#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dv4 s VAL 2 N 0.00 2.95 -0.02 6.31 1.01 -1.26 -3.96 120.40 125.43 3dv4 s VAL 2 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.89 3dv4 s VAL 2 Cb 0.00 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.84 3dv4 s VAL 2 CO 0.00 0.18 -0.00 -0.54 0.00 0.00 0.00 175.10 174.74 3dv4 s LYS 3 N -1.89 0.20 -0.06 2.72 1.02 0.66 -4.94 119.74 117.45 3dv4 s LYS 3 Ca 0.51 0.04 0.01 0.00 0.02 0.00 0.00 55.97 56.55 3dv4 s LYS 3 Cb -0.36 -0.34 0.02 0.00 -0.52 0.00 0.00 37.83 36.63 3dv4 s LYS 3 CO 0.47 -0.08 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.24 3dv4 s LEU 4 N 0.68 1.29 -0.15 3.17 1.43 -1.26 -1.96 118.68 121.87 3dv4 s LEU 4 Ca -0.06 -0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 52.82 3dv4 s LEU 4 Cb -0.09 -0.60 0.05 0.00 0.03 0.00 0.00 46.19 45.57 3dv4 s LEU 4 CO -0.01 -0.06 0.02 -0.69 0.23 0.00 0.00 176.35 175.83 3dv4 s VAL 5 N 1.11 0.53 0.20 -1.59 1.01 -0.47 -4.10 120.40 117.09 3dv4 s VAL 5 Ca -0.07 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 3dv4 s VAL 5 Cb -0.14 -0.89 -0.07 0.00 0.00 0.00 0.00 36.38 35.28 3dv4 s VAL 5 CO -0.01 -0.02 0.49 -1.61 0.00 0.00 0.00 175.10 173.95 3dv4 s GLU 6 N 1.87 3.73 0.22 2.72 8.01 -1.26 -1.43 118.70 132.57 3dv4 s GLU 6 Ca 0.01 0.14 -0.23 0.00 0.01 0.00 0.00 54.97 54.91 3dv4 s GLU 6 Cb -0.15 -2.71 0.04 0.00 -4.31 0.00 0.00 34.13 26.99 3dv4 s GLU 6 CO -0.07 0.36 0.80 -1.54 0.01 0.00 0.00 175.26 174.83 3dv4 s SER 7 N -2.41 -0.26 0.00 -0.19 1.04 -0.51 -4.75 113.70 106.63 3dv4 s SER 7 Ca 0.45 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.41 3dv4 s SER 7 Cb -0.11 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3dv4 s SER 7 CO 0.23 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.92 3dv4 n GLY 8 N -0.45 1.63 3.60 7.32 0.00 -1.26 -1.44 105.19 114.59 3dv4 n GLY 8 Ca -0.06 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 3dv4 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dv4 s GLY 9 N -2.14 1.75 0.00 -0.02 0.00 -1.26 -4.56 107.32 101.08 3dv4 s GLY 9 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.34 3dv4 s GLY 9 CO 0.00 -1.39 0.00 0.61 0.00 0.00 0.00 173.10 172.32 3dv4 n GLY 10 N 0.14 -0.95 3.74 0.20 0.00 -0.87 -4.84 105.19 102.60 3dv4 n GLY 10 Ca -0.11 0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3dv4 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dv4 s LEU 11 N 0.00 4.06 0.00 0.99 0.20 -1.26 -0.54 118.68 122.12 3dv4 s LEU 11 Ca 0.00 0.24 0.00 0.00 0.69 0.00 0.00 54.13 55.06 3dv4 s LEU 11 Cb 0.00 -2.01 0.00 0.00 -0.43 0.00 0.00 46.19 43.75 3dv4 s LEU 11 CO 0.00 0.28 0.00 1.33 -0.29 0.00 0.00 176.35 177.67 3dv4 n VAL 12 N 2.87 0.00 -3.77 1.68 0.24 -1.05 -4.99 118.33 113.30 3dv4 n VAL 12 Ca -0.18 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.00 3dv4 n VAL 12 Cb 0.53 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.78 3dv4 n VAL 12 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3dv4 s GLN 13 N -1.73 0.23 0.40 7.34 2.00 -1.26 -2.24 119.66 124.40 3dv4 s GLN 13 Ca 0.00 0.38 -0.22 0.00 -2.00 0.00 0.00 55.36 53.53 3dv4 s GLN 13 Cb 0.00 0.03 -0.15 0.00 0.80 0.00 0.00 33.01 33.69 3dv4 s GLN 13 CO 0.00 -0.08 0.20 -2.30 -0.50 0.00 0.00 175.29 172.61 3dv4 n PRO 14 N 3.44 0.12 0.00 1.67 -0.02 -1.26 -1.35 135.00 137.60 3dv4 n PRO 14 Ca -0.17 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3dv4 n PRO 14 Cb 0.56 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 3dv4 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dv4 n GLY 15 N 2.20 2.81 3.68 -1.23 0.00 -1.23 -5.01 105.19 106.41 3dv4 n GLY 15 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3dv4 n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dv4 s GLY 16 N -1.44 1.59 0.14 -0.02 0.00 -0.46 -3.47 107.32 103.66 3dv4 s GLY 16 Ca 0.00 -0.74 0.10 0.00 0.00 0.00 0.00 44.72 44.08 3dv4 s GLY 16 CO 0.00 0.01 -0.24 -0.56 0.00 0.00 0.00 173.10 172.31 