#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1we3 s THR 6 N 0.00 2.12 0.01 -0.18 -4.23 -1.26 -5.04 115.64 107.06 1we3 s THR 6 Ca 0.00 0.12 0.08 0.00 -1.18 0.00 0.00 61.69 60.71 1we3 s THR 6 Cb 0.00 -3.08 -0.02 0.00 1.34 0.00 0.00 72.50 70.74 1we3 s THR 6 CO 0.00 0.03 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.18 1we3 s VAL 7 N -1.13 1.91 -0.03 2.29 1.01 -1.26 -5.09 120.40 118.10 1we3 s VAL 7 Ca 0.53 -1.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.13 1we3 s VAL 7 Cb -0.46 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1we3 s VAL 7 CO 0.62 0.44 0.71 -0.63 0.00 0.00 0.00 175.10 176.24 1we3 s ILE 8 N -0.66 4.96 -0.62 2.22 1.09 -1.26 -5.04 121.20 121.89 1we3 s ILE 8 Ca 0.10 1.49 0.04 0.00 -1.10 0.00 0.00 60.65 61.17 1we3 s ILE 8 Cb -0.09 -4.06 0.15 0.00 -1.06 0.00 0.00 42.46 37.40 1we3 s ILE 8 CO 0.00 0.29 0.38 -0.54 -0.10 0.00 0.00 174.94 174.98 1we3 s LYS 9 N 0.52 2.25 0.83 2.79 1.02 -1.26 -4.89 119.74 121.00 1we3 s LYS 9 Ca 0.38 -2.96 -0.12 0.00 0.02 0.00 0.00 55.97 53.28 1we3 s LYS 9 Cb -0.18 -3.40 0.10 0.00 -0.52 0.00 0.00 37.83 33.82 1we3 s LYS 9 CO 0.19 -1.19 1.19 -1.25 -0.92 0.00 0.00 175.35 173.37 1we3 s PRO 10 N -0.83 1.52 0.00 -1.68 0.04 -1.26 -5.05 135.00 127.74 1we3 s PRO 10 Ca 0.21 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1we3 s PRO 10 Cb -0.16 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1we3 s PRO 10 CO -0.08 -2.29 0.00 1.28 0.04 0.00 0.00 177.00 175.95 1we3 n LEU 11 N -3.51 0.00 -0.66 -3.56 4.77 -1.26 -4.17 117.00 108.61 1we3 n LEU 11 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1we3 n LEU 11 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1we3 n LEU 11 CO 0.49 0.00 0.16 0.61 -1.33 0.00 0.00 177.39 177.31 1we3 n GLY 12 N 5.00 0.00 2.65 -0.72 0.00 -1.26 0.57 105.19 111.43 1we3 n GLY 12 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1we3 n GLY 12 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1we3 n ASP 13 N 0.73 -5.00 -4.73 1.61 5.75 0.56 -4.75 116.55 110.71 1we3 n ASP 13 Ca 0.00 0.04 -0.41 0.00 -0.01 0.00 0.00 54.79 54.41 1we3 n ASP 13 Cb 0.08 -2.65 -0.05 0.00 -1.03 0.00 0.00 41.12 37.47 1we3 n ASP 13 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1we3 s ARG 14 N -1.58 4.70 0.48 0.11 0.52 0.19 -3.51 118.95 119.85 1we3 s ARG 14 Ca 0.00 1.50 0.07 0.00 -0.52 0.00 0.00 55.73 56.78 1we3 s ARG 14 Cb 0.00 -3.35 0.00 0.00 0.52 0.00 0.00 34.95 32.12 1we3 s ARG 14 CO 0.00 0.22 0.36 0.14 0.02 0.00 0.00 175.30 176.05 1we3 s VAL 15 N -0.17 2.13 -0.28 3.52 -7.23 -0.34 -2.63 120.40 115.40 1we3 s VAL 15 Ca 0.47 -1.47 -0.01 0.00 -1.81 0.00 0.00 61.98 59.16 1we3 s VAL 15 Cb -0.25 -2.60 0.09 0.00 0.56 0.00 0.00 36.38 34.18 1we3 s VAL 15 CO 0.31 0.00 0.07 -0.69 -0.31 0.00 0.00 175.10 174.48 1we3 s VAL 16 N -2.63 0.92 0.14 1.32 1.01 -0.88 -2.92 120.40 117.35 1we3 s VAL 16 Ca 0.41 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1we3 s VAL 16 Cb -0.01 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1we3 s VAL 16 CO 0.24 -0.53 0.30 -0.69 0.00 0.00 0.00 175.10 174.43 1we3 s VAL 17 N 1.62 5.29 -0.39 2.92 1.01 -0.85 0.13 120.40 130.13 1we3 s VAL 17 Ca 0.06 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1we3 