#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl s ARG 4 N 0.00 0.17 -0.01 -0.72 0.52 -1.26 -1.91 118.95 115.75 2wdl s ARG 4 Ca 0.00 -0.15 0.01 0.00 -0.52 0.00 0.00 55.73 55.07 2wdl s ARG 4 Cb 0.00 -0.12 -0.00 0.00 0.52 0.00 0.00 34.95 35.35 2wdl s ARG 4 CO 0.00 0.03 -0.04 -1.17 0.02 0.00 0.00 175.30 174.14 2wdl s LEU 5 N -0.25 1.95 -0.42 2.53 0.20 -0.54 -4.94 118.68 117.20 2wdl s LEU 5 Ca -0.01 -0.07 -0.27 0.00 0.69 0.00 0.00 54.13 54.47 2wdl s LEU 5 Cb -0.02 -0.22 0.02 0.00 -0.43 0.00 0.00 46.19 45.54 2wdl s LEU 5 CO -0.00 0.04 0.98 -0.54 -0.29 0.00 0.00 176.35 176.54 2wdl s LYS 6 N -0.02 3.71 0.07 1.98 3.01 -1.26 -0.32 119.74 126.91 2wdl s LYS 6 Ca 0.01 0.45 -0.02 0.00 -1.01 0.00 0.00 55.97 55.40 2wdl s LYS 6 Cb -0.03 -3.87 -0.04 0.00 -1.01 0.00 0.00 37.83 32.88 2wdl s LYS 6 CO -0.00 -1.15 0.24 0.00 0.51 0.00 0.00 175.35 174.95 2wdl s ALA 7 N 3.81 3.95 0.16 5.17 0.00 -0.22 -4.59 121.76 130.05 2wdl s ALA 7 Ca 0.40 -0.76 0.08 0.00 0.00 0.00 0.00 51.96 51.68 2wdl s ALA 7 Cb -0.10 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 2wdl s ALA 7 CO 0.24 0.78 -0.18 0.71 0.00 0.00 0.00 175.76 177.32 2wdl s TYR 8 N -1.51 1.80 0.18 0.00 2.02 -0.90 -3.28 117.35 115.67 2wdl s TYR 8 Ca 0.35 -0.48 -0.16 0.00 -0.37 0.00 0.00 57.07 56.42 2wdl s TYR 8 Cb -0.13 -0.90 -0.07 0.00 -0.40 0.00 0.00 41.96 40.46 2wdl s TYR 8 CO 0.26 0.32 0.61 0.71 -1.57 0.00 0.00 175.55 175.88 2wdl s TYR 9 N -2.09 3.60 0.19 2.71 1.51 -1.26 -2.33 117.35 119.68 2wdl s TYR 9 Ca 0.16 1.16 0.11 0.00 -1.01 0.00 0.00 57.07 57.49 2wdl s TYR 9 Cb -0.05 -2.45 -0.04 0.00 -0.11 0.00 0.00 41.96 39.30 2wdl s TYR 9 CO 0.06 0.37 -0.24 0.50 -1.11 0.00 0.00 175.55 175.14 2wdl s ARG 10 N -2.06 1.51 0.00 -0.62 3.52 0.14 -4.87 118.95 116.57 2wdl s ARG 10 Ca 0.41 -1.53 0.00 0.00 -0.13 0.00 0.00 55.73 54.48 2wdl s ARG 10 Cb -0.15 -1.81 0.00 0.00 -1.56 0.00 0.00 34.95 31.43 2wdl s ARG 10 CO 0.20 0.39 0.00 0.39 -0.81 0.00 0.00 175.30 175.47 2wdl n GLU 11 N 0.25 0.00 0.00 5.12 4.71 -1.26 -4.57 120.64 124.88 2wdl n GLU 11 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.03 2wdl n GLU 11 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.99 2wdl n GLU 11 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wdl n GLY 12 N 0.00 1.42 3.69 0.62 0.00 -1.26 -4.82 105.19 104.84 2wdl n GLY 12 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2wdl n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdl s GLU 13 N 0.21 4.37 -0.60 1.61 0.41 -1.26 -4.99 118.70 118.45 2wdl s GLU 13 Ca 0.00 0.99 -0.28 0.00 -0.41 0.00 0.00 54.97 55.27 2wdl s GLU 13 Cb 0.00 -3.52 0.02 0.00 -1.78 0.00 0.00 34.13 28.85 2wdl s GLU 13 CO 0.00 -0.16 1.32 0.15 -0.49 0.00 0.00 175.26 176.08 2wdl s LYS 14 N 1.55 3.35 0.00 1.61 1.02 -1.26 -4.91 119.74 121.11 2wdl s LYS 14 Ca 0.39 0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.64 2wdl s LYS 14 Cb -0.17 -4.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.04 2wdl s LYS 14 CO 0.16 -1.89 0.32 -2.30 -0.92 0.00 0.00 175.35 170.72 2wdl n PRO 15 N 8.71 0.00 -0.28 -1.68 -0.02 -1.26 0.18 135.00 140.65 2wdl n PRO 15 Ca 0.09 0.32 0.22 0.00 -2.02 0.00 0.00 63.50 62.12 2wdl n PRO 15 Cb 0.49 -0.49 0.36 0.00 -0.02 0.00 0.00 33.50 33.84 2wdl n PRO 15 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2wdl n SER 16 N -2.17 0.06 -0.01 2.55 3.41 -1.26 0.15 113.62 116.34 2wdl n SER 16 Ca 0.00 0.60 -0.14 0.00 -0.26 0.00 0.00 58.87 59.07 2wdl n SER 16 Cb 0.00 -0.30 -0.14 0.00 -0.26 0.00 0.00 64.21 63.51 2wdl n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wdl n ALA 17 N -2.52 1.22 -0.29 7.33 0.00 0.47 -2.51 120.51 124.21 2wdl n ALA 17 Ca 0.20 -0.72 -0.03 0.00 0.00 0.00 0.00 53.44 52.90 2wdl n ALA 17 Cb 0.85 -0.73 0.09 0.00 0.00 0.00 0.00 19.45 19.66 2wdl n ALA 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wdl h LEU 18 N 0.03 0.87 -0.14 0.00 3.38 0.16 -1.04 115.31 118.58 2wdl h LEU 18 Ca -0.36 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2wdl h LEU 18 Cb 2.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 2wdl h LEU 18 CO 0.08 0.61 0.06 0.03 0.09 0.00 0.00 178.44 179.30 2wdl h ARG 19 N 1.02 0.20 -0.99 1.13 3.08 -1.47 0.68 114.38 118.04 2wdl h ARG 19 Ca 0.32 -0.03 0.36 0.00 0.07 0.00 0.00 59.98 60.69 2wdl h ARG 19 Cb -0.02 -0.03 -0.17 0.00 0.08 0.00 0.00 29.97 29.83 2wdl h ARG 19 CO -0.10 0.28 0.46 0.00 -1.07 0.00 0.00 179.97 179.54 2wdl h ARG 20 N 0.08 0.11 0.03 0.04 2.47 -0.91 -1.46 114.38 114.74 2wdl h ARG 20 Ca 0.05 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2wdl h ARG 20 Cb 0.14 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 2wdl h ARG 20 CO -0.00 0.07 -0.01 0.00 0.56 0.00 0.00 179.97 180.58 2wdl h ALA 21 N 1.94 -0.04 0.00 0.04 0.00 -1.09 -3.47 119.26 116.64 2wdl h ALA 21 Ca 0.76 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2wdl h ALA 21 Cb 1.87 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2wdl h ALA 21 CO -0.73 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 178.81 2wdl n GLY 22 N 1.07 0.08 3.60 0.00 0.00 -0.55 -5.12 105.19 104.27 2wdl n GLY 22 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 2wdl n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdl s LYS 23 N 0.00 0.07 -0.36 1.61 -0.14 0.20 -1.78 119.74 119.34 2wdl s LYS 23 Ca 0.00 0.85 -0.00 0.00 -1.36 0.00 0.00 55.97 55.46 2wdl s LYS 23 Cb 0.00 -1.67 0.13 0.00 -1.68 0.00 0.00 37.83 34.61 2wdl s LYS 23 CO 0.00 -3.06 0.19 -1.17 -0.76 0.00 0.00 175.35 170.55 2wdl s LEU 24 N -6.77 1.63 0.21 3.17 0.20 0.14 -3.67 118.68 113.61 2wdl s LEU 24 Ca 0.66 -2.11 -0.30 0.00 0.69 0.00 0.00 54.13 53.08 2wdl s LEU 24 Cb -0.22 -0.66 -0.16 0.00 -0.43 0.00 0.00 46.19 44.73 2wdl s LEU 24 CO 0.61 -0.33 0.91 -2.65 -0.29 0.00 0.00 176.35 174.59 2wdl n PRO 25 N 4.19 0.81 -3.87 0.98 -0.02 -1.26 -2.86 135.00 132.97 2wdl n PRO 25 Ca 0.06 0.28 -0.08 0.00 -2.02 0.00 0.00 63.50 61.75 2wdl n PRO 25 Cb 0.38 -1.59 -0.01 0.00 -0.02 0.00 0.00 33.50 32.26 2wdl n PRO 25 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2wdl s GLY 26 N -0.51 0.17 0.03 -1.23 0.00 -0.89 -2.70 107.32 102.20 2wdl s GLY 