3dv4 s SER 17 N -3.87 3.03 -0.09 1.64 0.01 -1.26 -1.54 113.70 111.62 3dv4 s SER 17 Ca 0.68 -0.77 -0.05 0.00 1.31 0.00 0.00 55.95 57.12 3dv4 s SER 17 Cb -0.13 -0.20 0.03 0.00 0.21 0.00 0.00 66.02 65.94 3dv4 s SER 17 CO 0.56 0.11 0.21 -0.22 0.41 0.00 0.00 173.24 174.30 3dv4 s LEU 18 N -2.20 0.79 -0.31 2.44 2.96 -0.68 -5.02 118.68 116.66 3dv4 s LEU 18 Ca 0.13 0.43 -0.10 0.00 -0.22 0.00 0.00 54.13 54.37 3dv4 s LEU 18 Cb -0.09 0.63 -0.02 0.00 0.50 0.00 0.00 46.19 47.21 3dv4 s LEU 18 CO 0.06 -0.13 0.17 -0.60 -1.32 0.00 0.00 176.35 174.54 3dv4 s ARG 19 N 0.81 3.54 -0.07 1.98 3.52 -1.26 -1.18 118.95 126.29 3dv4 s ARG 19 Ca -0.06 -0.59 -0.05 0.00 -0.13 0.00 0.00 55.73 54.91 3dv4 s ARG 19 Cb -0.07 -3.62 -0.04 0.00 -1.56 0.00 0.00 34.95 29.66 3dv4 s ARG 19 CO -0.05 -0.35 0.14 -0.51 -0.81 0.00 0.00 175.30 173.73 3dv4 s LEU 20 N 1.67 4.30 0.07 -0.88 1.02 -0.61 -4.61 118.68 119.64 3dv4 s LEU 20 Ca 0.06 0.38 0.08 0.00 0.02 0.00 0.00 54.13 54.67 3dv4 s LEU 20 Cb -0.17 -2.27 -0.03 0.00 0.02 0.00 0.00 46.19 43.74 3dv4 s LEU 20 CO 0.08 0.34 -0.21 -0.44 0.02 0.00 0.00 176.35 176.14 3dv4 s SER 21 N -1.41 2.53 -0.35 2.29 0.01 -0.52 -1.17 113.70 115.08 3dv4 s SER 21 Ca 0.20 -0.59 -0.01 0.00 1.31 0.00 0.00 55.95 56.86 3dv4 s SER 21 Cb -0.12 -0.18 0.13 0.00 0.21 0.00 0.00 66.02 66.06 3dv4 s SER 21 CO 0.10 0.12 0.20 0.00 0.41 0.00 0.00 173.24 174.07 3dv4 s ALA 23 N 1.21 3.39 0.41 0.00 0.00 -0.51 -0.90 121.76 125.36 3dv4 s ALA 23 Ca 0.16 0.76 0.07 0.00 0.00 0.00 0.00 51.96 52.96 3dv4 s ALA 23 Cb -0.22 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.37 3dv4 s ALA 23 CO -0.06 -0.50 0.01 0.95 0.00 0.00 0.00 175.76 176.17 3dv4 s THR 24 N 1.35 1.99 0.00 0.00 -4.23 -0.62 -1.36 115.64 112.76 3dv4 s THR 24 Ca 0.57 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 3dv4 s THR 24 Cb -0.27 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.57 3dv4 s THR 24 CO 0.27 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 172.81 3dv4 n SER 25 N -0.97 0.00 0.00 3.99 3.41 -0.83 -4.87 113.62 114.34 3dv4 n SER 25 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3dv4 n SER 25 Cb 0.67 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 3dv4 n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dv4 n GLY 26 N -0.09 0.74 3.51 5.00 0.00 -1.25 -0.24 105.19 112.84 3dv4 n GLY 26 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3dv4 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dv4 s PHE 27 N -2.27 -0.39 -0.81 1.61 -0.12 -1.26 -4.29 117.98 110.44 3dv4 s PHE 27 Ca 0.00 0.21 -0.25 0.00 -0.05 0.00 0.00 56.93 56.84 3dv4 s PHE 27 Cb 0.00 0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 42.92 3dv4 s PHE 27 CO 0.00 -0.70 1.85 0.99 -0.05 0.00 0.00 175.22 177.31 3dv4 s THR 28 N -3.39 3.47 0.25 -4.49 2.01 -1.26 -4.85 115.64 107.38 3dv4 s THR 28 Ca 0.04 -0.18 -0.08 0.00 0.31 0.00 0.00 61.69 61.78 3dv4 s THR 28 Cb -0.01 -4.11 0.34 0.00 0.01 0.00 0.00 72.50 68.73 3dv4 s THR 28 CO -0.09 -1.06 1.60 0.15 -0.69 0.00 0.00 174.62 174.53 3dv4 h PHE 29 N 12.31 -0.30 0.00 4.92 3.57 -1.96 -0.01 116.94 135.47 3dv4 h PHE 29 Ca -0.03 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3dv4 h PHE 29 Cb 1.06 0.26 0.00 0.00 2.79 0.00 0.00 35.95 40.06 3dv4 h PHE 29 CO 1.16 -0.34 0.00 0.25 -2.23 0.00 0.00 178.31 177.16 3dv4 n THR 30 N -5.48 0.54 0.83 4.41 -2.24 -1.26 -2.55 114.28 108.52 3dv4 n THR 30 Ca 0.14 0.13 0.12 0.00 -2.27 0.00 0.00 64.05 62.18 3dv4 n THR 30 Cb 0.47 -0.82 0.31 0.00 -2.10 0.00 0.00 70.33 68.19 3dv4 n THR 30 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3dv4 n ASP 31 N -1.36 0.49 -4.36 3.42 8.00 -0.02 -0.84 116.55 121.89 3dv4 n ASP 31 Ca 0.07 0.09 -0.25 0.00 0.71 0.00 0.00 54.79 55.41 3dv4 n ASP 31 Cb 0.17 -0.02 -0.12 0.00 -0.02 0.00 0.00 41.12 41.14 3dv4 n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3dv4 s TYR 32 N -3.06 2.05 1.05 1.24 2.02 -1.06 -4.75 117.35 114.85 3dv4 s TYR 32 