#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 4.68 0.21 3.15 -4.23 -1.26 -5.13 115.64 113.06 1we3 s THR 6 Ca 0.00 -0.87 0.06 0.00 -1.18 0.00 0.00 61.69 59.69 1we3 s THR 6 Cb 0.00 -3.34 -0.04 0.00 1.34 0.00 0.00 72.50 70.46 1we3 s THR 6 CO 0.00 -0.01 0.21 -0.69 -0.54 0.00 0.00 174.62 173.59 1we3 s VAL 7 N -1.61 4.68 -0.16 2.29 1.01 -1.26 -5.07 120.40 120.28 1we3 s VAL 7 Ca 0.31 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1we3 s VAL 7 Cb -0.11 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1we3 s VAL 7 CO 0.24 -0.23 -0.16 -0.63 0.00 0.00 0.00 175.10 174.32 1we3 s ILE 8 N -1.93 2.57 -0.52 2.22 1.09 -1.26 -5.08 121.20 118.30 1we3 s ILE 8 Ca 0.33 -0.79 0.04 0.00 -1.10 0.00 0.00 60.65 59.12 1we3 s ILE 8 Cb -0.09 -2.09 0.13 0.00 -1.06 0.00 0.00 42.46 39.35 1we3 s ILE 8 CO 0.25 0.51 0.26 -0.54 -0.10 0.00 0.00 174.94 175.32 1we3 s LYS 9 N 0.94 1.97 1.03 2.79 1.02 -1.26 -4.89 119.74 121.34 1we3 s LYS 9 Ca -0.03 -2.61 -0.12 0.00 0.02 0.00 0.00 55.97 53.23 1we3 s LYS 9 Cb -0.15 -3.31 0.21 0.00 -0.52 0.00 0.00 37.83 34.06 1we3 s LYS 9 CO -0.02 -1.11 1.07 -1.25 -0.92 0.00 0.00 175.35 173.12 1we3 s PRO 10 N -0.28 0.13 0.00 -1.68 0.04 -1.26 -5.07 135.00 126.88 1we3 s PRO 10 Ca 0.17 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1we3 s PRO 10 Cb -0.26 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1we3 s PRO 10 CO -0.00 -3.05 0.00 1.28 0.04 0.00 0.00 177.00 175.27 1we3 n LEU 11 N -4.46 0.00 0.00 -3.56 4.77 -1.26 -4.39 117.00 108.10 1we3 n LEU 11 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1we3 n LEU 11 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1we3 n LEU 11 CO 0.55 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1we3 n GLY 12 N 4.50 0.58 0.60 -0.72 0.00 -1.26 -0.40 105.19 108.50 1we3 n GLY 12 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 0.46 2.88 -4.75 1.61 5.68 -1.26 -0.65 116.55 120.51 1we3 n ASP 13 Ca 0.00 -3.25 -0.41 0.00 -0.50 0.00 0.00 54.79 50.62 1we3 n ASP 13 Cb 0.00 -0.52 -0.02 0.00 -1.14 0.00 0.00 41.12 39.44 1we3 n ASP 13 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1we3 s ARG 14 N -2.96 4.27 0.53 0.11 0.52 0.47 -3.77 118.95 118.11 1we3 s ARG 14 Ca 0.38 2.30 0.05 0.00 -0.52 0.00 0.00 55.73 57.94 1we3 s ARG 14 Cb 0.33 -3.11 0.03 0.00 0.52 0.00 0.00 34.95 32.72 1we3 s ARG 14 CO 0.04 -0.41 0.37 0.14 0.02 0.00 0.00 175.30 175.45 1we3 s VAL 15 N -0.03 1.73 -0.31 3.52 -7.23 -0.49 -2.25 120.40 115.34 1we3 s VAL 15 Ca 0.59 -1.52 -0.02 0.00 -1.81 0.00 0.00 61.98 59.22 1we3 s VAL 15 Cb -0.42 -2.25 0.11 0.00 0.56 0.00 0.00 36.38 34.38 1we3 s VAL 15 CO 0.43 0.00 0.13 -0.69 -0.31 0.00 0.00 175.10 174.66 1we3 s VAL 16 N -2.75 0.44 0.37 1.32 1.01 -0.99 -2.89 120.40 116.92 1we3 s VAL 16 Ca 0.34 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1we3 s VAL 16 Cb -0.02 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1we3 s VAL 16 CO 0.21 -0.74 0.58 -0.69 0.00 0.00 0.00 175.10 174.45 1we3 s VAL 17 N 1.69 4.89 -0.37 2.92 1.01 -0.46 0.04 120.40 130.12 1we3 s VAL 17 Ca 0.11 