26 Ca 0.66 -0.55 0.01 0.00 0.00 0.00 0.00 44.72 44.85 2wdl s GLY 26 CO 0.56 -0.24 -0.06 0.54 0.00 0.00 0.00 173.10 173.91 2wdl s VAL 27 N -3.39 0.35 -0.10 1.40 0.11 -0.54 -0.79 120.40 117.43 2wdl s VAL 27 Ca 0.14 -0.94 0.02 0.00 -2.93 0.00 0.00 61.98 58.28 2wdl s VAL 27 Cb -0.05 -0.44 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 2wdl s VAL 27 CO 0.09 -0.39 -0.15 0.00 -3.33 0.00 0.00 175.10 171.31 2wdl s MET 28 N -1.41 2.22 0.05 1.54 0.23 -0.96 -0.53 119.30 120.44 2wdl s MET 28 Ca -0.11 -0.57 -0.09 0.00 -1.03 0.00 0.00 55.69 53.89 2wdl s MET 28 Cb -0.09 -1.87 0.00 0.00 -1.53 0.00 0.00 34.83 31.34 2wdl s MET 28 CO -0.00 -0.04 0.19 1.52 -2.03 0.00 0.00 175.02 174.66 2wdl s TYR 29 N 0.92 0.08 0.35 3.16 -0.85 -0.74 -0.91 117.35 119.36 2wdl s TYR 29 Ca -0.08 -0.36 -0.18 0.00 -0.52 0.00 0.00 57.07 55.93 2wdl s TYR 29 Cb -0.15 -0.04 0.04 0.00 0.38 0.00 0.00 41.96 42.19 2wdl s TYR 29 CO -0.01 -0.47 0.77 0.54 -1.52 0.00 0.00 175.55 174.87 2wdl s ASN 30 N -2.32 -0.09 0.39 -0.18 4.22 0.17 -2.43 114.94 114.71 2wdl s ASN 30 Ca -0.02 -0.96 0.36 0.00 -2.14 0.00 0.00 52.86 50.09 2wdl s ASN 30 Cb 0.01 0.81 1.24 0.00 1.28 0.00 0.00 41.25 44.58 2wdl s ASN 30 CO -0.06 -1.57 1.12 0.54 -2.04 0.00 0.00 177.10 175.08 2wdl n ARG 31 N -0.51 -0.00 0.00 3.55 1.74 -1.26 -0.94 116.66 119.24 2wdl n ARG 31 Ca -0.07 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 2wdl n ARG 31 Cb 0.60 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 2wdl n ARG 31 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2wdl n HIS 32 N -3.41 0.00 -4.48 -1.55 -0.00 -1.26 -5.09 115.22 99.44 2wdl n HIS 32 Ca 0.32 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.79 2wdl n HIS 32 Cb 1.44 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 31.29 2wdl n HIS 32 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 2wdl s LEU 33 N -0.56 2.22 -0.15 2.41 2.96 -0.11 -5.12 118.68 120.32 2wdl s LEU 33 Ca 0.00 -0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 53.25 2wdl s LEU 33 Cb 0.00 -0.91 0.06 0.00 0.50 0.00 0.00 46.19 45.84 2wdl s LEU 33 CO 0.00 0.11 0.36 0.21 -1.32 0.00 0.00 176.35 175.71 2wdl s ASN 34 N -1.47 -0.39 -0.16 3.68 2.47 -1.25 0.45 114.94 118.26 2wdl s ASN 34 Ca 0.07 0.80 -0.12 0.00 0.42 0.00 0.00 52.86 54.02 2wdl s ASN 34 Cb -0.09 0.73 0.05 0.00 -1.45 0.00 0.00 41.25 40.49 2wdl s ASN 34 CO 0.03 -0.19 0.42 -0.13 -3.72 0.00 0.00 177.10 173.51 2wdl s ARG 35 N 1.52 0.45 -0.19 0.43 1.81 -0.09 -4.99 118.95 117.89 2wdl s ARG 35 Ca -0.08 0.68 -0.29 0.00 -1.72 0.00 0.00 55.73 54.32 2wdl s ARG 35 Cb -0.09 0.13 -0.00 0.00 -0.45 0.00 0.00 34.95 34.53 2wdl s ARG 35 CO -0.12 -0.10 1.10 0.15 -0.68 0.00 0.00 175.30 175.65 2wdl s LYS 36 N 0.75 4.28 0.00 3.54 1.02 -1.26 -2.28 119.74 125.79 2wdl s LYS 36 Ca -0.04 1.45 0.00 0.00 0.02 0.00 0.00 55.97 57.40 2wdl s LYS 36 Cb -0.05 -3.65 0.00 0.00 -0.52 0.00 0.00 37.83 33.61 2wdl s LYS 36 CO -0.05 -0.59 0.00 1.33 -0.92 0.00 0.00 175.35 175.11 2wdl n VAL 37 N 5.18 0.00 -3.60 3.17 0.24 0.03 -0.68 118.33 122.67 2wdl n VAL 37 Ca 0.12 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.37 2wdl n VAL 37 Cb 0.46 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.80 2wdl n VAL 37 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 2wdl s TYR 38 N -1.10 -0.13 0.17 6.34 -0.85 -0.98 -2.09 117.35 118.71 2wdl s TYR 38 Ca 0.00 0.13 -0.11 0.00 -0.52 0.00 0.00 57.07 56.57 2wdl s TYR 38 Cb 0.00 0.50 -0.00 0.00 0.38 0.00 0.00 41.96 42.84 2wdl s TYR 38 CO 0.00 -0.18 0.33 0.14 -1.52 0.00 0.00 175.55 174.32 2wdl s VAL 39 N -2.04 0.06 0.00 -3.49 -7.23 -1.13 -2.11 120.40 104.46 2wdl s VAL 39 Ca 0.08 -1.26 -0.30 0.00 -1.81 0.00 0.00 61.98 58.69 2wdl s VAL 39 Cb -0.01 -1.78 -0.06 0.00 0.56 0.00 0.00 36.38 35.09 2wdl s VAL 39 CO -0.05 -0.26 1.50 -0.62 -0.31 0.00 0.00 175.10 175.37 2wdl s ASP 40 N -2.95 6.76 0.09 4.85 -1.08 -1.26 0.27 116.67 123.34 2wdl s ASP 40 Ca 0.15 2.21 -0.26 0.00 -0.52 0.00 0.00 52.55 54.14 2wdl s ASP 40 Cb 0.02 -2.56 -0.16 0.00 -1.46 0.00 0.00 42.92 38.77 2wdl s ASP 40 CO -0.01 -0.80 1.71 0.25 0.52 0.00 0.00 175.17 176.84 2wdl h LEU 41 N 8.80 -0.23 -0.95 -1.34 6.46 -1.60 0.95 115.31 127.41 2wdl h LEU 41 Ca -0.39 0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.44 2wdl h LEU 41 Cb 1.18 0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 41.11 2wdl h LEU 41 CO 0.92 -0.16 0.61 1.62 -0.62 0.00 0.00 178.44 180.82 2wdl h VAL 42 N -0.26 1.09 0.63 1.05 3.04 -1.91 0.45 116.25 120.35 2wdl h VAL 42 Ca -0.02 -0.39 -0.03 0.00 -1.01 0.00 0.00 66.70 65.25 2wdl h VAL 42 Cb 0.20 -0.14 0.01 0.00 -2.01 0.00 0.00 31.29 29.35 2wdl h VAL 42 CO 0.04 0.21 -0.30 -0.08 -1.01 0.00 0.00 177.57 176.42 2wdl h GLU 43 N 1.13 -0.82 -0.51 4.17 4.57 -1.91 -1.86 114.58 119.36 2wdl h GLU 43 Ca 0.40 0.06 0.15 0.00 -1.18 0.00 0.00 59.36 58.79 2wdl h GLU 43 Cb 0.13 0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 2wdl h GLU 43 CO -0.16 -0.51 0.40 0.35 -1.18 0.00 0.00 179.01 177.90 2wdl h PHE 44 N -0.97 0.00 -0.02 0.92 3.04 -0.21 -1.18 116.94 118.52 2wdl h PHE 44 Ca -0.09 0.00 -0.26 0.00 3.98 0.00 0.00 57.97 61.60 2wdl h PHE 44 Cb 0.69 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.22 2wdl h PHE 44 CO -0.01 0.00 -1.00 0.22 -2.02 0.00 0.00 178.31 175.50 2wdl h ASP 45 N 0.00 0.91 0.74 0.41 3.58 0.34 -0.16 116.42 122.23 2wdl h ASP 45 Ca 0.24 -0.73 -0.04 0.00 0.42 0.00 0.00 57.03 56.93 2wdl h ASP 45 Cb 1.03 -0.28 0.01 0.00 1.72 0.00 0.00 39.33 41.81 2wdl h ASP 45 CO -0.00 1.52 -0.35 0.11 -2.88 0.00 0.00 179.24 177.63 2wdl h LYS 46 N 0.40 -0.95 -0.21 0.28 1.57 -0.43 -1.78 116.57 115.45 2wdl h LYS 46 Ca -0.12 0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.79 2wdl h LYS 46 Cb 1.66 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 34.17 2wdl h LYS 46 CO 0.20 -0.64 0.24 -0.24 -0.57 0.00 0.00 179.45 178.45 2wdl h VAL 47 N -1.07 0.43 0.12 0.50 3.04 -1.46 -2.50 116.25 115.30 2wdl h VAL 47 Ca -0.10 0.00 -0.26 0.00 -1.01 0.00 0.00 66.70 65.33 2wdl h VAL 47 Cb 0.76 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 2wdl h VAL 47 CO 0.17 0.00 -1.31 0.15 -1.01 0.00 0.00 177.57 175.56 2wdl h PHE 48 N 0.00 0.46 0.00 3.17 -0.00 -0.89 -1.57 116.94 118.10 2wdl h PHE 48 Ca 0.10 -0.33 -0.01 0.00 -0.00 0.00 0.00 57.97 57.73 2wdl h PHE 48 Cb 0.58 -0.02 -0.00 0.00 -0.00 0.00 0.00 35.95 36.52 2wdl h PHE 48 CO 0.00 1.51 -0.05 -0.09 -0.00 0.00 0.00 178.31 179.68 2wdl h ARG 49 N -0.32 0.00 0.00 1.11 2.43 -1.15 -1.67 114.38 114.78 2wdl h ARG 49 Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2wdl h ARG 49 Cb 1.74 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 2wdl h ARG 49 CO 0.07 0.05 0.00 1.04 -1.51 0.00 0.00 179.97 179.62 2wdl n GLN 50 N -3.60 0.00 0.00 0.20 6.02 -0.96 -4.80 117.38 114.24 2wdl n GLN 50 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2wdl n GLN 50 Cb 0.15 -0.63 0.00 0.00 1.02 0.00 0.00 30.24 30.79 2wdl n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wdl n ALA 51 N -0.51 0.00 -1.40 -1.58 0.00 -0.59 -5.02 120.51 111.40 2wdl n ALA 51 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdl n ALA 51 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wdl n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wdl n SER 52 N 0.00 -2.82 -0.03 0.00 2.88 -0.65 -4.51 113.62 108.48 2wdl n SER 52 Ca 0.00 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 2wdl n SER 52 Cb 0.00 -1.79 0.00 0.00 -0.75 0.00 0.00 64.21 61.67 2wdl n SER 52 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2wdl n ILE 53 N 0.33 0.00 0.00 2.46 -0.00 -1.26 -3.83 119.36 117.06 2wdl n ILE 53 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.72 2wdl n ILE 53 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.68 2wdl n ILE 53 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 2wdl n HIS 54 N -0.01 0.00 -4.42 4.28 8.25 -1.26 -4.73 115.22 117.33 2wdl n HIS 54 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 2wdl n HIS 54 Cb 0.00 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 30.98 2wdl n HIS 54 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2wdl s HIS 55 N -1.00 1.55 0.50 4.41 3.76 -1.25 -4.73 115.29 118.53 2wdl s HIS 55 Ca 0.00 -0.39 -0.21 0.00 -0.15 0.00 0.00 55.06 54.31 2wdl s HIS 55 Cb 0.00 -0.90 -0.07 0.00 1.11 0.00 0.00 32.58 32.72 2wdl s HIS 55 CO 0.00 0.10 1.13 0.08 -0.85 0.00 0.00 174.74 175.19 2wdl s VAL 56 N -0.95 3.25 0.06 -0.90 1.01 -1.26 -4.58 120.40 117.02 2wdl s VAL 56 Ca 0.04 0.84 0.08 0.00 0.00 0.00 0.00 61.98 62.95 2wdl s VAL 56 Cb -0.09 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 2wdl s VAL 56 CO 0.02 -0.11 -0.23 -0.63 0.00 0.00 0.00 175.10 174.16 2wdl s ILE 57 N -1.71 1.85 -0.29 2.22 1.01 -0.16 -4.55 121.20 119.57 2wdl s ILE 57 Ca 0.68 -1.34 -0.07 0.00 0.00 0.00 0.00 60.65 59.92 2wdl s ILE 57 Cb -0.24 -1.62 0.01 0.00 0.01 0.00 0.00 42.46 40.62 2wdl s ILE 57 CO 0.29 0.21 0.07 -0.69 0.00 0.00 0.00 174.94 174.82 2wdl s VAL 58 N -0.87 3.94 -0.55 2.92 1.01 -0.80 0.11 120.40 126.17 2wdl s VAL 58 Ca 0.09 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 61.18 2wdl s VAL 58 Cb -0.09 -3.01 0.04 0.00 0.00 0.00 0.00 36.38 33.32 2wdl s VAL 58 CO 0.02 0.12 0.93 -0.76 0.00 0.00 0.00 175.10 175.41 2wdl s LEU 59 N 1.50 4.14 -0.58 3.92 1.43 -0.28 -1.47 118.68 127.35 2wdl s LEU 59 Ca 0.03 -0.36 -0.25 0.00 -1.03 0.00 0.00 54.13 52.51 2wdl s LEU 59 Cb -0.17 -2.82 0.04 0.00 0.03 0.00 0.00 46.19 43.27 2wdl s LEU 59 CO 0.02 -1.21 1.04 -1.61 0.23 0.00 0.00 176.35 174.82 2wdl s GLU 60 N 3.88 3.36 0.51 1.70 2.02 0.56 -2.67 118.70 128.06 2wdl s GLU 60 Ca 0.30 -0.16 -0.15 0.00 0.02 0.00 0.00 54.97 54.97 2wdl s GLU 60 Cb -0.13 -4.06 -0.07 0.00 0.10 0.00 0.00 34.13 29.97 2wdl s GLU 60 CO 0.19 -1.61 0.97 -0.51 0.02 0.00 0.00 175.26 174.32 2wdl s LEU 61 N 4.36 3.60 0.00 1.80 1.43 -0.93 -1.05 118.68 127.88 2wdl s LEU 61 Ca 0.34 1.50 0.18 0.00 -1.03 0.00 0.00 54.13 55.11 2wdl s LEU 61 Cb -0.11 -4.45 0.96 0.00 0.03 0.00 0.00 46.19 42.62 2wdl s LEU 61 CO 0.20 -0.60 1.51 -0.81 0.23 0.00 0.00 176.35 176.88 2wdl n PRO 62 N -1.68 0.36 -0.21 1.29 -0.04 -1.20 -2.54 135.00 130.98 2wdl n PRO 62 Ca 0.06 0.08 0.06 0.00 -0.04 0.00 0.00 63.50 63.66 2wdl n PRO 62 Cb 0.54 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.68 2wdl n PRO 62 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wdl n ASP 63 N -1.19 2.18 0.00 3.54 8.00 -1.26 -4.96 116.55 122.86 2wdl n ASP 63 Ca 0.10 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.60 2wdl n ASP 63 Cb 0.11 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 2wdl n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wdl n GLY 64 N 1.14 2.51 3.71 0.44 0.00 -1.05 -5.02 105.19 106.92 2wdl n GLY 64 Ca 0.14 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 2wdl n GLY 64 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wdl s GLN 65 N 0.00 1.58 0.02 1.61 0.00 -1.26 -4.76 119.66 116.85 2wdl s GLN 65 Ca 0.00 1.42 0.01 0.00 -0.00 0.00 0.00 55.36 56.79 2wdl s GLN 65 Cb 0.00 -1.80 -0.02 0.00 0.00 0.00 0.00 33.01 31.19 2wdl s GLN 65 CO 0.00 -2.19 -0.04 -1.54 0.00 0.00 0.00 175.29 171.52 2wdl s SER 66 N -2.89 0.39 0.02 12.60 1.04 -1.26 -2.20 113.70 121.39 2wdl s SER 66 Ca 0.65 -0.46 -0.05 0.00 0.48 0.00 0.00 55.95 56.58 2wdl s SER 66 Cb -0.21 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 2wdl s SER 66 CO 0.56 -0.24 0.08 -1.48 0.98 0.00 0.00 173.24 173.14 2wdl s LEU 67 N -1.32 1.82 0.29 2.42 0.05 -1.09 -4.97 118.68 115.89 2wdl s LEU 67 Ca -0.12 -0.38 -0.29 0.00 0.05 0.00 0.00 54.13 53.38 2wdl s LEU 67 Cb -0.09 0.49 -0.10 0.00 -2.05 0.00 0.00 46.19 44.44 2wdl s LEU 67 CO -0.01 -0.39 1.27 -2.16 -0.55 0.00 0.00 176.35 174.52 2wdl s PRO 68 N -1.74 4.42 0.07 1.48 0.04 -1.26 -1.13 135.00 136.88 2wdl s PRO 68 Ca -0.12 2.11 -0.10 0.00 0.04 0.00 0.00 61.00 62.92 2wdl s PRO 68 Cb -0.06 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2wdl s PRO 68 CO -0.01 -0.13 0.21 0.95 0.04 0.00 0.00 177.00 178.06 2wdl s THR 69 N -0.85 0.12 -0.04 1.26 -4.23 0.30 -0.56 115.64 111.65 2wdl s THR 69 Ca 0.50 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 2wdl s THR 69 Cb -0.38 -1.16 0.03 0.00 1.34 0.00 0.00 72.50 72.33 2wdl s THR 69 CO 0.47 -0.56 