#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdm s GLN 3 N 0.00 2.19 -0.33 5.31 -0.21 -1.26 -4.63 119.66 120.73 2wdm s GLN 3 Ca 0.00 -1.79 -0.01 0.00 0.02 0.00 0.00 55.36 53.58 2wdm s GLN 3 Cb 0.00 -1.97 0.11 0.00 1.00 0.00 0.00 33.01 32.15 2wdm s GLN 3 CO 0.00 -0.01 0.14 0.71 -2.12 0.00 0.00 175.29 174.00 2wdm s TYR 4 N -2.56 1.41 0.05 0.91 1.51 -1.22 -4.90 117.35 112.56 2wdm s TYR 4 Ca 0.39 -1.69 -0.01 0.00 -1.01 0.00 0.00 57.07 54.75 2wdm s TYR 4 Cb 0.02 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 2wdm s TYR 4 CO 0.21 -0.85 0.22 -0.47 -1.11 0.00 0.00 175.55 173.55 2wdm s TYR 5 N 1.45 3.52 -0.14 2.71 6.14 -1.23 -2.96 117.35 126.84 2wdm s TYR 5 Ca 0.12 0.28 -0.17 0.00 0.64 0.00 0.00 57.07 57.94 2wdm s TYR 5 Cb -0.19 -1.78 0.04 0.00 0.42 0.00 0.00 41.96 40.45 2wdm s TYR 5 CO -0.21 0.59 0.46 0.20 0.64 0.00 0.00 175.55 177.23 2wdm s GLY 6 N -2.42 -0.34 -0.36 8.97 0.00 -1.12 -4.04 107.32 108.01 2wdm s GLY 6 Ca 0.34 1.17 -0.19 0.00 0.00 0.00 0.00 44.72 46.05 2wdm s GLY 6 CO 0.27 0.98 0.54 -1.59 0.00 0.00 0.00 173.10 173.29 2wdm s THR 7 N -0.06 4.98 -0.23 0.90 2.01 -1.26 -2.10 115.64 119.88 2wdm s THR 7 Ca -0.03 0.33 -0.07 0.00 0.31 0.00 0.00 61.69 62.23 2wdm s THR 7 Cb -0.03 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 2wdm s THR 7 CO 0.02 -0.27 0.06 -0.83 -0.69 0.00 0.00 174.62 172.90 2wdm s GLY 8 N 1.79 1.79 -0.07 4.40 0.00 0.80 -4.51 107.32 111.52 2wdm s GLY 8 Ca 0.20 -1.02 -0.03 0.00 0.00 0.00 0.00 44.72 43.87 2wdm s GLY 8 CO 0.14 0.38 0.13 0.50 0.00 0.00 0.00 173.10 174.25 2wdm s ARG 9 N 1.23 0.03 -0.37 2.90 0.52 -1.26 0.21 118.95 122.21 2wdm s ARG 9 Ca 0.04 0.45 0.03 0.00 -0.52 0.00 0.00 55.73 55.74 2wdm s ARG 9 Cb -0.14 -0.27 0.15 0.00 0.52 0.00 0.00 34.95 35.21 2wdm s ARG 9 CO 0.03 -0.26 0.36 1.03 0.02 0.00 0.00 175.30 176.48 2wdm s ARG 10 N 1.85 0.65 -0.22 3.54 1.81 0.68 -4.71 118.95 122.55 2wdm s ARG 10 Ca -0.01 -0.99 -0.09 0.00 -1.72 0.00 0.00 55.73 52.91 2wdm s ARG 10 Cb -0.12 -0.82 0.04 0.00 -0.45 0.00 0.00 34.95 33.60 2wdm s ARG 10 CO -0.05 -1.21 0.18 1.17 -0.68 0.00 0.00 175.30 174.71 2wdm n LYS 11 N 4.12 -4.30 -1.53 3.54 4.81 -1.26 -3.68 118.16 119.86 2wdm n LYS 11 Ca 0.12 3.28 -0.04 0.00 -0.87 0.00 0.00 58.31 60.80 2wdm n LYS 11 Cb 0.44 -5.14 -0.01 0.00 0.02 0.00 0.00 35.03 30.34 2wdm n LYS 11 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2wdm n GLU 12 N 1.42 -1.60 -3.85 1.64 -0.58 -1.26 -4.68 120.64 111.73 2wdm n GLU 12 Ca -0.31 0.22 -0.25 0.00 -0.42 0.00 0.00 57.16 56.39 2wdm n GLU 12 Cb 0.48 -4.43 -0.17 0.00 -0.57 0.00 0.00 31.44 26.75 2wdm n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wdm s ALA 13 N -1.59 1.08 -0.07 0.62 0.00 -1.23 -0.29 121.76 120.27 2wdm s ALA 13 Ca 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 51.62 2wdm s ALA 13 Cb 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 23.12 22.26 2wdm s ALA 13 CO 0.00 -0.45 -0.22 0.08 0.00 0.00 0.00 175.76 175.17 2wdm s VAL 14 N 1.81 1.87 -0.01 0.00 1.01 -1.15 -0.23 120.40 123.71 2wdm s VAL 14 Ca 0.05 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.11 2wdm s VAL 14 Cb -0.13 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 2wdm s VAL 14 CO -0.07 0.52 -0.10 0.00 0.00 0.00 0.00 175.10 175.45 2wdm s ALA 15 N 0.08 0.82 -0.23 5.51 0.00 0.56 0.11 121.76 128.63 2wdm s ALA 15 Ca -0.09 -0.42 -0.09 0.00 0.00 0.00 0.00 51.96 51.36 2wdm s ALA 15 Cb -0.15 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 2wdm s ALA 15 CO 0.05 0.20 0.13 1.03 0.00 0.00 0.00 175.76 177.16 2wdm s ARG 16 N -0.20 4.02 -0.67 0.00 0.52 0.20 -0.14 118.95 122.67 2wdm s ARG 16 Ca 0.03 -0.30 -0.08 0.00 -0.52 0.00 0.00 55.73 54.86 2wdm s ARG 16 Cb -0.04 -3.44 0.18 0.00 0.52 0.00 0.00 34.95 32.17 2wdm s ARG 16 CO -0.00 0.10 0.55 0.08 0.02 0.00 0.00 175.30 176.05 2wdm s VAL 17 N 0.91 4.54 -0.01 3.52 1.01 -0.89 -1.43 120.40 128.05 2wdm s VAL 17 Ca 0.06 -2.56 -0.08 0.00 0.00 0.00 0.00 61.98 59.40 2wdm s VAL 17 Cb -0.13 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 2wdm s VAL 17 CO 0.03 -0.92 0.29 -0.36 0.00 0.00 0.00 175.10 174.14 2wdm s PHE 18 N 0.29 3.61 0.04 5.22 2.99 -1.07 -2.77 117.98 126.28 2wdm s PHE 18 Ca 0.15 0.67 0.02 0.00 0.00 0.00 0.00 56.93 57.77 2wdm s PHE 18 Cb -0.18 -2.06 -0.02 0.00 0.00 0.00 