#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl n ASN 2 N 0.00 0.00 -3.12 6.12 3.02 -1.26 -2.69 115.26 117.33 2wdl n ASN 2 Ca 0.00 -0.19 -0.21 0.00 -0.03 0.00 0.00 54.58 54.15 2wdl n ASN 2 Cb 0.00 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 38.99 2wdl n ASN 2 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wdl n ARG 3 N -1.14 1.63 -0.49 3.52 5.12 -1.26 -4.92 116.66 119.12 2wdl n ARG 3 Ca 0.09 -3.82 0.40 0.00 -1.93 0.00 0.00 57.85 52.59 2wdl n ARG 3 Cb 0.08 -1.86 0.64 0.00 -1.16 0.00 0.00 32.46 30.17 2wdl n ARG 3 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wdl n GLY 4 N 0.14 -0.79 0.10 -0.13 0.00 -1.10 0.14 105.19 103.55 2wdl n GLY 4 Ca 0.27 0.65 -0.01 0.00 0.00 0.00 0.00 46.02 46.93 2wdl n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdl h ALA 5 N 1.21 0.66 -0.09 4.61 0.00 -1.91 -3.25 119.26 120.49 2wdl h ALA 5 Ca 0.80 -0.88 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 2wdl h ALA 5 Cb 2.81 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 20.87 2wdl h ALA 5 CO -0.26 0.96 -0.68 1.25 0.00 0.00 0.00 179.25 180.52 2wdl h LEU 6 N 0.00 0.45 0.31 0.00 6.46 0.76 -2.58 115.31 120.70 2wdl h LEU 6 Ca -0.16 -0.28 -0.02 0.00 -0.12 0.00 0.00 57.88 57.30 2wdl h LEU 6 Cb 1.61 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.42 2wdl h LEU 6 CO 0.05 0.99 -0.15 0.40 -0.62 0.00 0.00 178.44 179.12 2wdl h ILE 7 N 0.27 0.71 -0.42 4.05 1.08 -1.32 -2.71 117.51 119.18 2wdl h ILE 7 Ca -0.02 -0.22 0.08 0.00 -0.39 0.00 0.00 64.86 64.31 2wdl h ILE 7 Cb 1.23 0.84 -0.08 0.00 -3.07 0.00 0.00 36.82 35.75 2wdl h ILE 7 CO 0.11 0.05 -0.06 0.11 -0.69 0.00 0.00 178.15 177.67 2wdl h LYS 8 N -0.54 0.04 -0.94 2.37 1.57 -1.58 0.62 116.57 118.12 2wdl h LYS 8 Ca -0.04 -0.00 0.21 0.00 -1.87 0.00 0.00 60.65 58.94 2wdl h LYS 8 Cb 0.40 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.62 2wdl h LYS 8 CO 0.07 0.03 0.61 -0.07 -0.57 0.00 0.00 179.45 179.52 2wdl h LEU 9 N 0.04 0.48 -0.16 2.94 3.38 -1.37 -0.42 115.31 120.20 2wdl h LEU 9 Ca 0.21 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2wdl h LEU 9 Cb 0.31 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2wdl h LEU 9 CO -0.40 0.18 -0.06 0.58 0.09 0.00 0.00 178.44 178.83 2wdl h VAL 10 N 0.48 1.30 -0.90 1.22 2.07 -0.58 -2.94 116.25 116.90 2wdl h VAL 10 Ca 0.50 -1.07 0.21 0.00 0.82 0.00 0.00 66.70 67.16 2wdl h VAL 10 Cb 1.15 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 32.53 2wdl h VAL 10 CO -0.22 0.32 0.60 -0.33 0.02 0.00 0.00 177.57 177.95 2wdl h GLU 11 N 0.02 0.36 -5.72 1.57 3.07 -0.25 -3.31 114.58 110.32 2wdl h GLU 11 Ca 0.04 -0.02 -0.31 0.00 -0.50 0.00 0.00 59.36 58.56 2wdl h GLU 11 Cb 0.52 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 28.30 2wdl h GLU 11 CO 0.02 0.24 0.81 -1.12 -1.40 0.00 0.00 179.01 177.55 2wdl s SER 12 N -5.63 5.22 -0.19 1.42 0.01 -0.84 -4.67 113.70 109.02 2wdl s SER 12 Ca -0.08 -0.80 0.14 0.00 1.31 0.00 0.00 55.95 56.52 2wdl s SER 12 Cb 0.23 -2.56 0.39 0.00 0.21 0.00 0.00 66.02 64.29 2wdl s SER 12 CO 0.78 -2.69 1.24 -1.14 0.41 0.00 0.00 173.24 171.84 2wdl n ARG 13 N 8.81 1.61 -1.95 12.44 3.00 -1.25 -4.57 116.66 134.76 2wdl n ARG 13 Ca 0.40 -2.99 -0.15 0.00 -0.00 0.00 0.00 57.85 55.11 2wdl n ARG 13 Cb 0.47 -1.62 0.05 0.00 0.00 0.00 0.00 32.46 31.36 2wdl n ARG 13 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2wdl n TYR 14 N -1.19 2.03 -2.97 -0.14 4.02 -1.26 -5.06 117.16 112.58 2wdl n TYR 14 Ca 0.20 -2.05 -0.30 0.00 -0.01 0.00 0.00 57.90 55.74 2wdl n TYR 14 Cb 0.73 -0.30 -0.04 0.00 -0.02 0.00 0.00 39.34 39.71 2wdl n TYR 14 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2wdl s VAL 15 N -4.12 4.81 0.56 -0.72 -7.23 -1.26 -4.79 120.40 107.65 2wdl s VAL 15 Ca 0.45 0.58 0.06 0.00 -1.81 0.00 0.00 61.98 61.25 2wdl s VAL 15 Cb 0.39 -3.71 0.06 0.00 0.56 0.00 0.00 36.38 33.68 2wdl s VAL 15 CO 0.00 -0.44 0.52 0.54 -0.31 0.00 0.00 175.10 175.41 2wdl n ARG 16 N -1.10 0.66 0.00 4.82 5.12 -1.26 -5.01 116.66 119.88 2wdl n ARG 16 Ca 0.02 -3.37 0.00 0.00 -1.93 0.00 0.00 57.85 52.57 2wdl n ARG 16 Cb 0.54 0.21 0.00 0.00 -1.16 0.00 0.00 32.46 32.05 2wdl n ARG 16 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 2wdl n THR 17 N -1.92 0.00 1.02 0.55 5.66 -1.26 -4.94 114.28 113.39 2wdl n THR 17 Ca 0.03 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.12 2wdl n THR 17 Cb 0.62 0.00 0.51 0.00 -1.55 0.00 0.00 70.33 69.91 2wdl n THR 17 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2wdl n ASP 18 N 0.00 0.00 -4.91 1.09 5.75 -1.26 -4.85 116.55 112.37 2wdl n ASP 18 Ca 0.00 -0.30 -0.33 0.00 -0.01 0.00 0.00 54.79 54.15 2wdl n ASP 18 Cb 0.00 -0.13 -0.05 0.00 -1.03 0.00 0.00 41.12 39.91 2wdl n ASP 18 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2wdl