Ca 0.10 -0.41 -0.14 0.00 -0.37 0.00 0.00 57.07 56.26 3dv4 s TYR 32 Cb 0.16 -1.06 0.22 0.00 -0.40 0.00 0.00 41.96 40.88 3dv4 s TYR 32 CO 0.66 0.36 1.09 0.71 -1.57 0.00 0.00 175.55 176.80 3dv4 s TYR 33 N -1.55 1.79 -0.18 2.71 1.51 -0.16 -4.13 117.35 117.34 3dv4 s TYR 33 Ca 0.15 0.91 -0.04 0.00 -1.01 0.00 0.00 57.07 57.07 3dv4 s TYR 33 Cb -0.08 -3.28 0.09 0.00 -0.11 0.00 0.00 41.96 38.57 3dv4 s TYR 33 CO 0.07 -3.17 0.26 -1.64 -1.11 0.00 0.00 175.55 169.96 3dv4 s MET 34 N -4.99 0.20 0.14 -0.62 -1.94 -0.82 -2.25 119.30 109.02 3dv4 s MET 34 Ca 0.66 0.47 0.04 0.00 -1.71 0.00 0.00 55.69 55.16 3dv4 s MET 34 Cb -0.18 -0.63 -0.04 0.00 2.01 0.00 0.00 34.83 36.00 3dv4 s MET 34 CO 0.58 -0.51 0.12 -1.12 -0.01 0.00 0.00 175.02 174.08 3dv4 s SER 35 N 2.40 5.52 -0.17 3.03 0.01 -0.28 -1.55 113.70 122.68 3dv4 s SER 35 Ca 0.06 -0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.21 3dv4 s SER 35 Cb -0.14 -1.46 -0.01 0.00 0.21 0.00 0.00 66.02 64.62 3dv4 s SER 35 CO -0.11 0.10 -0.11 0.26 0.41 0.00 0.00 173.24 173.79 3dv4 s TRP 36 N -1.64 2.86 -0.05 2.43 0.52 0.07 -0.73 118.94 122.40 3dv4 s TRP 36 Ca 0.30 -0.83 0.03 0.00 0.02 0.00 0.00 56.10 55.62 3dv4 s TRP 36 Cb -0.11 -1.94 0.00 0.00 -1.15 0.00 0.00 33.47 30.28 3dv4 s TRP 36 CO 0.23 -0.38 -0.14 0.08 0.02 0.00 0.00 176.95 176.75 3dv4 s VAL 37 N 0.82 1.27 0.37 4.03 1.01 0.15 -0.63 120.40 127.43 3dv4 s VAL 37 Ca -0.04 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.43 3dv4 s VAL 37 Cb -0.15 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 3dv4 s VAL 37 CO 0.01 0.38 0.12 0.00 0.00 0.00 0.00 175.10 175.61 3dv4 s ARG 38 N 0.35 2.22 -0.28 2.72 1.70 -0.21 0.32 118.95 125.77 3dv4 s ARG 38 Ca -0.09 -1.74 0.02 0.00 -0.47 0.00 0.00 55.73 53.44 3dv4 s ARG 38 Cb -0.13 -2.02 0.16 0.00 -0.57 0.00 0.00 34.95 32.39 3dv4 s ARG 38 CO 0.03 0.02 0.43 -1.14 -1.08 0.00 0.00 175.30 173.55 3dv4 s GLN 39 N -3.83 0.42 0.45 3.89 0.74 -0.12 -0.67 119.66 120.54 3dv4 s GLN 39 Ca 0.38 0.25 -0.25 0.00 0.05 0.00 0.00 55.36 55.80 3dv4 s GLN 39 Cb 0.01 -0.26 -0.09 0.00 1.10 0.00 0.00 33.01 33.78 3dv4 s GLN 39 CO 0.22 -0.96 1.34 -2.30 -0.55 0.00 0.00 175.29 173.03 3dv4 n PRO 40 N 5.36 2.03 -1.62 1.67 -0.02 -1.26 -1.85 135.00 139.31 3dv4 n PRO 40 Ca 0.00 0.73 -0.55 0.00 -2.02 0.00 0.00 63.50 61.66 3dv4 n PRO 40 Cb 0.50 -2.50 -0.07 0.00 -0.02 0.00 0.00 33.50 31.41 3dv4 n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3dv4 n PRO 41 N -0.16 1.17 -2.21 0.52 -0.04 -1.26 -0.62 135.00 132.40 3dv4 n PRO 41 Ca 0.06 0.40 -0.07 0.00 -0.04 0.00 0.00 63.50 63.85 3dv4 n PRO 41 Cb 0.41 -2.21 -0.00 0.00 -0.04 0.00 0.00 33.50 31.66 3dv4 n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dv4 n GLY 42 N 4.98 0.10 2.31 0.55 0.00 -1.26 -5.03 105.19 106.85 3dv4 n GLY 42 Ca 0.31 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 3dv4 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dv4 n LYS 43 N -1.73 0.42 -1.81 1.61 5.02 0.21 -5.16 118.16 116.71 3dv4 n LYS 43 Ca -0.08 -2.40 -0.30 0.00 -2.02 0.00 0.00 58.31 53.52 3dv4 n LYS 43 Cb 0.56 1.74 0.06 0.00 -0.02 0.00 0.00 35.03 37.38 3dv4 n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dv4 s ALA 44 N -2.90 2.69 0.20 7.82 0.00 -1.26 -4.68 121.76 123.63 3dv4 s ALA 44 Ca 0.24 -0.36 -0.30 0.00 0.00 0.00 0.00 51.96 51.54 3dv4 s ALA 44 Cb 0.01 -3.03 -0.08 0.00 0.00 0.00 0.00 23.12 20.02 3dv4 s ALA 44 CO 0.17 -1.37 1.01 -0.51 0.00 0.00 0.00 175.76 175.06 3dv4 s LEU 45 N -5.50 4.56 -0.11 0.00 1.43 -1.26 -4.26 118.68 113.54 3dv4 s LEU 45 Ca 0.59 2.01 -0.00 0.00 -1.03 0.00 0.00 54.13 55.70 3dv4 s LEU 45 Cb -0.12 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.52 3dv4 s LEU 45 CO 0.52 -0.03 -0.09 -0.70 0.23 0.00 0.00 176.35 176.28 3dv4 s GLU 46 N -0.78 1.62 0.01 1.70 2.12 0.16 -4.99 118.70 118.54 3dv4 s GLU 46 Ca 0.45 -0.30 -0.30 0.00 0.36 0.00 0.00 54.97 55.18 3dv4 s GLU 46 Cb -0.27 -1.63 -0.05 0.00 0.26 0.00 0.00 34.13 32.44 