#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 0.12 -0.11 0.58 -4.23 -1.26 -5.17 115.64 105.57 1we3 s THR 6 Ca 0.00 -0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 59.53 1we3 s THR 6 Cb 0.00 -0.52 -0.03 0.00 1.34 0.00 0.00 72.50 73.29 1we3 s THR 6 CO 0.00 -0.53 -0.04 -0.69 -0.54 0.00 0.00 174.62 172.81 1we3 s VAL 7 N -1.85 3.87 -0.05 2.29 1.01 -1.26 -5.08 120.40 119.33 1we3 s VAL 7 Ca -0.12 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.25 1we3 s VAL 7 Cb -0.06 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1we3 s VAL 7 CO -0.02 0.55 0.66 -0.63 0.00 0.00 0.00 175.10 175.67 1we3 s ILE 8 N -0.27 5.00 -0.62 2.22 1.09 -1.26 -5.03 121.20 122.33 1we3 s ILE 8 Ca 0.04 1.37 0.04 0.00 -1.10 0.00 0.00 60.65 61.01 1we3 s ILE 8 Cb -0.13 -4.00 0.16 0.00 -1.06 0.00 0.00 42.46 37.43 1we3 s ILE 8 CO 0.02 0.31 0.41 -0.75 -0.10 0.00 0.00 174.94 174.83 1we3 s LYS 9 N 0.49 2.11 1.07 2.79 2.20 -1.26 -4.91 119.74 122.23 1we3 s LYS 9 Ca 0.35 -2.97 -0.13 0.00 -0.36 0.00 0.00 55.97 52.86 1we3 s LYS 9 Cb -0.18 -3.09 0.20 0.00 -1.51 0.00 0.00 37.83 33.25 1we3 s LYS 9 CO 0.18 -1.25 0.86 -0.35 -0.36 0.00 0.00 175.35 174.42 1we3 n PRO 10 N 2.40 -1.56 0.00 4.03 -0.04 -1.26 -5.05 135.00 133.52 1we3 n PRO 10 Ca 0.17 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1we3 n PRO 10 Cb 0.36 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 1we3 n PRO 10 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1we3 n LEU 11 N -3.97 0.00 -1.07 1.53 4.32 -1.26 -4.42 117.00 112.13 1we3 n LEU 11 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 1we3 n LEU 11 Cb 0.54 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.34 1we3 n LEU 11 CO 0.53 0.00 0.20 0.61 -1.22 0.00 0.00 177.39 177.52 1we3 n GLY 12 N 5.00 0.00 1.72 -0.72 0.00 -1.26 0.23 105.19 110.16 1we3 n GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1we3 n GLY 12 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1we3 n ASP 13 N 1.08 0.00 -4.70 1.61 -0.08 -0.31 -4.73 116.55 109.42 1we3 n ASP 13 Ca 0.00 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.86 1we3 n ASP 13 Cb 0.10 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.53 1we3 n ASP 13 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1we3 s ARG 14 N -0.43 4.47 0.51 -0.67 0.52 0.14 -3.45 118.95 120.03 1we3 s ARG 14 Ca 0.00 1.46 0.08 0.00 -0.52 0.00 0.00 55.73 56.75 1we3 s ARG 14 Cb 0.00 -3.50 0.04 0.00 0.52 0.00 0.00 34.95 32.01 1we3 s ARG 14 CO 0.00 -0.22 0.59 0.14 0.02 0.00 0.00 175.30 175.83 1we3 s VAL 15 N 1.57 2.33 -0.30 3.52 -7.23 0.07 -3.21 120.40 117.15 1we3 s VAL 15 Ca 0.51 -1.16 -0.01 0.00 -1.81 0.00 0.00 61.98 59.51 1we3 s VAL 15 Cb -0.21 -2.49 0.10 0.00 0.56 0.00 0.00 36.38 34.34 1we3 s VAL 15 CO 0.23 0.00 0.10 -0.69 -0.31 0.00 0.00 175.10 174.43 1we3 s VAL 16 N -2.58 0.69 0.23 1.32 1.01 -1.04 -2.59 120.40 117.44 1we3 s VAL 16 Ca 0.53 -1.