s LEU 19 N -2.26 4.36 0.72 -2.12 1.43 -1.26 -4.94 118.68 114.61 2wdl s LEU 19 Ca 0.23 0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 53.55 2wdl s LEU 19 Cb 0.12 -2.73 0.03 0.00 0.03 0.00 0.00 46.19 43.65 2wdl s LEU 19 CO 0.24 0.23 1.12 -2.84 0.23 0.00 0.00 176.35 175.33 2wdl s PRO 20 N -2.10 2.41 -0.46 1.29 0.02 -1.26 -5.00 135.00 129.90 2wdl s PRO 20 Ca 0.30 1.37 -0.18 0.00 0.02 0.00 0.00 61.00 62.51 2wdl s PRO 20 Cb -0.13 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 32.53 2wdl s PRO 20 CO 0.21 -1.55 0.51 -2.00 -0.33 0.00 0.00 177.00 173.84 2wdl s GLU 21 N -4.38 3.09 0.28 5.54 2.12 -1.26 -5.03 118.70 119.05 2wdl s GLU 21 Ca 0.66 -0.91 0.09 0.00 0.36 0.00 0.00 54.97 55.17 2wdl s GLU 21 Cb -0.21 -4.05 -0.05 0.00 0.26 0.00 0.00 34.13 30.08 2wdl s GLU 21 CO 0.48 -1.03 -0.14 -0.59 -0.54 0.00 0.00 175.26 173.44 2wdl s PHE 22 N 2.24 2.11 -0.04 5.30 -0.12 -1.26 -5.15 117.98 121.06 2wdl s PHE 22 Ca 0.12 -0.49 -0.30 0.00 -0.05 0.00 0.00 56.93 56.21 2wdl s PHE 22 Cb -0.19 -1.05 0.08 0.00 -0.63 0.00 0.00 43.02 41.23 2wdl s PHE 22 CO 0.12 0.52 0.74 -0.98 -0.05 0.00 0.00 175.22 175.57 2wdl s ARG 23 N -3.60 0.99 0.00 1.99 1.70 -1.26 -5.00 118.95 113.76 2wdl s ARG 23 Ca 0.29 0.12 0.00 0.00 -0.47 0.00 0.00 55.73 55.66 2wdl s ARG 23 Cb -0.01 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.84 2wdl s ARG 23 CO 0.13 -0.33 0.00 -2.30 -1.08 0.00 0.00 175.30 171.71 2wdl n PRO 24 N 0.65 0.00 0.00 3.89 -0.02 -1.26 -4.37 135.00 133.90 2wdl n PRO 24 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2wdl n PRO 24 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.06 2wdl n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdl n GLY 25 N 0.00 1.20 2.65 -1.23 0.00 -1.26 -4.63 105.19 101.92 2wdl n GLY 25 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2wdl n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wdl s ASP 26 N 0.12 1.84 0.00 1.61 3.68 -1.25 -2.68 116.67 119.99 2wdl s ASP 26 Ca 0.00 -1.78 0.00 0.00 2.13 0.00 0.00 52.55 52.90 2wdl s ASP 26 Cb 0.00 0.21 0.00 0.00 -1.45 0.00 0.00 42.92 41.68 2wdl s ASP 26 CO 0.00 -0.28 0.00 1.07 0.13 0.00 0.00 175.17 176.09 2wdl n THR 27 N 4.20 0.00 0.00 1.71 5.66 -1.24 -2.23 114.28 122.39 2wdl n THR 27 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 2wdl n THR 27 Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 2wdl n THR 27 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2wdl n VAL 28 N 0.00 0.00 0.00 1.08 0.31 -1.24 -1.06 118.33 117.42 2wdl n VAL 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wdl n VAL 28 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wdl n VAL 28 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wdl n ARG 29 N 1.98 0.00 0.00 5.55 3.00 -0.18 -4.20 116.66 122.81 2wdl n ARG 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2wdl n ARG 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2wdl n ARG 29 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2wdl n VAL 30 N -1.12 0.00 0.00 1.55 0.24 -1.26 -4.36 118.33 113.39 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 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2wdl n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2wdl n SER 31 N 0.00 1.91 0.00 -1.34 3.41 0.32 -4.48 113.62 113.44 2wdl n SER 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wdl n SER 31 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2wdl n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wdl n TYR 32 N 0.00 -1.58 -1.65 7.33 0.18 -1.26 -3.80 117.16 116.38 2wdl n TYR 32 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2wdl n TYR 32 Cb 0.00 0.46 0.00 0.00 -0.38 0.00 0.00 39.34 39.42 2wdl n TYR 32 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 2wdl n LYS 33 N -2.42 -1.35 -3.78 -3.48 4.76 -1.26 -3.99 118.16 106.64 2wdl n LYS 33 Ca 0.00 0.95 -0.37 0.00 -2.87 0.00 0.00 58.31 56.02 2wdl n LYS 33 Cb 0.00 -1.41 -0.13 0.00 -1.84 0.00 0.00 35.03 31.65 2wdl n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wdl s VAL 34 N -0.12 3.86 0.00 -0.18 1.01 -1.26 -3.15 120.40 120.56 2wdl s VAL 34 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2wdl s VAL 34 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.37 2wdl s VAL 34 CO 0.00 0.07 0.00 2.29 0.00 0.00 0.00 175.10 177.46 2wdl n LYS 35 N 4.84 0.00 -1.49 2.72 2.85 -1.22 -4.99 118.16 120.87 2wdl n LYS 35 Ca -0.14 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.09 2wdl n LYS 35 Cb 0.48 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.85 2wdl n LYS 35 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2wdl n GLU 36 N 0.00 -1.59 -0.79 -1.58 2.13 -1.26 0.12 120.64 117.66 2wdl n GLU 36 Ca 0.00 