3dv4 s GLU 46 CO 0.34 -0.24 1.26 -0.46 -0.54 0.00 0.00 175.26 175.61 3dv4 s TRP 47 N 1.62 3.20 -0.19 5.30 -0.00 -1.26 -1.04 118.94 126.56 3dv4 s TRP 47 Ca 0.04 1.13 0.03 0.00 -0.00 0.00 0.00 56.10 57.30 3dv4 s TRP 47 Cb -0.13 -3.50 -0.22 0.00 -0.00 0.00 0.00 33.47 29.63 3dv4 s TRP 47 CO -0.08 -1.64 0.09 1.28 -0.00 0.00 0.00 176.95 176.60 3dv4 n LEU 48 N 4.71 2.24 0.00 5.86 4.77 0.20 -4.67 117.00 130.12 3dv4 n LEU 48 Ca 0.11 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3dv4 n LEU 48 Cb 0.45 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3dv4 n LEU 48 CO 0.56 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 178.03 3dv4 n GLY 49 N 2.04 2.41 3.31 -0.72 0.00 -1.22 -0.56 105.19 110.44 3dv4 n GLY 49 Ca -0.37 -1.16 -0.19 0.00 0.00 0.00 0.00 46.02 44.31 3dv4 n GLY 49 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dv4 s PHE 50 N -2.00 1.62 -0.08 1.61 -0.12 -1.01 -0.75 117.98 117.25 3dv4 s PHE 50 Ca 0.00 -1.50 0.00 0.00 -0.05 0.00 0.00 56.93 55.38 3dv4 s PHE 50 Cb 0.00 -0.77 0.02 0.00 -0.63 0.00 0.00 43.02 41.64 3dv4 s PHE 50 CO 0.00 -0.69 -0.07 -1.50 -0.05 0.00 0.00 175.22 172.92 3dv4 s ILE 51 N -3.59 0.86 1.30 -4.49 2.07 -0.59 -1.44 121.20 115.31 3dv4 s ILE 51 Ca 0.37 -0.23 -0.20 0.00 -1.41 0.00 0.00 60.65 59.18 3dv4 s ILE 51 Cb 0.04 -0.87 0.32 0.00 0.13 0.00 0.00 42.46 42.08 3dv4 s ILE 51 CO 0.21 0.32 1.01 -0.13 -1.91 0.00 0.00 174.94 174.44 3dv4 s ARG 52 N 1.37 -1.97 0.00 3.50 0.52 0.03 -1.94 118.95 120.47 3dv4 s ARG 52 Ca -0.02 0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.39 3dv4 s ARG 52 Cb -0.14 -1.48 0.00 0.00 0.52 0.00 0.00 34.95 33.85 3dv4 s ARG 52 CO -0.04 -4.26 0.00 0.27 0.02 0.00 0.00 175.30 171.29 3dv4 n ASN 52 N -5.20 0.00 0.01 0.23 0.23 -1.26 -3.99 115.26 105.28 3dv4 n ASN 52 Ca 0.11 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 54.05 3dv4 n ASN 52 Cb 0.59 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.21 3dv4 n ASN 52 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3dv4 h LYS 52 N 0.00 -0.13 -0.11 -3.83 3.64 -1.28 -1.58 116.57 113.28 3dv4 h LYS 52 Ca 0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3dv4 h LYS 52 Cb 0.00 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3dv4 h LYS 52 CO 0.00 0.37 0.03 0.00 -2.27 0.00 0.00 179.45 177.58 3dv4 h ALA 52 N -0.28 1.84 0.00 5.00 0.00 -1.95 -2.49 119.26 121.39 3dv4 h ALA 52 Ca -0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3dv4 h ALA 52 Cb 0.56 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3dv4 h ALA 52 CO 0.02 0.13 -0.55 0.87 0.00 0.00 0.00 179.25 179.72 3dv4 h LYS 53 N 0.15 0.00 0.00 0.00 1.79 -1.93 -3.48 116.57 113.10 3dv4 h LYS 53 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3dv4 h LYS 53 Cb 0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 3dv4 h LYS 53 CO -0.00 0.39 0.00 0.41 -1.08 0.00 0.00 179.45 179.17 3dv4 n GLY 54 N 1.23 1.23 2.65 3.86 0.00 -0.94 -4.49 105.19 108.72 3dv4 n GLY 54 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 3dv4 n GLY 54 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dv4 n TYR 55 N -1.31 0.00 -1.07 1.61 0.53 -0.61 -4.96 117.16 111.36 3dv4 n TYR 55 Ca 0.00 0.00 -0.32 0.00 -1.02 0.00 0.00 57.90 56.56 3dv4 n TYR 55 Cb 0.00 -2.43 0.12 0.00 -1.03 0.00 0.00 39.34 36.00 3dv4 n TYR 55 CO 0.00 0.00 0.00 -0.08 -1.02 0.00 0.00 176.86 175.76 3dv4 s THR 56 N -2.02 2.60 0.19 -0.72 -1.32 -1.26 -4.47 115.64 108.65 3dv4 s THR 56 Ca 0.00 0.22 0.11 0.00 -1.21 0.00 0.00 61.69 60.81 3dv4 s THR 56 Cb 0.00 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.43 3dv4 s THR 56 CO 0.00 -0.24 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.26 3dv4 s VAL 57 N -2.61 2.44 0.09 5.08 1.01 -1.26 -0.79 120.40 124.36 3dv4 s VAL 57 Ca 0.66 -2.01 0.04 0.00 0.00 0.00 0.00 61.98 60.67 3dv4 s VAL 57 Cb -0.22 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 3dv4 s VAL 57 CO 0.54 -0.12 -0.10 -1.61 0.00 0.00 0.00 175.10 