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.23 2wdl s LEU 70 N -2.55 1.12 0.28 4.79 1.43 -0.77 -0.99 118.68 122.00 2wdl s LEU 70 Ca 0.01 -0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.77 2wdl s LEU 70 Cb 0.02 -0.28 -0.10 0.00 0.03 0.00 0.00 46.19 45.87 2wdl s LEU 70 CO -0.08 -0.10 1.25 -0.69 0.23 0.00 0.00 176.35 176.96 2wdl s VAL 71 N 1.10 3.07 -0.03 -1.59 1.01 -1.26 0.19 120.40 122.88 2wdl s VAL 71 Ca -0.09 1.01 0.00 0.00 0.00 0.00 0.00 61.98 62.90 2wdl s VAL 71 Cb -0.14 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2wdl s VAL 71 CO -0.02 0.21 0.58 0.54 0.00 0.00 0.00 175.10 176.42 2wdl n ARG 72 N 1.47 -0.40 0.00 2.72 5.12 -0.37 -4.61 116.66 120.60 2wdl n ARG 72 Ca 0.02 -0.66 0.00 0.00 -1.93 0.00 0.00 57.85 55.28 2wdl n ARG 72 Cb 0.43 -1.01 0.00 0.00 -1.16 0.00 0.00 32.46 30.72 2wdl n ARG 72 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2wdl n GLN 73 N -0.05 0.00 -3.37 5.56 7.27 -1.26 -5.01 117.38 120.52 2wdl n GLN 73 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.83 2wdl n GLN 73 Cb 0.04 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.60 2wdl n GLN 73 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2wdl s VAL 74 N -2.00 0.03 0.58 1.69 1.01 -1.26 -3.22 120.40 117.22 2wdl s VAL 74 Ca 0.00 -1.84 -0.18 0.00 0.00 0.00 0.00 61.98 59.96 2wdl s VAL 74 Cb 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.28 2wdl s VAL 74 CO 0.00 -0.93 0.27 0.59 0.00 0.00 0.00 175.10 175.03 2wdl n ASN 75 N 3.60 -2.09 -3.80 3.32 4.13 -0.84 -4.83 115.26 114.75 2wdl n ASN 75 Ca 0.18 0.68 -0.14 0.00 1.68 0.00 0.00 54.58 56.99 2wdl n ASN 75 Cb 0.44 -1.06 -0.15 0.00 -1.54 0.00 0.00 39.78 37.47 2wdl n ASN 75 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2wdl s LEU 76 N 2.28 1.26 -0.51 3.41 1.43 -1.26 -2.06 118.68 123.23 2wdl s LEU 76 Ca 0.64 0.13 -0.26 0.00 -1.03 0.00 0.00 54.13 53.60 2wdl s LEU 76 Cb -0.44 0.13 -0.08 0.00 0.03 0.00 0.00 46.19 45.83 2wdl s LEU 76 CO 0.59 -0.09 2.42 -0.67 0.23 0.00 0.00 176.35 178.84 2wdl n ASP 77 N 3.77 2.26 -0.29 2.29 -0.08 -1.16 -4.74 116.55 118.60 2wdl n ASP 77 Ca -0.22 -0.55 0.12 0.00 -1.51 0.00 0.00 54.79 52.63 2wdl n ASP 77 Cb 0.54 -1.58 0.28 0.00 2.34 0.00 0.00 41.12 42.70 2wdl n ASP 77 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2wdl h LYS 78 N 19.25 0.27 -5.92 -0.67 1.79 -1.97 -3.10 116.57 126.23 2wdl h LYS 78 Ca -0.23 -0.02 -0.58 0.00 -2.18 0.00 0.00 60.65 57.64 2wdl h LYS 78 Cb 1.26 -0.06 -0.11 0.00 -1.58 0.00 0.00 32.23 31.74 2wdl h LYS 78 CO 1.16 0.18 0.86 0.50 -1.08 0.00 0.00 179.45 181.06 2wdl s ARG 79 N -5.93 3.19 0.00 3.15 3.52 -1.26 -4.11 118.95 117.50 2wdl s ARG 79 Ca -0.12 -0.58 0.00 0.00 -0.13 0.00 0.00 55.73 54.91 2wdl s ARG 79 Cb 0.25 -4.28 0.00 0.00 -1.56 0.00 0.00 34.95 29.36 2wdl s ARG 79 CO 0.77 -2.00 0.00 0.54 -0.81 0.00 0.00 175.30 173.80 2wdl n ARG 80 N 8.57 0.00 -1.33 5.12 5.12 -1.24 -4.93 116.66 127.97 2wdl n ARG 80 Ca 0.02 0.47 -0.52 0.00 -1.93 0.00 0.00 57.85 55.90 2wdl n ARG 80 Cb 0.48 -1.41 -0.08 0.00 -1.16 0.00 0.00 32.46 30.29 2wdl n ARG 80 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2wdl n ARG 81 N -0.81 0.00 0.00 5.56 1.85 -1.17 -4.73 116.66 117.36 2wdl n ARG 81 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2wdl n ARG 81 Cb 0.34 -1.16 0.00 0.00 -1.05 0.00 0.00 32.46 30.59 2wdl n ARG 81 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2wdl n ARG 82 N 2.82 0.00 -1.58 2.89 0.63 -1.26 -4.99 116.66 115.18 2wdl n ARG 82 Ca 0.23 0.00 -0.59 0.00 -0.92 0.00 0.00 57.85 56.57 2wdl n ARG 82 Cb -0.03 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.80 2wdl n ARG 82 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2wdl n PRO 83 N 0.00 0.33 -0.10 -0.14 -0.04 -1.26 -2.99 135.00 130.80 2wdl n PRO 83 Ca 0.00 0.12 -0.12 0.00 -0.04 0.00 0.00 63.50 63.46 2wdl n PRO 83 Cb 0.00 -1.66 -0.04 0.00 -0.04 0.00 0.00 33.50 31.76 2wdl n PRO 83 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wdl n GLU 84 N 2.44 0.53 -3.80 0.54 1.02 -0.88 -4.88 120.64 115.62 2wdl n GLU 84 Ca 0.22 0.26 -0.13 0.00 -0.02 0.00 0.00 57.16 57.49 2wdl n GLU 84 Cb 0.08 -1.47 -0.14 0.00 -0.02 0.00 0.00 31.44 29.89 2wdl n GLU 84 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2wdl s HIS 85 N -2.77 -0.11 0.04 -0.32 5.04 -1.26 -4.00 115.29 111.91 2wdl s HIS 85 Ca -0.29 0.33 0.07 0.00 -1.54 0.00 0.00 55.06 53.62 2wdl s HIS 85 Cb 0.05 -0.04 -0.02 0.00 0.04 0.00 0.00 32.58 32.61 2wdl s HIS 85 CO 0.42 -0.10 -0.19 0.54 -2.34 0.00 0.00 174.74 173.07 2wdl s VAL 86 N 0.59 1.51 -0.05 0.89 0.11 -1.10 -1.98 120.40 120.36 2wdl s VAL 86 Ca -0.04 -1.12 0.05 0.00 -2.93 0.00 0.00 61.98 57.94 2wdl s VAL 86 Cb -0.06 -1.32 -0.01 0.00 -1.53 0.00 0.00 36.38 33.46 2wdl s VAL 86 CO -0.03 0.16 -0.21 1.51 -3.33 0.00 0.00 175.10 173.21 2wdl s ASP 87 N -1.12 2.64 -0.04 3.54 3.84 -1.20 -1.47 116.67 122.86 2wdl s ASP 87 Ca 0.06 -0.44 0.02 0.00 -0.00 0.00 0.00 52.55 52.19 2wdl s ASP 87 Cb -0.08 -0.74 -0.03 0.00 -1.38 0.00 0.00 42.92 40.69 2wdl s ASP 87 CO 0.01 0.20 -0.08 -0.36 -0.00 0.00 0.00 175.17 174.95 2wdl s PHE 88 N -0.06 2.89 -0.59 2.11 0.40 0.30 -1.23 117.98 121.81 2wdl s PHE 88 Ca -0.04 -0.02 -0.19 0.00 -0.60 0.00 0.00 56.93 56.07 2wdl s PHE 88 Cb -0.13 -1.66 0.09 0.00 0.51 0.00 0.00 43.02 41.84 2wdl s PHE 88 CO 0.03 0.34 0.73 0.12 0.70 0.00 0.00 175.22 177.13 2wdl s PHE 89 N -0.88 2.96 -0.10 0.36 5.99 0.51 -1.79 117.98 125.03 2wdl s PHE 89 Ca 0.14 -0.85 -0.30 0.00 0.00 0.00 0.00 56.93 55.92 2wdl s PHE 89 Cb -0.11 -3.99 -0.08 0.00 0.00 0.00 0.00 43.02 38.84 2wdl s PHE 89 CO 0.04 -1.31 2.08 0.28 -0.00 0.00 0.00 175.22 176.31 2wdl n VAL 90 N 5.61 0.55 -2.76 3.12 0.31 -1.02 -1.85 118.33 122.29 2wdl n VAL 90 Ca -0.08 -0.27 -0.40 0.00 -0.01 0.00 0.00 64.34 63.58 2wdl n VAL 90 Cb 0.43 -2.33 -0.06 0.00 -0.91 0.00 0.00 33.84 30.98 2wdl n VAL 90 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2wdl s LEU 91 N 6.09 4.62 0.07 7.52 1.02 0.27 -4.68 118.68 133.58 2wdl s LEU 91 Ca 0.95 1.90 -0.01 0.00 0.02 0.00 0.00 54.13 56.99 2wdl s LEU 91 Cb -0.45 -3.58 -0.00 0.00 0.02 0.00 0.00 46.19 42.17 2wdl s LEU 91 