19 -0.14 1.53 -2.13 -0.10 0.00 0.00 175.22 174.56 2wdl n ARG 61 N 3.19 4.12 -4.24 0.44 0.63 -1.26 -0.35 116.66 119.19 2wdl n ARG 61 Ca -0.18 -4.28 -0.31 0.00 -0.92 0.00 0.00 57.85 52.16 2wdl n ARG 61 Cb 0.53 -2.64 -0.09 0.00 0.45 0.00 0.00 32.46 30.72 2wdl n ARG 61 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wdl s VAL 62 N -1.68 3.90 0.01 5.15 0.11 -0.96 -1.73 120.40 125.19 2wdl s VAL 62 Ca 0.34 -0.89 -0.30 0.00 -2.93 0.00 0.00 61.98 58.19 2wdl s VAL 62 Cb 0.04 -2.79 -0.05 0.00 -1.53 0.00 0.00 36.38 32.05 2wdl s VAL 62 CO 0.06 0.23 1.20 0.00 -3.33 0.00 0.00 175.10 173.26 2wdl s ALA 63 N -1.18 3.43 0.26 1.54 0.00 -1.26 -1.43 121.76 123.11 2wdl s ALA 63 Ca 0.22 0.75 0.10 0.00 0.00 0.00 0.00 51.96 53.03 2wdl s ALA 63 Cb -0.11 -3.48 0.82 0.00 0.00 0.00 0.00 23.12 20.35 2wdl s ALA 63 CO 0.14 -0.58 1.16 0.00 0.00 0.00 0.00 175.76 176.48 2wdl n ALA 64 N 4.49 0.61 -0.39 0.00 0.00 0.21 0.10 120.51 125.52 2wdl n ALA 64 Ca 0.10 0.77 0.32 0.00 0.00 0.00 0.00 53.44 54.63 2wdl n ALA 64 Cb 0.46 -0.68 0.63 0.00 0.00 0.00 0.00 19.45 19.86 2wdl n ALA 64 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wdl h SER 65 N 0.00 0.24 -0.21 0.00 4.64 -1.91 0.07 113.55 116.38 2wdl h SER 65 Ca 0.55 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 2wdl h SER 65 Cb 1.37 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 2wdl h SER 65 CO -0.62 -0.02 0.00 1.41 -0.87 0.00 0.00 176.83 176.73 2wdl n HIS 66 N -4.49 0.40 -0.29 4.77 -0.00 0.11 -4.75 115.22 110.98 2wdl n HIS 66 Ca 0.30 -0.63 0.08 0.00 -0.00 0.00 0.00 57.72 57.48 2wdl n HIS 66 Cb 1.22 -0.10 0.20 0.00 -0.00 0.00 0.00 29.99 31.31 2wdl n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 2wdl h ILE 67 N 1.27 0.23 -0.07 1.59 2.04 -0.88 -1.78 117.51 119.93 2wdl h ILE 67 Ca 0.00 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.87 2wdl h ILE 67 Cb 0.85 0.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 2wdl h ILE 67 CO 0.05 0.02 -0.37 1.55 0.00 0.00 0.00 178.15 179.39 2wdl h PRO 68 N 0.08 -0.47 -0.44 2.37 0.13 -1.85 -2.00 132.00 129.82 2wdl h PRO 68 Ca 0.48 0.03 0.13 0.00 -0.87 0.00 0.00 66.00 65.77 2wdl h PRO 68 Cb 0.89 0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 2wdl h PRO 68 CO -0.75 -0.31 1.00 1.17 -0.23 0.00 0.00 178.00 178.88 2wdl n LYS 69 N -5.43 0.02 0.01 0.86 3.00 -0.67 0.12 118.16 116.07 2wdl n LYS 69 Ca -0.04 0.89 -0.06 0.00 -0.00 0.00 0.00 58.31 59.10 2wdl n LYS 69 Cb 0.35 -2.32 -0.04 0.00 0.00 0.00 0.00 35.03 33.01 2wdl n LYS 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2wdl h VAL 70 N 0.00 0.45 -0.92 3.15 2.07 -1.45 -2.86 116.25 116.69 2wdl h VAL 70 Ca 0.21 -1.17 0.21 0.00 0.82 0.00 0.00 66.70 66.77 2wdl h VAL 70 Cb 2.22 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 32.73 2wdl h VAL 70 CO -0.00 0.14 0.61 1.88 0.02 0.00 0.00 177.57 180.21 2wdl h TYR 71 N -1.00 0.59 -0.54 1.57 -1.99 0.85 0.37 116.97 116.81 2wdl h TYR 71 Ca -0.01 0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.66 2wdl h TYR 71 Cb 0.34 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 2wdl h TYR 71 CO 0.06 0.15 0.06 1.49 -0.00 0.00 0.00 178.16 179.91 2wdl h GLU 72 N 0.43 0.89 -0.19 4.88 4.22 -1.23 -2.56 114.58 121.02 2wdl h GLU 72 Ca 0.49 -0.23 -0.08 0.00 0.08 0.00 0.00 59.36 59.62 2wdl