0.00 43.02 40.76 2wdm s PHE 18 CO -0.05 0.63 -0.07 -0.51 -0.00 0.00 0.00 175.22 175.22 2wdm s LEU 19 N -1.53 2.26 -0.21 -0.37 1.43 -1.15 -0.97 118.68 118.14 2wdm s LEU 19 Ca 0.25 -0.56 -0.04 0.00 -1.03 0.00 0.00 54.13 52.75 2wdm s LEU 19 Cb -0.14 -0.13 0.11 0.00 0.03 0.00 0.00 46.19 46.07 2wdm s LEU 19 CO 0.14 -0.23 0.35 -0.13 0.23 0.00 0.00 176.35 176.70 2wdm s ARG 20 N -1.66 0.29 0.46 1.70 3.00 -0.65 -3.40 118.95 118.69 2wdm s ARG 20 Ca -0.10 0.62 -0.22 0.00 0.00 0.00 0.00 55.73 56.03 2wdm s ARG 20 Cb -0.09 -0.36 -0.11 0.00 0.00 0.00 0.00 34.95 34.39 2wdm s ARG 20 CO -0.00 -0.51 0.67 -2.30 0.00 0.00 0.00 175.30 173.16 2wdm n PRO 21 N 5.36 0.75 -0.52 3.54 -0.02 -1.26 0.21 135.00 143.07 2wdm n PRO 21 Ca -0.05 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2wdm n PRO 21 Cb 0.50 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 2wdm n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdm n GLY 22 N 1.63 -0.12 0.33 -1.23 0.00 -0.65 -4.62 105.19 100.52 2wdm n GLY 22 Ca 0.11 -1.08 0.17 0.00 0.00 0.00 0.00 46.02 45.22 2wdm n GLY 22 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wdm h ASN 23 N 0.00 -0.19 0.00 1.61 -0.26 -1.88 -3.37 115.58 111.49 2wdm h ASN 23 Ca 0.00 0.25 0.00 0.00 -0.56 0.00 0.00 56.30 55.99 2wdm h ASN 23 Cb 0.00 0.38 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 2wdm h ASN 23 CO 0.00 -0.31 0.00 0.61 -1.06 0.00 0.00 177.43 176.67 2wdm n GLY 24 N -1.42 2.13 3.33 2.83 0.00 -1.22 -4.72 105.19 106.12 2wdm n GLY 24 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 2wdm n GLY 24 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wdm n LYS 25 N -0.43 0.16 -4.08 1.61 2.85 -1.26 -4.41 118.16 112.60 2wdm n LYS 25 Ca 0.00 0.06 -0.15 0.00 -1.05 0.00 0.00 58.31 57.18 2wdm n LYS 25 Cb 0.00 -1.18 -0.14 0.00 -0.65 0.00 0.00 35.03 33.06 2wdm n LYS 25 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2wdm s VAL 26 N -1.78 0.32 -0.04 0.58 1.01 -1.26 -3.07 120.40 116.16 2wdm s VAL 26 Ca 0.60 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2wdm s VAL 26 Cb -0.55 -0.29 0.03 0.00 0.00 0.00 0.00 36.38 35.56 2wdm s VAL 26 CO 0.62 0.03 -0.01 -0.89 0.00 0.00 0.00 175.10 174.85 2wdm s THR 27 N -0.24 0.32 -0.09 3.92 2.01 -1.06 -2.72 115.64 117.78 2wdm s THR 27 Ca 0.00 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.05 2wdm s THR 27 Cb -0.02 -0.41 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 2wdm s THR 27 CO -0.00 0.20 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.33 2wdm s VAL 28 N 1.24 3.33 -1.76 3.82 1.01 -1.10 -0.87 120.40 126.08 2wdm s VAL 28 Ca -0.06 -0.59 -0.22 0.00 0.00 0.00 0.00 61.98 61.11 2wdm s VAL 28 Cb -0.13 -2.37 0.21 0.00 0.00 0.00 0.00 36.38 34.09 2wdm s VAL 28 CO -0.02 0.56 0.61 0.59 0.00 0.00 0.00 175.10 176.84 2wdm n ASN 29 N 2.83 -2.14 -3.00 3.32 4.13 0.19 -2.04 115.26 118.54 2wdm n ASN 29 Ca -0.18 -1.10 -0.13 0.00 1.68 0.00 0.00 54.58 54.85 2wdm n ASN 29 Cb 0.53 -1.84 0.06 0.00 -1.54 0.00 0.00 39.78 36.99 2wdm n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wdm n GLY 30 N -1.10 -0.83 3.61 7.41 0.00 -1.26 -5.05 105.19 107.97 2wdm n GLY 30 Ca 0.10 0.43 -0.08 0.00 0.00 0.00 0.00 46.02 46.48 2wdm n GLY 30 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wdm s GLN 31 N -4.26 0.42 -0.28 1.61 0.74 -0.87 -5.12 119.66 111.91 2wdm s GLN 31 Ca 0.37 0.25 -0.39 0.00 0.05 0.00 0.00 55.36 55.64 2wdm s GLN 31 Cb -0.05 0.20 -0.14 0.00 1.10 0.00 0.00 33.01 34.12 2wdm s GLN 31 CO 0.63 -0.10 1.86 -3.47 -0.55 0.00 0.00 175.29 173.66 2wdm n ASP 32 N 1.24 2.45 -0.11 6.67 -0.08 -1.26 -2.69 116.55 122.76 2wdm n ASP 32 Ca -0.09 0.93 -0.05 0.00 -1.51 0.00 0.00 54.79 54.06 2wdm n ASP 32 Cb 0.57 -1.19 -0.04 0.00 2.34 0.00 0.00 41.12 42.81 2wdm n ASP 32 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2wdm h PHE 33 N 8.53 -0.72 0.00 -0.67 3.57 -1.86 0.21 116.94 125.99 2wdm h PHE 33 Ca -0.42 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.12 2wdm h PHE 33 Cb 1.32 0.35 0.00 0.00 2.79 0.00 0.00 35.95 40.41 2wdm h PHE 33 CO 0.83 -0.18 0.00 0.09 -2.23 0.00 0.00 178.31 176.82 2wdm n ASN 34 N -3.84 1.00 0.00 0.41 4.13 -1.26 -1.21 115.26 114.49 2wdm n ASN 34 Ca -0.00 -0.67 0.00 0.00 1.68 0.00 0.00 54.58 55.59 2wdm n ASN 34 Cb 0.12 -0.17 0.00 0.00 -1.54 0.00 0.00 