173.81 3dv4 s GLU 58 N -2.71 0.80 0.04 2.72 0.41 -0.52 -5.01 118.70 114.42 3dv4 s GLU 58 Ca 0.21 -1.09 -0.02 0.00 -0.41 0.00 0.00 54.97 53.67 3dv4 s GLU 58 Cb -0.08 -0.51 -0.03 0.00 -1.78 0.00 0.00 34.13 31.73 3dv4 s GLU 58 CO 0.11 0.08 -0.00 0.71 -0.49 0.00 0.00 175.26 175.66 3dv4 s TYR 59 N -2.24 0.38 0.30 1.61 2.02 -1.26 -2.39 117.35 115.76 3dv4 s TYR 59 Ca 0.03 -0.80 -0.16 0.00 -0.37 0.00 0.00 57.07 55.77 3dv4 s TYR 59 Cb -0.04 -0.28 -0.09 0.00 -0.40 0.00 0.00 41.96 41.15 3dv4 s TYR 59 CO 0.00 -0.33 0.74 -1.54 -1.57 0.00 0.00 175.55 172.85 3dv4 s SER 60 N -2.35 6.84 0.56 2.29 1.04 0.27 -4.88 113.70 117.47 3dv4 s SER 60 Ca -0.02 1.32 0.25 0.00 0.48 0.00 0.00 55.95 57.98 3dv4 s SER 60 Cb 0.01 -2.39 1.53 0.00 0.10 0.00 0.00 66.02 65.28 3dv4 s SER 60 CO -0.06 -0.15 2.10 0.00 0.98 0.00 0.00 173.24 176.10 3dv4 h ALA 61 N 2.53 1.98 -0.35 5.32 0.00 -1.94 0.20 119.26 127.01 3dv4 h ALA 61 Ca -0.48 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 3dv4 h ALA 61 Cb 1.18 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3dv4 h ALA 61 CO 0.65 -0.29 -0.08 0.66 0.00 0.00 0.00 179.25 180.19 3dv4 h SER 62 N 0.00 0.56 0.00 0.00 4.64 -1.94 -3.29 113.55 113.51 3dv4 h SER 62 Ca 0.10 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3dv4 h SER 62 Cb 0.47 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3dv4 h SER 62 CO -0.00 0.68 -0.42 1.33 -0.87 0.00 0.00 176.83 177.55 3dv4 n VAL 63 N -4.22 0.00 -1.63 0.95 0.24 -0.68 -5.00 118.33 108.00 3dv4 n VAL 63 Ca 0.01 -0.33 -0.52 0.00 -2.04 0.00 0.00 64.34 61.45 3dv4 n VAL 63 Cb 0.31 0.86 -0.06 0.00 -1.47 0.00 0.00 33.84 33.48 3dv4 n VAL 63 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3dv4 n LYS 64 N -1.22 1.28 0.00 7.34 4.81 0.62 -1.69 118.16 129.30 3dv4 n LYS 64 Ca 0.00 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 3dv4 n LYS 64 Cb 0.07 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 32.99 3dv4 n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dv4 n GLY 65 N 3.03 2.56 0.31 3.14 0.00 -1.26 -4.72 105.19 108.24 3dv4 n GLY 65 Ca 0.20 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 3dv4 n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dv4 h ARG 66 N 0.00 1.07 -6.00 1.61 3.08 -1.74 -3.44 114.38 108.96 3dv4 h ARG 66 Ca 0.00 -0.25 -0.60 0.00 0.07 0.00 0.00 59.98 59.19 3dv4 h ARG 66 Cb 0.00 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 3dv4 h ARG 66 CO 0.00 0.95 -0.43 -0.06 -1.07 0.00 0.00 179.97 179.36 3dv4 s PHE 67 N -5.33 3.50 -0.01 3.04 0.40 -0.68 -2.11 117.98 116.79 3dv4 s PHE 67 Ca -0.12 0.35 -0.02 0.00 -0.60 0.00 0.00 56.93 56.54 3dv4 s PHE 67 Cb 0.14 -1.84 0.00 0.00 0.51 0.00 0.00 43.02 41.83 3dv4 s PHE 67 CO 0.84 0.53 0.04 -0.08 0.70 0.00 0.00 175.22 177.25 3dv4 s THR 68 N -1.57 0.02 -0.16 0.64 -1.32 -0.73 -4.83 115.64 107.68 3dv4 s THR 68 Ca 0.37 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 3dv4 s THR 68 Cb -0.13 -0.11 0.00 0.00 -1.51 0.00 0.00 72.50 70.76 3dv4 s THR 68 CO 0.27 -0.07 -0.15 -0.63 -2.21 0.00 0.00 174.62 171.82 3dv4 s ILE 69 N -0.20 2.61 0.19 5.08 1.01 -1.26 -0.88 121.20 127.76 3dv4 s ILE 69 Ca -0.02 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 59.93 3dv4 s ILE 69 Cb -0.02 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 3dv4 s ILE 69 CO 0.00 0.51 -0.16 -0.44 0.00 0.00 0.00 174.94 174.85 3dv4 s SER 70 N 0.92 2.69 0.02 3.58 0.01 -1.08 -4.99 113.70 114.84 3dv4 s SER 70 Ca -0.03 -0.96 -0.03 0.00 1.31 0.00 0.00 55.95 56.24 3dv4 s SER 70 Cb -0.15 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.91 3dv4 s SER 70 CO -0.02 -0.10 0.04 0.00 0.41 0.00 0.00 173.24 173.57 3dv4 s ARG 71 N -3.29 0.40 -0.46 12.44 1.70 -1.26 -0.28 118.95 128.20 3dv4 s ARG 71 Ca 0.20 -0.56 -0.03 0.00 -0.47 0.00 0.00 55.73 54.87 3dv4 s ARG 71 Cb -0.03 0.15 0.12 0.00 -0.57 0.00 0.00 34.95 34.62 3dv4 s ARG 71 CO 0.07 -0.08 0.26 0.34 -1.08 0.00 0.00 175.30 174.81 3dv4 s ASP 72 N -1.52 