s VAL 17 Cb -0.17 -3.70 0.11 0.00 0.00 0.00 0.00 36.38 32.62 1we3 s VAL 17 CO -0.19 -0.04 0.13 -0.75 0.00 0.00 0.00 175.10 174.25 1we3 s LYS 18 N -3.00 1.44 0.49 2.72 2.47 -0.67 -0.86 119.74 122.33 1we3 s LYS 18 Ca 0.36 -1.94 -0.11 0.00 -1.56 0.00 0.00 55.97 52.72 1we3 s LYS 18 Cb -0.12 -2.92 -0.10 0.00 -1.46 0.00 0.00 37.83 33.23 1we3 s LYS 18 CO 0.28 -1.01 -0.30 0.54 0.16 0.00 0.00 175.35 175.01 1we3 n ARG 19 N 4.00 0.00 -3.98 4.03 1.74 -1.25 -3.27 116.66 117.92 1we3 n ARG 19 Ca 0.04 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.82 1we3 n ARG 19 Cb 0.39 -0.66 -0.16 0.00 -1.02 0.00 0.00 32.46 31.01 1we3 n ARG 19 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1we3 s ILE 20 N -1.31 1.49 0.27 0.55 1.01 -1.02 -4.80 121.20 117.39 1we3 s ILE 20 Ca 0.32 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 59.92 1we3 s ILE 20 Cb -0.22 -1.51 -0.10 0.00 0.01 0.00 0.00 42.46 40.64 1we3 s ILE 20 CO 0.49 0.29 1.27 -1.83 0.00 0.00 0.00 174.94 175.15 1we3 s GLU 21 N 1.49 4.42 0.65 2.79 1.03 -1.26 -4.60 118.70 123.22 1we3 s GLU 21 Ca 0.02 2.07 -0.16 0.00 0.03 0.00 0.00 54.97 56.93 1we3 s GLU 21 Cb -0.14 -3.14 -0.01 0.00 -0.80 0.00 0.00 34.13 30.04 1we3 s GLU 21 CO -0.09 -0.13 1.15 -1.21 -1.33 0.00 0.00 175.26 173.65 1we3 s GLU 22 N -1.08 2.76 0.93 -4.83 8.01 -1.26 -4.96 118.70 118.27 1we3 s GLU 22 Ca 0.51 1.59 -0.14 0.00 0.01 0.00 0.00 54.97 56.94 1we3 s GLU 22 Cb -0.37 -1.93 0.01 0.00 -4.31 0.00 0.00 34.13 27.53 1we3 s GLU 22 CO 0.45 -1.32 0.29 0.39 0.01 0.00 0.00 175.26 175.08 1we3 n GLU 23 N -2.16 -0.20 -0.15 1.61 1.02 -1.26 -4.88 120.64 114.62 1we3 n GLU 23 Ca 0.12 -0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 57.15 1we3 n GLU 23 Cb 0.51 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1we3 n GLU 23 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1we3 h PRO 24 N -1.37 0.65 0.00 3.49 0.11 -1.97 -3.45 132.00 129.45 1we3 h PRO 24 Ca -0.44 -0.10 -0.39 0.00 0.11 0.00 0.00 66.00 65.19 1we3 h PRO 24 Cb 1.29 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.30 1we3 h PRO 24 CO 0.34 0.56 -0.08 1.63 -0.21 0.00 0.00 178.00 180.24 1we3 n LYS 25 N -4.64 0.73 -1.48 1.05 5.02 -1.26 -2.90 118.16 114.68 1we3 n LYS 25 Ca 0.01 -2.45 0.00 0.00 -2.02 0.00 0.00 58.31 53.85 1we3 n LYS 25 Cb 0.12 -0.10 0.00 0.00 -0.02 0.00 0.00 35.03 35.03 1we3 n LYS 25 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1we3 n THR 26 N -1.88 0.00 0.26 -0.18 -2.24 -1.17 -4.91 114.28 104.15 1we3 n THR 26 Ca 0.10 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.95 1we3 n THR 26 Cb 0.47 -0.31 0.34 0.00 -2.10 0.00 0.00 70.33 68.72 1we3 n THR 26 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1we3 n LYS 27 N -0.27 0.08 0.00 -0.78 2.85 -1.26 -2.18 118.16 116.60 1we3 n LYS 27 Ca 0.00 0.46 0.07 0.00 -1.05 0.00 0.00 58.31 57.78 1we3 n LYS 27 Cb 0.00 -1.70 -0.07 0.00 -0.65 0.00 0.00 35.03 32.61 1we3 n LYS 27 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1we3 n GLY 28 N -0.73 -0.27 0.00 2.58 0.00 -1.26 -4.98 105.19 100.53 1we3 n GLY 28 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1we3 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1we3 n GLY 29 N 1.29 