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.93 2wdl n GLU 36 Cb 0.00 -4.29 0.00 0.00 0.27 0.00 0.00 31.44 27.42 2wdl n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wdl n GLY 37 N -0.19 0.56 0.00 8.31 0.00 -1.26 -4.91 105.19 107.70 2wdl n GLY 37 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2wdl n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wdl n ASN 38 N -0.02 0.04 -3.14 1.61 6.94 0.32 -5.10 115.26 115.91 2wdl n ASN 38 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 54.58 54.35 2wdl n ASN 38 Cb 0.01 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.39 2wdl n ASN 38 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2wdl n ARG 39 N 0.00 1.55 0.00 -3.83 1.74 -1.26 -3.44 116.66 111.42 2wdl n ARG 39 Ca 0.00 -3.77 0.00 0.00 -0.77 0.00 0.00 57.85 53.31 2wdl n ARG 39 Cb 0.00 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.62 2wdl n ARG 39 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2wdl n THR 40 N 0.25 0.00 -3.40 0.55 -2.24 -1.19 -4.98 114.28 103.27 2wdl n THR 40 Ca 0.26 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.86 2wdl n THR 40 Cb 0.58 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.87 2wdl n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wdl n ARG 41 N 0.00 -3.45 -1.53 -0.78 0.00 -1.26 -4.07 116.66 105.56 2wdl n ARG 41 Ca 0.00 0.78 -0.36 0.00 -0.00 0.00 0.00 57.85 58.27 2wdl n ARG 41 Cb 0.00 -5.54 -0.07 0.00 0.00 0.00 0.00 32.46 26.84 2wdl n ARG 41 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2wdl n ILE 42 N -3.69 -0.06 -1.92 5.15 -6.64 -1.26 -4.39 119.36 106.56 2wdl n ILE 42 Ca -0.15 -0.54 -0.30 0.00 -1.77 0.00 0.00 62.75 59.99 2wdl n ILE 42 Cb 0.63 -2.00 0.04 0.00 -1.44 0.00 0.00 39.64 36.88 2wdl n ILE 42 CO 0.00 0.00 0.00 -1.58 -1.77 0.00 0.00 176.55 173.20 2wdl s GLN 43 N 8.51 2.93 -0.03 6.28 0.74 -1.26 -4.75 119.66 132.08 2wdl s GLN 43 Ca 1.10 0.45 0.07 0.00 0.05 0.00 0.00 55.36 57.04 2wdl s GLN 43 Cb -0.52 -2.05 -0.02 0.00 1.10 0.00 0.00 33.01 31.53 2wdl s GLN 43 CO 0.33 -0.97 -0.25 -0.51 -0.55 0.00 0.00 175.29 173.34 2wdl s ASP 44 N -4.34 2.99 -0.27 6.67 1.11 -1.26 -0.52 116.67 121.05 2wdl s ASP 44 Ca 0.58 -0.48 0.03 0.00 0.18 0.00 0.00 52.55 52.85 2wdl s ASP 44 Cb -0.11 -0.53 0.07 0.00 1.07 0.00 0.00 42.92 43.41 2wdl s ASP 44 CO 0.51 0.28 -0.07 0.12 1.18 0.00 0.00 175.17 177.20 2wdl s PHE 45 N -0.41 3.10 -0.50 4.23 5.36 -1.26 -4.89 117.98 123.61 2wdl s PHE 45 Ca 0.04 -2.28 -0.16 0.00 -0.96 0.00 0.00 56.93 53.57 2wdl s PHE 45 Cb -0.11 -2.00 0.10 0.00 -0.34 0.00 0.00 43.02 40.67 2wdl s PHE 45 CO 0.01 -0.87 0.45 -2.00 -1.46 0.00 0.00 175.22 171.35 2wdl s GLU 46 N 1.15 2.99 0.15 10.12 2.12 -1.26 -1.01 118.70 132.96 2wdl s GLU 46 Ca -0.05 -1.50 -0.09 0.00 0.36 0.00 0.00 54.97 53.70 2wdl s GLU 46 Cb -0.20 -4.20 -0.01 0.00 0.26 0.00 0.00 34.13 29.98 2wdl s GLU 46 CO -0.06 -1.16 0.26 0.20 -0.54 0.00 0.00 175.26 173.96 2wdl s GLY 47 N 3.04 0.43 0.47 -1.50 0.00 -1.26 -4.62 107.32 103.87 2wdl s GLY 47 Ca 0.04 -0.86 -0.22 0.00 0.00 0.00 0.00 44.72 43.69 2wdl s GLY 47 CO 0.05 -0.85 1.09 -0.42 0.00 0.00 0.00 173.10 172.97 2wdl s ILE 48 N -3.95 3.49 -0.44 0.90 1.09 -1.15 -3.59 121.20 117.54 2wdl s ILE 48 Ca 0.15 1.02 -0.20 0.00 -1.10 0.00 0.00 60.65 60.51 2wdl s ILE 48 Cb 0.04 -3.46 0.03 0.00 -1.06 0.00 0.00 42.46 38.00 2wdl s ILE 48 CO -0.02 -0.11 0.63 0.54 -0.10 0.00 0.00 174.94 175.88 2wdl s VAL 49 N -1.76 4.84 -0.06 2.92 0.11 -1.09 -0.32 120.40 125.04 2wdl s VAL 49 Ca 0.65 0.05 0.12 0.00 -2.93 0.00 0.00 61.98 59.87 2wdl s VAL 49 Cb -0.22 -4.21 -0.04 0.00 -1.53 0.00 0.00 36.38 30.38 2wdl s VAL 49 CO 0.26 -0.61 1.37 0.40 -3.33 0.00 0.00 175.10 173.20 2wdl h ILE 50 N 5.87 1.17 -1.39 7.04 5.03 -0.75 -3.36 117.51 131.12 2wdl h ILE 50 Ca -0.26 -2.66 0.13 0.00 -0.12 0.00 0.00 64.86 61.95 2wdl h ILE 50 Cb 1.10 2.58 -0.26 0.00 -3.03 0.00 0.00 36.82 37.20 2wdl h ILE 50 CO 0.89 0.67 0.66 -0.60 -0.68 0.00 0.00 178.15 179.09 2wdl s ARG 51 N -2.87 0.37 -0.26 2.37 3.52 -1.10 -2.75 118.95 118.23 2wdl s ARG 51 Ca 0.03 0.22 -0.02 0.00 -0.13 0.00 0.00 55.73 55.83 2wdl s ARG 51 Cb 0.08 0.18 0.08 0.00 -1.56 0.00 0.00 34.95 33.74 2wdl s ARG 51 CO 0.77 -0.09 0.07 0.42 -0.81 0.00 0.00 175.30 175.67 2wdl s ILE 52 N -0.56 0.67 -0.35 4.11 1.01 -1.26 0.40 121.20 125.22 2wdl s ILE 52 Ca 0.03 -1.01 -0.15 0.00 0.00 0.00 0.00 60.65 59.52 2wdl s ILE 52 Cb -0.02 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 2wdl s ILE 52 CO -0.05 -0.49 0.36 0.00 0.00 0.00 0.00 174.94 174.76 2wdl s ARG 53 N 1.75 3.52 0.56 2.79 1.70 -0.55 -5.00 118.95 123.73 2wdl s ARG 53 Ca 0.05 -0.46 -0.07 0.00 -0.47 0.00 0.00 55.73 54.78 2wdl s ARG 53 Cb -0.17 -3.82 -0.02 0.00 -0.57 0.00 0.00 34.95 30.37 2wdl s ARG 53 