5.27 0.00 -2.89 -1.08 -0.46 -4.97 116.67 111.02 3dv4 s ASP 72 Ca -0.14 -2.20 0.10 0.00 -0.52 0.00 0.00 52.55 49.79 3dv4 s ASP 72 Cb -0.08 -1.84 0.49 0.00 -1.46 0.00 0.00 42.92 40.03 3dv4 s ASP 72 CO -0.01 -0.52 1.23 0.59 0.52 0.00 0.00 175.17 176.98 3dv4 n ASN 73 N 4.38 0.00 -0.06 -0.34 4.13 -1.26 0.04 115.26 122.15 3dv4 n ASN 73 Ca -0.00 0.20 -0.01 0.00 1.68 0.00 0.00 54.58 56.44 3dv4 n ASN 73 Cb 0.41 -0.32 -0.15 0.00 -1.54 0.00 0.00 39.78 38.17 3dv4 n ASN 73 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3dv4 n SER 74 N -1.32 0.31 -0.00 6.41 3.41 -1.26 -4.52 113.62 116.65 3dv4 n SER 74 Ca 0.04 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.70 3dv4 n SER 74 Cb 0.09 1.38 -0.07 0.00 -0.26 0.00 0.00 64.21 65.35 3dv4 n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dv4 n GLN 75 N -2.50 2.18 -3.17 4.33 6.02 -0.98 -5.02 117.38 118.25 3dv4 n GLN 75 Ca -0.19 -0.04 -0.15 0.00 -0.01 0.00 0.00 57.00 56.60 3dv4 n GLN 75 Cb 0.87 -1.10 0.06 0.00 1.02 0.00 0.00 30.24 31.09 3dv4 n GLN 75 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3dv4 n SER 76 N -1.51 -4.14 -4.24 1.08 7.64 0.11 -4.80 113.62 107.74 3dv4 n SER 76 Ca 0.00 -0.38 -0.32 0.00 1.01 0.00 0.00 58.87 59.17 3dv4 n SER 76 Cb 0.21 -3.62 -0.16 0.00 -1.01 0.00 0.00 64.21 59.63 3dv4 n SER 76 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3dv4 s ILE 77 N -3.23 2.27 0.20 0.44 1.09 -1.20 -1.59 121.20 119.18 3dv4 s ILE 77 Ca 0.29 -0.94 -0.06 0.00 -1.10 0.00 0.00 60.65 58.84 3dv4 s ILE 77 Cb -0.13 -1.89 -0.06 0.00 -1.06 0.00 0.00 42.46 39.32 3dv4 s ILE 77 CO 0.50 0.55 0.47 -0.22 -0.10 0.00 0.00 174.94 176.14 3dv4 s LEU 78 N 0.41 4.19 0.06 2.97 2.96 -0.07 -1.36 118.68 127.84 3dv4 s LEU 78 Ca -0.16 0.71 0.04 0.00 -0.22 0.00 0.00 54.13 54.50 3dv4 s LEU 78 Cb -0.17 -3.47 -0.03 0.00 0.50 0.00 0.00 46.19 43.02 3dv4 s LEU 78 CO 0.07 -0.04 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.62 3dv4 s TYR 79 N -1.81 1.06 -0.32 5.38 2.02 0.61 -0.38 117.35 123.92 3dv4 s TYR 79 Ca 0.43 -0.44 -0.00 0.00 -0.37 0.00 0.00 57.07 56.69 3dv4 s TYR 79 Cb -0.11 -0.61 0.10 0.00 -0.40 0.00 0.00 41.96 40.94 3dv4 s TYR 79 CO 0.25 0.02 0.10 -1.17 -1.57 0.00 0.00 175.55 173.18 3dv4 s LEU 80 N -1.56 2.41 -0.64 -1.29 2.96 -0.32 -2.63 118.68 117.59 3dv4 s LEU 80 Ca -0.03 -1.72 -0.25 0.00 -0.22 0.00 0.00 54.13 51.91 3dv4 s LEU 80 Cb -0.09 -0.92 0.05 0.00 0.50 0.00 0.00 46.19 45.73 3dv4 s LEU 80 CO 0.02 -0.41 1.06 -1.58 -1.32 0.00 0.00 176.35 174.12 3dv4 s GLN 81 N 1.52 3.23 -0.11 1.98 2.00 -0.06 -1.58 119.66 126.64 3dv4 s GLN 81 Ca 0.10 -0.42 -0.21 0.00 -2.00 0.00 0.00 55.36 52.83 3dv4 s GLN 81 Cb -0.18 -4.15 -0.04 0.00 0.80 0.00 0.00 33.01 29.45 3dv4 s GLN 81 CO -0.23 -1.80 0.59 -1.64 -0.50 0.00 0.00 175.29 171.70 3dv4 s MET 82 N 4.56 4.36 -0.02 1.67 -1.94 -0.33 -1.78 119.30 125.83 3dv4 s MET 82 Ca 0.30 0.64 0.07 0.00 -1.71 0.00 0.00 55.69 54.99 3dv4 s MET 82 Cb -0.12 -3.46 -0.02 0.00 2.01 0.00 0.00 34.83 33.24 3dv4 s MET 82 CO 0.15 0.07 -0.22 -0.80 -0.01 0.00 0.00 175.02 174.21 3dv4 s ASN 82 N 0.77 2.59 0.52 3.03 0.01 -0.90 -1.69 114.94 119.28 3dv4 s ASN 82 Ca 0.31 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 52.06 3dv4 s ASN 82 Cb -0.16 -0.29 0.00 0.00 0.41 0.00 0.00 41.25 41.21 3dv4 s ASN 82 CO 0.13 0.27 0.00 0.41 -1.51 0.00 0.00 177.10 176.41 3dv4 n THR 82 N 2.53 -0.39 0.15 1.60 -1.04 -0.59 -4.65 114.28 111.91 3dv4 n THR 82 Ca -0.15 0.66 0.00 0.00 -2.04 0.00 0.00 64.05 62.51 3dv4 n THR 82 Cb 0.52 -1.12 0.25 0.00 -1.82 0.00 0.00 70.33 68.16 3dv4 n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dv4 h ALA 84 N -1.33 1.16 0.00 2.41 0.00 -1.99 -3.25 119.26 116.25 3dv4 h ALA 84 Ca -0.13 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 3dv4 h ALA 84 Cb 1.