39.78 38.20 2wdm n ASN 34 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2wdm n GLU 35 N 0.83 2.24 0.12 3.52 2.13 0.60 -4.29 120.64 125.80 2wdm n GLU 35 Ca 0.00 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.86 2wdm n GLU 35 Cb 0.17 -0.53 0.02 0.00 0.27 0.00 0.00 31.44 31.36 2wdm n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 2wdm h TYR 36 N 0.00 0.00 -0.03 4.31 3.20 0.24 -3.24 116.97 121.45 2wdm h TYR 36 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2wdm h TYR 36 Cb 0.04 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.31 2wdm h TYR 36 CO 0.00 0.38 0.00 1.19 -1.64 0.00 0.00 178.16 178.09 2wdm n PHE 37 N -3.07 0.10 -1.91 -3.82 0.99 -0.97 -5.03 117.46 103.75 2wdm n PHE 37 Ca -0.01 -0.89 -0.42 0.00 -0.00 0.00 0.00 57.45 56.13 2wdm n PHE 37 Cb 0.71 -0.15 -0.03 0.00 -1.00 0.00 0.00 39.48 39.01 2wdm n PHE 37 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 2wdm s GLN 38 N -2.51 4.19 0.00 -1.08 -0.44 -1.23 -2.26 119.66 116.33 2wdm s GLN 38 Ca 0.27 2.35 0.00 0.00 -2.50 0.00 0.00 55.36 55.48 2wdm s GLN 38 Cb 0.23 -3.62 0.00 0.00 -1.64 0.00 0.00 33.01 27.98 2wdm s GLN 38 CO 0.03 -0.75 0.00 0.41 0.50 0.00 0.00 175.29 175.48 2wdm n GLY 39 N 4.03 3.11 3.56 2.59 0.00 -1.26 -4.98 105.19 112.23 2wdm n GLY 39 Ca 0.16 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 2wdm n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wdm s LEU 40 N 0.00 3.12 0.00 0.99 1.43 -0.96 -4.76 118.68 118.51 2wdm s LEU 40 Ca 0.00 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2wdm s LEU 40 Cb 0.00 -2.53 0.08 0.00 0.03 0.00 0.00 46.19 43.76 2wdm s LEU 40 CO 0.00 -3.25 0.32 0.52 0.23 0.00 0.00 176.35 174.17 2wdm n VAL 41 N 8.24 0.00 0.32 -1.59 0.31 -1.26 -0.99 118.33 123.36 2wdm n VAL 41 Ca 0.40 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.78 2wdm n VAL 41 Cb 0.48 -0.60 -0.07 0.00 -0.91 0.00 0.00 33.84 32.74 2wdm n VAL 41 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wdm n ARG 42 N -0.66 2.15 -0.36 5.55 0.63 -1.26 -4.62 116.66 118.08 2wdm n ARG 42 Ca 0.01 -0.04 -0.03 0.00 -0.92 0.00 0.00 57.85 56.87 2wdm n ARG 42 Cb 0.00 -1.12 0.10 0.00 0.45 0.00 0.00 32.46 31.89 2wdm n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdm h ALA 43 N 1.37 1.23 0.00 5.13 0.00 -1.37 -2.59 119.26 123.04 2wdm h ALA 43 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wdm h ALA 43 Cb 0.37 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2wdm h ALA 43 CO 0.00 0.65 0.00 1.33 0.00 0.00 0.00 179.25 181.23 2wdm n VAL 44 N -4.39 0.00 -0.01 0.00 0.24 -1.26 -2.19 118.33 110.73 2wdm n VAL 44 Ca 0.11 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.20 2wdm n VAL 44 Cb 0.03 -0.92 -0.14 0.00 -1.47 0.00 0.00 33.84 31.34 2wdm n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wdm h ALA 45 N 1.47 0.20 0.00 2.33 0.00 -1.81 -3.36 119.26 118.10 2wdm h ALA 45 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.80 2wdm h ALA 45 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2wdm h ALA 45 CO 0.00 0.83 0.36 0.00 0.00 0.00 0.00 179.25 180.43 2wdm n ALA 46 N -3.00 0.46 0.01 0.00 0.00 -0.93 0.11 120.51 117.15 2wdm n ALA 46 Ca -0.26 0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.30 2wdm n ALA 46 Cb 0.88 -0.53 -0.11 0.00 0.00 0.00 0.00 19.45 19.68 2wdm n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wdm n LEU 47 N -1.67 0.35 -0.33 0.00 4.32 -1.26 -4.15 117.00 114.27 2wdm n LEU 47 Ca -0.00 0.14 0.27 0.00 -0.02 0.00 0.00 56.01 56.40 2wdm n LEU 47 Cb 0.37 0.07 0.52 0.00 -1.62 0.00 0.00 43.42 42.76 2wdm n LEU 47 CO 0.03 0.06 1.09 -0.08 -1.22 0.00 0.00 177.39 177.26 2wdm h GLU 48 N 0.00 0.18 -0.74 3.23 4.57 0.54 0.22 114.58 122.58 2wdm h GLU 48 Ca -0.11 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.11 2wdm h GLU 48 Cb 1.29 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.80 2wdm h GLU 48 CO 0.01 0.12 0.48 -1.00 -1.18 0.00 0.00 179.01 177.44 2wdm h PRO 49 N 0.18 0.81 0.00 0.92 0.13 -1.78 0.15 132.00 132.41 2wdm h PRO 49 Ca 0.78 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.86 2wdm h PRO 49 Cb 1.91 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.86 2wdm h PRO 49 CO -0.68 0.54 0.00 1.28 -0.23 0.00 0.00 178.00 178.91 2wdm n LEU 50 N -4.47 0.00 -1.09 1.56 4.77 0.76 -1.86 