CO -0.19 -0.55 0.90 1.03 -1.08 0.00 0.00 175.30 175.41 2wdl s ARG 54 N 2.01 3.33 0.00 3.89 0.52 -1.26 -2.19 118.95 125.25 2wdl s ARG 54 Ca 0.11 0.30 0.00 0.00 -0.52 0.00 0.00 55.73 55.62 2wdl s ARG 54 Cb -0.17 -2.25 0.00 0.00 0.52 0.00 0.00 34.95 33.06 2wdl s ARG 54 CO 0.12 -0.50 0.00 -1.71 0.02 0.00 0.00 175.30 173.23 2wdl n ASN 55 N -2.53 0.00 0.00 0.23 5.15 -1.26 -4.88 115.26 111.97 2wdl n ASN 55 Ca 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 2wdl n ASN 55 Cb 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 2wdl n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wdl n GLY 56 N 0.00 0.80 1.18 8.20 0.00 -1.26 -4.49 105.19 109.62 2wdl n GLY 56 Ca 0.00 0.57 -0.06 0.00 0.00 0.00 0.00 46.02 46.53 2wdl n GLY 56 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wdl n PHE 57 N 0.00 -2.96 -1.05 1.61 -0.00 -1.26 -4.49 117.46 109.30 2wdl n PHE 57 Ca 0.00 -0.60 -0.01 0.00 -0.00 0.00 0.00 57.45 56.84 2wdl n PHE 57 Cb 0.00 -0.19 -0.00 0.00 -0.00 0.00 0.00 39.48 39.29 2wdl n PHE 57 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2wdl n ASN 58 N -2.87 -0.19 -4.64 -2.13 2.04 -1.26 -4.79 115.26 101.42 2wdl n ASN 58 Ca 0.05 0.03 -0.41 0.00 -0.44 0.00 0.00 54.58 53.81 2wdl n ASN 58 Cb 0.18 -0.18 -0.05 0.00 -2.53 0.00 0.00 39.78 37.20 2wdl n ASN 58 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 2wdl s THR 59 N -0.53 4.91 0.42 5.53 -4.23 -1.26 -4.82 115.64 115.67 2wdl s THR 59 Ca 0.03 1.38 0.05 0.00 -1.18 0.00 0.00 61.69 61.97 2wdl s THR 59 Cb -0.02 -4.04 0.01 0.00 1.34 0.00 0.00 72.50 69.79 2wdl s THR 59 CO 0.03 -0.00 0.59 0.42 -0.54 0.00 0.00 174.62 175.12 2wdl s THR 60 N 2.53 3.51 -0.02 3.99 -4.23 -0.93 -4.32 115.64 116.18 2wdl s THR 60 Ca 0.32 -0.84 -0.10 0.00 -1.18 0.00 0.00 61.69 59.89 2wdl s THR 60 Cb -0.16 -3.24 0.01 0.00 1.34 0.00 0.00 72.50 70.46 2wdl s THR 60 CO 0.09 -0.12 0.21 0.72 -0.54 0.00 0.00 174.62 174.98 2wdl s PHE 61 N -2.41 -0.09 -0.04 3.99 -0.12 0.21 -1.48 117.98 118.06 2wdl s PHE 61 Ca 0.51 0.14 0.05 0.00 -0.05 0.00 0.00 56.93 57.58 2wdl s PHE 61 Cb -0.10 0.02 -0.01 0.00 -0.63 0.00 0.00 43.02 42.31 2wdl s PHE 61 CO 0.34 -0.29 -0.20 0.95 -0.05 0.00 0.00 175.22 175.97 2wdl s THR 62 N -1.10 1.64 0.09 -4.49 -4.23 0.16 -0.57 115.64 107.14 2wdl s THR 62 Ca -0.12 -0.85 0.09 0.00 -1.18 0.00 0.00 61.69 59.63 2wdl s THR 62 Cb -0.06 -1.38 -0.04 0.00 1.34 0.00 0.00 72.50 72.36 2wdl s THR 62 CO 0.02 0.46 -0.23 0.68 -0.54 0.00 0.00 174.62 175.01 2wdl s VAL 63 N -0.20 2.45 -0.12 2.29 -7.23 -0.53 -0.01 120.40 117.05 2wdl s VAL 63 Ca 0.01 -1.52 -0.05 0.00 -1.81 0.00 0.00 61.98 58.60 2wdl s VAL 63 Cb -0.11 -2.06 0.05 0.00 0.56 0.00 0.00 36.38 34.83 2wdl s VAL 63 CO 0.01 0.20 0.27 -0.60 -0.31 0.00 0.00 175.10 174.67 2wdl s ARG 64 N -1.78 0.21 0.20 4.82 3.52 0.56 0.40 118.95 126.88 2wdl s ARG 64 Ca 0.14 0.63 -0.01 0.00 -0.13 0.00 0.00 55.73 56.37 2wdl s ARG 64 Cb -0.10 -0.08 -0.04 0.00 -1.56 0.00 0.00 34.95 33.17 2wdl s ARG 64 CO 0.06 -0.20 0.11 0.21 -0.81 0.00 0.00 175.30 174.67 2wdl s LYS 65 N 1.64 1.20 -0.46 5.12 2.47 -0.21 -2.95 119.74 126.55 2wdl s LYS 65 Ca -0.06 -1.62 -0.23 0.00 -1.56 0.00 0.00 55.97 52.49 2wdl s LYS 65 Cb -0.11 0.16 0.03 0.00 -1.46 0.00 0.00 37.83 36.45 2wdl s LYS 65 CO -0.09 -0.35 0.80 0.08 0.16 0.00 0.00 175.35 175.96 2wdl s VAL 66 N -4.06 4.62 -0.62 4.02 1.01 -1.26 0.13 120.40 124.24 2wdl s VAL 66 Ca 0.36 0.41 -0.13 0.00 0.00 0.00 0.00 61.98 62.62 2wdl s VAL 66 Cb 0.07 -4.35 0.16 0.00 0.00 0.00 0.00 36.38 32.26 2wdl s VAL 66 CO 0.11 -0.77 0.55 -0.55 0.00 0.00 0.00 175.10 174.44 2wdl s SER 67 N 2.23 6.22 1.47 3.32 0.15 0.20 -4.92 113.70 122.38 2wdl s SER 67 Ca 0.30 -2.16 0.00 0.00 0.70 0.00 0.00 55.95 54.79 2wdl s SER 67 Cb -0.12 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 2wdl s SER 67 CO 0.22 -0.71 0.00 -1.22 1.20 0.00 0.00 173.24 172.73 2wdl n TYR 68 N 4.68 0.00 -0.02 3.44 0.53 -1.26 -3.02 117.16 121.50 2wdl n TYR 68 Ca -0.03 0.00 -0.22 0.00 -1.02 0.00 0.00 57.90 56.64 2wdl n TYR 68 Cb 0.42 0.00 -0.13 0.00 -1.03 0.00 0.00 39.34 38.60 2wdl n TYR 68 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 2wdl h GLY 69 N 0.00 0.22 -2.73 2.72 0.00 -2.01 -3.47 103.07 97.79 2wdl h GLY 69 Ca 0.00 -0.57 -0.50 0.00 0.00 0.00 0.00 47.33 46.25 2wdl h GLY 69 CO 0.00 0.50 0.00 0.14 0.00 0.00 0.00 176.54 177.19 2wdl s VAL 70 N -2.50 4.90 0.03 4.60 1.01 -1.17 -5.07 120.40 122.20 2wdl s VAL 70 Ca -0.24 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2wdl s VAL 70 Cb 0.06 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2wdl s VAL 70 CO 0.72 -0.46 0.13 -0.83 0.00 0.00 0.00 175.10 174.66 2wdl s GLY 71 N -3.24 2.09 0.01 4.51 0.00 -1.26 0.62 107.32 110.05 2wdl s GLY 71 Ca 0.48 