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3dv4 h ALA 84 CO 0.06 0.63 -1.18 -0.85 0.00 0.00 0.00 179.25 177.91 3dv4 n GLU 85 N -3.94 0.61 0.14 0.00 0.28 -1.26 -3.95 120.64 112.52 3dv4 n GLU 85 Ca -0.01 0.13 0.13 0.00 -0.16 0.00 0.00 57.16 57.24 3dv4 n GLU 85 Cb 0.52 -1.80 0.47 0.00 1.43 0.00 0.00 31.44 32.05 3dv4 n GLU 85 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3dv4 h ASP 86 N 0.00 0.00 -3.15 -1.84 5.19 -1.97 -3.45 116.42 111.20 3dv4 h ASP 86 Ca -0.05 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.81 3dv4 h ASP 86 Cb 1.16 0.00 0.09 0.00 0.18 0.00 0.00 39.33 40.76 3dv4 h ASP 86 CO 0.01 0.00 0.72 -1.20 -3.12 0.00 0.00 179.24 175.65 3dv4 n SER 87 N -2.34 3.30 0.00 6.45 7.64 -1.25 -4.92 113.62 122.49 3dv4 n SER 87 Ca 0.03 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.08 3dv4 n SER 87 Cb 0.32 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.99 3dv4 n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dv4 n ALA 88 N 1.57 0.00 -2.57 -0.43 0.00 -0.55 -4.37 120.51 114.17 3dv4 n ALA 88 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.13 3dv4 n ALA 88 Cb 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.74 3dv4 n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3dv4 s THR 89 N -2.00 5.00 -0.26 0.00 2.01 -0.77 -0.82 115.64 118.80 3dv4 s THR 89 Ca 0.00 1.18 -0.04 0.00 0.31 0.00 0.00 61.69 63.14 3dv4 s THR 89 Cb 0.00 -3.91 0.01 0.00 0.01 0.00 0.00 72.50 68.61 3dv4 s THR 89 CO 0.00 0.39 -0.00 -0.31 -0.69 0.00 0.00 174.62 174.00 3dv4 s TYR 90 N 0.07 3.07 -0.12 4.92 2.02 -0.69 -0.95 117.35 125.67 3dv4 s TYR 90 Ca 0.30 -1.17 -0.03 0.00 -0.37 0.00 0.00 57.07 55.81 3dv4 s TYR 90 Cb -0.17 -2.15 -0.03 0.00 -0.40 0.00 0.00 41.96 39.21 3dv4 s TYR 90 CO 0.16 -0.62 -0.02 0.71 -1.57 0.00 0.00 175.55 174.20 3dv4 s TYR 91 N 1.43 3.07 0.02 2.71 2.02 0.15 -1.97 117.35 124.78 3dv4 s TYR 91 Ca 0.03 -0.04 -0.01 0.00 -0.37 0.00 0.00 57.07 56.67 3dv4 s TYR 91 Cb -0.16 -1.86 -0.04 0.00 -0.40 0.00 0.00 41.96 39.49 3dv4 s TYR 91 CO -0.01 0.22 0.18 0.00 -1.57 0.00 0.00 175.55 174.37 3dv4 s ALA 93 N -1.38 -0.86 0.09 0.00 0.00 0.09 -2.01 121.76 117.69 3dv4 s ALA 93 Ca 0.30 0.85 -0.31 0.00 0.00 0.00 0.00 51.96 52.80 3dv4 s ALA 93 Cb -0.13 -0.44 -0.08 0.00 0.00 0.00 0.00 23.12 22.48 3dv4 s ALA 93 CO 0.22 -0.19 1.41 0.50 0.00 0.00 0.00 175.76 177.70 3dv4 s ARG 94 N -0.14 4.30 0.43 0.00 3.52 0.05 -1.12 118.95 125.99 3dv4 s ARG 94 Ca -0.03 2.08 0.04 0.00 -0.13 0.00 0.00 55.73 57.69 3dv4 s ARG 94 Cb -0.03 -3.33 -0.02 0.00 -1.56 0.00 0.00 34.95 30.02 3dv4 s ARG 94 CO 0.01 -0.49 0.14 0.34 -0.81 0.00 0.00 175.30 174.50 3dv4 s ASP 95 N 1.33 2.92 0.00 -2.12 -1.08 -0.95 -2.50 116.67 114.27 3dv4 s ASP 95 Ca 0.65 -1.73 0.00 0.00 -0.52 0.00 0.00 52.55 50.95 3dv4 s ASP 95 Cb -0.36 0.61 0.00 0.00 -1.46 0.00 0.00 42.92 41.70 3dv4 s ASP 95 CO 0.30 -0.99 0.00 0.61 0.52 0.00 0.00 175.17 175.61 3dv4 n GLY 96 N -0.96 1.11 1.15 2.66 0.00 -1.26 -0.99 105.19 106.90 3dv4 n GLY 96 Ca -0.06 -1.22 0.07 0.00 0.00 0.00 0.00 46.02 44.81 3dv4 n GLY 96 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3dv4 n TYR 97 N -1.06 0.97 -0.03 1.61 0.18 -1.26 -2.28 117.16 115.29 3dv4 n TYR 97 Ca 0.00 -0.41 -0.07 0.00 1.88 0.00 0.00 57.90 59.30 3dv4 n TYR 97 Cb 0.00 -0.13 -0.06 0.00 -0.38 0.00 0.00 39.34 38.76 3dv4 n TYR 97 CO 0.00 0.00 0.00 1.88 -2.08 0.00 0.00 176.86 176.66 3dv4 h TYR 98 N 3.01 -0.06 -0.01 -3.48 0.05 -1.95 -3.39 116.97 111.14 3dv4 h TYR 98 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3dv4 h TYR 98 Cb 1.00 0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.76 3dv4 h TYR 98 CO 0.50 0.39 -0.21 1.33 -1.05 0.00 0.00 178.16 179.12 3dv4 n VAL 99 N -4.76 0.00 -3.04 -2.88 0.24 -1.26 -4.99 118.33 101.64 3dv4 n VAL 99 Ca -0.05 -0.39 -0.23 0.00 -2.04 0.00 0.00 64.34 61.63 3dv4 n VAL 99 Cb 0.23 1.10 0.03 0.00 -1.47 0.00 0.00 33.84 33.73 3dv4 n VAL 99 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3dv4 n ASP 100 N -0.36 -5.98 -3.84 -1.34 8.00 -0.97 -4.96 116.55 107.10 3dv4 n ASP 100 Ca 0.04 -0.29 -0.09 0.00 0.71 0.00 0.00 54.79 55.15 3dv4 