117.00 116.68 2wdm n LEU 50 Ca 0.10 0.17 0.09 0.00 -0.03 0.00 0.00 56.01 56.34 2wdm n LEU 50 Cb 0.17 -0.17 0.26 0.00 -2.33 0.00 0.00 43.42 41.36 2wdm n LEU 50 CO 0.34 -0.07 0.72 0.54 -1.33 0.00 0.00 177.39 177.59 2wdm n ARG 51 N -1.17 2.90 0.00 3.23 1.74 0.54 -0.68 116.66 123.22 2wdm n ARG 51 Ca 0.11 -2.46 0.00 0.00 -0.77 0.00 0.00 57.85 54.72 2wdm n ARG 51 Cb 0.11 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 2wdm n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wdm n ALA 52 N 1.10 2.06 -0.14 7.54 0.00 -0.78 -3.12 120.51 127.17 2wdm n ALA 52 Ca 0.20 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2wdm n ALA 52 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2wdm n ALA 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wdm n VAL 53 N -0.22 0.00 0.00 0.00 0.24 -1.23 -4.99 118.33 112.13 2wdm n VAL 53 Ca 0.00 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 2wdm n VAL 53 Cb 0.15 1.14 0.00 0.00 -1.47 0.00 0.00 33.84 33.66 2wdm n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2wdm n ASP 54 N -0.39 0.00 -4.58 -1.34 8.00 -0.37 -5.05 116.55 112.82 2wdm n ASP 54 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 2wdm n ASP 54 Cb 0.03 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 2wdm n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wdm s ALA 55 N -0.50 3.10 -0.35 2.24 0.00 0.14 -4.61 121.76 121.78 2wdm s ALA 55 Ca 0.00 -2.79 0.23 0.00 0.00 0.00 0.00 51.96 49.40 2wdm s ALA 55 Cb 0.00 -4.65 0.04 0.00 0.00 0.00 0.00 23.12 18.52 2wdm s ALA 55 CO 0.00 -3.55 1.05 -0.11 0.00 0.00 0.00 175.76 173.15 2wdm n LEU 56 N 9.15 0.73 -0.53 0.00 0.00 -1.24 -4.33 117.00 120.78 2wdm n LEU 56 Ca 0.48 0.24 0.00 0.00 0.00 0.00 0.00 56.01 56.72 2wdm n LEU 56 Cb 0.46 -0.08 -0.00 0.00 0.00 0.00 0.00 43.42 43.80 2wdm n LEU 56 CO 0.75 -0.12 0.25 0.61 0.00 0.00 0.00 177.39 178.88 2wdm n GLY 57 N 1.24 0.64 0.11 -3.96 0.00 -1.26 -4.86 105.19 97.10 2wdm n GLY 57 Ca 0.01 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2wdm n GLY 57 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wdm h ARG 58 N 0.03 0.00 -4.76 1.61 3.08 -1.75 -3.28 114.38 109.31 2wdm h ARG 58 Ca -0.01 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.78 2wdm h ARG 58 Cb 1.31 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.21 2wdm h ARG 58 CO -0.00 0.00 -0.71 -0.06 -1.07 0.00 0.00 179.97 178.13 2wdm s PHE 59 N -3.15 0.97 -0.43 3.04 0.40 -1.26 -1.64 117.98 115.91 2wdm s PHE 59 Ca 0.08 -0.84 -0.05 0.00 -0.60 0.00 0.00 56.93 55.52 2wdm s PHE 59 Cb 0.11 -0.54 0.11 0.00 0.51 0.00 0.00 43.02 43.21 2wdm s PHE 59 CO 0.66 -0.09 0.25 -0.51 0.70 0.00 0.00 175.22 176.23 2wdm s ASP 60 N -2.94 5.42 -0.67 1.36 1.01 0.57 -3.39 116.67 118.03 2wdm s ASP 60 Ca 0.11 -1.97 -0.25 0.00 0.71 0.00 0.00 52.55 51.15 2wdm s ASP 60 Cb 0.03 -1.89 0.05 0.00 1.01 0.00 0.00 42.92 42.12 2wdm s ASP 60 CO -0.03 -0.59 1.09 0.00 0.21 0.00 0.00 175.17 175.85 2wdm s ALA 61 N 1.22 2.98 -0.93 5.23 0.00 -1.17 -1.63 121.76 127.46 2wdm s ALA 61 Ca 0.07 -1.51 -0.21 0.00 0.00 0.00 0.00 51.96 50.31 2wdm s ALA 61 Cb -0.24 -4.00 0.10 0.00 0.00 0.00 0.00 23.12 18.98 2wdm s ALA 61 CO -0.03 -2.89 1.21 -0.47 0.00 0.00 0.00 175.76 173.58 2wdm s TYR 62 N 4.71 2.89 0.13 0.00 5.04 -0.14 -2.55 117.35 127.42 2wdm s TYR 62 Ca 0.29 -1.13 0.03 0.00 -2.44 0.00 0.00 57.07 53.83 2wdm s TYR 62 Cb -0.12 -4.42 -0.04 0.00 0.35 0.00 0.00 41.96 37.73 2wdm s TYR 62 CO 0.14 -1.65 0.15 0.42 -1.34 0.00 0.00 175.55 173.27 2wdm s ILE 63 N 3.56 4.74 -0.24 3.14 1.01 -0.05 -2.60 121.20 130.75 2wdm s ILE 63 Ca 0.36 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 2wdm s ILE 63 Cb -0.04 -3.37 0.13 0.00 0.01 0.00 0.00 42.46 39.19 2wdm s ILE 63 CO -0.08 -0.01 0.36 -0.89 0.00 0.00 0.00 174.94 174.33 2wdm s THR 64 N -1.61 -0.58 -0.02 2.92 2.01 -0.51 -0.64 115.64 117.21 2wdm s THR 64 Ca 0.31 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.24 2wdm s THR 64 Cb -0.11 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 2wdm s THR 64 CO 0.24 -0.14 -0.04 0.54 -0.69 0.00 0.00 174.62 174.53 2wdm s VAL 65 N 2.52 3.88 -0.12 3.82 0.11 -1.26 0.61 120.40 129.97 2wdm s VAL 65 Ca 0.12 -0.61 -0.05 0.00 -2.93 0.00 0.00 61.98 58.51 2wdm s VAL 65 Cb -0.15 -2.68 0.06 0.00 -1.53 0.00 0.00 36.38 32.08 2wdm s