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 44.34 2wdl s GLY 71 CO 0.32 -0.80 -0.08 0.14 0.00 0.00 0.00 173.10 172.67 2wdl s VAL 72 N -1.33 0.64 -0.10 1.40 1.01 0.36 -4.86 120.40 117.51 2wdl s VAL 72 Ca 0.28 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 2wdl s VAL 72 Cb -0.12 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 2wdl s VAL 72 CO 0.20 -0.00 -0.08 -1.61 0.00 0.00 0.00 175.10 173.61 2wdl s GLU 73 N -0.67 3.13 -0.09 2.72 2.02 -1.26 -1.04 118.70 123.51 2wdl s GLU 73 Ca -0.01 -0.58 0.04 0.00 0.02 0.00 0.00 54.97 54.44 2wdl s GLU 73 Cb -0.05 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.50 2wdl s GLU 73 CO 0.00 0.45 -0.21 1.03 0.02 0.00 0.00 175.26 176.55 2wdl s ARG 74 N -0.23 2.73 -0.34 1.61 1.81 0.16 -4.96 118.95 119.74 2wdl s ARG 74 Ca 0.03 -0.77 -0.12 0.00 -1.72 0.00 0.00 55.73 53.14 2wdl s ARG 74 Cb -0.13 -2.10 -0.02 0.00 -0.45 0.00 0.00 34.95 32.26 2wdl s ARG 74 CO 0.03 0.14 0.23 0.42 -0.68 0.00 0.00 175.30 175.43 2wdl s ILE 75 N 0.44 5.20 -0.16 1.52 1.01 -1.26 -1.46 121.20 126.49 2wdl s ILE 75 Ca -0.17 -0.25 -0.00 0.00 0.00 0.00 0.00 60.65 60.22 2wdl s ILE 75 Cb -0.17 -3.67 -0.00 0.00 0.01 0.00 0.00 42.46 38.62 2wdl s ILE 75 CO 0.07 -0.01 -0.14 -0.36 0.00 0.00 0.00 174.94 174.50 2wdl s PHE 76 N 1.71 2.80 -0.70 3.97 2.99 0.26 -4.97 117.98 124.04 2wdl s PHE 76 Ca 0.06 -1.01 0.16 0.00 0.00 0.00 0.00 56.93 56.14 2wdl s PHE 76 Cb -0.17 -1.90 0.73 0.00 0.00 0.00 0.00 43.02 41.67 2wdl s PHE 76 CO 0.10 -0.46 1.50 -2.30 -0.00 0.00 0.00 175.22 174.06 2wdl n PRO 77 N 4.07 0.09 -0.96 0.24 -0.02 -1.26 -0.62 135.00 136.54 2wdl n PRO 77 Ca -0.19 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2wdl n PRO 77 Cb 0.52 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 2wdl n PRO 77 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2wdl n LEU 78 N -1.87 0.30 -3.89 2.45 0.00 -1.26 -4.23 117.00 108.50 2wdl n LEU 78 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.92 2wdl n LEU 78 Cb 0.14 -0.91 -0.10 0.00 0.00 0.00 0.00 43.42 42.55 2wdl n LEU 78 CO 0.13 -0.25 -0.22 -1.00 0.00 0.00 0.00 177.39 176.05 2wdl s HIS 79 N -2.11 0.07 0.00 1.96 3.76 -1.26 -4.87 115.29 112.84 2wdl s HIS 79 Ca 0.00 -0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 2wdl s HIS 79 Cb 0.00 -0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.62 2wdl s HIS 79 CO 0.00 -0.25 0.00 0.45 -0.85 0.00 0.00 174.74 174.09 2wdl n SER 80 N 1.63 0.00 -4.43 1.40 2.88 -1.26 -4.87 113.62 108.97 2wdl n SER 80 Ca -0.22 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 56.88 2wdl n SER 80 Cb 0.56 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.98 2wdl n SER 80 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 2wdl s PRO 81 N 0.00 3.09 -0.41 -1.46 0.02 -1.26 -4.80 135.00 130.18 2wdl s PRO 81 Ca 0.00 -1.00 0.00 0.00 0.02 0.00 0.00 61.00 60.02 2wdl s PRO 81 Cb 0.00 -4.24 0.19 0.00 0.02 0.00 0.00 34.50 30.47 2wdl s PRO 81 CO 0.00 -1.72 0.87 -0.51 -0.33 0.00 0.00 177.00 175.31 2wdl s LEU 82 N 3.59 -0.93 0.00 -5.54 1.02 -1.25 -4.47 118.68 111.11 2wdl s LEU 82 Ca 0.18 -0.84 0.00 0.00 0.02 0.00 0.00 54.13 53.50 2wdl s LEU 82 Cb -0.19 1.20 0.00 0.00 0.02 0.00 0.00 46.19 47.22 2wdl s LEU 82 CO 0.09 -0.06 0.15 2.30 0.02 0.00 0.00 176.35 178.85 2wdl n ILE 83 N 3.31 0.15 -0.03 -0.59 -6.64 -1.25 -4.72 119.36 109.60 2wdl n ILE 83 Ca 0.12 -0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.10 2wdl n ILE 83 Cb 0.60 -0.59 0.00 0.00 -1.44 0.00 0.00 39.64 38.21 2wdl n ILE 83 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2wdl n GLN 84 N 0.95 -0.01 0.00 6.28 10.64 -1.26 -5.08 117.38 128.90 2wdl n GLN 84 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2wdl n GLN 84 Cb 0.07 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.45 2wdl n GLN 84 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2wdl n LYS 85 N -0.15 0.00 -0.38 2.61 4.81 -1.26 -4.61 118.16 119.17 2wdl n LYS 85 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.17 2wdl n LYS 85 Cb 0.00 0.00 0.24 0.00 0.02 0.00 0.00 35.03 35.29 2wdl n LYS 85 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 2wdl n ILE 86 N 0.00 0.00 -4.00 3.15 3.06 -1.26 -4.73 119.36 115.58 2wdl n ILE 86 Ca 0.00 -0.13 -0.09 0.00 -2.50 0.00 0.00 62.75 60.03 2wdl n ILE 86 Cb 0.00 -0.83 -0.11 0.00 0.54 0.00 0.00 39.64 39.24 2wdl n ILE 86 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 2wdl s ASP 87 N -2.56 0.31 0.00 9.51 1.47 -1.26 -4.35 116.67 119.79 2wdl s ASP 87 Ca 0.58 -0.58 0.00 0.00 1.18 0.00 0.00 52.55 53.73 2wdl s ASP 87 Cb -0.13 0.11 0.00 0.00 -0.34 0.00 0.00 42.92 42.56 2wdl s ASP 87 CO 0.53 -0.34 0.00 -0.38 0.68 0.00 0.00 175.17 175.66 2wdl n ILE 88 N 1.35 0.00 -3.74 2.11 5.41 -0.22 -4.89 119.36 119.38 2wdl n ILE 88 Ca -0.22 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.27 2wdl n ILE 88 Cb 0.56 -0.94 -0.17 0.00 -0.71 0.00 0.00 39.64 38.38 2wdl n ILE 88 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2wdl s VAL 89 N 0.00 0.42 -0.99 1.39 1.01 -0.95 -5.02 120.40 116.27 2wdl s VAL 89 Ca 0.00 -0.