0.45 3.58 -0.02 0.00 -0.93 -5.04 105.19 104.53 1we3 n GLY 29 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1we3 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1we3 s ILE 30 N -2.00 3.54 -0.36 -0.61 1.01 -1.26 -4.66 121.20 116.86 1we3 s ILE 30 Ca 0.00 0.46 -0.28 0.00 0.00 0.00 0.00 60.65 60.83 1we3 s ILE 30 Cb 0.00 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 1we3 s ILE 30 CO 0.00 -0.80 1.74 -0.69 0.00 0.00 0.00 174.94 175.19 1we3 s VAL 31 N 7.38 3.53 0.44 2.92 1.01 -1.26 -3.05 120.40 131.38 1we3 s VAL 31 Ca 0.67 0.53 -0.21 0.00 0.00 0.00 0.00 61.98 62.97 1we3 s VAL 31 Cb -0.15 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 1we3 s VAL 31 CO 0.27 -0.50 0.97 -0.22 0.00 0.00 0.00 175.10 175.62 1we3 s LEU 32 N 6.79 3.91 0.20 3.92 2.96 -1.14 -5.01 118.68 130.30 1we3 s LEU 32 Ca 0.76 1.73 -0.29 0.00 -0.22 0.00 0.00 54.13 56.11 1we3 s LEU 32 Cb -0.20 -4.54 -0.08 0.00 0.50 0.00 0.00 46.19 41.86 1we3 s LEU 32 CO 0.33 -0.45 0.92 -2.16 -1.32 0.00 0.00 176.35 173.66 1we3 s PRO 33 N -3.23 4.78 0.00 0.98 0.04 -1.26 -4.90 135.00 131.42 1we3 s PRO 33 Ca 0.63 1.43 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1we3 s PRO 33 Cb -0.10 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1we3 s PRO 33 CO 0.15 0.45 0.20 -0.40 0.04 0.00 0.00 177.00 177.44 1we3 n ASP 34 N 1.83 0.51 -0.00 6.66 5.75 -1.26 0.17 116.55 130.20 1we3 n ASP 34 Ca -0.01 -0.57 0.01 0.00 -0.01 0.00 0.00 54.79 54.21 1we3 n ASP 34 Cb 0.48 -0.14 -0.02 0.00 -1.03 0.00 0.00 41.12 40.40 1we3 n ASP 34 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1we3 n THR 35 N 0.56 0.05 0.02 2.12 -1.04 -1.26 -4.67 114.28 110.05 1we3 n THR 35 Ca 0.00 -0.08 -0.21 0.00 -2.04 0.00 0.00 64.05 61.71 1we3 n THR 35 Cb 0.10 0.10 -0.14 0.00 -1.82 0.00 0.00 70.33 68.57 1we3 n THR 35 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1we3 h ALA 36 N 0.25 0.14 -2.51 2.41 0.00 -0.65 -3.46 119.26 115.44 1we3 h ALA 36 Ca -0.02 -1.04 -0.53 0.00 0.00 0.00 0.00 54.91 53.32 1we3 h ALA 36 Cb 0.39 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1we3 h ALA 36 CO 0.00 0.79 0.47 -1.59 0.00 0.00 0.00 179.25 178.92 1we3 s LYS 37 N -2.48 4.53 0.60 0.00 -2.85 -1.14 -5.04 119.74 113.36 1we3 s LYS 37 Ca -0.19 1.63 0.06 0.00 -1.00 0.00 0.00 55.97 56.47 1we3 s LYS 37 Cb 0.04 -3.37 0.09 0.00 -2.06 0.00 0.00 37.83 32.53 1we3 s LYS 37 CO 0.78 -0.08 0.83 -1.21 0.10 0.00 0.00 175.35 175.77 1we3 s GLU 38 N 0.64 2.17 0.19 1.78 2.02 -1.26 -4.93 118.70 119.31 1we3 s GLU 38 Ca 0.54 -1.40 -0.33 0.00 0.02 0.00 0.00 54.97 53.80 1we3 s GLU 38 Cb -0.26 -2.55 -0.13 0.00 0.10 0.00 0.00 34.13 31.29 1we3 s GLU 38 CO 0.30 -0.98 1.67 1.63 0.02 0.00 0.00 175.26 177.91 1we3 n LYS 39 N -2.39 2.56 -1.68 1.61 5.02 -1.26 -4.92 118.16 117.10 1we3 n LYS 39 Ca 0.14 0.92 -0.37 0.00 -2.02 0.00 0.00 58.31 56.99 1we3 n LYS 39 Cb 0.61 -2.74 0.07 0.00 -0.02 0.00 0.00 35.03 32.94 1we3 n LYS 39 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1we3 n PRO 40 N 3.78 1.02 -0.50 1.97 -0.04 -1.26 -4.91 135.00 135.06 1we3 n PRO 40 Ca 0.16 0.40 0.09 0.00 -0.04 0.00 0.00 63.50 64.11 1we3 n PRO 40 Cb 0.33 -2.45 0.31 0.00 -0.04 0.00 0.00 33.50 31.64 1we3 n PRO 40 