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1we3 s VAL 16 Cb -0.06 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 1we3 s VAL 16 CO 0.32 -0.68 0.44 -0.69 0.00 0.00 0.00 175.10 174.50 1we3 s VAL 17 N 1.71 5.14 -0.35 2.92 1.01 -0.76 0.74 120.40 130.81 1we3 s VAL 17 Ca 0.09 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1we3 s VAL 17 Cb -0.17 -3.72 0.10 0.00 0.00 0.00 0.00 36.38 32.59 1we3 s VAL 17 CO -0.27 -0.21 0.09 -0.75 0.00 0.00 0.00 175.10 173.96 1we3 s LYS 18 N -3.35 1.35 0.85 2.72 2.47 -0.88 -0.68 119.74 122.22 1we3 s LYS 18 Ca 0.40 -1.77 -0.16 0.00 -1.56 0.00 0.00 55.97 52.88 1we3 s LYS 18 Cb -0.11 -2.92 -0.14 0.00 -1.46 0.00 0.00 37.83 33.20 1we3 s LYS 18 CO 0.29 -0.97 -0.63 0.54 0.16 0.00 0.00 175.35 174.73 1we3 n ARG 19 N 4.25 0.00 -3.91 4.03 1.74 -1.25 -3.05 116.66 118.46 1we3 n ARG 19 Ca 0.03 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.83 1we3 n ARG 19 Cb 0.41 -0.94 -0.17 0.00 -1.02 0.00 0.00 32.46 30.74 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 -1.88 1.16 0.32 0.55 1.01 -0.99 -4.81 121.20 116.56 1we3 s ILE 20 Ca 0.41 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 60.22 1we3 s ILE 20 Cb -0.23 -1.25 -0.10 0.00 0.01 0.00 0.00 42.46 40.89 1we3 s ILE 20 CO 0.75 0.24 1.30 -1.83 0.00 0.00 0.00 174.94 175.39 1we3 s GLU 21 N 1.63 4.37 0.73 2.79 1.03 -1.26 -4.65 118.70 123.34 1we3 s GLU 21 Ca 0.02 2.19 -0.12 0.00 0.03 0.00 0.00 54.97 57.09 1we3 s GLU 21 Cb -0.14 -3.08 0.04 0.00 -0.80 0.00 0.00 34.13 30.14 1we3 s GLU 21 CO -0.08 -0.17 1.10 -1.21 -1.33 0.00 0.00 175.26 173.57 1we3 s GLU 22 N -1.69 2.44 0.60 -4.83 8.01 -1.26 -4.96 118.70 117.01 1we3 s GLU 22 Ca 0.49 1.27 -0.19 0.00 0.01 0.00 0.00 54.97 56.55 1we3 s GLU 22 Cb -0.39 -1.91 -0.05 0.00 -4.31 0.00 0.00 34.13 27.47 1we3 s GLU 22 CO 0.51 -1.51 0.98 0.39 0.01 0.00 0.00 175.26 175.64 1we3 n GLU 23 N -3.10 0.92 -0.17 1.61 1.02 -1.26 -4.87 120.64 114.78 1we3 n GLU 23 Ca 0.10 0.36 0.06 0.00 -0.02 0.00 0.00 57.16 57.65 1we3 n GLU 23 Cb 0.53 -2.18 0.35 0.00 -0.02 0.00 0.00 31.44 30.12 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 0.52 0.73 0.00 3.49 0.13 -1.96 -3.43 132.00 131.48 1we3 h PRO 24 Ca -0.48 -0.04 -0.29 0.00 -0.87 0.00 0.00 66.00 64.31 1we3 h PRO 24 Cb 1.36 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1we3 h PRO 24 CO 0.51 0.49 -0.09 1.63 -0.23 0.00 0.00 178.00 180.30 1we3 n LYS 25 N -4.47 0.92 -0.58 0.86 5.02 -1.26 -2.21 118.16 116.43 1we3 n LYS 25 Ca 0.10 -1.78 0.00 0.00 -2.02 0.00 0.00 58.31 54.61 1we3 n LYS 25 Cb 0.21 0.03 0.00 0.00 -0.02 0.00 0.00 35.03 35.25 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 -1.45 0.00 0.59 -0.18 -2.24 -1.22 -4.85 114.28 104.93 1we3 n THR 26 Ca 0.04 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 1we3 n THR 26 Cb 0.33 -0.09 0.45 0.00 -2.10 0.00 0.00 70.33 68.93 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 -0.03 0.17 0.00 -0.78 2.85 -1.26 -2.49 118.16 116.63 1we3 n LYS 27 Ca 0.00 0.26 0.10 0.00 -1.05 0.00 0.00 58.31 57.62 1we3 n LYS 27 Cb 0.00 -1.75 -0.09 0.00 -0.65 0.00 0.00 35.03 32.54 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 0.75 -0.96 0.83 2.58 0.00 -1.26 -4.95 105.19 102.18 1we3 n GLY 28 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 1.50 0.65 3.55 -0.02 0.00 -1.04 -5.01 105.19 104.82 1we3 n GLY 29 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.54 3.33 -0.19 -0.61 1.01 -1.26 -4.56 121.20 116.38 1we3 s ILE 30 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 60.65 60.36 1we3 s ILE 30 Cb 0.00 -3.82 -0.06 0.00 0.01 0.00 0.00 42.46 38.59 1we3 s ILE 30 CO 0.00 -0.79 2.19 0.52 0.00 0.00 0.00 174.94 176.86 1we3 n VAL 31 N 7.58 0.39 -2.83 2.92 0.31 -1.26 -3.41 118.33 122.03 1we3 n VAL 31 Ca 0.29 -0.41 -0.39 0.00 -0.01 0.00 0.00 64.34 63.82 1we3 n VAL 31 Cb 0.50 -2.50 -0.06 0.00 -0.91 0.00 0.00 33.84 30.88 1we3 n VAL 31 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1we3 s LEU 32 N 7.79 4.54 0.45 7.52 1.43 -0.94 -5.00 118.68 134.46 1we3 s LEU 32 Ca 1.00 1.82 -0.22 0.00 -1.03 0.00 0.00 54.13 55.69 1we3 s LEU 32 Cb -0.37 -3.65 -0.08 0.00 0.03 0.00 0.00 46.19 42.12 1we3 s LEU 32 CO 0.37 0.10 1.08 -2.16 0.23 0.00 0.00 176.35 175.97 1we3 s PRO 33 N -1.46 3.89 0.00 1.29 0.04 -1.26 -4.88 135.00 132.63 1we3 s PRO 33 Ca 0.42 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1we3 s PRO 33 Cb -0.23 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1we3 s PRO 33 CO 0.28 -0.38 0.19 -0.25 0.04 0.00 0.00 177.00 176.88 1we3 n ASP 34 N -0.55 0.01 -0.03 6.66 8.00 -1.26 -0.75 116.55 128.63 1we3 n ASP 34 Ca 0.07 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.18 1we3 n ASP 34 Cb 0.50 -0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.52 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 -0.46 0.34 -0.06 -3.53 -1.04 -1.26 -4.66 114.28 103.60 1we3 n THR 35 Ca 0.00 -0.33 -0.14 0.00 -2.04 0.00 0.00 64.05 61.55 1we3 n THR 35 Cb 0.00 -0.26 -0.12 0.00 -1.82 0.00 0.00 70.33 68.13 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 0.71 -0.00 -2.46 2.41 0.00 -1.31 -3.45 119.26 115.16 1we3 h ALA 36 Ca -0.14 -0.46 -0.54 0.00 0.00 0.00 0.00 54.91 53.77 1we3 h ALA 36 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1we3 h ALA 36 CO 0.01 -0.03 0.60 -1.59 0.00 0.00 0.00 179.25 178.24 1we3 s LYS 37 N -2.41 4.41 0.53 0.00 -2.85 -1.16 -5.03 119.74 113.22 1we3 s LYS 37 Ca -0.18 1.79 0.05 0.00 -1.00 0.00 0.00 55.97 56.63 1we3 s LYS 37 Cb -0.02 -3.37 0.10 0.00 -2.06 0.00 0.00 37.83 32.47 1we3 s LYS 37 CO 0.67 -0.31 0.72 -0.85 0.10 0.00 0.00 175.35 175.69 1we3 n GLU 38 N 4.14 0.41 -1.72 1.78 0.00 -1.26 -4.94 120.64 119.05 1we3 n GLU 38 Ca 0.10 -2.43 -0.42 0.00 0.00 0.00 0.00 57.16 54.40 1we3 n GLU 38 Cb 0.46 -0.34 -0.03 0.00 0.00 0.00 0.00 31.44 31.53 1we3 n GLU 38 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1we3 n LYS 39 N -2.23 2.70 -1.46 3.44 5.02 -1.26 -4.94 118.16 119.43 1we3 n LYS 39 Ca 0.14 0.97 -0.36 0.00 -2.02 0.00 0.00 58.31 57.04 1we3 n LYS 39 Cb 0.49 -2.80 0.09 0.00 -0.02 0.00 0.00 35.03 32.79 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 3.63 0.69 -0.28 1.97 -0.04 -1.26 -4.92 135.00 134.79 1we3 n PRO 40 Ca 0.15 0.30 0.08 0.00 -0.04 0.00 0.00 63.50 63.99 1we3 n PRO 40 Cb 0.34 -2.39 0.24 0.00 -0.04 0.00 0.00 33.50 31.65 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 -2.17 2.86 -4.41 0.54 6.02 -1.26 -4.70 117.38 114.25 1we3 n GLN 41 Ca 0.14 -2.36 -0.26 0.00 -0.01 0.00 0.00 57.00 54.51 1we3 n GLN 41 Cb 0.49 -1.44 -0.09 0.00 1.02 0.00 0.00 30.24 30.22 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 -1.09 2.03 0.00 -1.09 1.02 -1.26 -1.18 119.74 118.18 1we3 s LYS 42 Ca 0.36 -1.92 0.00 0.00 0.02 0.00 0.00 55.97 54.43 1we3 s LYS 42 Cb 0.19 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.69 1we3 s LYS 42 CO 0.23 0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.09 1we3 n GLY 43 N -1.00 2.63 3.86 -3.33 0.00 -1.05 -2.35 105.19 103.95 1we3 n GLY 43 Ca -0.04 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 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 3.62 0.14 1.61 1.02 -1.17 -0.06 119.74 122.90 1we3 s LYS 44 Ca 0.00 -0.01 -0.30 0.00 0.02 0.00 0.00 55.97 55.67 1we3 s LYS 44 Cb 0.00 -3.22 -0.07 0.00 -0.52 0.00 0.00 37.83 34.02 1we3 s LYS 44 CO 0.00 0.71 1.24 0.08 -0.92 0.00 0.00 175.35 176.46 1we3 s VAL 45 N -0.90 3.64 -0.61 3.17 1.01 -0.62 -2.07 120.40 124.02 1we3 s VAL 45 Ca 0.16 1.28 0.06 0.00 0.00 0.00 0.00 61.98 63.48 1we3 s VAL 45 Cb -0.13 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.45 1we3 s VAL 45 CO 0.06 0.16 0.57 -0.38 0.00 0.00 0.00 175.10 175.50 1we3 n ILE 46 N 3.16 0.00 -3.05 2.22 2.08 0.23 -1.84 119.36 122.16 1we3 n ILE 46 Ca 0.07 -0.47 0.04 0.00 0.56 0.00 0.00 62.75 62.95 1we3 n ILE 46 Cb 0.45 1.09 0.00 0.00 -0.75 0.00 0.00 39.64 40.43 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 -0.72 -4.11 0.65 -1.39 0.00 -1.23 -4.95 121.76 110.01 1we3 s ALA 47 Ca 0.06 1.32 -0.11 0.00 0.00 0.00 0.00 51.96 53.22 1we3 s ALA 47 Cb 0.05 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.27 1we3 s ALA 47 CO 0.10 -2.20 1.05 0.14 0.00 0.00 0.00 175.76 174.85 1we3 s VAL 48 N 2.68 4.32 0.47 0.00 -7.23 -1.26 -2.49 120.40 116.90 1we3 s VAL 48 Ca 0.24 0.75 0.02 0.00 -1.81 0.00 0.00 61.98 61.19 1we3 s VAL 48 Cb -0.01 -3.70 -0.01 0.00 0.56 0.00 0.00 36.38 33.22 1we3 s VAL 48 CO -0.21 -0.99 0.08 -0.83 -0.31 0.00 0.00 175.10 172.85 1we3 s GLY 49 N -4.14 2.89 0.48 2.32 0.00 -1.20 -4.68 107.32 102.99 1we3 s GLY 49 Ca 0.56 -0.69 -0.19 0.00 0.00 0.00 0.00 44.72 44.41 1we3 s GLY 49 CO 0.54 -2.00 -0.02 2.41 0.00 0.00 0.00 173.10 174.03 1we3 n THR 50 N -1.11 0.32 -1.04 0.90 -1.04 -1.26 -4.56 114.28 106.50 1we3 n THR 50 Ca -0.13 -0.50 -0.26 0.00 -2.04 0.00 0.00 64.05 61.13 1we3 n THR 50 Cb 0.66 -0.05 0.21 0.00 -1.82 0.00 0.00 70.33 69.33 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 2.41 -2.63 3.62 3.41 0.00 -1.26 -1.16 105.19 109.58 1we3 n GLY 51 Ca 0.09 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 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 -5.16 4.05 -0.63 1.61 1.70 -0.95 -3.87 118.95 115.69 1we3 s ARG 52 Ca 0.61 0.71 -0.26 0.00 -0.47 0.00 0.00 55.73 56.32 1we3 s ARG 52 Cb -0.06 -3.69 -0.05 0.00 -0.57 0.00 0.00 34.95 30.58 1we3 s ARG 52 CO 0.47 -0.61 2.11 0.08 -1.08 0.00 0.00 175.30 176.26 1we3 s VAL 53 N 2.90 3.22 0.00 4.99 1.01 -1.26 -3.01 120.40 128.24 1we3 s VAL 53 Ca 0.33 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1we3 