n ASP 100 Cb 0.19 -4.84 -0.04 0.00 -0.02 0.00 0.00 41.12 36.41 3dv4 n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dv4 s ALA 100 N -3.16 -0.72 -0.73 2.24 0.00 -1.25 -4.98 121.76 113.15 3dv4 s ALA 100 Ca 0.31 -0.45 -0.20 0.00 0.00 0.00 0.00 51.96 51.61 3dv4 s ALA 100 Cb -0.14 0.91 0.10 0.00 0.00 0.00 0.00 23.12 23.99 3dv4 s ALA 100 CO 0.38 -0.84 0.94 -1.64 0.00 0.00 0.00 175.76 174.61 3dv4 s MET 100 N -3.92 3.26 0.00 0.00 -1.94 -1.26 -4.18 119.30 111.27 3dv4 s MET 100 Ca 0.13 -1.31 0.28 0.00 -1.71 0.00 0.00 55.69 53.09 3dv4 s MET 100 Cb -0.01 -4.46 1.01 0.00 2.01 0.00 0.00 34.83 33.38 3dv4 s MET 100 CO 0.02 -1.72 1.73 -0.40 -0.01 0.00 0.00 175.02 174.64 3dv4 n ASP 101 N 6.87 0.65 -3.75 3.03 5.75 -1.04 -4.80 116.55 123.26 3dv4 n ASP 101 Ca 0.04 -0.62 -0.13 0.00 -0.01 0.00 0.00 54.79 54.07 3dv4 n ASP 101 Cb 0.46 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.43 3dv4 n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3dv4 s TYR 102 N -2.54 -0.30 0.13 2.11 2.02 -1.26 -5.01 117.35 112.51 3dv4 s TYR 102 Ca 0.25 0.73 0.07 0.00 -0.37 0.00 0.00 57.07 57.75 3dv4 s TYR 102 Cb 0.20 0.05 -0.04 0.00 -0.40 0.00 0.00 41.96 41.77 3dv4 s TYR 102 CO 0.51 -0.20 -0.16 -1.58 -1.57 0.00 0.00 175.55 172.55 3dv4 s TRP 103 N 0.93 1.58 0.38 2.71 0.52 -1.26 -0.77 118.94 123.03 3dv4 s TRP 103 Ca -0.07 -0.51 -0.03 0.00 0.02 0.00 0.00 56.10 55.52 3dv4 s TRP 103 Cb -0.08 -0.82 0.08 0.00 -1.15 0.00 0.00 33.47 31.51 3dv4 s TRP 103 CO -0.06 0.21 0.52 0.41 0.02 0.00 0.00 176.95 178.05 3dv4 n GLY 104 N 0.52 -0.01 0.53 0.98 0.00 -0.85 -4.65 105.19 101.71 3dv4 n GLY 104 Ca -0.15 -1.88 0.13 0.00 0.00 0.00 0.00 46.02 44.12 3dv4 n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dv4 n GLN 105 N -2.01 1.59 -0.25 1.61 0.00 -1.26 -4.90 117.38 112.15 3dv4 n GLN 105 Ca 0.08 -1.07 0.03 0.00 0.00 0.00 0.00 57.00 56.04 3dv4 n GLN 105 Cb 0.27 -1.48 -0.02 0.00 0.00 0.00 0.00 30.24 29.02 3dv4 n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3dv4 n GLY 106 N 1.27 -2.51 2.79 2.61 0.00 -1.26 -5.01 105.19 103.08 3dv4 n GLY 106 Ca 0.16 -1.40 -0.15 0.00 0.00 0.00 0.00 46.02 44.63 3dv4 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dv4 s THR 107 N -2.87 -0.01 0.02 2.61 -1.32 -0.83 -4.73 115.64 108.50 3dv4 s THR 107 Ca 0.00 0.17 -0.30 0.00 -1.21 0.00 0.00 61.69 60.35 3dv4 s THR 107 Cb 0.00 -0.10 -0.04 0.00 -1.51 0.00 0.00 72.50 70.85 3dv4 s THR 107 CO 0.00 0.09 1.05 -0.55 -2.21 0.00 0.00 174.62 173.00 3dv4 s SER 108 N 0.93 7.28 -0.24 8.08 0.15 -1.26 -1.71 113.70 126.92 3dv4 s SER 108 Ca -0.08 1.78 0.02 0.00 0.70 0.00 0.00 55.95 58.37 3dv4 s SER 108 Cb -0.11 -2.57 0.05 0.00 -1.71 0.00 0.00 66.02 61.68 3dv4 s SER 108 CO -0.02 -0.33 -0.10 -0.69 1.20 0.00 0.00 173.24 173.30 3dv4 s VAL 109 N 1.00 1.96 0.42 4.45 1.01 0.00 -2.06 120.40 127.18 3dv4 s VAL 109 Ca 0.54 -1.41 0.08 0.00 0.00 0.00 0.00 61.98 61.19 3dv4 s VAL 109 Cb -0.24 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 3dv4 s VAL 109 CO 0.28 0.03 0.40 -0.89 0.00 0.00 0.00 175.10 174.92 3dv4 s THR 110 N 1.22 2.70 -0.23 3.92 2.01 0.30 -1.48 115.64 124.06 3dv4 s THR 110 Ca -0.06 -1.31 -0.04 0.00 0.31 0.00 0.00 61.69 60.59 3dv4 s THR 110 Cb -0.19 -3.00 0.09 0.00 0.01 0.00 0.00 72.50 69.41 3dv4 s THR 110 CO -0.06 -0.00 0.15 -0.69 -0.69 0.00 0.00 174.62 173.33 3dv4 s VAL 111 N -2.46 -0.16 -0.04 3.82 1.01 -1.26 -2.54 120.40 118.77 3dv4 s VAL 111 Ca 0.49 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.06 3dv4 s VAL 111 Cb -0.04 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.58 3dv4 s VAL 111 CO 0.28 -0.46 -0.03 -0.44 0.00 0.00 0.00 175.10 174.46 3dv4 s SER 112 N 2.18 0.91 0.00 3.32 0.01 -0.95 -4.97 113.70 114.19 3dv4 s SER 112 Ca 0.06 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.23 3dv4 s SER 112 Cb -0.16 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.68 3dv4 s SER 112 CO -0.23 -0.09 0.30 -1.20 0.41 0.00 0.00 173.24 172.43