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1we3 n GLN 41 N -1.79 3.42 -4.41 0.54 6.02 -1.26 -4.75 117.38 115.15 1we3 n GLN 41 Ca 0.15 -2.73 -0.26 0.00 -0.01 0.00 0.00 57.00 54.16 1we3 n GLN 41 Cb 0.48 -1.76 -0.09 0.00 1.02 0.00 0.00 30.24 29.89 1we3 n GLN 41 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1we3 s LYS 42 N -1.79 2.05 0.00 -1.09 1.02 -1.26 -0.89 119.74 117.78 1we3 s LYS 42 Ca 0.45 -1.95 0.00 0.00 0.02 0.00 0.00 55.97 54.49 1we3 s LYS 42 Cb 0.29 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.80 1we3 s LYS 42 CO 0.21 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 175.03 1we3 n GLY 43 N -1.04 2.77 3.88 -3.33 0.00 -1.15 -2.42 105.19 103.90 1we3 n GLY 43 Ca -0.04 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 1we3 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1we3 s LYS 44 N -2.00 3.42 0.24 1.61 1.02 -1.20 -0.23 119.74 122.59 1we3 s LYS 44 Ca 0.00 -0.18 -0.30 0.00 0.02 0.00 0.00 55.97 55.52 1we3 s LYS 44 Cb 0.00 -3.16 -0.09 0.00 -0.52 0.00 0.00 37.83 34.06 1we3 s LYS 44 CO 0.00 0.76 1.09 0.08 -0.92 0.00 0.00 175.35 176.36 1we3 s VAL 45 N -1.08 3.67 -0.05 3.17 1.01 -0.76 -1.67 120.40 124.70 1we3 s VAL 45 Ca 0.17 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.74 1we3 s VAL 45 Cb -0.12 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1we3 s VAL 45 CO 0.07 0.33 0.32 -0.38 0.00 0.00 0.00 175.10 175.44 1we3 n ILE 46 N 1.69 0.00 -3.15 2.22 2.08 0.34 -2.35 119.36 120.19 1we3 n ILE 46 Ca 0.00 -0.50 0.05 0.00 0.56 0.00 0.00 62.75 62.87 1we3 n ILE 46 Cb 0.45 1.01 -0.00 0.00 -0.75 0.00 0.00 39.64 40.35 1we3 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1we3 s ALA 47 N -0.44 -3.93 0.51 -1.39 0.00 -1.23 -4.96 121.76 110.33 1we3 s ALA 47 Ca 0.00 1.36 -0.12 0.00 0.00 0.00 0.00 51.96 53.20 1we3 s ALA 47 Cb 0.00 -2.79 -0.06 0.00 0.00 0.00 0.00 23.12 20.28 1we3 s ALA 47 CO 0.01 -2.01 0.92 0.14 0.00 0.00 0.00 175.76 174.83 1we3 s VAL 48 N 2.95 4.69 0.24 0.00 -7.23 -1.26 -2.08 120.40 117.72 1we3 s VAL 48 Ca 0.23 0.84 0.00 0.00 -1.81 0.00 0.00 61.98 61.25 1we3 s VAL 48 Cb -0.03 -3.79 -0.00 0.00 0.56 0.00 0.00 36.38 33.12 1we3 s VAL 48 CO -0.21 -0.80 0.00 0.61 -0.31 0.00 0.00 175.10 174.39 1we3 n GLY 49 N -1.94 3.88 3.48 2.32 0.00 -1.08 -4.66 105.19 107.20 1we3 n GLY 49 Ca 0.05 -2.27 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 1we3 n GLY 49 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1we3 n THR 50 N -0.60 1.95 -0.49 2.61 -1.04 -1.26 -4.61 114.28 110.85 1we3 n THR 50 Ca -0.10 -0.50 -0.06 0.00 -2.04 0.00 0.00 64.05 61.35 1we3 n THR 50 Cb 0.31 -0.66 0.06 0.00 -1.82 0.00 0.00 70.33 68.21 1we3 n THR 50 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1we3 n GLY 51 N 1.67 -2.80 3.60 3.41 0.00 -1.26 -0.32 105.19 109.49 1we3 n GLY 51 Ca 0.11 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 1we3 n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1we3 s ARG 52 N -3.51 3.93 -0.55 1.61 1.70 -0.97 -3.46 118.95 117.71 1we3 s ARG 52 Ca 0.15 0.34 -0.26 0.00 -0.47 0.00 0.00 55.73 55.49 1we3 s ARG 52 Cb -0.02 -3.72 -0.08 0.00 -0.57 0.00 0.00 34.95 30.56 1we3 s ARG 52 CO 0.12 -0.56 2.41 0.08 -1.08 0.00 0.00 175.30 176.28 1we3 s VAL 