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1we3 s VAL 17 Cb -0.18 -3.79 0.11 0.00 0.00 0.00 0.00 36.38 32.53 1we3 s VAL 17 CO -0.26 -0.52 0.15 -0.75 0.00 0.00 0.00 175.10 173.71 1we3 s LYS 18 N -4.37 1.05 0.55 2.72 2.36 -0.82 -1.22 119.74 120.00 1we3 s LYS 18 Ca 0.42 -1.56 -0.14 0.00 -2.55 0.00 0.00 55.97 52.14 1we3 s LYS 18 Cb -0.10 -2.30 -0.12 0.00 -1.05 0.00 0.00 37.83 34.26 1we3 s LYS 18 CO 0.37 -1.05 -0.29 0.54 1.55 0.00 0.00 175.35 176.47 1we3 n ARG 19 N 4.25 0.00 -4.04 4.03 1.74 -1.26 -3.27 116.66 118.11 1we3 n ARG 19 Ca 0.03 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.80 1we3 n ARG 19 Cb 0.39 -0.82 -0.16 0.00 -1.02 0.00 0.00 32.46 30.85 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 -1.64 1.71 0.26 0.55 1.01 -0.49 -4.83 121.20 117.77 1we3 s ILE 20 Ca 0.42 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.99 1we3 s ILE 20 Cb -0.32 -1.62 -0.09 0.00 0.01 0.00 0.00 42.46 40.43 1we3 s ILE 20 CO 0.59 0.42 1.29 -1.83 0.00 0.00 0.00 174.94 175.41 1we3 s GLU 21 N 1.42 4.41 0.68 2.79 1.03 -1.26 -4.58 118.70 123.18 1we3 s GLU 21 Ca 0.04 2.09 -0.15 0.00 0.03 0.00 0.00 54.97 56.98 1we3 s GLU 21 Cb -0.14 -3.15 0.01 0.00 -0.80 0.00 0.00 34.13 30.05 1we3 s GLU 21 CO -0.11 -0.18 1.12 -1.21 -1.33 0.00 0.00 175.26 173.55 1we3 s GLU 22 N -0.85 2.68 0.56 -4.83 8.01 -1.26 -4.95 118.70 118.06 1we3 s GLU 22 Ca 0.53 1.41 -0.19 0.00 0.01 0.00 0.00 54.97 56.72 1we3 s GLU 22 Cb -0.37 -1.93 -0.07 0.00 -4.31 0.00 0.00 34.13 27.45 1we3 s GLU 22 CO 0.44 -1.35 0.86 0.39 0.01 0.00 0.00 175.26 175.60 1we3 n GLU 23 N -2.55 0.87 -0.26 1.61 1.02 -1.26 -4.86 120.64 115.21 1we3 n GLU 23 Ca 0.11 0.33 0.05 0.00 -0.02 0.00 0.00 57.16 57.63 1we3 n GLU 23 Cb 0.52 -2.02 0.29 0.00 -0.02 0.00 0.00 31.44 30.20 1we3 n GLU 23 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1we3 h PRO 24 N 0.60 0.89 -6.41 3.49 0.13 -1.96 -3.43 132.00 125.31 1we3 h PRO 24 Ca -0.47 -0.05 -0.52 0.00 -0.87 0.00 0.00 66.00 64.09 1we3 h PRO 24 Cb 1.37 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1we3 h PRO 24 CO 0.51 0.59 -0.16 0.15 -0.23 0.00 0.00 178.00 178.85 1we3 s LYS 25 N -5.81 2.28 0.00 0.86 1.02 -1.26 -2.28 119.74 114.54 1we3 s LYS 25 Ca -0.11 -1.78 0.00 0.00 0.02 0.00 0.00 55.97 54.11 1we3 s LYS 25 Cb 0.20 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 1we3 s LYS 25 CO 0.79 -0.79 0.00 0.25 -0.92 0.00 0.00 175.35 174.68 1we3 n THR 26 N -2.09 0.00 0.38 2.17 -2.24 -1.20 -4.89 114.28 106.41 1we3 n THR 26 Ca 0.10 -0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.94 1we3 n THR 26 Cb 0.63 -0.40 0.28 0.00 -2.10 0.00 0.00 70.33 68.73 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 -0.40 0.02 0.00 -0.78 2.85 -1.26 -2.26 118.16 116.33 1we3 n LYS 27 Ca -0.00 0.33 0.07 0.00 -1.05 0.00 0.00 58.31 57.66 1we3 n LYS 27 Cb 0.00 -1.55 -0.05 0.00 -0.65 0.00 0.00 35.03 32.78 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 -0.34 -0.23 0.07 2.58 0.00 -1.26 -4.98 105.19 101.03 1we3 n GLY 28 Ca 0.03 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 1.25 0.25 3.55 -0.02 0.00 -0.96 -5.03 105.19 104.23 1we3 n GLY 29 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.03 3.24 -0.06 -0.61 1.01 -1.26 -4.64 121.20 116.85 1we3 s ILE 30 Ca 0.00 0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.50 1we3 s ILE 30 Cb 0.00 -3.59 -0.07 0.00 0.01 0.00 0.00 42.46 38.81 1we3 s ILE 30 CO 0.00 -0.56 2.00 -0.69 0.00 0.00 0.00 174.94 175.69 1we3 s VAL 31 N 10.03 3.08 0.18 2.92 1.01 -1.26 -3.27 120.40 133.10 1we3 s VAL 31 Ca 0.79 0.