h GLU 72 Cb 1.18 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2wdl h GLU 72 CO -0.20 0.85 -0.20 -0.07 -2.18 0.00 0.00 179.01 177.20 2wdl h LEU 73 N 0.83 0.50 -1.18 1.64 3.38 -0.05 -2.75 115.31 117.68 2wdl h LEU 73 Ca 0.17 -0.49 0.16 0.00 0.09 0.00 0.00 57.88 57.81 2wdl h LEU 73 Cb 0.42 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 2wdl h LEU 73 CO 0.01 0.89 0.60 0.58 0.09 0.00 0.00 178.44 180.62 2wdl h VAL 74 N 0.12 0.79 0.00 1.22 2.07 -1.26 0.27 116.25 119.46 2wdl h VAL 74 Ca 0.03 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 2wdl h VAL 74 Cb 0.76 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2wdl h VAL 74 CO 0.05 0.13 -0.36 -0.08 0.02 0.00 0.00 177.57 177.33 2wdl h GLU 75 N 0.73 0.00 -0.57 1.57 4.57 -1.28 -3.10 114.58 116.50 2wdl h GLU 75 Ca 0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.68 2wdl h GLU 75 Cb 0.80 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 2wdl h GLU 75 CO -0.27 0.36 0.00 2.89 -1.18 0.00 0.00 179.01 180.81 2wdl n ARG 76 N -3.73 3.27 -0.10 1.92 1.85 0.84 -4.05 116.66 116.66 2wdl n ARG 76 Ca -0.01 -2.67 0.07 0.00 -1.00 0.00 0.00 57.85 54.24 2wdl n ARG 76 Cb 0.45 -1.69 0.12 0.00 -1.05 0.00 0.00 32.46 30.28 2wdl n ARG 76 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wdl n ALA 77 N 0.96 2.37 0.07 2.89 0.00 -0.55 -4.37 120.51 121.88 2wdl n ALA 77 Ca 0.22 -0.86 -0.13 0.00 0.00 0.00 0.00 53.44 52.68 2wdl n ALA 77 Cb 0.74 -0.51 -0.09 0.00 0.00 0.00 0.00 19.45 19.59 2wdl n ALA 77 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wdl h LYS 78 N 2.71 -0.16 -1.21 0.00 1.57 -1.70 -2.19 116.57 115.59 2wdl h LYS 78 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2wdl h LYS 78 Cb 0.68 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2wdl h LYS 78 CO 0.00 0.16 0.00 0.41 -0.57 0.00 0.00 179.45 179.45 2wdl n GLY 79 N -0.29 1.73 3.22 3.86 0.00 -1.26 -4.66 105.19 107.80 2wdl n GLY 79 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 2wdl n GLY 79 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wdl s LEU 80 N 0.00 2.30 -0.45 0.99 0.20 -0.83 -5.12 118.68 115.77 2wdl s LEU 80 Ca 0.00 -0.66 -0.12 0.00 0.69 0.00 0.00 54.13 54.05 2wdl s LEU 80 Cb 0.00 -0.66 0.08 0.00 -0.43 0.00 0.00 46.19 45.18 2wdl s LEU 80 CO 0.00 -0.03 0.33 -0.75 -0.29 0.00 0.00 176.35 175.61 2wdl s LYS 81 N -1.88 2.73 -0.13 1.98 2.20 -1.26 -4.98 119.74 118.40 2wdl s LYS 81 Ca 0.02 -1.47 0.03 0.00 -0.36 0.00 0.00 55.97 54.18 2wdl s LYS 81 Cb -0.10 -3.94 0.01 0.00 -1.51 0.00 0.00 37.83 32.30 2wdl s LYS 81 CO 0.03 -1.03 -0.21 -0.51 -0.36 0.00 0.00 175.35 173.27 2wdl s LEU 82 N 1.50 2.06 0.00 5.43 2.01 -1.26 -5.09 118.68 123.33 2wdl s LEU 82 Ca 0.04 -0.58 0.00 0.00 0.01 0.00 0.00 54.13 53.60 2wdl s LEU 82 Cb -0.24 -1.39 0.00 0.00 0.01 0.00 0.00 46.19 44.56 2wdl s LEU 82 CO 0.03 0.08 0.00 -0.62 1.01 0.00 0.00 176.35 176.85 2wdl n GLU 83 N 4.02 0.00 -2.40 1.70 4.71 -1.26 -4.75 120.64 122.66 2wdl n GLU 83 Ca -0.20 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 56.94 2wdl n GLU 83 Cb 0.52 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.94 2wdl n GLU 83 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wdl n GLY 84 N 0.00 -5.64 3.51 0.62 0.00 -1.26 -4.46 105.19 97.96 2wdl n GLY 84 Ca 0.00 0.36 