53 N 2.61 3.00 1.47 4.99 1.01 -1.26 -2.87 120.40 129.35 1we3 s VAL 53 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.99 1we3 s VAL 53 Cb -0.15 -3.01 0.38 0.00 0.00 0.00 0.00 36.38 33.60 1we3 s VAL 53 CO 0.11 -0.01 0.89 -0.11 0.00 0.00 0.00 175.10 175.99 1we3 n LEU 54 N 16.49 0.00 0.27 3.92 7.94 0.73 -4.90 117.00 141.45 1we3 n LEU 54 Ca 0.39 -0.91 0.14 0.00 -1.11 0.00 0.00 56.01 54.52 1we3 n LEU 54 Cb 0.53 -1.00 0.78 0.00 0.53 0.00 0.00 43.42 44.25 1we3 n LEU 54 CO 0.68 -2.82 1.01 -0.08 -1.11 0.00 0.00 177.39 175.06 1we3 h GLU 55 N 0.00 0.00 -2.38 1.96 4.57 -1.92 -3.26 114.58 113.55 1we3 h GLU 55 Ca -0.40 0.00 -0.60 0.00 -1.18 0.00 0.00 59.36 57.18 1we3 h GLU 55 Cb 1.34 0.00 -0.42 0.00 -0.16 0.00 0.00 28.75 29.51 1we3 h GLU 55 CO 0.24 0.09 -0.66 0.27 -1.18 0.00 0.00 179.01 177.77 1we3 n ASN 56 N -3.56 3.05 0.00 1.04 0.23 -1.26 -4.94 115.26 109.82 1we3 n ASN 56 Ca -0.02 -3.27 0.00 0.00 -0.53 0.00 0.00 54.58 50.76 1we3 n ASN 56 Cb 0.22 -0.68 0.00 0.00 -2.08 0.00 0.00 39.78 37.23 1we3 n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1we3 n GLY 57 N 1.24 0.00 3.65 4.83 0.00 -1.23 -4.87 105.19 108.81 1we3 n GLY 57 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 1we3 n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1we3 s GLN 58 N 0.00 4.22 -0.70 1.61 -0.21 -1.26 -4.77 119.66 118.55 1we3 s GLN 58 Ca 0.00 1.01 -0.20 0.00 0.02 0.00 0.00 55.36 56.19 1we3 s GLN 58 Cb 0.00 -3.63 0.10 0.00 1.00 0.00 0.00 33.01 30.48 1we3 s GLN 58 CO 0.00 -0.49 0.90 1.03 -2.12 0.00 0.00 175.29 174.62 1we3 s ARG 59 N 2.72 3.21 -0.10 2.91 0.52 -1.26 -0.19 118.95 126.76 1we3 s ARG 59 Ca 0.37 -1.27 -0.29 0.00 -0.52 0.00 0.00 55.73 54.01 1we3 s ARG 59 Cb -0.16 -4.40 -0.05 0.00 0.52 0.00 0.00 34.95 30.86 1we3 s ARG 59 CO 0.08 -1.69 1.73 0.08 0.02 0.00 0.00 175.30 175.52 1we3 s VAL 60 N 3.13 3.49 0.72 3.52 1.01 -1.14 -4.64 120.40 126.50 1we3 s VAL 60 Ca 0.21 0.58 -0.15 0.00 0.00 0.00 0.00 61.98 62.62 1we3 s VAL 60 Cb -0.16 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 32.82 1we3 s VAL 60 CO 0.04 -0.11 1.20 -2.84 0.00 0.00 0.00 175.10 173.38 1we3 s PRO 61 N 4.45 2.20 0.11 2.72 0.02 -1.26 -2.28 135.00 140.95 1we3 s PRO 61 Ca 0.77 1.72 -0.30 0.00 0.02 0.00 0.00 61.00 63.21 1we3 s PRO 61 Cb -0.32 -1.84 -0.06 0.00 0.02 0.00 0.00 34.50 32.29 1we3 s PRO 61 CO 0.31 -1.78 1.12 -0.51 -0.33 0.00 0.00 177.00 175.81 1we3 s LEU 62 N -5.13 4.43 0.00 -5.54 1.02 -1.26 -4.88 118.68 107.32 1we3 s LEU 62 Ca 0.74 2.01 0.00 0.00 0.02 0.00 0.00 54.13 56.89 1we3 s LEU 62 Cb -0.28 -3.59 0.00 0.00 0.02 0.00 0.00 46.19 42.34 1we3 s LEU 62 CO 0.45 -0.32 0.21 -0.62 0.02 0.00 0.00 176.35 176.09 1we3 n GLU 63 N 3.16 0.22 -5.15 1.70 1.02 -1.26 -4.60 120.64 115.72 1we3 n GLU 63 Ca 0.05 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.88 1we3 n GLU 63 Cb 0.47 -1.00 -0.17 0.00 -0.02 0.00 0.00 31.44 30.72 1we3 n GLU 63 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1we3 s VAL 64 N -1.98 1.95 0.48 2.62 1.01 -1.26 -5.11 120.40 118.11 1we3 s VAL 64 Ca 0.00 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 60.84 1we3 s VAL 64 Cb 0.00 -1.69 -0.09 0.00 0.00 0.00 0.00 36.38 34.60 1we3 s VAL 64 CO 0.00 0.54 0.96 -0.54 0.00 0.00 0.00 175.10 176.06 1we3 s LYS 65 N 0.37 4.04 -0.93 2.72 1.02 -1.26 -4.91 119.74 120.80 1we3 s LYS 65 Ca -0.18 0.99 -0.24 0.00 0.02 0.00 0.00 55.97 56.56 1we3 s LYS 65 Cb -0.18 -2.17 -0.15 0.00 -0.52 0.00 0.00 37.83 34.81 1we3 s LYS 65 CO 0.08 -0.17 1.92 -1.91 -0.92 0.00 0.00 175.35 174.35 1we3 n GLU 66 N -1.22 1.29 0.00 1.68 2.13 -1.26 -2.70 120.64 120.56 1we3 n GLU 66 Ca 0.06 -2.06 0.00 0.00 0.66 0.00 0.00 57.16 55.83 1we3 n GLU 66 Cb 0.54 -3.36 0.00 0.00 0.27 0.00 0.00 31.44 28.89 1we3 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1we3 n GLY 67 N 5.32 -0.30 3.95 8.31 0.00 -0.99 -4.88 105.19 116.60 1we3 n GLY 67 Ca 0.46 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.25 1we3 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1we3 s ASP 68 N 0.00 5.68 -0.39 1.61 1.01 -1.10 -4.69 116.67 118.79 1we3 s ASP 68 Ca 0.00 0.27 -0.19 0.00 0.71 0.00 0.00 52.55 53.34 1we3 s ASP 68 Cb 0.00 -1.41 0.01 0.00 1.01 0.00 0.00 42.92 42.53 1we3 s ASP 68 CO 0.00 -0.84 0.57 -0.63 0.21 0.00 0.00 175.17 174.48 1we3 s ILE 69 N -2.65 4.93 0.07 0.77 1.01 -1.26 -1.82 121.20 122.24 1we3 s ILE 69 Ca 0.51 0.19 0.02 0.00 0.00 0.00 0.00 60.65 61.37 1we3 s ILE 69 Cb -0.10 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 1we3 s ILE 69 CO 0.39 -0.41 0.10 -0.69 0.00 0.00 0.00 174.94 174.33 1we3 s VAL 70 N 2.57 4.71 -0.25 2.92 1.01 0.68 -0.61 120.40 131.42 1we3 s VAL 70 Ca 0.20 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 1we3 s VAL 70 Cb -0.15 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 32.99 1we3 s VAL 70 CO 0.16 0.16 -0.03 -0.69 0.00 0.00 0.00 175.10 174.69 1we3 s VAL 71 N -1.38 3.13 0.13 2.92 1.01 -0.31 -2.91 120.40 122.99 1we3 s VAL 71 Ca 0.29 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.43 1we3 s VAL 71 Cb -0.12 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1we3 s VAL 71 CO 0.22 0.21 -0.10 0.72 0.00 0.00 0.00 175.10 176.15 1we3 s PHE 72 N 1.38 1.21 -1.06 5.22 -0.12 -0.07 -0.05 117.98 124.49 1we3 s PHE 72 Ca 0.01 -0.73 -0.23 0.00 -0.05 0.00 0.00 56.93 55.93 1we3 s PHE 72 Cb -0.16 -0.63 -0.06 0.00 -0.63 0.00 0.00 43.02 41.54 1we3 s PHE 72 CO -0.03 0.05 1.92 0.00 -0.05 0.00 0.00 175.22 177.12 1we3 s ALA 73 N -3.06 1.80 0.18 1.99 0.00 -1.16 -4.64 121.76 116.87 1we3 s ALA 73 Ca 0.13 -1.88 0.15 0.00 0.00 0.00 0.00 51.96 50.36 1we3 s ALA 73 Cb 0.01 -4.62 0.57 0.00 0.00 0.00 0.00 23.12 19.08 1we3 s ALA 73 CO 0.00 -4.96 0.55 0.36 0.00 0.00 0.00 175.76 171.71 1we3 n LYS 74 N 8.56 -0.01 -0.03 0.00 2.85 -1.26 -0.88 118.16 127.39 1we3 n LYS 74 Ca 0.43 0.40 -0.04 0.00 -1.05 0.00 0.00 58.31 58.05 1we3 n LYS 74 Cb 0.47 -0.87 0.18 0.00 -0.65 0.00 0.00 35.03 34.16 1we3 n LYS 74 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 177.40 177.45 1we3 h TYR 75 N 0.00 0.67 -2.69 5.58 -0.00 -1.95 -3.46 116.97 115.12 1we3 h TYR 75 Ca 0.32 -0.12 -0.44 0.00 0.00 0.00 0.00 58.73 58.49 1we3 h TYR 75 Cb 1.19 -0.17 0.05 0.00 0.00 0.00 0.00 36.73 37.80 1we3 h TYR 75 CO -0.00 0.74 0.01 0.20 -0.00 0.00 0.00 178.16 179.11 1we3 s GLY 76 N -3.89 1.80 0.00 0.10 0.00 -0.06 -4.99 107.32 100.28 1we3 s GLY 76 Ca -0.08 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.36 