CO 0.41 0.13 -0.02 -1.54 0.02 0.00 0.00 176.35 175.35 2wdl n SER 92 N 1.71 0.95 0.00 2.29 3.41 -1.26 -4.58 113.62 116.15 2wdl n SER 92 Ca -0.02 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2wdl n SER 92 Cb 0.47 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 2wdl n SER 92 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2wdl n ASP 93 N -3.37 0.00 -4.58 4.04 5.75 -1.26 -4.99 116.55 112.14 2wdl n ASP 93 Ca -0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.37 2wdl n ASP 93 Cb 0.03 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.15 2wdl n ASP 93 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2wdl n GLU 94 N 0.00 1.08 -0.27 0.11 -0.58 -1.26 -4.31 120.64 115.41 2wdl n GLU 94 Ca 0.00 0.40 -0.07 0.00 -0.42 0.00 0.00 57.16 57.07 2wdl n GLU 94 Cb 0.00 -2.00 -0.01 0.00 -0.57 0.00 0.00 31.44 28.85 2wdl n GLU 94 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2wdl n PRO 95 N -0.16 0.72 -0.90 3.49 -0.04 -1.26 -4.25 135.00 132.61 2wdl n PRO 95 Ca 0.11 -0.71 -0.34 0.00 -0.04 0.00 0.00 63.50 62.52 2wdl n PRO 95 Cb 0.42 -2.03 0.03 0.00 -0.04 0.00 0.00 33.50 31.88 2wdl n PRO 95 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2wdl n VAL 96 N 4.23 0.00 -4.38 0.52 3.14 -0.85 -3.34 118.33 117.65 2wdl n VAL 96 Ca 0.15 -0.22 -0.34 0.00 -2.96 0.00 0.00 64.34 60.98 2wdl n VAL 96 Cb 0.09 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 32.73 2wdl n VAL 96 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2wdl s GLU 97 N -1.79 3.40 0.04 1.45 2.12 -1.26 -1.24 118.70 121.41 2wdl s GLU 97 Ca 0.34 -0.65 -0.23 0.00 0.36 0.00 0.00 54.97 54.79 2wdl s GLU 97 Cb -0.03 -2.80 0.05 0.00 0.26 0.00 0.00 34.13 31.61 2wdl s GLU 97 CO 0.67 0.04 0.53 0.00 -0.54 0.00 0.00 175.26 175.96 2wdl s MET 98 N 0.81 1.03 -0.44 4.30 0.23 0.49 -4.95 119.30 120.77 2wdl s MET 98 Ca -0.03 -0.18 -0.20 0.00 -1.03 0.00 0.00 55.69 54.25 2wdl s MET 98 Cb -0.15 0.47 0.03 0.00 -1.53 0.00 0.00 34.83 33.65 2wdl s MET 98 CO 0.01 -0.37 0.58 0.71 -2.03 0.00 0.00 175.02 173.93 2wdl s TYR 99 N -2.30 3.09 -0.02 3.16 4.12 -1.26 -0.37 117.35 123.77 2wdl s TYR 99 Ca -0.06 -0.20 -0.15 0.00 0.02 0.00 0.00 57.07 56.68 2wdl s TYR 99 Cb -0.01 -3.24 -0.05 0.00 -1.52 0.00 0.00 41.96 37.14 2wdl s TYR 99 CO -0.01 -0.84 0.40 0.14 0.02 0.00 0.00 175.55 175.26 2wdl s VAL 100 N 2.61 5.08 1.07 0.71 -7.23 -0.92 -4.57 120.40 117.15 2wdl s VAL 100 Ca 0.19 0.81 -0.19 0.00 -1.81 0.00 0.00 61.98 60.98 2wdl s VAL 100 Cb -0.15 -3.71 0.07 0.00 0.56 0.00 0.00 36.38 33.15 2wdl s VAL 100 CO 0.17 0.54 -0.17 -2.65 -0.31 0.00 0.00 175.10 172.68 2wdl n PRO 101 N 2.11 -1.54 -4.02 4.82 -0.02 -1.26 -2.64 135.00 132.44 2wdl n PRO 101 Ca -0.13 -0.44 -0.08 0.00 -2.02 0.00 0.00 63.50 60.82 2wdl n PRO 101 Cb 0.52 -1.52 -0.10 0.00 -0.02 0.00 0.00 33.50 32.39 2wdl n PRO 101 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wdl s LEU 102 N 0.65 2.20 -0.32 2.45 1.43 -1.11 -3.16 118.68 120.81 2wdl s LEU 102 Ca 0.47 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 2wdl s LEU 102 Cb -0.06 0.36 0.10 0.00 0.03 0.00 0.00 46.19 46.62 2wdl s LEU 102 CO 0.57 -0.56 0.07 -0.13 0.23 0.00 0.00 176.35 176.53 2wdl s ARG 103 N -3.35 1.10 -0.69 1.70 0.52 -0.48 -4.77 118.95 112.99 2wdl s ARG 103 Ca 0.02 -1.43 -0.09 0.00 -0.52 0.00 0.00 55.73 53.70 2wdl s ARG 103 Cb 0.04 -2.57 -0.08 0.00 0.52 0.00 0.00 34.95 32.86 2wdl s ARG 103 CO -0.08 -0.95 1.86 1.19 0.02 0.00 0.00 175.30 177.34 2wdl n PHE 104 N 4.57 1.17 -1.81 -0.53 3.72 -1.26 -2.74 117.46 120.58 2wdl n PHE 104 Ca 0.00 -1.61 -0.20 0.00 -0.05 0.00 0.00 57.45 55.59 2wdl n PHE 104 Cb 0.42 -1.45 -0.07 0.00 -0.94 0.00 0.00 39.48 37.44 2wdl n PHE 104 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2wdl s VAL 105 N 4.17 3.24 -3.64 -4.37 0.11 -0.69 -4.64 120.40 114.58 2wdl s VAL 105 Ca 0.38 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 2wdl s VAL 105 Cb 0.10 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 31.19 2wdl s VAL 105 CO 0.02 -0.48 0.00 0.61 -3.33 0.00 0.00 175.10 171.92 2wdl n GLY 106 N 6.55 -0.53 3.60 6.54 0.00 -1.26 -3.55 105.19 116.55 2wdl n GLY 106 Ca 0.43 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 2wdl n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wdl s THR 107 N -3.28 0.00 0.00 2.61 -4.23 -1.25 -4.92 115.64 104.57 2wdl s THR 107 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2wdl s THR 107 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 2wdl s THR 107 CO 0.00 0.00 0.00 -0.81 -0.54 0.00 0.00 174.62 173.27 2wdl n PRO 108 N 1.82 0.00 -3.61 3.99 -0.04 -1.26 -4.10 135.00 131.80 2wdl n PRO 108 Ca -0.14 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.28 2wdl n PRO 108 Cb 0.56 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 2wdl n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wdl s ALA 109 N -2.69 -1.90 0.00 0.55 0.00 -0.61 -2.16 121.76 114.95 2wdl s ALA 109 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2wdl s ALA 109 Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.48 2wdl s ALA 109 CO 0.00 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.34 2wdl n GLY 110 N -0.32 2.54 1.12 0.00 0.00 -1.26 -4.37 105.19 102.91 2wdl n GLY 110 Ca -0.06 -0.71 0.09 0.00 0.00 0.00 0.00 46.02 45.35 2wdl n GLY 110 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2wdl n VAL 111 N 0.00 0.86 0.00 1.61 3.14 -1.26 -4.77 118.33 117.91 2wdl n VAL 111 Ca 0.00 -0.81 0.00 0.00 -2.96 0.00 0.00 64.34 60.57 2wdl n VAL 111 Cb 0.00 0.37 0.00 0.00 -1.06 0.00 0.00 33.84 33.15 2wdl n VAL 111 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2wdl n ARG 112 N 1.22 0.00 0.28 1.45 1.74 -1.26 -5.07 116.66 115.02 2wdl n ARG 112 Ca 0.20 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.17 2wdl n ARG 112 Cb 0.53 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.91 2wdl n ARG 112 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wdl h ALA 113 N 1.00 -1.10 -2.25 7.54 0.00 -2.01 -3.47 119.26 118.97 2wdl h ALA 113 Ca 0.00 -0.16 -0.31 0.00 0.00 0.00 0.00 54.91 54.44 2wdl h ALA 113 Cb 0.00 0.28 -0.15 0.00 0.00 0.00 0.00 17.79 