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.47 2wdl s VAL 89 Cb 0.00 -0.80 -0.17 0.00 0.00 0.00 0.00 36.38 35.41 2wdl s VAL 89 CO 0.00 -0.02 2.18 -1.10 0.00 0.00 0.00 175.10 176.15 2wdl s GLN 90 N 1.92 1.54 0.00 2.72 -0.21 -1.26 -3.77 119.66 120.60 2wdl s GLN 90 Ca 0.02 -0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.18 2wdl s GLN 90 Cb -0.15 -4.95 0.00 0.00 1.00 0.00 0.00 33.01 28.91 2wdl s GLN 90 CO -0.07 -4.88 0.00 0.54 -2.12 0.00 0.00 175.29 168.76 2wdl n ARG 91 N 8.43 0.44 0.00 2.91 1.74 -1.26 -3.70 116.66 125.22 2wdl n ARG 91 Ca 0.43 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 2wdl n ARG 91 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 2wdl n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdl n GLY 92 N 2.73 0.48 5.00 -0.13 0.00 -1.24 -4.26 105.19 107.77 2wdl n GLY 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdl n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wdl n ARG 93 N 0.00 0.00 -1.33 1.61 0.63 -1.26 -4.01 116.66 112.30 2wdl n ARG 93 Ca 0.00 0.00 0.15 0.00 -0.92 0.00 0.00 57.85 57.08 2wdl n ARG 93 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 2wdl n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdl n ALA 94 N 0.00 -3.48 -0.45 5.13 0.00 -1.26 -4.81 120.51 115.63 2wdl n ALA 94 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 53.44 54.23 2wdl n ALA 94 Cb 0.00 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 18.02 2wdl n ALA 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdl n ARG 95 N -4.16 1.79 -3.70 0.00 5.12 -1.26 -5.06 116.66 109.39 2wdl n ARG 95 Ca -0.07 -1.19 -0.14 0.00 -1.93 0.00 0.00 57.85 54.52 2wdl n ARG 95 Cb 0.61 -0.83 -0.08 0.00 -1.16 0.00 0.00 32.46 30.99 2wdl n ARG 95 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2wdl s ARG 96 N -0.71 0.71 0.13 5.56 1.70 -1.26 -5.06 118.95 120.02 2wdl s ARG 96 Ca 0.01 0.10 -0.19 0.00 -0.47 0.00 0.00 55.73 55.18 2wdl s ARG 96 Cb 0.01 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.68 2wdl s ARG 96 CO 0.00 -0.18 1.77 0.00 -1.08 0.00 0.00 175.30 175.80 2wdl h ALA 97 N 4.08 0.27 -3.08 7.88 0.00 -1.97 -3.37 119.26 123.08 2wdl h ALA 97 Ca -0.28 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 53.93 2wdl h ALA 97 Cb 1.17 -0.04 -0.28 0.00 0.00 0.00 0.00 17.79 18.64 2wdl h ALA 97 CO 0.36 -0.29 -0.58 0.15 0.00 0.00 0.00 179.25 178.88 2wdl s LYS 98 N -6.17 2.64 -0.80 0.00 3.01 -1.26 -4.49 119.74 112.66 2wdl s LYS 98 Ca -0.13 -1.19 0.02 0.00 -1.01 0.00 0.00 55.97 53.66 2wdl s LYS 98 Cb 0.09 -3.52 0.31 0.00 -1.01 0.00 0.00 37.83 33.70 2wdl s LYS 98 CO 0.69 -0.69 1.24 1.47 0.51 0.00 0.00 175.35 178.57 2wdl n LEU 99 N 4.84 5.47 0.13 3.17 -0.00 -1.11 -4.76 117.00 124.75 2wdl n LEU 99 Ca -0.12 -5.47 0.12 0.00 -0.00 0.00 0.00 56.01 50.54 2wdl n LEU 99 Cb 0.45 -0.88 0.48 0.00 -0.00 0.00 0.00 43.42 43.47 2wdl n LEU 99 CO 0.33 2.09 0.87 -1.22 -0.00 0.00 0.00 177.39 179.46 2wdl n TYR 100 N 0.31 0.87 0.29 1.47 4.02 -1.26 -3.41 117.16 119.45 2wdl n TYR 100 Ca 0.34 0.32 0.17 0.00 -0.01 0.00 0.00 57.90 58.72 2wdl n TYR 100 Cb 0.35 -1.02 0.92 0.00 -0.02 0.00 0.00 39.34 39.57 2wdl n TYR 100 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2wdl h PHE 101 N 0.00 0.00 -0.33 -0.72 -0.00 -1.97 -1.59 116.94 112.33 2wdl h PHE 101 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.97 57.86 2wdl h PHE 101 Cb 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.39 2wdl h PHE 101 CO 0.00 0.00 -0.25 -0.84 -0.00 0.00 0.00 178.31 177.22 2wdl h ILE 102 N 0.00 1.27 0.00 0.88 3.07 -1.81 -3.32 117.51 117.60 2wdl h ILE 102 Ca 0.00 -1.35 0.00 0.00 1.55 0.00 0.00 64.86 65.06 2wdl h ILE 102 Cb 0.21 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 38.05 2wdl h ILE 102 CO 0.00 0.44 0.00 0.54 -1.05 0.00 0.00 178.15 178.08 2wdl n ARG 103 N -4.10 0.00 -0.05 0.16 1.74 -0.60 -2.26 116.66 111.56 2wdl n ARG 103 Ca -0.00 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wdl n ARG 103 Cb 0.44 -0.42 0.00 0.00 -1.02 0.00 0.00 32.46 31.46 2wdl n ARG 103 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wdl n ASN 104 N 0.00 -0.08 -3.75 0.55 3.02 -1.26 -3.08 115.26 110.67 2wdl n ASN 104 Ca 0.00 0.21 -0.29 0.00 -0.03 0.00 0.00 54.58 54.46 2wdl n ASN 104 Cb 0.00 -0.05 -0.15 0.00 -0.61 0.00 0.00 39.78 38.97 2wdl n ASN 104 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wdl s LEU 105 N -8.35 1.99 0.41 3.41 