VAL 65 CO -0.16 0.45 0.26 -0.13 -3.33 0.00 0.00 175.10 172.19 2wdm s ARG 66 N -1.28 0.16 0.00 1.54 0.52 0.31 -4.86 118.95 115.34 2wdm s ARG 66 Ca 0.16 0.69 0.00 0.00 -0.52 0.00 0.00 55.73 56.06 2wdm s ARG 66 Cb -0.11 -0.07 0.00 0.00 0.52 0.00 0.00 34.95 35.29 2wdm s ARG 66 CO 0.07 -0.25 0.00 0.41 0.02 0.00 0.00 175.30 175.54 2wdm n GLY 67 N 5.05 2.91 0.93 -3.53 0.00 -1.26 -2.91 105.19 106.38 2wdm n GLY 67 Ca -0.11 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2wdm n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdm n GLY 68 N 1.02 0.67 3.26 -0.02 0.00 0.60 -3.52 105.19 107.20 2wdm n GLY 68 Ca 0.00 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.17 2wdm n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdm s GLY 69 N 0.00 1.14 0.31 -0.02 0.00 -1.26 -4.97 107.32 102.53 2wdm s GLY 69 Ca 0.00 -1.09 0.19 0.00 0.00 0.00 0.00 44.72 43.82 2wdm s GLY 69 CO 0.00 -1.03 1.28 0.28 0.00 0.00 0.00 173.10 173.63 2wdm n LYS 70 N 1.72 -0.04 0.07 2.90 5.02 -1.26 0.18 118.16 126.75 2wdm n LYS 70 Ca -0.18 1.10 -0.07 0.00 -2.02 0.00 0.00 58.31 57.14 2wdm n LYS 70 Cb 0.53 -2.02 -0.08 0.00 -0.02 0.00 0.00 35.03 33.44 2wdm n LYS 70 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wdm h SER 71 N 0.00 0.06 -0.12 4.39 0.87 -2.00 -2.82 113.55 113.94 2wdm h SER 71 Ca 0.70 -0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 61.05 2wdm h SER 71 Cb 1.93 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 63.87 2wdm h SER 71 CO -0.58 1.00 -0.47 1.23 -0.53 0.00 0.00 176.83 177.48 2wdm h GLY 72 N 2.65 0.59 0.60 5.77 0.00 0.15 -3.02 103.07 109.82 2wdm h GLY 72 Ca -0.03 -0.80 0.12 0.00 0.00 0.00 0.00 47.33 46.62 2wdm h GLY 72 CO 0.13 0.71 0.59 1.46 0.00 0.00 0.00 176.54 179.44 2wdm h GLN 73 N 0.16 0.83 -0.81 4.80 4.20 -0.78 -0.57 115.11 122.93 2wdm h GLN 73 Ca -0.02 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.65 2wdm h GLN 73 Cb 1.11 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.66 2wdm h GLN 73 CO 0.10 0.55 0.54 0.82 -0.67 0.00 0.00 178.83 180.17 2wdm h ILE 74 N 0.85 1.18 -0.53 2.54 2.04 -1.37 -1.55 117.51 120.68 2wdm h ILE 74 Ca 0.44 -0.37 -0.09 0.00 1.00 0.00 0.00 64.86 65.85 2wdm h ILE 74 Cb 0.52 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2wdm h ILE 74 CO -0.21 0.20 -0.01 0.44 0.00 0.00 0.00 178.15 178.57 2wdm h ASP 75 N 1.07 0.93 -0.21 1.72 3.32 -1.05 -2.41 116.42 119.80 2wdm h ASP 75 Ca 0.31 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2wdm h ASP 75 Cb -0.07 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 2wdm h ASP 75 CO -0.07 1.02 0.10 0.00 -1.72 0.00 0.00 179.24 178.56 2wdm h ALA 76 N 0.94 0.27 -0.60 3.45 0.00 -1.17 -2.06 119.26 120.09 2wdm h ALA 76 Ca 0.15 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2wdm h ALA 76 Cb 0.55 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2wdm h ALA 76 CO 0.03 -0.18 0.40 0.82 0.00 0.00 0.00 179.25 180.32 2wdm h ILE 77 N 0.21 1.00 -0.14 0.00 2.04 -1.23 0.38 117.51 119.77 2wdm h ILE 77 Ca 0.07 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 2wdm h ILE 77 Cb 0.10 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2wdm h ILE 77 CO -0.01 0.11 -0.03 0.50 0.00 0.00 0.00 178.15 178.72 2wdm h LYS 78 N 0.60 0.27 0.00 2.37 3.64 -0.96 0.78 116.57 123.26 2wdm h LYS 78 Ca 0.26 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2wdm h LYS 78 Cb 0.26 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2wdm h LYS 78 CO -0.08 0.54 0.00 1.25 -2.27 0.00 0.00 179.45 178.90 2wdm h LEU 79 N -0.02 0.00 0.15 5.20 7.12 -0.71 -3.00 115.31 124.05 2wdm h LEU 79 Ca 0.04 0.00 -0.34 0.00 0.13 0.00 0.00 57.88 57.71 2wdm h LEU 79 Cb 0.44 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.57 2wdm h LEU 79 CO 0.01 0.00 -1.70 1.23 -0.13 0.00 0.00 178.44 177.85 2wdm h GLY 80 N 3.23 0.36 0.52 3.75 0.00 0.08 -3.13 103.07 107.88 2wdm h GLY 80 Ca 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 47.33 46.38 2wdm h GLY 80 CO 0.00 0.81 -0.29 -2.22 0.00 0.00 0.00 176.54 174.84 2wdm h ILE 81 N 0.09 0.00 0.00 2.60 1.08 -0.71 -1.45 117.51 119.11 2wdm h ILE 81 Ca -0.32 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 2wdm h ILE 81 Cb 2.06 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.81 2wdm h ILE 81 CO 0.16 0.00 0.01 0.00 -0.69 0.00 0.00 