17.92 2wdl h ALA 113 CO 0.00 -1.05 -0.67 0.20 0.00 0.00 0.00 179.25 177.73 2wdl s GLY 114 N -1.71 1.23 0.00 0.00 0.00 -1.26 -4.81 107.32 100.77 2wdl s GLY 114 Ca -0.11 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.02 2wdl s GLY 114 CO 0.32 -1.57 0.00 0.61 0.00 0.00 0.00 173.10 172.46 2wdl n GLY 115 N -0.26 -1.62 2.76 0.20 0.00 -1.26 -4.55 105.19 100.46 2wdl n GLY 115 Ca -0.07 0.90 -0.29 0.00 0.00 0.00 0.00 46.02 46.55 2wdl n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdl s VAL 116 N 0.00 1.77 -0.95 1.61 1.01 -1.26 -4.87 120.40 117.70 2wdl s VAL 116 Ca 0.00 -2.97 -0.07 0.00 0.00 0.00 0.00 61.98 58.94 2wdl s VAL 116 Cb 0.00 -2.22 -0.06 0.00 0.00 0.00 0.00 36.38 34.10 2wdl s VAL 116 CO 0.00 -0.92 2.15 -0.11 0.00 0.00 0.00 175.10 176.21 2wdl n LEU 117 N 3.16 5.12 -3.26 3.92 7.94 -1.26 -3.06 117.00 129.56 2wdl n LEU 117 Ca 0.11 -2.99 -0.25 0.00 -1.11 0.00 0.00 56.01 51.78 2wdl n LEU 117 Cb 0.35 -1.13 0.02 0.00 0.53 0.00 0.00 43.42 43.19 2wdl n LEU 117 CO 0.25 0.64 -1.36 1.67 -1.11 0.00 0.00 177.39 177.48 2wdl n GLN 118 N 4.37 0.00 -3.41 1.96 7.27 0.95 -4.73 117.38 123.80 2wdl n GLN 118 Ca 0.47 0.00 -0.44 0.00 0.07 0.00 0.00 57.00 57.10 2wdl n GLN 118 Cb 0.16 -0.83 -0.08 0.00 2.41 0.00 0.00 30.24 31.90 2wdl n GLN 118 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 2wdl s GLU 119 N -1.66 2.95 -0.01 3.69 -1.05 -1.26 -4.14 118.70 117.22 2wdl s GLU 119 Ca 0.23 -1.37 0.10 0.00 -0.15 0.00 0.00 54.97 53.78 2wdl s GLU 119 Cb 0.07 -4.11 -0.16 0.00 -0.44 0.00 0.00 34.13 29.49 2wdl s GLU 119 CO 0.42 -1.03 0.23 -0.89 0.95 0.00 0.00 175.26 174.94 2wdl n ILE 120 N 5.18 0.00 -3.27 1.83 2.08 -0.74 -4.95 119.36 119.50 2wdl n ILE 120 Ca -0.12 -0.24 0.03 0.00 0.56 0.00 0.00 62.75 62.98 2wdl n ILE 120 Cb 0.43 0.28 -0.02 0.00 -0.75 0.00 0.00 39.64 39.59 2wdl n ILE 120 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 2wdl s HIS 121 N -2.70 -1.54 -2.26 1.39 3.76 0.21 -4.77 115.29 109.36 2wdl s HIS 121 Ca -0.04 1.86 0.21 0.00 -0.15 0.00 0.00 55.06 56.94 2wdl s HIS 121 Cb 0.07 0.62 0.53 0.00 1.11 0.00 0.00 32.58 34.90 2wdl s HIS 121 CO 0.43 -0.83 1.45 0.54 -0.85 0.00 0.00 174.74 175.48 2wdl n ARG 122 N 5.43 2.36 -3.13 1.40 1.74 -1.26 -4.83 116.66 118.37 2wdl n ARG 122 Ca -0.04 -2.08 0.03 0.00 -0.77 0.00 0.00 57.85 54.99 2wdl n ARG 122 Cb 0.51 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.47 2wdl n ARG 122 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2wdl n ASP 123 N 1.24 -0.58 -3.76 0.55 5.68 -1.26 -2.75 116.55 115.66 2wdl n ASP 123 Ca 0.19 -1.03 -0.13 0.00 -0.50 0.00 0.00 54.79 53.33 2wdl n ASP 123 Cb 0.53 0.88 -0.12 0.00 -1.14 0.00 0.00 41.12 41.28 2wdl n ASP 123 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2wdl s ILE 124 N -2.02 -0.01 0.03 2.12 1.01 -1.08 -4.97 121.20 116.28 2wdl s ILE 124 Ca 0.18 0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.56 2wdl s ILE 124 Cb -0.00 -0.40 -0.06 0.00 0.01 0.00 0.00 42.46 42.00 2wdl s ILE 124 CO -0.01 0.01 1.40 -0.22 0.00 0.00 0.00 174.94 176.12 2wdl s LEU 125 N 0.40 4.33 0.14 2.97 2.96 -1.26 -2.16 118.68 126.07 2wdl s LEU 125 Ca -0.02 2.17 -0.00 0.00 -0.22 0.00 0.00 54.13 56.06 2wdl s LEU 125 Cb -0.04 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 2wdl s LEU 125 CO -0.02 -0.70 0.04 0.68 -1.32 0.00 0.00 176.35 175.04 2wdl s VAL 126 N 2.04 0.27 0.11 1.68 -7.23 0.50 -0.51 120.40 117.27 2wdl s VAL 126 Ca 0.64 -1.93 0.03 0.00 -1.81 0.00 0.00 61.98 58.91 2wdl s VAL 126 Cb -0.33 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 2wdl s VAL 126 CO 0.28 -0.46 0.15 -0.75 -0.31 0.00 0.00 175.10 174.01 2wdl s LYS 127 N -4.01 3.09 -0.24 4.82 2.20 -0.85 -0.38 119.74 124.37 2wdl s LYS 127 Ca 0.24 -0.68 -0.34 0.00 -0.36 0.00 0.00 55.97 54.84 2wdl s LYS 127 Cb 0.07 -2.81 0.16 0.00 -1.51 0.00 0.00 37.83 33.74 2wdl s LYS 127 CO 0.02 0.54 1.28 0.54 -0.36 0.00 0.00 175.35 177.38 2wdl s VAL 128 N -1.57 0.00 0.16 4.02 0.11 -0.37 -3.41 120.40 119.34 2wdl s VAL 128 Ca 0.32 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.06 2wdl s VAL 128 Cb -0.12 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.65 2wdl s VAL 128 CO 0.25 0.00 1.29 -0.94 -3.33 0.00 0.00 175.10 172.37 2wdl s SER 129 N -1.70 6.94 0.67 3.54 1.04 -1.25 -2.02 113.70 120.92 2wdl s SER 129 Ca 0.09 2.31 0.30 0.00 0.48 0.00 0.00 55.95 59.13 2wdl s SER 129 Cb -0.01 -2.60 1.63 0.00 0.10 0.00 0.00 66.02 65.14 2wdl s SER 129 CO -0.05 -0.52 1.92 1.55 0.98 0.00 0.00 173.24 177.12 2wdl h PRO 130 N 5.79 0.00 0.00 4.02 0.13 -1.75 -3.07 132.00 137.11 2wdl h PRO 130 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2wdl h PRO 130 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2wdl h PRO 130 CO 0.79 0.00 0.00 2.89 -0.23 0.00 0.00 178.00 181.45 2wdl n ARG 131 N -2.90 0.00 -1.11 0.86 1.85 -1.26 -4.39 116.66 109.72 2wdl n ARG 131 Ca -0.02 0.35 -0.41 0.00 -1.00 0.00 0.00 57.85 56.77 2wdl n ARG 131 Cb 0.39 -0.95 -0.07 0.00 -1.05 0.00 0.00 32.46 30.77 2wdl n ARG 131 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2wdl n ASN 132 N -1.55 2.19 -4.43 2.89 5.15 -1.16 -4.86 115.26 113.48 2wdl n ASN 132 Ca 0.00 -2.63 -0.39 0.00 -0.60 0.00 0.00 54.58 50.95 2wdl n ASN 132 Cb 0.00 -1.06 -0.11 0.00 -0.53 0.00 0.00 39.78 38.08 2wdl n ASN 132 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2wdl s ILE 133 N 6.48 4.69 0.96 -1.44 1.01 -1.26 -4.64 121.20 126.99 2wdl s ILE 133 Ca 0.62 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 2wdl s ILE 133 Cb 0.12 -3.46 0.14 0.00 0.01 0.00 0.00 42.46 39.27 2wdl s ILE 133 CO 0.18 -0.03 0.94 -2.65 0.00 0.00 0.00 174.94 173.38 2wdl n PRO 134 N 5.00 -0.65 -0.07 2.79 -0.02 -1.26 -4.97 135.00 135.82 2wdl n PRO 134 Ca -0.13 -0.13 -0.09 0.00 -2.02 0.00 0.00 63.50 61.12 2wdl n PRO 134 Cb 0.48 -2.23 -0.08 0.00 -0.02 0.00 0.00 33.50 31.66 2wdl n PRO 134 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wdl n GLU 135 N -3.71 0.93 -3.72 -0.52 -0.58 -1.26 -4.88 120.64 106.89 2wdl n GLU 135 Ca 0.10 0.06 -0.09 0.00 -0.42 0.00 0.00 57.16 56.80 2wdl n GLU 135 Cb 0.53 -1.31 -0.03 0.00 -0.57 0.00 0.00 31.44 30.06 