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.63 1we3 s VAL 31 Cb -0.15 -3.08 -0.08 0.00 0.00 0.00 0.00 36.38 33.07 1we3 s VAL 31 CO 0.23 -0.02 0.76 -0.76 0.00 0.00 0.00 175.10 175.31 1we3 s LEU 32 N 5.60 4.51 0.32 3.92 1.43 -0.97 -5.02 118.68 128.48 1we3 s LEU 32 Ca 0.90 1.57 -0.27 0.00 -1.03 0.00 0.00 54.13 55.31 1we3 s LEU 32 Cb -0.38 -3.39 -0.09 0.00 0.03 0.00 0.00 46.19 42.36 1we3 s LEU 32 CO 0.38 0.15 1.00 -2.16 0.23 0.00 0.00 176.35 175.96 1we3 s PRO 33 N -1.41 4.51 0.00 1.29 0.04 -1.26 -4.88 135.00 133.29 1we3 s PRO 33 Ca 0.38 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1we3 s PRO 33 Cb -0.21 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.46 1we3 s PRO 33 CO 0.24 0.18 0.25 -0.25 0.04 0.00 0.00 177.00 177.46 1we3 n ASP 34 N 0.64 0.00 -0.08 6.66 8.00 -1.26 -0.43 116.55 130.08 1we3 n ASP 34 Ca 0.02 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.44 1we3 n ASP 34 Cb 0.48 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.43 1we3 n ASP 34 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1we3 n THR 35 N -0.71 1.16 0.08 -3.53 -1.04 -1.26 -4.40 114.28 104.58 1we3 n THR 35 Ca 0.00 -0.77 -0.16 0.00 -2.04 0.00 0.00 64.05 61.08 1we3 n THR 35 Cb 0.00 -0.45 -0.09 0.00 -1.82 0.00 0.00 70.33 67.98 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 1.02 0.21 -2.30 2.41 0.00 -1.12 -3.44 119.26 116.05 1we3 h ALA 36 Ca -0.46 -0.76 -0.55 0.00 0.00 0.00 0.00 54.91 53.13 1we3 h ALA 36 Cb 2.04 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.83 1we3 h ALA 36 CO 0.03 0.82 0.73 0.15 0.00 0.00 0.00 179.25 180.98 1we3 s LYS 37 N -3.07 4.33 0.54 0.00 1.02 -1.19 -5.03 119.74 116.35 1we3 s LYS 37 Ca -0.06 1.68 0.03 0.00 0.02 0.00 0.00 55.97 57.64 1we3 s LYS 37 Cb 0.08 -3.58 0.04 0.00 -0.52 0.00 0.00 37.83 33.84 1we3 s LYS 37 CO 0.89 -0.48 0.75 -1.83 -0.92 0.00 0.00 175.35 173.75 1we3 s GLU 38 N 2.38 2.51 0.36 1.68 -1.05 -1.26 -4.97 118.70 118.35 1we3 s GLU 38 Ca 0.56 -0.97 -0.27 0.00 -0.15 0.00 0.00 54.97 54.14 1we3 s GLU 38 Cb -0.25 -2.55 -0.09 0.00 -0.44 0.00 0.00 34.13 30.81 1we3 s GLU 38 CO 0.21 -0.69 1.23 -1.59 0.95 0.00 0.00 175.26 175.37 1we3 s LYS 39 N -4.70 4.20 0.61 -4.83 -2.85 -1.26 -4.95 119.74 105.97 1we3 s LYS 39 Ca 0.58 2.01 -0.18 0.00 -1.00 0.00 0.00 55.97 57.38 1we3 s LYS 39 Cb -0.09 -2.88 -0.05 0.00 -2.06 0.00 0.00 37.83 32.74 1we3 s LYS 39 CO 0.38 -0.25 0.78 -0.35 0.10 0.00 0.00 175.35 176.01 1we3 n PRO 40 N 0.45 0.67 -0.38 1.78 -0.04 -1.26 -4.93 135.00 131.28 1we3 n PRO 40 Ca 0.02 0.27 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 1we3 n PRO 40 Cb 0.44 -1.99 0.24 0.00 -0.04 0.00 0.00 