#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1we3 s ILE 8 N 0.00 5.29 -0.47 1.34 1.09 -1.26 -5.04 121.20 122.14 1we3 s ILE 8 Ca 0.00 0.32 -0.01 0.00 -1.10 0.00 0.00 60.65 59.87 1we3 s ILE 8 Cb 0.00 -3.58 0.12 0.00 -1.06 0.00 0.00 42.46 37.95 1we3 s ILE 8 CO 0.00 0.27 0.25 -0.54 -0.10 0.00 0.00 174.94 174.81 1we3 s LYS 9 N 1.51 2.05 0.83 2.79 1.02 -1.26 -4.86 119.74 121.83 1we3 s LYS 9 Ca 0.10 -2.13 -0.11 0.00 0.02 0.00 0.00 55.97 53.86 1we3 s LYS 9 Cb -0.15 -3.52 0.09 0.00 -0.52 0.00 0.00 37.83 33.73 1we3 s LYS 9 CO 0.08 -1.08 1.10 -1.25 -0.92 0.00 0.00 175.35 173.28 1we3 s PRO 10 N 0.58 1.78 0.00 -1.68 0.04 -1.26 -5.08 135.00 129.38 1we3 s PRO 10 Ca 0.12 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1we3 s PRO 10 Cb -0.22 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1we3 s PRO 10 CO -0.04 -1.97 0.00 1.28 0.04 0.00 0.00 177.00 176.31 1we3 n LEU 11 N -3.74 0.00 0.00 -3.56 4.77 -1.26 -4.33 117.00 108.88 1we3 n LEU 11 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1we3 n LEU 11 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1we3 n LEU 11 CO 0.53 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1we3 n GLY 12 N 5.00 0.47 0.75 -0.72 0.00 -1.26 0.71 105.19 110.15 1we3 n GLY 12 Ca 0.00 0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 2.90 -4.74 1.61 5.68 -1.26 -1.06 116.55 120.13 1we3 n ASP 13 Ca 0.00 -3.35 -0.41 0.00 -0.50 0.00 0.00 54.79 50.53 1we3 n ASP 13 Cb 0.00 -0.54 -0.02 0.00 -1.14 0.00 0.00 41.12 39.41 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 -3.01 4.24 0.38 0.11 0.52 0.22 -3.80 118.95 117.62 1we3 s ARG 14 Ca 0.40 2.34 0.08 0.00 -0.52 0.00 0.00 55.73 58.03 1we3 s ARG 14 Cb 0.35 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.66 1we3 s ARG 14 CO 0.03 -0.47 0.16 0.08 0.02 0.00 0.00 175.30 175.12 1we3 s VAL 15 N 0.18 2.55 -0.27 3.52 1.01 -0.10 -2.06 120.40 125.22 1we3 s VAL 15 Ca 0.61 -1.72 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 1we3 s VAL 15 Cb -0.43 -2.97 0.08 0.00 0.00 0.00 0.00 36.38 33.07 1we3 s VAL 15 CO 0.42 -0.07 0.05 -0.69 0.00 0.00 0.00 175.10 174.81 1we3 s VAL 16 N -2.54 1.03 0.17 2.92 1.01 -0.99 -2.64 120.40 119.35 1we3 s VAL 16 Ca 0.40 -1.25 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1we3 s VAL 16 Cb 0.01 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1we3 s VAL 16 CO 0.22 -0.46 0.27 -0.69 0.00 0.00 0.00 175.10 174.44 1we3 s VAL 17 N 1.57 5.16 -0.38 2.92 1.01 -0.53 0.11 120.40 130.27 1we3 s VAL 17 Ca 0.05 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1we3 s VAL 17 Cb -0.18 -3.68 0.11 0.00 0.00 0.00 0.00 36.38 32.64 1we3 s VAL 17 CO -0.17 -0.13 0.13 -0.75 0.00 0.00 0.00 175.10 174.18 1we3 s LYS 18 N -3.33 1.34 0.30 2.72 2.47 -0.77 -0.87 119.74 121.60 1we3 s LYS 18 Ca 0.34 -1.82 -0.16 0.00 -1.56 0.00 0.00 55.97 52.77 1we3 s LYS 18 Cb -0.11 -2.78 -0.12 0.00 -1.46 0.00 0.00 37.83 33.37 1we3 s LYS 18 CO 0.28 -1.02 0.08 0.54 0.16 0.00 0.00 175.35 175.39 1we3 n ARG 19 N 4.09 0.00 -4.30 4.03 1.74 -1.26 -3.31 116.66 117.65 1we3 n ARG 19 Ca 0.03 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.77 1we3 n ARG 19 Cb 0.39 -0.75 -0.13 0.00 -1.02 0.00 0.00 32.46 30.95 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 -1.24 3.65 0.00 0.55 1.01 -0.91 -4.85 121.20 119.41 1we3 s ILE 20 Ca 0.45 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1we3 s ILE 20 Cb -0.49 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.37 1we3 s ILE 20 CO 0.47 0.47 0.39 -1.84 0.00 0.00 0.00 174.94 174.43 1we3 n GLU 21 N 3.94 0.22 0.00 2.79 -0.00 -1.26 -4.53 120.64 121.80 1we3 n GLU 21 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1we3 n GLU 21 Cb 0.52 -1.39 0.00 0.00 -0.00 0.00 0.00 31.44 30.57 