178.15 177.63 2wdm n ALA 82 N -2.45 1.06 0.50 1.87 0.00 -1.17 0.10 120.51 120.43 2wdm n ALA 82 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.47 2wdm n ALA 82 Cb 0.31 -0.98 0.24 0.00 0.00 0.00 0.00 19.45 19.01 2wdm n ALA 82 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wdm h ARG 83 N 0.00 0.00 0.02 0.00 2.43 -1.21 -3.26 114.38 112.35 2wdm h ARG 83 Ca 0.00 0.00 -0.40 0.00 -0.81 0.00 0.00 59.98 58.77 2wdm h ARG 83 Cb 0.01 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 2wdm h ARG 83 CO 0.00 0.00 -2.29 0.00 -1.51 0.00 0.00 179.97 176.17 2wdm n ALA 84 N -1.88 1.19 1.12 2.80 0.00 0.12 -4.26 120.51 119.60 2wdm n ALA 84 Ca 0.04 -0.96 0.09 0.00 0.00 0.00 0.00 53.44 52.60 2wdm n ALA 84 Cb 0.46 -0.14 0.51 0.00 0.00 0.00 0.00 19.45 20.28 2wdm n ALA 84 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2wdm n LEU 85 N -3.83 0.00 0.07 0.00 -0.00 -1.09 -0.35 117.00 111.80 2wdm n LEU 85 Ca -0.46 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 55.62 2wdm n LEU 85 Cb 0.92 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.29 2wdm n LEU 85 CO 0.18 0.00 -0.16 0.55 -0.00 0.00 0.00 177.39 177.96 2wdm n VAL 86 N -0.98 0.77 -0.06 1.47 3.14 -1.23 -3.66 118.33 117.77 2wdm n VAL 86 Ca 0.13 -0.60 -0.03 0.00 -2.96 0.00 0.00 64.34 60.88 2wdm n VAL 86 Cb 0.06 -0.44 -0.01 0.00 -1.06 0.00 0.00 33.84 32.39 2wdm n VAL 86 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 2wdm h GLN 87 N 0.00 0.00 -2.13 1.45 4.15 -0.87 -3.13 115.11 114.59 2wdm h GLN 87 Ca -0.06 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.05 2wdm h GLN 87 Cb 1.21 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.82 2wdm h GLN 87 CO 0.02 0.00 0.28 0.66 -1.93 0.00 0.00 178.83 177.86 2wdm n TYR 88 N -4.52 0.58 0.00 3.99 4.02 0.02 -3.92 117.16 117.33 2wdm n TYR 88 Ca -0.05 -1.78 0.00 0.00 -0.01 0.00 0.00 57.90 56.06 2wdm n TYR 88 Cb 0.18 -1.68 0.00 0.00 -0.02 0.00 0.00 39.34 37.82 2wdm n TYR 88 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2wdm n ASN 89 N 2.36 0.00 -0.96 7.72 3.02 -1.24 -4.85 115.26 121.31 2wdm n ASN 89 Ca 0.48 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 2wdm n ASN 89 Cb 0.77 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.94 2wdm n ASN 89 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2wdm n PRO 90 N 0.00 0.28 -0.00 3.52 -0.04 -1.18 -0.79 135.00 136.79 2wdm n PRO 90 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 2wdm n PRO 90 Cb 0.00 -1.34 -0.09 0.00 -0.04 0.00 0.00 33.50 32.03 2wdm n PRO 90 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wdm n ASP 91 N 0.82 0.88 0.02 3.54 8.00 -1.26 -4.10 116.55 124.44 2wdm n ASP 91 Ca 0.00 -0.66 0.11 0.00 0.71 0.00 0.00 54.79 54.95 2wdm n ASP 91 Cb 0.14 1.15 0.11 0.00 -0.02 0.00 0.00 41.12 42.49 2wdm n ASP 91 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2wdm n TYR 92 N -1.49 0.19 0.31 1.24 4.02 0.03 -4.07 117.16 117.39 2wdm n TYR 92 Ca 0.02 0.05 0.10 0.00 -0.01 0.00 0.00 57.90 58.06 2wdm n TYR 92 Cb 0.26 -0.36 0.48 0.00 -0.02 0.00 0.00 39.34 39.70 2wdm n TYR 92 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2wdm h ARG 93 N 0.00 0.00 0.00 -0.72 9.65 -1.73 0.27 114.38 121.85 2wdm h ARG 93 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2wdm h ARG 93 Cb 0.63 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.21 2wdm h ARG 93 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 179.97 182.77 2wdm n ALA 94 N -1.76 1.72 0.31 2.80 0.00 -1.26 -2.85 120.51 119.47 2wdm n ALA 94 Ca -0.00 0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.52 2wdm n ALA 94 Cb 0.67 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 2wdm n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wdm n LYS 95 N -2.06 3.68 0.22 0.00 -0.00 0.94 -4.37 118.16 116.57 2wdm n LYS 95 Ca 0.03 -0.01 -0.09 0.00 -0.00 0.00 0.00 58.31 58.24 2wdm n LYS 95 Cb 0.23 -0.93 -0.04 0.00 -0.00 0.00 0.00 35.03 34.29 2wdm n LYS 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2wdm h LEU 96 N 0.00 -0.49 0.20 -5.58 5.85 -1.53 0.20 115.31 113.96 2wdm h LEU 96 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2wdm h LEU 96 Cb 0.22 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2wdm h LEU 96 CO 0.00 -0.30 -0.10 0.50 -0.34 0.00 0.00 178.44 178.21 2wdm h LYS 97 