33.50 32.15 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 -0.77 3.07 -4.40 0.54 6.02 -1.26 -4.69 117.38 115.89 1we3 n GLN 41 Ca 0.13 -2.58 -0.21 0.00 -0.01 0.00 0.00 57.00 54.33 1we3 n GLN 41 Cb 0.48 -1.66 -0.10 0.00 1.02 0.00 0.00 30.24 29.98 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 -2.08 1.47 0.00 -1.09 1.02 -1.26 -1.12 119.74 116.69 1we3 s LYS 42 Ca 0.37 -1.68 0.00 0.00 0.02 0.00 0.00 55.97 54.68 1we3 s LYS 42 Cb 0.27 -1.32 0.00 0.00 -0.52 0.00 0.00 37.83 36.26 1we3 s LYS 42 CO 0.13 0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.17 1we3 n GLY 43 N -0.49 2.15 3.85 -3.33 0.00 -1.04 -1.39 105.19 104.94 1we3 n GLY 43 Ca -0.07 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 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 3.81 0.39 1.61 1.02 -1.20 -0.17 119.74 123.19 1we3 s LYS 44 Ca 0.00 0.28 -0.25 0.00 0.02 0.00 0.00 55.97 56.02 1we3 s LYS 44 Cb 0.00 -3.20 -0.09 0.00 -0.52 0.00 0.00 37.83 34.03 1we3 s LYS 44 CO 0.00 0.70 1.08 0.08 -0.92 0.00 0.00 175.35 176.29 1we3 s VAL 45 N -1.10 3.57 0.00 3.17 1.01 -0.73 -1.95 120.40 124.38 1we3 s VAL 45 Ca 0.23 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.47 1we3 s VAL 45 Cb -0.16 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1we3 s VAL 45 CO 0.12 0.06 0.28 -0.38 0.00 0.00 0.00 175.10 175.18 1we3 n ILE 46 N 0.08 0.00 -3.15 2.22 2.08 0.11 -3.05 119.36 117.65 1we3 n ILE 46 Ca 0.04 -0.28 0.05 0.00 0.56 0.00 0.00 62.75 63.13 1we3 n ILE 46 Cb 0.48 1.44 -0.01 0.00 -0.75 0.00 0.00 39.64 40.80 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 -0.01 -3.55 0.30 -1.39 0.00 -1.24 -4.98 121.76 110.90 1we3 s ALA 47 Ca 0.00 1.40 -0.15 0.00 0.00 0.00 0.00 51.96 53.21 1we3 s ALA 47 Cb 0.00 -2.61 -0.09 0.00 0.00 0.00 0.00 23.12 20.42 1we3 s ALA 47 CO 0.00 -1.71 0.72 0.08 0.00 0.00 0.00 175.76 174.84 1we3 s VAL 48 N 2.94 4.69 0.37 0.00 1.01 -1.26 -2.33 120.40 125.82 1we3 s VAL 48 Ca 0.11 0.94 0.07 0.00 0.00 0.00 0.00 61.98 63.10 1we3 s VAL 48 Cb -0.07 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 1we3 s VAL 48 CO -0.17 -0.13 0.43 -0.83 0.00 0.00 0.00 175.10 174.40 1we3 s GLY 49 N -2.21 1.83 0.22 4.51 0.00 -0.95 -4.72 107.32 105.99 1we3 s GLY 49 Ca 0.52 -1.64 -0.04 0.00 0.00 0.00 0.00 44.72 43.56 1we3 s GLY 49 CO 0.18 -1.52 1.17 2.41 0.00 0.00 0.00 173.10 175.35 1we3 n THR 50 N -1.60 -0.32 0.00 0.90 -1.04 -1.25 -4.66 114.28 106.32 1we3 n THR 50 Ca 0.02 1.70 0.00 0.00 -2.04 0.00 0.00 64.05 63.73 1we3 n THR 50 Cb 0.59 -2.39 0.00 0.00 -1.82 0.00 0.00 70.33 66.72 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 -1.45 3.48 3.65 3.41 0.00 0.17 -4.70 105.19 109.76 1we3 n GLY 51 Ca 0.14 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 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 -4.41 4.10 -0.53 1.61 1.70 -1.20 -4.54 118.95 115.68 1we3 s ARG 52 Ca 0.00 1.69 -0.27 0.00 -0.47 0.00 0.00 55.73 56.69 1we3 s ARG 52 Cb 0.00 -3.87 -0.02 0.00 -0.57 0.00 0.00 34.95 30.48 1we3 s ARG 52 CO 0.00 -0.90 1.89 0.08 -1.08 0.00 0.00 175.30 175.29 1we3 s VAL 53 N 4.03 3.36 0.73 