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 2wdl n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdl n LEU 85 N 1.85 -0.47 -2.71 0.99 4.77 -1.26 -4.62 117.00 115.55 2wdl n LEU 85 Ca -0.07 -0.32 -0.06 0.00 -0.03 0.00 0.00 56.01 55.53 2wdl n LEU 85 Cb 0.10 -0.78 0.05 0.00 -2.33 0.00 0.00 43.42 40.46 2wdl n LEU 85 CO 0.06 -1.24 0.37 -1.54 -1.33 0.00 0.00 177.39 173.71 2wdl n SER 86 N 8.56 -2.22 -0.01 -1.43 3.41 -1.26 -4.98 113.62 115.68 2wdl n SER 86 Ca 0.65 -2.41 0.21 0.00 -0.26 0.00 0.00 58.87 57.06 2wdl n SER 86 Cb 0.13 1.28 0.71 0.00 -0.26 0.00 0.00 64.21 66.07 2wdl n SER 86 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2wdl h PRO 87 N 3.85 0.00 0.11 4.33 0.13 -1.93 -0.24 132.00 138.25 2wdl h PRO 87 Ca -0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 2wdl h PRO 87 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2wdl h PRO 87 CO 0.04 0.00 -0.05 -0.22 -0.23 0.00 0.00 178.00 177.54 2wdl h LYS 88 N 0.00 -0.14 -0.31 0.86 1.63 -1.95 -2.29 116.57 114.36 2wdl h LYS 88 Ca 0.27 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 60.17 2wdl h LYS 88 Cb 1.11 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 2wdl h LYS 88 CO -0.00 0.30 0.53 0.93 -3.45 0.00 0.00 179.45 177.75 2wdl h GLU 89 N -0.94 0.00 0.13 1.90 5.08 -1.66 -0.59 114.58 118.51 2wdl h GLU 89 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2wdl h GLU 89 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2wdl h GLU 89 CO 0.02 0.00 -0.06 0.82 -1.00 0.00 0.00 179.01 178.79 2wdl h ILE 90 N 0.00 0.00 -1.67 3.13 1.08 -1.03 -3.09 117.51 115.93 2wdl h ILE 90 Ca 0.15 -0.33 0.53 0.00 -0.39 0.00 0.00 64.86 64.81 2wdl h ILE 90 Cb 1.21 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.85 2wdl h ILE 90 CO -0.00 0.00 1.14 0.50 -0.69 0.00 0.00 178.15 179.10 2wdl h LYS 91 N -0.51 0.00 -0.09 2.37 3.64 -0.53 1.00 116.57 122.45 2wdl h LYS 91 Ca -0.02 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 2wdl h LYS 91 Cb 0.14 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2wdl h LYS 91 CO 0.03 0.00 -0.32 1.57 -2.27 0.00 0.00 179.45 178.46 2wdl h LYS 92 N 0.00 0.38 0.00 1.90 2.10 -1.43 -3.12 116.57 116.40 2wdl h LYS 92 Ca 0.92 -0.28 -0.00 0.00 -2.00 0.00 0.00 60.65 59.28 2wdl h LYS 92 Cb 3.30 0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 34.68 2wdl h LYS 92 CO -0.26 0.91 -0.01 0.93 -2.00 0.00 0.00 179.45 179.03 2wdl h GLU 93 N -0.08 0.00 -5.64 0.07 4.39 0.11 -3.05 114.58 110.38 2wdl h GLU 93 Ca -0.01 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.31 2wdl h GLU 93 Cb 0.95 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.55 2wdl h GLU 93 CO 0.07 0.01 1.10 -0.51 -1.16 0.00 0.00 179.01 178.51 2wdl s LEU 94 N -6.46 3.20 0.00 1.33 1.43 -0.91 -4.46 118.68 112.81 2wdl s LEU 94 Ca -0.04 -1.39 0.00 0.00 -1.03 0.00 0.00 54.13 51.66 2wdl s LEU 94 Cb 0.13 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.77 2wdl s LEU 94 CO 0.45 -2.67 0.00 -0.11 0.23 0.00 0.00 176.35 174.25 2wdl n LEU 95 N 13.28 0.00 0.00 1.79 7.94 -1.26 -5.03 117.00 133.73 2wdl n LEU 95 Ca 0.43 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 2wdl n LEU 95 Cb 0.47 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.42 2wdl n LEU 95 CO 0.66 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 177.23