2wdl n GLU 135 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 2wdl s PHE 136 N -2.31 -0.23 -0.10 -0.32 -0.12 -1.26 -4.49 117.98 109.16 2wdl s PHE 136 Ca -0.16 -0.13 -0.02 0.00 -0.05 0.00 0.00 56.93 56.57 2wdl s PHE 136 Cb 0.05 0.55 0.04 0.00 -0.63 0.00 0.00 43.02 43.03 2wdl s PHE 136 CO 0.41 -1.04 0.02 0.42 -0.05 0.00 0.00 175.22 174.98 2wdl s ILE 137 N -3.87 0.35 0.39 -4.49 -1.09 -1.19 -4.95 121.20 106.35 2wdl s ILE 137 Ca 0.09 -0.01 -0.24 0.00 -2.23 0.00 0.00 60.65 58.25 2wdl s ILE 137 Cb -0.03 -0.61 -0.09 0.00 -1.58 0.00 0.00 42.46 40.14 2wdl s ILE 137 CO -0.01 0.13 1.02 -1.61 -1.23 0.00 0.00 174.94 173.24 2wdl s GLU 138 N 1.97 4.26 -0.28 2.79 2.02 -1.26 -1.38 118.70 126.82 2wdl s GLU 138 Ca 0.04 1.43 -0.05 0.00 0.02 0.00 0.00 54.97 56.40 2wdl s GLU 138 Cb -0.13 -2.56 0.15 0.00 0.10 0.00 0.00 34.13 31.68 2wdl s GLU 138 CO -0.06 -0.04 0.57 0.14 0.02 0.00 0.00 175.26 175.90 2wdl s VAL 139 N -1.70 -0.92 0.31 2.63 -7.23 -1.11 -4.64 120.40 107.75 2wdl s VAL 139 Ca 0.57 0.01 0.07 0.00 -1.81 0.00 0.00 61.98 60.82 2wdl s VAL 139 Cb -0.20 -0.94 -0.02 0.00 0.56 0.00 0.00 36.38 35.78 2wdl s VAL 139 CO 0.25 -0.00 0.33 1.51 -0.31 0.00 0.00 175.10 176.87 2wdl s ASP 140 N 2.81 5.61 0.01 4.85 3.84 -1.23 -1.70 116.67 130.85 2wdl s ASP 140 Ca 0.07 -0.32 -0.12 0.00 -0.00 0.00 0.00 52.55 52.18 2wdl s ASP 140 Cb -0.13 -1.21 0.01 0.00 -1.38 0.00 0.00 42.92 40.21 2wdl s ASP 140 CO -0.19 -0.29 0.25 0.54 -0.00 0.00 0.00 175.17 175.48 2wdl s VAL 141 N -2.21 0.08 0.00 2.11 0.11 -1.24 -4.97 120.40 114.28 2wdl s VAL 141 Ca 0.40 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.80 2wdl s VAL 141 Cb -0.07 -0.69 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 2wdl s VAL 141 CO 0.28 -0.36 0.00 -1.20 -3.33 0.00 0.00 175.10 170.49 2wdl n SER 142 N 1.07 0.00 -4.16 3.54 7.64 -1.26 -3.80 113.62 116.65 2wdl n SER 142 Ca -0.21 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.28 2wdl n SER 142 Cb 0.57 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.69 2wdl n SER 142 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2wdl s GLY 143 N 0.00 2.54 -0.95 0.23 0.00 -1.26 -4.37 107.32 103.53 2wdl s GLY 143 Ca 0.00 -3.27 -0.21 0.00 0.00 0.00 0.00 44.72 41.24 2wdl s GLY 143 CO 0.00 1.14 1.24 -2.27 0.00 0.00 0.00 173.10 173.21 2wdl s LEU 144 N -0.00 4.42 0.60 0.66 1.98 -0.92 -4.61 118.68 120.80 2wdl s LEU 144 Ca 0.17 -1.75 -0.04 0.00 -2.89 0.00 0.00 54.13 49.62 2wdl s LEU 144 Cb -0.18 -2.47 0.02 0.00 0.66 0.00 0.00 46.19 44.23 2wdl s LEU 144 CO -0.05 -1.26 0.88 -0.70 -1.89 0.00 0.00 176.35 173.34 2wdl s GLU 145 N 3.64 2.72 -0.81 1.98 2.56 -1.26 -1.58 118.70 125.96 2wdl s GLU 145 Ca 0.37 -0.22 -0.24 0.00 0.00 0.00 0.00 54.97 54.88 2wdl s GLU 145 Cb -0.04 -2.31 -0.18 0.00 2.00 0.00 0.00 34.13 33.60 2wdl s GLU 145 CO -0.08 -0.78 2.45 0.44 -0.56 0.00 0.00 175.26 176.73 2wdl n ILE 146 N -2.57 -0.03 0.00 -3.70 -5.35 -1.26 -3.73 119.36 102.72 2wdl n ILE 146 Ca 0.05 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 2wdl n ILE 146 Cb 0.59 -1.38 0.00 0.00 -1.74 0.00 0.00 39.64 37.11 2wdl n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wdl n GLY 147 N 6.22 -1.98 3.58 3.28 0.00 -1.25 -5.01 105.19 110.02 2wdl n GLY 147 Ca 0.54 0.66 -0.09 0.00 0.00 0.00 0.00 46.02 47.14 2wdl n GLY 147 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2wdl s ASP 148 N 0.00 -0.12 0.00 1.61 1.47 -1.24 -4.94 116.67 113.44 2wdl s ASP 148 Ca 0.00 -0.82 0.00 0.00 1.18 0.00 0.00 52.55 52.91 2wdl s ASP 148 Cb 0.00 0.58 0.00 0.00 -0.34 0.00 0.00 42.92 43.16 2wdl s ASP 148 CO 0.00 -1.12 0.00 -1.54 0.68 0.00 0.00 175.17 173.19 2wdl n SER 149 N -0.37 0.00 -3.05 2.11 3.41 -1.26 -4.72 113.62 109.74 2wdl n SER 149 Ca -0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.49 2wdl n SER 149 Cb 0.62 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.59 2wdl n SER 149 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2wdl s LEU 150 N 0.00 -0.02 0.00 1.04 -0.00 -1.26 -5.13 118.68 113.31 2wdl s LEU 150 Ca 0.00 -1.08 0.00 0.00 -0.00 0.00 0.00 54.13 53.05 2wdl s LEU 150 Cb 0.00 2.83 0.00 0.00 -0.00 0.00 0.00 46.19 49.02 2wdl s LEU 150 CO 0.00 -1.65 0.00 0.00 -0.00 0.00 0.00 176.35 174.70 2wdl n HIS 151 N -0.52 -0.63 -3.47 3.48 1.44 -1.26 -3.58 115.22 110.67 2wdl n HIS 151 Ca -0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.63 2wdl n HIS 151 Cb 0.60 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.71 2wdl n HIS 151 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wdl n ALA 152 N -3.00 0.00 -1.15 1.59 0.00 -1.17 -4.29 120.51 112.49 2wdl n ALA 152 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2wdl n ALA 152 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2wdl n ALA 152 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wdl n SER 153 N 1.03 5.81 -2.26 0.00 2.88 -1.26 -4.61 113.62 115.21 2wdl n SER 153 Ca 0.00 -2.80 -0.25 0.00 -1.33 0.00 0.00 58.87 54.49 2wdl n SER 153 Cb 0.00 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.16 2wdl n SER 153 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2wdl n ASP 154 N 1.64 6.70 -4.26 -3.46 10.43 -1.26 -4.93 116.55 121.41 2wdl n ASP 154 Ca 0.41 -3.27 -0.24 0.00 2.57 0.00 0.00 54.79 54.27 2wdl n ASP 154 Cb 0.72 -1.12 -0.13 0.00 1.84 0.00 0.00 41.12 42.43 2wdl n ASP 154 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2wdl s LEU 155 N -2.37 2.25 -0.02 0.64 1.02 -1.26 -4.99 118.68 113.95 2wdl s LEU 155 Ca 0.48 -0.62 -0.04 0.00 0.02 0.00 0.00 54.13 53.97 2wdl s LEU 155 Cb 0.35 -0.88 -0.02 0.00 0.02 0.00 0.00 46.19 45.66 2wdl s LEU 155 CO -0.12 0.08 0.34 0.50 0.02 0.00 0.00 176.35 177.16 2wdl h LYS 156 N 4.36 -0.13 -5.01 1.70 3.64 -1.92 -3.50 116.57 115.72 2wdl h LYS 156 Ca -0.44 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 2wdl h LYS 156 Cb 1.17 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.98 2wdl h LYS 156 CO 0.41 -0.08 -0.72 1.47 -2.27 0.00 0.00 179.45 178.25 2wdl n LEU 157 N -3.03 -4.62 -4.31 5.20 -0.00 -1.26 -4.90 117.00 104.09 2wdl n LEU 157 Ca -0.02 1.86 -0.34 0.00 -0.00 0.00 0.00 56.01 57.52 2wdl n LEU 157 