4.99 1.01 -1.26 -2.50 120.40 130.76 1we3 s VAL 53 Ca 0.61 0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.74 1we3 s VAL 53 Cb -0.24 -3.78 0.19 0.00 0.00 0.00 0.00 36.38 32.55 1we3 s VAL 53 CO 0.21 -0.70 0.42 -0.11 0.00 0.00 0.00 175.10 174.93 1we3 n LEU 54 N 12.40 0.00 0.00 3.92 7.94 0.66 -4.82 117.00 137.10 1we3 n LEU 54 Ca 0.23 -0.43 0.09 0.00 -1.11 0.00 0.00 56.01 54.79 1we3 n LEU 54 Cb 0.51 -0.50 0.43 0.00 0.53 0.00 0.00 43.42 44.39 1we3 n LEU 54 CO 0.70 -2.16 0.81 1.21 -1.11 0.00 0.00 177.39 176.84 1we3 n GLU 55 N -3.63 0.06 -1.39 1.96 2.13 -1.26 -2.89 120.64 115.62 1we3 n GLU 55 Ca 0.07 0.15 -0.15 0.00 0.66 0.00 0.00 57.16 57.89 1we3 n GLU 55 Cb 0.29 -1.50 0.11 0.00 0.27 0.00 0.00 31.44 30.61 1we3 n GLU 55 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1we3 n ASN 56 N -1.45 4.05 0.00 4.31 3.02 -1.26 -4.90 115.26 119.02 1we3 n ASN 56 Ca 0.06 -3.80 0.00 0.00 -0.03 0.00 0.00 54.58 50.81 1we3 n ASN 56 Cb 0.21 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 1we3 n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1we3 n GLY 57 N -0.91 0.01 3.58 7.41 0.00 -1.14 -4.89 105.19 109.24 1we3 n GLY 57 Ca 0.39 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.65 3.58 -0.89 1.61 -0.21 -1.26 -4.77 119.66 116.08 1we3 s GLN 58 Ca 0.00 0.30 -0.24 0.00 0.02 0.00 0.00 55.36 55.44 1we3 s GLN 58 Cb 0.00 -3.96 0.06 0.00 1.00 0.00 0.00 33.01 30.11 1we3 s GLN 58 CO 0.00 -1.44 1.30 1.03 -2.12 0.00 0.00 175.29 174.06 1we3 s ARG 59 N 4.37 3.42 -0.27 2.91 0.52 -1.26 -0.25 118.95 128.39 1we3 s ARG 59 Ca 0.42 -0.92 -0.28 0.00 -0.52 0.00 0.00 55.73 54.42 1we3 s ARG 59 Cb -0.08 -4.83 -0.03 0.00 0.52 0.00 0.00 34.95 30.53 1we3 s ARG 59 CO 0.28 -2.09 1.87 0.08 0.02 0.00 0.00 175.30 175.46 1we3 s VAL 60 N 4.77 3.39 0.99 3.52 1.01 -1.04 -4.84 120.40 128.21 1we3 s VAL 60 Ca 0.38 0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.66 1we3 s VAL 60 Cb -0.05 -3.49 0.17 0.00 0.00 0.00 0.00 36.38 33.01 1we3 s VAL 60 CO -0.00 -0.28 0.96 -2.65 0.00 0.00 0.00 175.10 173.12 1we3 n PRO 61 N 8.33 -0.97 -2.59 2.72 -0.02 -1.26 -3.24 135.00 137.97 1we3 n PRO 61 Ca 0.24 -0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 61.06 1we3 n PRO 61 Cb 0.46 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 1we3 n PRO 61 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1we3 s LEU 62 N -5.75 4.22 0.00 2.45 1.02 -1.26 -4.89 118.68 114.47 1we3 s LEU 62 Ca 0.65 1.60 0.00 0.00 0.02 0.00 0.00 54.13 56.40 1we3 s LEU 62 Cb -0.23 -3.55 0.01 0.00 0.02 0.00 0.00 46.19 42.44 1we3 s LEU 62 CO 0.61 -0.56 0.16 -0.62 0.02 0.00 0.00 176.35 175.97 1we3 n GLU 63 N 5.45 0.01 -5.18 1.70 1.02 -1.26 -4.55 120.64 117.83 1we3 n GLU 63 Ca 0.10 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.93 1we3 n GLU 63 Cb 0.47 -1.15 -0.16 0.00 -0.02 0.00 0.00 31.44 30.58 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 -2.00 2.19 0.56 2.62 1.01 -1.26 -5.11 120.40 118.41 1we3 s VAL 64 Ca 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 1we3 s VAL 64 Cb 0.00 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1we3 s VAL 64 CO 0.00 0.56 0.98 -0.54 0.00 0.00 0.00 175.10 176.10 1we3 s LYS 65 N 0.12 3.72 -1.18 2.72 1.02 -1.26 -4.93 119.74 119.95 1we3 s LYS 65 Ca -0.11 0.76 -0.19 0.00 0.02 0.00 0.00 55.97 56.45 1we3 s LYS 65 Cb -0.16 -2.