1we3 s GLY 76 CO 0.80 -0.96 0.00 0.61 0.00 0.00 0.00 173.10 173.55 1we3 n GLY 77 N -2.45 -2.36 3.43 0.20 0.00 -1.26 -4.95 105.19 97.80 1we3 n GLY 77 Ca 0.08 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 1we3 n GLY 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1we3 n THR 78 N 0.69 1.23 -4.46 2.61 -1.04 -1.20 -4.65 114.28 107.46 1we3 n THR 78 Ca 0.00 -0.35 -0.21 0.00 -2.04 0.00 0.00 64.05 61.45 1we3 n THR 78 Cb 0.00 -0.67 -0.14 0.00 -1.82 0.00 0.00 70.33 67.70 1we3 n THR 78 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1we3 s GLU 79 N -2.95 1.02 0.10 -2.82 2.02 -1.26 -0.67 118.70 114.14 1we3 s GLU 79 Ca 0.62 -0.68 -0.16 0.00 0.02 0.00 0.00 54.97 54.77 1we3 s GLU 79 Cb -0.31 -1.02 0.03 0.00 0.10 0.00 0.00 34.13 32.94 1we3 s GLU 79 CO 0.61 0.26 0.40 0.42 0.02 0.00 0.00 175.26 176.97 1we3 s ILE 80 N -0.68 0.07 0.17 -1.63 1.09 -0.42 -4.98 121.20 114.83 1we3 s ILE 80 Ca 0.03 -0.57 0.09 0.00 -1.10 0.00 0.00 60.65 59.10 1we3 s ILE 80 Cb -0.07 -1.11 -0.04 0.00 -1.06 0.00 0.00 42.46 40.17 1we3 s ILE 80 CO 0.01 -0.31 -0.09 -0.70 -0.10 0.00 0.00 174.94 173.74 1we3 s GLU 81 N -3.44 2.07 -0.16 2.79 2.12 -1.25 0.10 118.70 120.93 1we3 s GLU 81 Ca 0.01 -1.23 -0.08 0.00 0.36 0.00 0.00 54.97 54.03 1we3 s GLU 81 Cb 0.01 -2.18 0.06 0.00 0.26 0.00 0.00 34.13 32.28 1we3 s GLU 81 CO -0.09 0.44 0.38 0.42 -0.54 0.00 0.00 175.26 175.87 1we3 s ILE 82 N -1.64 -0.18 -1.56 -3.70 1.01 0.44 -4.90 121.20 110.68 1we3 s ILE 82 Ca 0.24 0.13 -0.08 0.00 0.00 0.00 0.00 60.65 60.94 1we3 s ILE 82 Cb -0.09 -0.58 0.07 0.00 0.01 0.00 0.00 42.46 41.87 1we3 s ILE 82 CO 0.15 0.05 0.51 0.47 0.00 0.00 0.00 174.94 176.12 1we3 n ASP 83 N 4.56 -1.34 -2.13 3.58 9.92 -1.26 -2.74 116.55 127.14 1we3 n ASP 83 Ca -0.20 -1.05 -0.04 0.00 -0.53 0.00 0.00 54.79 52.97 1we3 n ASP 83 Cb 0.53 -2.69 0.02 0.00 -0.64 0.00 0.00 41.12 38.34 1we3 n ASP 83 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1we3 n GLY 84 N -1.81 -0.10 0.00 0.44 0.00 -1.26 -5.07 105.19 97.38 1we3 n GLY 84 Ca -0.15 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1we3 n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1we3 n GLU 85 N -1.88 0.00 -4.61 1.61 4.07 -1.11 -5.18 120.64 113.54 1we3 n GLU 85 Ca -0.02 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.75 1we3 n GLU 85 Cb 0.53 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.80 1we3 n GLU 85 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1we3 s GLU 86 N -0.19 2.58 0.21 5.31 -1.05 -1.26 0.17 118.70 124.47 1we3 s GLU 86 Ca 0.00 -0.67 0.04 0.00 -0.15 0.00 0.00 54.97 54.19 1we3 s GLU 86 Cb 0.00 -2.49 -0.01 0.00 -0.44 0.00 0.00 34.13 31.19 1we3 s GLU 86 CO 0.00 0.62 0.14 0.66 0.95 0.00 0.00 175.26 177.64 1we3 n TYR 87 N 1.93 -0.31 -3.93 4.83 4.02 0.29 -4.75 117.16 119.24 1we3 n TYR 87 Ca -0.17 -1.65 -0.27 0.00 -0.01 0.00 0.00 57.90 55.81 1we3 n TYR 87 Cb 0.53 0.12 -0.17 0.00 -0.02 0.00 0.00 39.34 39.80 1we3 n TYR 87 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1we3 s VAL 88 N -2.71 1.02 -0.82 -0.72 1.01 -0.04 -1.30 120.40 116.84 1we3 s VAL 88 Ca 0.20 -0.29 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 1we3 s VAL 88 Cb 0.01 -1.03 0.09 0.00 0.00 0.00 0.00 36.38 