s VAL 53 Cb -0.15 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1we3 s VAL 53 CO 0.11 -0.53 0.00 0.18 0.00 0.00 0.00 175.10 174.85 1we3 n LEU 54 N 14.58 0.00 0.22 3.92 4.77 -1.15 -4.84 117.00 134.50 1we3 n LEU 54 Ca 0.31 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.40 1we3 n LEU 54 Cb 0.51 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.91 1we3 n LEU 54 CO 0.68 -0.98 0.79 -0.33 -1.33 0.00 0.00 177.39 176.22 1we3 h GLU 55 N 0.00 0.00 -0.62 3.23 5.08 -1.93 -3.18 114.58 117.16 1we3 h GLU 55 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 1we3 h GLU 55 Cb 0.00 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.05 1we3 h GLU 55 CO 0.00 0.13 0.15 0.27 -1.00 0.00 0.00 179.01 178.55 1we3 n ASN 56 N -3.17 3.46 -0.83 1.42 0.23 -1.26 -4.91 115.26 110.20 1we3 n ASN 56 Ca 0.02 -3.75 -0.11 0.00 -0.53 0.00 0.00 54.58 50.22 1we3 n ASN 56 Cb 0.50 -0.70 -0.05 0.00 -2.08 0.00 0.00 39.78 37.45 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 -1.08 1.17 3.43 4.83 0.00 -1.20 -4.98 105.19 107.35 1we3 n GLY 57 Ca 0.44 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 1we3 n GLY 57 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1we3 s GLN 58 N -2.78 3.03 -0.82 1.61 -2.07 -1.26 -4.79 119.66 112.58 1we3 s GLN 58 Ca 0.00 -1.11 -0.25 0.00 -1.82 0.00 0.00 55.36 52.18 1we3 s GLN 58 Cb 0.00 -4.08 -0.05 0.00 -1.09 0.00 0.00 33.01 27.80 1we3 s GLN 58 CO 0.00 -1.00 1.97 1.03 -1.32 0.00 0.00 175.29 175.97 1we3 s ARG 59 N 1.93 2.50 -0.19 9.60 0.52 -1.26 -2.95 118.95 129.11 1we3 s ARG 59 Ca 0.08 -0.01 -0.29 0.00 -0.52 0.00 0.00 55.73 54.99 1we3 s ARG 59 Cb -0.21 -4.89 -0.02 0.00 0.52 0.00 0.00 34.95 30.35 1we3 s ARG 59 CO 0.09 -3.31 1.40 0.08 0.02 0.00 0.00 175.30 173.58 1we3 s VAL 60 N 10.22 4.04 0.74 3.52 1.01 -1.17 -4.73 120.40 134.04 1we3 s VAL 60 Ca 0.71 1.22 -0.15 0.00 0.00 0.00 0.00 61.98 63.76 1we3 s VAL 60 Cb -0.09 -3.90 0.04 0.00 0.00 0.00 0.00 36.38 32.44 1we3 s VAL 60 CO 0.05 -0.23 1.21 -2.65 0.00 0.00 0.00 175.10 173.49 1we3 n PRO 61 N 7.03 0.59 -2.29 2.72 -0.02 -1.26 -2.25 135.00 139.53 1we3 n PRO 61 Ca 0.15 0.27 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 1we3 n PRO 61 Cb 0.45 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 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 -4.86 4.33 0.00 2.45 1.43 -1.26 -4.86 118.68 115.90 1we3 s LEU 62 Ca 0.77 2.08 0.03 0.00 -1.03 0.00 0.00 54.13 55.98 1we3 s LEU 62 Cb -0.33 -3.57 0.17 0.00 0.03 0.00 0.00 46.19 42.49 1we3 s LEU 62 CO 0.46 -0.65 0.54 -0.62 0.23 0.00 0.00 176.35 176.32 1we3 n GLU 63 N 4.92 0.12 -4.48 1.70 1.02 -1.26 -4.59 120.64 118.07 1we3 n GLU 63 Ca 0.12 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.92 1we3 n GLU 63 Cb 0.44 -1.35 -0.15 0.00 -0.02 0.00 0.00 31.44 30.36 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 3.00 0.42 2.62 1.01 -1.26 -5.11 120.40 119.08 1we3 s VAL 64 Ca 0.04 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 1we3 s VAL 64 Cb 0.02 -2.29 -0.11 0.00 0.00 0.00 0.00 36.38 34.01 1we3 s VAL 64 CO 0.03 0.50 0.95 -0.54 0.00 0.00 0.00 