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1we3 s LYS 65 CO 0.06 -0.41 1.98 -1.91 -0.92 0.00 0.00 175.35 174.15 1we3 n GLU 66 N -2.23 2.32 0.00 1.68 2.13 -1.26 -3.16 120.64 120.12 1we3 n GLU 66 Ca 0.06 -2.52 0.00 0.00 0.66 0.00 0.00 57.16 55.36 1we3 n GLU 66 Cb 0.54 -3.31 0.00 0.00 0.27 0.00 0.00 31.44 28.94 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 4.82 -0.18 3.91 8.31 0.00 -1.17 -4.88 105.19 116.00 1we3 n GLY 67 Ca 0.49 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.24 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 5.20 -0.35 1.61 1.01 -1.19 -4.65 116.67 118.31 1we3 s ASP 68 Ca 0.00 0.71 -0.18 0.00 0.71 0.00 0.00 52.55 53.79 1we3 s ASP 68 Cb 0.00 -1.51 -0.00 0.00 1.01 0.00 0.00 42.92 42.42 1we3 s ASP 68 CO 0.00 -1.37 0.51 -0.63 0.21 0.00 0.00 175.17 173.88 1we3 s ILE 69 N -3.20 5.02 0.07 0.77 1.01 -1.26 -1.77 121.20 121.85 1we3 s ILE 69 Ca 0.57 0.35 0.04 0.00 0.00 0.00 0.00 60.65 61.62 1we3 s ILE 69 Cb -0.11 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1we3 s ILE 69 CO 0.47 -0.20 -0.01 -0.69 0.00 0.00 0.00 174.94 174.51 1we3 s VAL 70 N 2.38 3.98 -0.26 2.92 1.01 0.75 -0.31 120.40 130.87 1we3 s VAL 70 Ca 0.18 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1we3 s VAL 70 Cb -0.15 -2.87 0.04 0.00 0.00 0.00 0.00 36.38 33.40 1we3 s VAL 70 CO 0.13 0.17 -0.07 -0.69 0.00 0.00 0.00 175.10 174.65 1we3 s VAL 71 N -1.25 2.70 0.20 2.92 1.01 -0.37 -2.51 120.40 123.10 1we3 s VAL 71 Ca 0.24 -1.23 0.06 0.00 0.00 0.00 0.00 61.98 61.05 1we3 s VAL 71 Cb -0.12 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1we3 s VAL 71 CO 0.16 0.10 -0.09 0.72 0.00 0.00 0.00 175.10 175.99 1we3 s PHE 72 N 1.26 1.55 -1.16 5.22 -0.12 -0.27 -0.18 117.98 124.28 1we3 s PHE 72 Ca -0.03 -0.72 -0.22 0.00 -0.05 0.00 0.00 56.93 55.92 1we3 s PHE 72 Cb -0.18 -0.80 -0.03 0.00 -0.63 0.00 0.00 43.02 41.39 1we3 s PHE 72 CO -0.04 0.18 1.84 0.00 -0.05 0.00 0.00 175.22 177.14 1we3 s ALA 73 N -3.19 2.28 0.06 1.99 0.00 -1.17 -4.64 121.76 117.09 1we3 s ALA 73 Ca 0.22 -2.28 0.04 0.00 0.00 0.00 0.00 51.96 49.94 1we3 s ALA 73 Cb 0.02 -4.64 0.13 0.00 0.00 0.00 0.00 23.12 18.63 1we3 s ALA 73 CO 0.05 -4.49 0.14 0.36 0.00 0.00 0.00 175.76 171.82 1we3 n LYS 74 N 8.46 0.00 -0.10 0.00 2.85 -1.26 -1.29 118.16 126.82 1we3 n LYS 74 Ca 0.44 0.10 -0.14 0.00 -1.05 0.00 0.00 58.31 57.66 1we3 n LYS 74 Cb 0.47 -0.24 -0.03 0.00 -0.65 0.00 0.00 35.03 34.57 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 1.13 -3.16 5.58 -0.00 -1.94 -3.47 116.97 115.12 1we3 h TYR 75 Ca 0.07 -0.37 -0.46 0.00 0.00 0.00 0.00 58.73 57.97 1we3 h TYR 75 Cb 0.32 -0.22 0.12 0.00 0.00 0.00 0.00 36.73 36.95 1we3 h TYR 75 CO 0.00 1.21 0.26 0.20 -0.00 0.00 0.00 178.16 179.83 1we3 s GLY 76 N -3.90 1.76 0.10 0.10 0.00 -0.41 -5.00 107.32 99.98 1we3 s GLY 76 Ca -0.11 