N -0.69 -0.26 0.01 1.25 3.64 -1.85 -0.35 116.57 118.31 2wdm h LYS 97 Ca -0.06 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2wdm h LYS 97 Cb 0.44 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2wdm h LYS 97 CO 0.10 -0.09 -0.01 -1.35 -2.27 0.00 0.00 179.45 175.83 2wdm h PRO 98 N -0.38 -0.02 -2.22 1.90 0.11 -1.76 -2.33 132.00 127.31 2wdm h PRO 98 Ca -0.03 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.98 2wdm h PRO 98 Cb 0.29 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.37 2wdm h PRO 98 CO 0.05 -0.01 -0.10 -0.11 -0.21 0.00 0.00 178.00 177.62 2wdm n LEU 99 N -2.34 3.74 -0.18 2.35 -0.00 0.69 -4.83 117.00 116.42 2wdm n LEU 99 Ca -0.00 -2.22 0.00 0.00 -0.00 0.00 0.00 56.01 53.79 2wdm n LEU 99 Cb 0.01 -0.95 0.00 0.00 -0.00 0.00 0.00 43.42 42.47 2wdm n LEU 99 CO 0.00 0.97 0.00 0.61 -0.00 0.00 0.00 177.39 178.97 2wdm n GLY 100 N 2.39 0.00 0.84 -3.96 0.00 -0.88 -4.80 105.19 98.78 2wdm n GLY 100 Ca 0.23 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.29 2wdm n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wdm n PHE 101 N 0.05 0.00 -3.67 1.61 0.99 -0.16 -5.02 117.46 111.27 2wdm n PHE 101 Ca 0.00 -0.78 -0.10 0.00 -0.00 0.00 0.00 57.45 56.58 2wdm n PHE 101 Cb 0.00 -0.16 -0.11 0.00 -1.00 0.00 0.00 39.48 38.21 2wdm n PHE 101 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 2wdm s LEU 102 N -1.37 -0.47 0.00 4.37 0.20 -1.26 -4.60 118.68 115.54 2wdm s LEU 102 Ca 0.29 0.88 0.00 0.00 0.69 0.00 0.00 54.13 55.99 2wdm s LEU 102 Cb 0.30 1.20 0.00 0.00 -0.43 0.00 0.00 46.19 47.25 2wdm s LEU 102 CO -0.08 -0.23 0.00 0.41 -0.29 0.00 0.00 176.35 176.16 2wdm n THR 103 N 5.20 0.00 0.11 3.68 -1.04 -1.26 -4.94 114.28 116.04 2wdm n THR 103 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2wdm n THR 103 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 2wdm n THR 103 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2wdm n ARG 104 N 0.00 0.01 -0.73 -2.82 5.12 -1.26 -4.84 116.66 112.14 2wdm n ARG 104 Ca 0.00 0.32 0.00 0.00 -1.93 0.00 0.00 57.85 56.24 2wdm n ARG 104 Cb 0.00 -2.11 0.00 0.00 -1.16 0.00 0.00 32.46 29.19 2wdm n ARG 104 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2wdm n ASP 105 N -1.48 -0.20 -0.25 0.55 10.43 -1.26 -4.48 116.55 119.87 2wdm n ASP 105 Ca 0.00 0.35 0.15 0.00 2.57 0.00 0.00 54.79 57.86 2wdm n ASP 105 Cb 0.65 -0.53 0.73 0.00 1.84 0.00 0.00 41.12 43.81 2wdm n ASP 105 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wdm n ALA 106 N 1.67 2.63 -1.82 2.24 0.00 -1.26 -4.79 120.51 119.18 2wdm n ALA 106 Ca 0.00 -0.33 -0.43 0.00 0.00 0.00 0.00 53.44 52.69 2wdm n ALA 106 Cb 0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.09 2wdm n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wdm s ARG 107 N -2.00 3.54 0.00 0.00 0.52 -1.26 -4.97 118.95 114.78 2wdm s ARG 107 Ca 0.43 1.95 -0.05 0.00 -0.52 0.00 0.00 55.73 57.53 2wdm s ARG 107 Cb 0.21 -4.21 -0.00 0.00 0.52 0.00 0.00 34.95 31.47 2wdm s ARG 107 CO 0.35 -1.63 0.10 0.14 0.02 0.00 0.00 175.30 174.29 2wdm s VAL 108 N 6.50 0.08 -0.18 3.52 -7.23 -1.26 -4.82 120.40 117.02 2wdm s VAL 108 Ca 0.87 -0.67 -0.39 0.00 -1.81 0.00 0.00 61.98 59.98 2wdm s VAL 108 Cb -0.31 -0.37 -0.16 0.00 0.56 0.00 0.00 36.38 36.10 2wdm s VAL 108 CO 0.35 -0.37 1.63 0.52 -0.31 0.00 0.00 175.10 176.92 2wdm n VAL 109 N 1.63 0.22 -3.80 1.32 0.31 -1.26 -4.93 118.33 111.81 2wdm n VAL 109 Ca -0.22 -0.04 -0.29 0.00 -0.01 0.00 0.00 64.34 63.78 2wdm n VAL 109 Cb 0.56 -1.11 -0.04 0.00 -0.91 0.00 0.00 33.84 32.34 2wdm n VAL 109 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2wdm s GLU 110 N 2.68 3.51 0.35 5.55 -1.05 -1.26 -5.06 118.70 123.42 2wdm s GLU 110 Ca 0.95 -0.35 -0.25 0.00 -0.15 0.00 0.00 54.97 55.17 2wdm s GLU 110 Cb -1.04 -2.93 -0.14 0.00 -0.44 0.00 0.00 34.13 29.58 2wdm s GLU 110 CO 0.60 0.51 0.66 -2.13 0.95 0.00 0.00 175.26 175.85 2wdm n ARG 111 N -0.13 0.69 -3.11 -4.83 0.63 -1.26 -4.89 116.66 103.75 2wdm n ARG 111 Ca -0.05 0.25 -0.40 0.00 -0.92 0.00 0.00 57.85 56.73 2wdm n ARG 111 Cb 0.52 -1.52 -0.06 0.00 0.45 0.00 0.00 32.46 31.86 2wdm n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2wdm s LYS 112 N -1.48 4.18 0.72 -0.14 2.20 -1.26 -4.54 119.74 119.40 2wdm s LYS 112 Ca 0.62 0.59 -0.11 0.00 -0.36 0.00 0.00 55.97 56.71 2wdm s