Cb 0.05 -2.48 0.11 0.00 -0.00 0.00 0.00 43.42 41.09 2wdl n LEU 157 CO 0.04 -2.95 -0.44 -0.81 -0.00 0.00 0.00 177.39 173.23 2wdl n PRO 158 N 2.02 -0.35 -0.23 1.47 -0.04 -1.26 -4.85 135.00 131.75 2wdl n PRO 158 Ca -0.13 -0.07 -0.18 0.00 -0.04 0.00 0.00 63.50 63.08 2wdl n PRO 158 Cb 0.20 -1.64 0.17 0.00 -0.04 0.00 0.00 33.50 32.19 2wdl n PRO 158 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2wdl n PRO 159 N -0.77 -2.92 -1.10 0.54 -0.02 -1.26 -3.40 135.00 126.07 2wdl n PRO 159 Ca 0.04 -0.85 -0.04 0.00 -2.02 0.00 0.00 63.50 60.64 2wdl n PRO 159 Cb 0.55 -1.25 -0.02 0.00 -0.02 0.00 0.00 33.50 32.77 2wdl n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdl n GLY 160 N -2.96 0.51 2.91 -1.23 0.00 -1.26 -4.96 105.19 98.20 2wdl n GLY 160 Ca 0.08 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 2wdl n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdl s VAL 161 N -1.67 -0.07 0.18 1.61 1.01 -1.22 -3.76 120.40 116.49 2wdl s VAL 161 Ca 0.00 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.22 2wdl s VAL 161 Cb 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 2wdl s VAL 161 CO 0.00 0.08 -0.05 -1.83 0.00 0.00 0.00 175.10 173.30 2wdl s GLU 162 N 1.29 1.18 0.04 2.72 -1.05 -1.22 -4.94 118.70 116.72 2wdl s GLU 162 Ca -0.08 -1.55 -0.06 0.00 -0.15 0.00 0.00 54.97 53.13 2wdl s GLU 162 Cb -0.12 -0.58 -0.05 0.00 -0.44 0.00 0.00 34.13 32.95 2wdl s GLU 162 CO -0.06 -0.02 0.30 -0.48 0.95 0.00 0.00 175.26 175.95 2wdl s LEU 163 N -3.23 4.35 -0.06 1.83 0.05 -1.26 -2.01 118.68 118.36 2wdl s LEU 163 Ca 0.22 0.57 0.14 0.00 0.05 0.00 0.00 54.13 55.11 2wdl s LEU 163 Cb 0.04 -2.83 0.51 0.00 -2.05 0.00 0.00 46.19 41.86 2wdl s LEU 163 CO 0.04 0.20 1.39 0.00 -0.55 0.00 0.00 176.35 177.44 2wdl n ALA 164 N 0.86 2.79 -2.76 1.48 0.00 0.33 -4.80 120.51 118.41 2wdl n ALA 164 Ca -0.09 -1.08 -0.33 0.00 0.00 0.00 0.00 53.44 51.94 2wdl n ALA 164 Cb 0.52 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 2wdl n ALA 164 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wdl s VAL 165 N -1.63 1.04 0.00 0.00 1.01 -1.26 -4.96 120.40 114.61 2wdl s VAL 165 Ca 0.37 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.38 2wdl s VAL 165 Cb 0.22 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.59 2wdl s VAL 165 CO 0.20 0.00 0.11 -1.20 0.00 0.00 0.00 175.10 174.21 2wdl n SER 166 N -1.35 0.00 -4.78 3.32 7.64 -1.26 -4.91 113.62 112.27 2wdl n SER 166 Ca -0.20 0.11 -0.36 0.00 1.01 0.00 0.00 58.87 59.42 2wdl n SER 166 Cb 0.67 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.81 2wdl n SER 166 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2wdl s PRO 167 N -0.79 4.39 0.00 1.43 0.04 -1.26 -5.07 135.00 133.73 2wdl s PRO 167 Ca 0.00 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2wdl s PRO 167 Cb 0.00 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.89 2wdl s PRO 167 CO 0.00 0.08 0.00 -1.91 0.04 0.00 0.00 177.00 175.21 2wdl n GLU 168 N 0.22 0.00 -2.05 4.56 4.07 -1.26 -4.63 120.64 121.55 2wdl n GLU 168 Ca 0.03 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.72 2wdl n GLU 168 Cb 0.50 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.85 2wdl n GLU 168 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2wdl s GLU 169 N 0.00 4.28 0.36 5.31 2.12 -1.26 -4.47 118.70 125.04 2wdl s GLU 169 Ca 0.00 2.24 -0.27 0.00 0.36 0.00 0.00 54.97 57.30 2wdl s GLU 169 Cb 0.00 -3.16 -0.12 0.00 0.26 0.00 0.00 34.13 31.11 2wdl s GLU 169 CO 0.00 -0.46 1.13 2.41 -0.54 0.00 0.00 175.26 177.80 2wdl n THR 170 N 3.19 2.20 -0.01 -1.70 -1.04 -1.26 -3.03 114.28 112.62 2wdl n THR 170 Ca 0.10 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.05 61.58 2wdl n THR 170 Cb 0.40 -1.29 -0.01 0.00 -1.82 0.00 0.00 70.33 67.62 2wdl n THR 170 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2wdl n ILE 171 N -0.01 1.04 -3.17 12.58 5.41 -1.23 -4.54 119.36 129.44 2wdl n ILE 171 Ca 0.08 0.27 0.02 0.00 1.00 0.00 0.00 62.75 64.12 2wdl n ILE 171 Cb 0.36 -1.77 -0.01 0.00 -0.71 0.00 0.00 39.64 37.51 2wdl n ILE 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wdl s ALA 172 N -2.41 -2.18 0.25 -1.39 0.00 -1.25 0.65 121.76 115.42 2wdl s ALA 172 Ca -0.10 1.38 0.05 0.00 0.00 0.00 0.00 51.96 53.30 2wdl s ALA 172 Cb 0.01 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 2wdl s ALA 172 CO 0.15 -1.55 0.34 0.00 0.00 0.00 0.00 175.76 174.70 2wdl s ALA 173 N 2.81 3.89 -0.97 0.00 0.00 -1.26 -4.57 121.76 121.66 2wdl s ALA 173 Ca 0.15 -1.28 -0.02 0.00 0.00 0.00 0.00 51.96 50.81 2wdl s ALA 173 Cb -0.13 -1.65 0.28 0.00 0.00 0.00 0.00 23.12 21.62 2wdl s ALA 173 CO -0.23 0.22 1.16 0.28 0.00 0.00 0.00 175.76 177.19 2wdl n VAL 174 N -1.39 4.22 -1.48 0.00 0.31 -1.24 -0.03 118.33 118.72 2wdl n VAL 174 Ca -0.08 -5.57 -0.44 0.00 -0.01 0.00 0.00 64.34 58.24 2wdl n VAL 174 Cb 0.57 -2.21 -0.01 0.00 -0.91 0.00 0.00 33.84 31.28 2wdl n VAL 174 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2wdl n VAL 175 N 1.59 1.84 -1.63 2.52 0.31 -1.17 -3.80 118.33 117.99 2wdl n VAL 175 Ca 0.26 -0.50 -0.51 0.00 -0.01 0.00 0.00 64.34 63.57 2wdl n VAL 175 Cb 0.36 -0.53 -0.06 0.00 -0.91 0.00 0.00 33.84 32.70 2wdl n VAL 175 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2wdl n PRO 176 N 0.75 1.44 0.00 5.55 -0.04 -1.26 -4.56 135.00 136.88 2wdl n PRO 176 Ca 0.12 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 2wdl n PRO 176 Cb 0.34 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 2wdl n PRO 176 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2wdl n PRO 177 N 3.49 2.96 -3.50 0.54 -0.04 -1.26 -4.94 135.00 132.25 2wdl n PRO 177 Ca 0.20 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.36 2wdl n PRO 177 Cb 0.21 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.59 2wdl n PRO 177 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wdl n GLU 178 N 0.00 2.58 0.00 0.54 1.02 -1.26 -5.11 120.64 118.41 2wdl n GLU 178 Ca 0.00 -4.61 0.00 0.00 -0.02 0.00 0.00 57.16 52.53 2wdl n GLU 178 Cb 0.00 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.12 2wdl n GLU 178 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84