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.20 1we3 s GLY 76 CO 0.89 -0.77 0.00 0.61 0.00 0.00 0.00 173.10 173.83 1we3 n GLY 77 N -3.26 -3.87 3.53 0.20 0.00 -1.26 -4.95 105.19 95.58 1we3 n GLY 77 Ca 0.14 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.09 0.28 -4.15 2.61 -1.04 -1.21 -4.72 114.28 105.96 1we3 n THR 78 Ca 0.00 -0.14 -0.16 0.00 -2.04 0.00 0.00 64.05 61.71 1we3 n THR 78 Cb 0.00 -0.81 -0.12 0.00 -1.82 0.00 0.00 70.33 67.58 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 -3.99 0.68 0.17 -2.82 2.02 -1.26 -0.81 118.70 112.69 1we3 s GLU 79 Ca 0.62 -0.78 -0.21 0.00 0.02 0.00 0.00 54.97 54.63 1we3 s GLU 79 Cb -0.23 -0.57 0.05 0.00 0.10 0.00 0.00 34.13 33.48 1we3 s GLU 79 CO 0.62 0.13 0.56 0.42 0.02 0.00 0.00 175.26 177.01 1we3 s ILE 80 N -1.18 0.02 0.16 -1.63 1.09 -0.14 -4.96 121.20 114.56 1we3 s ILE 80 Ca -0.05 -0.33 0.10 0.00 -1.10 0.00 0.00 60.65 59.27 1we3 s ILE 80 Cb -0.09 -1.23 -0.04 0.00 -1.06 0.00 0.00 42.46 40.04 1we3 s ILE 80 CO 0.01 -0.08 -0.18 -0.70 -0.10 0.00 0.00 174.94 173.89 1we3 s GLU 81 N -3.80 1.75 -0.13 2.79 2.12 -1.26 0.11 118.70 120.29 1we3 s GLU 81 Ca 0.04 -1.33 -0.06 0.00 0.36 0.00 0.00 54.97 53.97 1we3 s GLU 81 Cb -0.01 -2.02 0.05 0.00 0.26 0.00 0.00 34.13 32.41 1we3 s GLU 81 CO -0.09 0.44 0.31 0.42 -0.54 0.00 0.00 175.26 175.79 1we3 s ILE 82 N -1.48 -0.12 -1.54 -3.70 1.01 0.33 -4.89 121.20 110.80 1we3 s ILE 82 Ca 0.21 0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.94 1we3 s ILE 82 Cb -0.09 -0.47 0.06 0.00 0.01 0.00 0.00 42.46 41.96 1we3 s ILE 82 CO 0.11 0.06 0.45 0.47 0.00 0.00 0.00 174.94 176.03 1we3 n ASP 83 N 4.45 -0.97 -2.20 3.58 9.92 -1.26 -2.83 116.55 127.23 1we3 n ASP 83 Ca -0.21 -1.08 -0.04 0.00 -0.53 0.00 0.00 54.79 52.93 1we3 n ASP 83 Cb 0.53 -2.60 0.02 0.00 -0.64 0.00 0.00 41.12 38.43 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 -1.90 -0.23 0.00 0.44 0.00 -1.26 -5.07 105.19 97.18 1we3 n GLY 84 Ca -0.19 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.90 0.00 -4.70 1.61 4.07 -1.13 -5.17 120.64 113.43 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 -0.12 0.00 -0.06 0.00 0.00 31.44 31.79 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 -0.27 2.89 0.40 5.31 -1.05 -1.26 0.12 118.70 124.84 1we3 s GLU 86 Ca 0.00 -0.61 0.05 0.00 -0.15 0.00 0.00 54.97 54.26 1we3 s GLU 86 Cb 0.00 -2.58 -0.02 0.00 -0.44 0.00 0.00 34.13 31.09 1we3 s GLU 86 CO 0.00 0.54 0.17 0.71 0.95 0.00 0.00 175.26 177.63 1we3 s TYR 87 N -0.47 1.77 -0.10 4.83 1.51 0.29 -4.74 117.35 120.44 1we3 s TYR 87 Ca 0.07 -1.41 0.02 0.00 -1.01 0.00 0.00 57.07 54.74 1we3 s TYR 87 Cb -0.12 -1.04 0.01 0.00 -0.11 0.00 0.00 41.96 40.70 1we3 s TYR 87 CO 0.02 -0.47 -0.15 0.08 -1.11 0.00 0.00 175.55 173.93 1we3 s VAL 88 N -3.26 1.44 -0.89 0.71 1.01 -0.36 -0.96 120.40 118.09 1we3 s VAL 88 Ca 0.27 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.46 1we3 s VAL 88 Cb 0.02 -1.31 0.16 0.00 0.00 0.00 0.00 36.38 35.25 1we3 s VAL 88 CO 0.18 0.43 1.00 -0.63 0.00 0.00 0.00 175.10 176.08 1we3 s ILE 89 N 0.90 5.04 0.55 2.22 1.01 0.01 -1.36 