175.10 176.04 1we3 s LYS 65 N 0.76 4.25 -0.85 2.72 1.02 -1.26 -4.90 119.74 121.48 1we3 s LYS 65 Ca -0.05 1.15 -0.26 0.00 0.02 0.00 0.00 55.97 56.83 1we3 s LYS 65 Cb -0.15 -2.24 -0.23 0.00 -0.52 0.00 0.00 37.83 34.69 1we3 s LYS 65 CO 0.01 -0.01 1.95 -1.91 -0.92 0.00 0.00 175.35 174.47 1we3 n GLU 66 N -0.52 0.52 0.00 1.68 2.13 -1.26 -2.43 120.64 120.76 1we3 n GLU 66 Ca 0.07 -1.74 0.00 0.00 0.66 0.00 0.00 57.16 56.15 1we3 n GLU 66 Cb 0.54 -3.51 0.00 0.00 0.27 0.00 0.00 31.44 28.73 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 5.68 -0.68 3.93 8.31 0.00 -0.76 -4.90 105.19 116.77 1we3 n GLY 67 Ca 0.44 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.21 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 5.41 -0.33 1.61 1.01 -1.02 -4.65 116.67 118.71 1we3 s ASP 68 Ca 0.00 0.47 -0.19 0.00 0.71 0.00 0.00 52.55 53.54 1we3 s ASP 68 Cb 0.00 -1.42 -0.01 0.00 1.01 0.00 0.00 42.92 42.50 1we3 s ASP 68 CO 0.00 -1.13 0.57 -0.63 0.21 0.00 0.00 175.17 174.19 1we3 s ILE 69 N -2.94 4.97 0.05 0.77 1.01 -1.26 -1.59 121.20 122.22 1we3 s ILE 69 Ca 0.55 0.60 0.04 0.00 0.00 0.00 0.00 60.65 61.84 1we3 s ILE 69 Cb -0.10 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1we3 s ILE 69 CO 0.43 -0.18 -0.04 -0.69 0.00 0.00 0.00 174.94 174.45 1we3 s VAL 70 N 2.51 3.77 -0.23 2.92 1.01 0.92 -0.32 120.40 130.98 1we3 s VAL 70 Ca 0.22 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 1we3 s VAL 70 Cb -0.15 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.51 1we3 s VAL 70 CO 0.13 0.24 -0.07 -0.69 0.00 0.00 0.00 175.10 174.71 1we3 s VAL 71 N -1.16 3.01 0.09 2.92 1.01 -0.93 -2.53 120.40 122.81 1we3 s VAL 71 Ca 0.21 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1we3 s VAL 71 Cb -0.11 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1we3 s VAL 71 CO 0.13 0.35 -0.07 0.72 0.00 0.00 0.00 175.10 176.23 1we3 s PHE 72 N 1.40 0.85 -1.06 5.22 -0.12 -0.33 -0.05 117.98 123.90 1we3 s PHE 72 Ca 0.04 -0.88 -0.23 0.00 -0.05 0.00 0.00 56.93 55.81 1we3 s PHE 72 Cb -0.15 -0.50 -0.07 0.00 -0.63 0.00 0.00 43.02 41.68 1we3 s PHE 72 CO -0.05 -0.15 1.94 0.00 -0.05 0.00 0.00 175.22 176.90 1we3 s ALA 73 N -3.39 1.75 0.14 1.99 0.00 -1.20 -4.64 121.76 116.41 1we3 s ALA 73 Ca 0.09 -1.87 0.09 0.00 0.00 0.00 0.00 51.96 50.27 1we3 s ALA 73 Cb 0.04 -4.62 0.30 0.00 0.00 0.00 0.00 23.12 18.84 1we3 s ALA 73 CO -0.04 -5.02 0.33 0.36 0.00 0.00 0.00 175.76 171.38 1we3 n LYS 74 N 8.55 0.00 0.00 0.00 2.85 -1.26 -1.03 118.16 127.27 1we3 n LYS 74 Ca 0.43 0.25 -0.10 0.00 -1.05 0.00 0.00 58.31 57.83 1we3 n LYS 74 Cb 0.47 -0.59 0.03 0.00 -0.65 0.00 0.00 35.03 34.29 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 0.73 -2.80 5.58 -0.00 -1.94 -3.47 116.97 115.07 1we3 h TYR 75 Ca 0.16 -0.27 -0.45 0.00 0.00 0.00 0.00 58.73 58.17 1we3 h TYR 75 Cb 0.78 -0.13 0.06 0.00 0.00 0.00 0.00 36.73 37.44 1we3 h TYR 75 CO 0.00 1.03 0.06 0.20 -0.00 0.00 0.00 178.16 179.45 1we3 s GLY 76 N -4.15 1.78 0.00 0.10 0.00 -0.20 -5.00 107.32 99.86 1we3 s GLY 76 Ca -0.07 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.36 1we3 s GLY 76 CO 