1.43 -1.15 -5.11 118.68 111.31 2wdl s LEU 105 Ca -0.02 -1.41 0.05 0.00 -1.03 0.00 0.00 54.13 51.72 2wdl s LEU 105 Cb 0.02 -0.82 -0.06 0.00 0.03 0.00 0.00 46.19 45.37 2wdl s LEU 105 CO 0.08 -0.38 0.03 -0.94 0.23 0.00 0.00 176.35 175.38 2wdl s SER 106 N 1.66 3.49 0.00 2.29 1.04 -0.96 -4.61 113.70 116.62 2wdl s SER 106 Ca 0.06 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.04 2wdl s SER 106 Cb -0.17 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.86 2wdl s SER 106 CO -0.20 -0.60 0.00 -0.90 0.98 0.00 0.00 173.24 172.52 2wdl n ASP 107 N -0.98 0.00 -0.00 7.02 5.75 -1.26 -4.73 116.55 122.34 2wdl n ASP 107 Ca -0.07 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.64 2wdl n ASP 107 Cb 0.67 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.63 2wdl n ASP 107 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 2wdl h ARG 108 N 0.00 0.00 -0.69 0.11 2.43 -1.99 -3.30 114.38 110.94 2wdl h ARG 108 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2wdl h ARG 108 Cb 0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 2wdl h ARG 108 CO 0.00 0.49 0.45 0.93 -1.51 0.00 0.00 179.97 180.34 2wdl h GLU 109 N 0.00 0.87 -0.55 0.20 5.08 -1.92 -0.72 114.58 117.54 2wdl h GLU 109 Ca -0.24 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 2wdl h GLU 109 Cb 1.92 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.95 2wdl h GLU 109 CO 0.08 0.58 0.26 0.82 -1.00 0.00 0.00 179.01 179.75 2wdl h ILE 110 N 0.90 1.20 0.00 3.13 2.04 -1.85 0.12 117.51 123.05 2wdl h ILE 110 Ca 0.26 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2wdl h ILE 110 Cb -0.06 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2wdl h ILE 110 CO -0.06 0.23 0.00 0.54 0.00 0.00 0.00 178.15 178.86 2wdl n ARG 111 N -4.56 0.42 -0.09 2.37 1.74 -0.37 -0.99 116.66 115.18 2wdl n ARG 111 Ca 0.03 0.05 -0.11 0.00 -0.77 0.00 0.00 57.85 57.05 2wdl n ARG 111 Cb 0.12 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 29.91 2wdl n ARG 111 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wdl n ARG 112 N -1.23 0.68 0.05 5.56 1.74 -0.61 -4.20 116.66 118.65 2wdl n ARG 112 Ca 0.13 0.06 -0.03 0.00 -0.77 0.00 0.00 57.85 57.23 2wdl n ARG 112 Cb 0.17 -1.57 -0.08 0.00 -1.02 0.00 0.00 32.46 29.96 2wdl n ARG 112 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2wdl h LYS 113 N 0.00 0.00 -2.36 5.56 6.56 -0.50 -3.37 116.57 122.46 2wdl h LYS 113 Ca -0.51 0.00 -0.67 0.00 -1.06 0.00 0.00 60.65 58.41 2wdl h LYS 113 Cb 2.17 0.00 -0.37 0.00 -0.57 0.00 0.00 32.23 33.46 2wdl h LYS 113 CO 0.03 0.58 -0.08 1.28 -2.06 0.00 0.00 179.45 179.20 2wdl n LEU 114 N -3.13 5.12 0.00 2.94 4.77 -0.16 -4.53 117.00 122.02 2wdl n LEU 114 Ca -0.06 -5.48 0.00 0.00 -0.03 0.00 0.00 56.01 50.44 2wdl n LEU 114 Cb 0.89 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2wdl n LEU 114 CO 0.44 2.10 0.00 0.54 -1.33 0.00 0.00 177.39 179.14 2wdl n ARG 115 N 0.40 0.00 -3.15 3.23 5.12 -1.26 -3.65 116.66 117.35 2wdl n ARG 115 Ca 0.33 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.30 2wdl n ARG 115 Cb 0.36 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.65 2wdl n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wdl s ALA 116 N -2.34 -3.22 -0.76 7.54 0.00 -1.26 -3.97 121.76 117.75 2wdl s ALA 116 Ca 0.00 1.51 -0.22 0.00 0.00 0.00 0.00 51.96 53.25 2wdl s ALA 116 Cb 0.00 -2.44 -0.16 0.00 0.00 0.00 0.00 23.12 20.51 2wdl s ALA 116 CO 0.00 -1.45 1.92 -3.47 0.00 0.00 0.00 175.76 172.75 2wdl n ASP 117 N 5.46 2.48 -0.33 0.00 -0.08 -1.24 -4.74 116.55 118.11 2wdl n ASP 117 Ca -0.05 -2.67 0.26 0.00 -1.51 0.00 0.00 54.79 50.81 2wdl n ASP 117 Cb 0.53 -1.11 0.48 0.00 2.34 0.00 0.00 41.12 43.37 2wdl n ASP 117 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2wdl h ARG 118 N 8.00 0.05 -0.20 -0.67 3.08 -1.97 -0.95 114.38 121.72 2wdl h ARG 118 Ca 0.41 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.51 2wdl h ARG 118 Cb 0.68 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.64 2wdl h ARG 118 CO 1.95 0.03 -0.45 -0.22 -1.07 0.00 0.00 179.97 180.21 2wdl h LYS 119 N 0.05 -0.45 0.00 0.04 3.64 -1.93 1.23 116.57 119.14 2wdl h LYS 119 Ca 0.76 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 60.17 2wdl h LYS 119 Cb 1.86 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.78 2wdl h LYS 119 CO -0.79 -0.30 0.00 0.00 -2.27 0.00 0.00 179.45 176.09 2wdl h ARG 120 N -0.47 0.00 0.02 1.90 3.08 -1.49 -2.22 114.38 115.20 2wdl h ARG 120 Ca 0.08 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 2wdl h ARG 120 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2wdl h ARG 120 CO -0.45 0.00 -0.01 0.82 -1.07 0.00 0.00 179.97 179.25 2wdl h ILE 121 N 0.00 0.00 0.00 2.04 1.08 0.20 -3.32 117.51 117.51 2wdl h ILE 121 Ca 0.00 