121.20 129.57 1we3 s ILE 89 Ca -0.09 -1.89 0.01 0.00 0.00 0.00 0.00 60.65 58.68 1we3 s ILE 89 Cb -0.15 -4.67 0.03 0.00 0.01 0.00 0.00 42.46 37.68 1we3 s ILE 89 CO 0.00 -1.34 0.77 -0.76 0.00 0.00 0.00 174.94 173.62 1we3 s LEU 90 N 1.80 3.29 0.54 2.97 1.43 -1.14 -3.36 118.68 124.21 1we3 s LEU 90 Ca 0.27 0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.47 1we3 s LEU 90 Cb -0.07 -2.90 0.05 0.00 0.03 0.00 0.00 46.19 43.30 1we3 s LEU 90 CO -0.09 -1.12 0.52 -0.44 0.23 0.00 0.00 176.35 175.45 1we3 s SER 91 N -4.41 4.79 0.21 2.29 0.01 -1.26 -1.39 113.70 113.94 1we3 s SER 91 Ca 0.57 -1.10 -0.05 0.00 1.31 0.00 0.00 55.95 56.68 1we3 s SER 91 Cb -0.10 0.32 0.16 0.00 0.21 0.00 0.00 66.02 66.61 1we3 s SER 91 CO 0.39 -1.14 1.60 -0.08 0.41 0.00 0.00 173.24 174.41 1we3 h GLU 92 N 0.60 0.76 -0.69 12.44 4.81 -1.94 -2.88 114.58 127.67 1we3 h GLU 92 Ca -0.35 -0.33 0.07 0.00 -0.13 0.00 0.00 59.36 58.62 1we3 h GLU 92 Cb 1.30 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.59 1we3 h GLU 92 CO 0.52 0.95 0.37 0.00 -0.73 0.00 0.00 179.01 180.12 1we3 h ARG 93 N 0.65 0.65 0.00 1.92 3.08 -1.95 -0.96 114.38 117.77 1we3 h ARG 93 Ca 0.08 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1we3 h ARG 93 Cb 0.79 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 1we3 h ARG 93 CO 0.07 0.43 -0.15 -0.44 -1.07 0.00 0.00 179.97 178.80 1we3 h ASP 94 N 0.67 0.00 -3.09 7.04 3.32 -1.91 -3.41 116.42 119.04 1we3 h ASP 94 Ca 0.32 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.80 1we3 h ASP 94 Cb 0.25 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 1we3 h ASP 94 CO -0.21 0.15 0.95 -0.76 -1.72 0.00 0.00 179.24 177.66 1we3 s LEU 95 N -7.63 3.95 -0.14 1.55 1.43 -0.37 -3.04 118.68 114.43 1we3 s LEU 95 Ca -0.03 1.32 0.08 0.00 -1.03 0.00 0.00 54.13 54.46 1we3 s LEU 95 Cb 0.14 -3.54 -0.23 0.00 0.03 0.00 0.00 46.19 42.59 1we3 s LEU 95 CO 0.62 -1.00 0.26 0.18 0.23 0.00 0.00 176.35 176.65 1we3 n LEU 96 N 7.37 1.44 -3.95 1.79 4.77 0.75 -4.98 117.00 124.18 1we3 n LEU 96 Ca 0.14 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1we3 n LEU 96 Cb 0.46 -0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1we3 n LEU 96 CO 0.61 0.63 0.98 0.00 -1.33 0.00 0.00 177.39 178.29 1we3 s ALA 97 N -2.54 -2.11 0.02 -1.18 0.00 -1.04 -5.00 121.76 109.90 1we3 s ALA 97 Ca -0.16 -0.14 0.04 0.00 0.00 0.00 0.00 51.96 51.70 1we3 s ALA 97 Cb 0.07 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.03 1we3 s ALA 97 CO 0.77 -1.12 -0.11 0.08 0.00 0.00 0.00 175.76 175.38 1we3 s VAL 98 N -2.05 0.89 -0.20 0.00 1.01 -1.26 -1.23 120.40 117.55 1we3 s VAL 98 Ca 0.27 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 1we3 s VAL 98 Cb -0.01 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 1we3 s VAL 98 CO 0.02 0.07 0.24 -0.76 0.00 0.00 0.00 175.10 174.67 1we3 s LEU 99 N -0.73 4.18 0.00 3.92 1.02 0.57 -4.98 118.68 122.66 1we3 s LEU 99 Ca 0.02 0.34 0.06 0.00 0.02 0.00 0.00 54.13 54.56 1we3 s LEU 99 Cb -0.06 -2.26 0.04 0.00 0.02 0.00 0.00 46.19 43.93 1we3 s LEU 99 CO 0.00 0.07 0.68 0.00 0.02 0.00 0.00 176.35 177.12