35.45 1we3 s VAL 88 CO 0.14 0.37 1.10 -0.63 0.00 0.00 0.00 175.10 176.08 1we3 s ILE 89 N 1.67 4.42 0.26 2.22 1.01 0.15 -2.00 121.20 128.93 1we3 s ILE 89 Ca 0.04 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 59.88 1we3 s ILE 89 Cb -0.13 -4.78 -0.03 0.00 0.01 0.00 0.00 42.46 37.54 1we3 s ILE 89 CO -0.08 -1.55 0.34 -0.76 0.00 0.00 0.00 174.94 172.89 1we3 s LEU 90 N 3.68 4.13 0.00 2.97 1.43 -1.15 -3.20 118.68 126.54 1we3 s LEU 90 Ca 0.30 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1we3 s LEU 90 Cb -0.10 -2.71 0.01 0.00 0.03 0.00 0.00 46.19 43.43 1we3 s LEU 90 CO -0.00 -0.13 0.09 -1.20 0.23 0.00 0.00 176.35 175.34 1we3 n SER 91 N -1.39 0.16 0.09 2.29 7.64 -1.26 -1.20 113.62 119.95 1we3 n SER 91 Ca -0.07 -1.13 -0.15 0.00 1.01 0.00 0.00 58.87 58.53 1we3 n SER 91 Cb 0.57 -0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.62 1we3 n SER 91 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1we3 h GLU 92 N 0.00 0.34 -0.60 1.43 4.81 -1.90 -3.22 114.58 115.44 1we3 h GLU 92 Ca -0.03 -0.47 0.03 0.00 -0.13 0.00 0.00 59.36 58.75 1we3 h GLU 92 Cb 0.12 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 1we3 h GLU 92 CO 0.04 1.18 0.37 0.00 -0.73 0.00 0.00 179.01 179.86 1we3 h ARG 93 N 0.14 0.70 0.00 1.92 3.08 -1.94 -1.15 114.38 117.13 1we3 h ARG 93 Ca -0.12 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1we3 h ARG 93 Cb 1.81 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.70 1we3 h ARG 93 CO 0.19 0.46 -0.03 -0.44 -1.07 0.00 0.00 179.97 179.08 1we3 h ASP 94 N 0.72 0.00 -3.15 7.04 3.32 -1.95 -3.41 116.42 119.00 1we3 h ASP 94 Ca 0.24 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.72 1we3 h ASP 94 Cb 0.03 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 1we3 h ASP 94 CO -0.10 0.03 0.92 -0.76 -1.72 0.00 0.00 179.24 177.61 1we3 s LEU 95 N -6.40 3.95 -0.18 1.55 1.43 -0.44 -2.98 118.68 115.62 1we3 s LEU 95 Ca -0.01 1.25 -0.00 0.00 -1.03 0.00 0.00 54.13 54.34 1we3 s LEU 95 Cb 0.11 -3.54 -0.22 0.00 0.03 0.00 0.00 46.19 42.57 1we3 s LEU 95 CO 0.52 -0.96 0.12 0.18 0.23 0.00 0.00 176.35 176.44 1we3 n LEU 96 N 7.21 2.49 0.00 1.79 4.77 0.93 -4.98 117.00 129.20 1we3 n LEU 96 Ca 0.14 0.07 -0.01 0.00 -0.03 0.00 0.00 56.01 56.18 1we3 n LEU 96 Cb 0.46 -0.84 0.01 0.00 -2.33 0.00 0.00 43.42 40.72 1we3 n LEU 96 CO 0.60 0.84 0.38 0.00 -1.33 0.00 0.00 177.39 177.88 1we3 n ALA 97 N -3.06 -1.26 -2.85 -1.18 0.00 -1.01 -4.98 120.51 106.16 1we3 n ALA 97 Ca -0.37 -0.43 -0.13 0.00 0.00 0.00 0.00 53.44 52.51 1we3 n ALA 97 Cb 1.03 0.22 -0.13 0.00 0.00 0.00 0.00 19.45 20.57 1we3 n ALA 97 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1we3 s VAL 98 N -2.30 0.26 -0.20 0.00 1.01 -1.26 -1.16 120.40 116.75 1we3 s VAL 98 Ca 0.11 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 1we3 s VAL 98 Cb -0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 1we3 s VAL 98 CO 0.02 -0.11 0.33 -0.76 0.00 0.00 0.00 175.10 174.57 1we3 s LEU 99 N -0.57 4.17 0.00 3.92 1.02 0.22 -4.97 118.68 122.47 1we3 s LEU 99 Ca -0.04 0.44 0.11 0.00 0.02 0.00 0.00 54.13 54.66 1we3 s LEU 99 Cb -0.04 -2.40 0.09 0.00 0.02 0.00 0.00 46.19 43.85 1we3 s LEU 99 CO -0.00 -0.01 0.84 1.67 0.02 0.00 0.00 176.35 178.87