LYS 112 Cb -0.68 -3.60 0.02 0.00 -1.51 0.00 0.00 37.83 32.06 2wdm s LYS 112 CO 0.58 -0.30 1.10 0.15 -0.36 0.00 0.00 175.35 176.52 2wdm s LYS 113 N 2.11 2.73 0.20 4.03 3.01 -1.26 -4.80 119.74 125.76 2wdm s LYS 113 Ca 0.28 0.38 -0.28 0.00 -1.01 0.00 0.00 55.97 55.34 2wdm s LYS 113 Cb -0.16 -2.02 -0.08 0.00 -1.01 0.00 0.00 37.83 34.56 2wdm s LYS 113 CO 0.10 -1.10 0.87 1.52 0.51 0.00 0.00 175.35 177.24 2wdm s TYR 114 N -3.37 3.94 -0.71 3.18 -0.00 -1.26 -3.40 117.35 115.73 2wdm s TYR 114 Ca 0.59 1.78 0.00 0.00 -0.00 0.00 0.00 57.07 59.44 2wdm s TYR 114 Cb -0.11 -2.89 0.00 0.00 -0.00 0.00 0.00 41.96 38.96 2wdm s TYR 114 CO 0.51 0.47 0.00 0.41 -0.00 0.00 0.00 175.55 176.93 2wdm n GLY 115 N 1.60 0.27 2.45 5.49 0.00 -1.26 -4.95 105.19 108.79 2wdm n GLY 115 Ca -0.03 -0.59 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 2wdm n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdm n LYS 116 N -1.99 0.71 0.00 1.61 4.76 -1.22 -4.50 118.16 117.53 2wdm n LYS 116 Ca -0.09 -2.55 0.00 0.00 -2.87 0.00 0.00 58.31 52.80 2wdm n LYS 116 Cb 0.50 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 2wdm n LYS 116 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2wdm n HIS 117 N 1.61 0.00 -2.69 2.13 8.25 -1.03 -0.39 115.22 123.10 2wdm n HIS 117 Ca 0.16 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.46 2wdm n HIS 117 Cb 0.57 -0.14 0.01 0.00 1.12 0.00 0.00 29.99 31.55 2wdm n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2wdm n LYS 118 N -1.11 1.92 0.00 -0.41 5.02 -1.25 -4.96 118.16 117.37 2wdm n LYS 118 Ca 0.00 -3.74 0.00 0.00 -2.02 0.00 0.00 58.31 52.55 2wdm n LYS 118 Cb 0.00 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 2wdm n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wdm n ALA 119 N -0.15 0.00 0.00 7.82 0.00 0.48 -3.92 120.51 124.73 2wdm n ALA 119 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2wdm n ALA 119 Cb 0.73 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.09 2wdm n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdm n ARG 120 N -1.61 0.00 -1.88 0.00 1.74 -1.26 -4.48 116.66 109.17 2wdm n ARG 120 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 2wdm n ARG 120 Cb 0.00 -0.26 -0.03 0.00 -1.02 0.00 0.00 32.46 31.15 2wdm n ARG 120 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2wdm s ARG 121 N -1.00 2.41 0.29 5.56 3.00 -1.25 -4.95 118.95 123.01 2wdm s ARG 121 Ca 0.00 0.75 -0.28 0.00 -1.00 0.00 0.00 55.73 55.20 2wdm s ARG 121 Cb 0.00 -4.53 -0.09 0.00 0.00 0.00 0.00 34.95 30.33 2wdm s ARG 121 CO 0.00 -3.04 1.01 0.00 0.00 0.00 0.00 175.30 173.27 2wdm s ALA 122 N 10.36 3.31 0.96 6.12 0.00 -1.26 -2.47 121.76 138.78 2wdm s ALA 122 Ca 0.77 0.71 -0.14 0.00 0.00 0.00 0.00 51.96 53.30 2wdm s ALA 122 Cb -0.13 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 2wdm s ALA 122 CO 0.20 0.02 0.09 -0.35 0.00 0.00 0.00 175.76 175.72 2wdm n PRO 123 N 1.02 -0.21 -0.36 0.00 -0.04 -1.26 -4.88 135.00 129.26 2wdm n PRO 123 Ca -0.00 -0.03 0.01 0.00 -0.04 0.00 0.00 63.50 63.44 2wdm n PRO 123 Cb 0.47 -1.64 0.07 0.00 -0.04 0.00 0.00 33.50 32.36 2wdm n PRO 123 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2wdm n GLN 124 N -0.61 -0.18 0.00 0.54 1.13 -1.26 -4.98 117.38 112.02 2wdm n GLN 124 Ca 0.04 1.48 0.00 0.00 -1.94 0.00 0.00 57.00 56.59 2wdm n GLN 124 Cb 0.54 -2.20 0.00 0.00 0.11 0.00 0.00 30.24 28.69 2wdm n GLN 124 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 2wdm n TYR 125 N -5.46 0.00 0.00 1.08 -0.00 -1.26 -5.05 117.16 106.47 2wdm n TYR 125 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.02 2wdm n TYR 125 Cb 0.41 -0.73 0.00 0.00 -0.00 0.00 0.00 39.34 39.02 2wdm n TYR 125 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 2wdm n SER 126 N -1.07 0.32 0.00 2.98 7.64 -1.26 -5.03 113.62 117.20 2wdm n SER 126 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2wdm n SER 126 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2wdm n SER 126 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2wdm n LYS 127 N -2.44 0.00 0.00 1.43 4.81 -1.26 -5.36 118.16 115.34 2wdm n LYS 127 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.56 2wdm n LYS 127 Cb 0.16 0.00 0.14 0.00 0.02 0.00 0.00 35.03 35.34 2wdm n LYS 127 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46