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.62 2wdl h ILE 121 Cb 0.24 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.99 2wdl h ILE 121 CO 0.00 0.00 0.11 0.47 -0.69 0.00 0.00 178.15 178.04 2wdl n ASP 122 N -4.43 0.26 -1.75 1.72 8.00 0.38 -0.44 116.55 120.28 2wdl n ASP 122 Ca -0.00 0.56 0.08 0.00 0.71 0.00 0.00 54.79 56.14 2wdl n ASP 122 Cb 0.01 -0.57 0.39 0.00 -0.02 0.00 0.00 41.12 40.92 2wdl n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wdl n GLN 123 N -1.84 4.43 -0.01 -1.24 10.64 -0.85 -3.52 117.38 125.00 2wdl n GLN 123 Ca -0.01 -3.06 -0.01 0.00 -1.83 0.00 0.00 57.00 52.09 2wdl n GLN 123 Cb 0.12 -2.12 -0.01 0.00 -0.86 0.00 0.00 30.24 27.37 2wdl n GLN 123 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2wdl n ASP 124 N 0.77 4.41 0.00 2.61 9.92 0.42 -3.41 116.55 131.26 2wdl n ASP 124 Ca 0.27 -0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.65 2wdl n ASP 124 Cb 1.08 0.37 0.74 0.00 -0.64 0.00 0.00 41.12 42.68 2wdl n ASP 124 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2wdl n ARG 125 N -2.20 0.80 -0.02 -1.24 5.12 -1.12 -0.59 116.66 117.42 2wdl n ARG 125 Ca -0.03 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.91 2wdl n ARG 125 Cb 0.54 -1.49 -0.07 0.00 -1.16 0.00 0.00 32.46 30.29 2wdl n ARG 125 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wdl n ALA 126 N -0.99 2.15 1.74 7.54 0.00 -1.23 -4.29 120.51 125.43 2wdl n ALA 126 Ca 0.19 -0.34 0.03 0.00 0.00 0.00 0.00 53.44 53.32 2wdl n ALA 126 Cb 0.09 -0.19 0.14 0.00 0.00 0.00 0.00 19.45 19.49 2wdl n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdl n ALA 127 N -2.00 2.51 1.03 0.00 0.00 0.24 -3.90 120.51 118.39 2wdl n ALA 127 Ca -0.06 -0.17 0.01 0.00 0.00 0.00 0.00 53.44 53.22 2wdl n ALA 127 Cb 0.43 -1.05 0.06 0.00 0.00 0.00 0.00 19.45 18.89 2wdl n ALA 127 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2wdl n GLU 128 N -0.30 0.52 -1.16 0.00 -0.00 -0.97 -4.83 120.64 113.89 2wdl n GLU 128 Ca 0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 57.16 57.09 2wdl n GLU 128 Cb 0.09 -1.06 -0.13 0.00 -0.00 0.00 0.00 31.44 30.34 2wdl n GLU 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2wdl n ARG 129 N -0.56 0.00 -0.00 3.44 3.00 -1.25 -4.65 116.66 116.63 2wdl n ARG 129 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.86 2wdl n ARG 129 Cb 0.01 -0.88 -0.00 0.00 0.00 0.00 0.00 32.46 31.59 2wdl n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wdl n ALA 130 N 4.52 0.02 -2.69 5.13 0.00 -1.26 -5.09 120.51 121.14 2wdl n ALA 130 Ca 0.39 -0.25 -0.02 0.00 0.00 0.00 0.00 53.44 53.56 2wdl n ALA 130 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.67 2wdl n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdl n ALA 131 N -2.52 -2.04 0.52 0.00 0.00 -1.26 -4.69 120.51 110.51 2wdl n ALA 131 Ca -0.00 0.91 0.00 0.00 0.00 0.00 0.00 53.44 54.34 2wdl n ALA 131 Cb 0.01 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.36 2wdl n ALA 131 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wdl n LYS 132 N 2.12 0.79 0.10 0.00 5.02 -1.26 -4.23 118.16 120.71 2wdl n LYS 132 Ca -0.15 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.20 2wdl n LYS 132 Cb 0.23 -1.10 0.32 0.00 -0.02 0.00 0.00 35.03 34.46 2wdl n LYS 132 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2wdl n GLU 133 N 0.84 0.08 -2.41 1.97 4.07 -1.26 -4.56 120.64 119.37 2wdl n GLU 133 Ca 0.00 0.55 -0.28 0.00 -0.06 0.00 0.00 57.16 57.36 2wdl n GLU 133 Cb 0.40 -1.85 0.00 0.00 -0.06 0.00 0.00 31.44 29.93 2wdl n GLU 133 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2wdl s GLU 134 N -3.24 3.56 -1.51 5.31 2.56 -1.26 -3.07 118.70 121.04 2wdl s GLU 134 Ca -0.01 0.37 0.00 0.00 0.00 0.00 0.00 54.97 55.32 2wdl s GLU 134 Cb 0.03 -2.29 0.00 0.00 2.00 0.00 0.00 34.13 33.88 2wdl s GLU 134 CO 0.11 -0.31 0.00 0.00 -0.56 0.00 0.00 175.26 174.49 2wdl n ALA 135 N -2.40 -0.27 -0.48 6.30 0.00 -1.26 -4.64 120.51 117.76 2wdl n ALA 135 Ca 0.02 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2wdl n ALA 135 Cb 0.55 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2wdl n ALA 135 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wdl n GLN 136 N -2.54 0.49 -2.95 0.00 -0.06 -1.25 -4.96 117.38 106.11 2wdl n GLN 136 Ca -0.15 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.53 2wdl n GLN 136 Cb 0.51 -0.04 -0.03 0.00 -4.06 0.00 0.00 30.24 26.63 2wdl n GLN 136 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2wdl n LYS 137 N 0.00 3.81 0.00 3.69 4.76 -1.18 -5.13 118.16 124.11 2wdl n LYS 137 Ca 0.00 -4.76 0.00 0.00 -2.87 0.00 0.00 58.31 50.68 2wdl n LYS 137 Cb 0.00 -2.33 0.00 0.00 -1.84 0.00 0.00 35.03 30.86 2wdl n LYS 137 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03