0.85 -0.92 0.00 0.61 0.00 0.00 0.00 173.10 173.64 1we3 n GLY 77 N -2.59 -1.99 3.69 0.20 0.00 -1.26 -4.95 105.19 98.28 1we3 n GLY 77 Ca 0.09 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 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 0.64 1.79 -4.51 2.61 -1.04 -1.18 -4.76 114.28 107.82 1we3 n THR 78 Ca 0.00 -0.18 -0.22 0.00 -2.04 0.00 0.00 64.05 61.61 1we3 n THR 78 Cb 0.00 -1.17 -0.14 0.00 -1.82 0.00 0.00 70.33 67.20 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 -4.17 1.07 0.18 -2.82 2.02 -1.26 -0.90 118.70 112.82 1we3 s GLU 79 Ca 0.73 -0.66 -0.14 0.00 0.02 0.00 0.00 54.97 54.92 1we3 s GLU 79 Cb -0.28 -1.07 0.01 0.00 0.10 0.00 0.00 34.13 32.89 1we3 s GLU 79 CO 0.52 0.28 0.42 0.42 0.02 0.00 0.00 175.26 176.91 1we3 s ILE 80 N -0.61 0.04 0.14 -1.63 1.09 -0.23 -4.98 121.20 115.02 1we3 s ILE 80 Ca 0.04 -1.04 0.10 0.00 -1.10 0.00 0.00 60.65 58.65 1we3 s ILE 80 Cb -0.07 -1.68 -0.04 0.00 -1.06 0.00 0.00 42.46 39.61 1we3 s ILE 80 CO 0.00 -0.20 -0.24 -0.70 -0.10 0.00 0.00 174.94 173.70 1we3 s GLU 81 N -3.91 1.34 -0.14 2.79 2.12 -1.26 0.11 118.70 119.75 1we3 s GLU 81 Ca 0.12 -1.35 -0.06 0.00 0.36 0.00 0.00 54.97 54.05 1we3 s GLU 81 Cb 0.01 -1.71 0.06 0.00 0.26 0.00 0.00 34.13 32.76 1we3 s GLU 81 CO -0.02 0.39 0.31 0.42 -0.54 0.00 0.00 175.26 175.82 1we3 s ILE 82 N -1.31 -0.25 -1.46 -3.70 1.01 0.20 -4.91 121.20 110.79 1we3 s ILE 82 Ca 0.14 0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.93 1we3 s ILE 82 Cb -0.09 -0.49 0.03 0.00 0.01 0.00 0.00 42.46 41.92 1we3 s ILE 82 CO 0.06 0.08 0.54 0.47 0.00 0.00 0.00 174.94 176.09 1we3 n ASP 83 N 4.78 -1.17 -2.37 3.58 9.92 -1.26 -2.97 116.55 127.05 1we3 n ASP 83 Ca -0.16 -0.98 -0.08 0.00 -0.53 0.00 0.00 54.79 53.04 1we3 n ASP 83 Cb 0.52 -3.13 0.04 0.00 -0.64 0.00 0.00 41.12 37.90 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 -1.84 -0.12 0.00 0.44 0.00 -1.26 -5.06 105.19 97.34 1we3 n GLY 84 Ca -0.22 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.38 0.00 -4.49 1.61 4.07 -1.16 -5.17 120.64 113.13 1we3 n GLU 85 Ca -0.04 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.72 1we3 n GLU 85 Cb 0.56 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.83 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 -0.14 3.06 0.37 5.31 -1.05 -1.26 0.62 118.70 125.61 1we3 s GLU 86 Ca 0.00 -0.49 0.04 0.00 -0.15 0.00 0.00 54.97 54.37 1we3 s GLU 86 Cb 0.00 -2.74 -0.03 0.00 -0.44 0.00 0.00 34.13 30.92 1we3 s GLU 86 CO 0.00 0.57 0.15 0.71 0.95 0.00 0.00 175.26 177.64 1we3 s TYR 87 N -0.54 1.75 -0.15 4.83 1.51 0.29 -4.75 117.35 120.29 1we3 s TYR 87 Ca 0.09 -1.34 0.00 0.00 -1.01 0.00 0.00 57.07 54.81 1we3 s TYR 87 Cb -0.12 -1.04 0.02 0.00 -0.11 0.00 0.00 41.96 40.71 1we3 s TYR 87 CO 0.02 -0.41 -0.14 0.08 -1.11 0.00 0.00 175.55 173.99 1we3 s VAL 88 N -3.33 1.58 -0.79 0.71 1.01 0.15 -1.07 120.40 118.66 1we3 s VAL 88 Ca 0.29 -0.64 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 1we3 s VAL 88 Cb 0.03 -1.49 0.07 0.00 0.00 0.00 0.00 36.38 35.00 1we3 s VAL 88 CO 0.17 0.46 1.14 -0.63 0.00 0.00 0.00 175.10 176.24 1we3 s ILE 89 N 1.48 4.23 0.28 2.22 1.01 -0.08 -1.83 121.20 128.51 1we3 s ILE 89 Ca 0.05 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.22 1we3 s ILE 89 Cb -0.13 -4.81 -0.02 0.00 0.01 0.00 0.00 42.46 37.51 1we3 s ILE 89 CO -0.11 -1.62 0.36 -0.76 0.00 0.00 0.00 174.94 172.81 1we3 s LEU 90 N 4.24 4.08 0.55 2.97 1.43 -1.07 -3.13 118.68 127.75 1we3 s LEU 90 Ca 0.31 -0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.39 1we3 s LEU 90 Cb -0.10 -2.70 0.06 0.00 0.03 0.00 0.00 46.19 43.49 1we3 s LEU 90 CO 0.04 -0.19 0.66 -0.44 0.23 0.00 0.00 176.35 176.64 1we3 s SER 91 N -4.01 5.01 0.20 2.29 0.01 -1.26 -0.75 113.70 115.18 1we3 s SER 91 Ca 0.37 -0.92 -0.07 0.00 1.31 0.00 0.00 55.95 56.64 1we3 s SER 91 Cb -0.09 0.23 0.14 0.00 0.21 0.00 0.00 66.02 66.51 1we3 s SER 91 CO 0.29 -1.21 1.67 -0.08 0.41 0.00 0.00 173.24 174.31 1we3 h GLU 92 N 0.40 0.98 -0.31 12.44 4.81 -1.92 -2.92 114.58 128.07 1we3 h GLU 92 Ca -0.33 -0.31 0.07 0.00 -0.13 0.00 0.00 59.36 58.66 1we3 h GLU 92 Cb 1.29 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.51 1we3 h GLU 92 CO 0.46 0.98 -0.17 0.00 -0.73 0.00 0.00 179.01 179.55 1we3 h ARG 93 N 0.90 -0.13 -0.06 1.92 3.08 -1.95 0.12 114.38 118.26 1we3 h ARG 93 Ca 0.16 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.23 1we3 h ARG 93 Cb 0.56 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1we3 h ARG 93 CO 0.03 -0.09 0.05 -0.44 -1.07 0.00 0.00 179.97 178.45 1we3 h ASP 94 N -0.13 0.00 -2.91 7.04 3.32 -1.91 -3.40 116.42 118.42 1we3 h ASP 94 Ca 0.16 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.65 1we3 h ASP 94 Cb 0.38 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 1we3 h ASP 94 CO -0.39 0.00 1.00 -0.76 -1.72 0.00 0.00 179.24 177.37 1we3 s LEU 95 N -8.58 4.04 -0.16 1.55 1.43 0.03 -3.21 118.68 113.78 1we3 s LEU 95 Ca -0.05 1.59 0.09 0.00 -1.03 0.00 0.00 54.13 54.73 1we3 s LEU 95 Cb 0.17 -3.54 -0.23 0.00 0.03 0.00 0.00 46.19 42.62 1we3 s LEU 95 CO 0.63 -1.00 0.20 0.18 0.23 0.00 0.00 176.35 176.60 1we3 n LEU 96 N 7.42 1.35 0.00 1.79 4.77 0.93 -4.97 117.00 128.30 1we3 n LEU 96 Ca 0.16 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1we3 n LEU 96 Cb 0.45 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1we3 n LEU 96 CO 0.61 0.63 0.30 0.00 -1.33 0.00 0.00 177.39 177.60 1we3 n ALA 97 N -2.86 -0.98 -2.82 -1.18 0.00 -1.13 -5.01 120.51 106.53 1we3 n ALA 97 Ca -0.32 -0.25 -0.14 0.00 0.00 0.00 0.00 53.44 52.73 1we3 n ALA 97 Cb 1.07 0.08 -0.13 0.00 0.00 0.00 0.00 19.45 20.47 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 -2.20 0.38 -0.28 0.00 1.01 -1.26 -2.20 120.40 115.84 1we3 s VAL 98 Ca 0.08 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 1we3 s VAL 98 Cb -0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 1we3 s VAL 98 CO 0.00 -0.10 0.35 -0.76 0.00 0.00 0.00 175.10 174.60 1we3 s LEU 99 N -0.67 4.09 0.00 3.92 1.02 0.56 -4.98 118.68 122.62 1we3 s LEU 99 Ca -0.03 0.18 0.18 0.00 0.02 0.00 0.00 54.13 54.48 1we3 s LEU 99 Cb -0.05 -2.38 0.14 0.00 0.02 0.00 0.00 46.19 43.92 1we3 s LEU 99 CO -0.00 -0.19 1.07 1.67 0.02 0.00 0.00 176.35 178.92