1we3 n GLU 21 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1we3 n GLU 22 N 1.67 0.00 -3.94 3.44 4.71 -1.26 -4.76 120.64 120.50 1we3 n GLU 22 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.84 1we3 n GLU 22 Cb 0.11 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.49 1we3 n GLU 22 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1we3 s GLU 23 N -0.40 3.35 0.14 3.49 2.02 -1.26 -5.00 118.70 121.04 1we3 s GLU 23 Ca 0.00 -0.45 -0.18 0.00 0.02 0.00 0.00 54.97 54.35 1we3 s GLU 23 Cb 0.00 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.23 1we3 s GLU 23 CO 0.00 0.62 1.73 -1.00 0.02 0.00 0.00 175.26 176.63 1we3 h PRO 24 N 3.28 0.13 0.00 0.39 0.13 -1.96 -3.44 132.00 130.53 1we3 h PRO 24 Ca -0.46 -0.01 -0.30 0.00 -0.87 0.00 0.00 66.00 64.36 1we3 h PRO 24 Cb 1.17 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.28 1we3 h PRO 24 CO 0.73 0.08 -0.05 1.63 -0.23 0.00 0.00 178.00 180.16 1we3 n LYS 25 N -5.10 0.77 -0.03 0.86 5.02 -1.26 -1.99 118.16 116.43 1we3 n LYS 25 Ca -0.01 -1.93 0.00 0.00 -2.02 0.00 0.00 58.31 54.35 1we3 n LYS 25 Cb 0.12 -0.12 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -1.74 0.00 0.79 -0.18 -2.24 -1.24 -4.85 114.28 104.83 1we3 n THR 26 Ca 0.09 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.99 1we3 n THR 26 Cb 0.37 -0.19 0.51 0.00 -2.10 0.00 0.00 70.33 68.92 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 -0.00 0.06 0.00 -0.78 2.85 -1.26 -2.67 118.16 116.36 1we3 n LYS 27 Ca 0.00 0.12 0.11 0.00 -1.05 0.00 0.00 58.31 57.49 1we3 n LYS 27 Cb 0.00 -1.58 -0.03 0.00 -0.65 0.00 0.00 35.03 32.76 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 1.06 -0.21 1.00 2.58 0.00 -1.26 -4.95 105.19 103.41 1we3 n GLY 28 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 1.43 0.84 3.56 -0.02 0.00 -1.09 -4.99 105.19 104.92 1we3 n GLY 29 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.50 3.14 -0.21 -0.61 1.01 -1.26 -4.58 121.20 116.19 1we3 s ILE 30 Ca 0.00 -0.10 -0.35 0.00 0.00 0.00 0.00 60.65 60.21 1we3 s ILE 30 Cb 0.00 -3.32 -0.12 0.00 0.01 0.00 0.00 42.46 39.03 1we3 s ILE 30 CO 0.00 -0.31 1.98 0.52 0.00 0.00 0.00 174.94 177.13 1we3 n VAL 31 N 8.41 0.41 -3.26 2.92 0.31 -1.26 -3.59 118.33 122.26 1we3 n VAL 31 Ca 0.43 -0.17 -0.38 0.00 -0.01 0.00 0.00 64.34 64.21 1we3 n VAL 31 Cb 0.46 -1.77 -0.06 0.00 -0.91 0.00 0.00 33.84 31.56 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 5.32 4.47 0.49 7.52 1.43 -0.84 -5.00 118.68 132.07 1we3 s LEU 32 Ca 0.99 1.25 -0.19 0.00 -1.03 0.00 0.00 54.13 55.15 1we3 s LEU 32 Cb -0.77 -3.06 -0.08 0.00 0.03 0.00 0.00 46.19 42.30 1we3 s LEU 32 CO 0.52 0.21 1.01 -2.16 0.23 0.00 0.00 176.35 176.16 1we3 s PRO 33 N -1.39 3.84 0.00 1.29 0.04 -1.26 -4.88 135.00 132.65 1we3 s PRO 33 Ca 0.33 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1we3 s PRO 33 Cb -0.18 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1we3 s PRO 33 CO 0.20 -0.38 0.90 -0.25 0.04 0.00 0.00 177.00 177.51 1we3 n ASP 34 N -1.14 0.00 0.04 6.66 8.00 -1.26 -0.93 116.55 127.91 1we3 n ASP 34 Ca 0.08 0.41 -0.01 0.00 0.71 0.00 0.00 54.79 55.98 1we3 n ASP 34 Cb 0.53 -0.41 -0.08 0.00 -0.02 0.00 0.00 41.12 41.14 1we3 n ASP 34 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1we3 h THR 35 N 0.00 0.62 0.19 -3.53 2.02 -2.04 -3.36 112.91 106.81 1we3 h THR 35 Ca 0.00 -2.16 -0.32 0.00 0.77 0.00 0.00 66.41 64.70 1we3 h THR 35 Cb 0.02 2.15 0.03 0.00 -1.74 0.00 0.00 68.15 68.61 1we3 h THR 35 CO 0.00 0.35 -1.36 0.00 0.37 0.00 0.00 175.52 174.88 1we3 h ALA 36 N 1.36 -0.07 -2.66 6.16 0.00 -1.40 -3.45 119.26 119.19 1we3 h ALA 36 Ca -0.16 -0.82 -0.52 0.00 0.00 0.00 0.00 54.91 53.40 1we3 h ALA 36 Cb 1.63 0.14 0.03 0.00 0.00 0.00 0.00 17.79 19.59 1we3 h ALA 36 CO 0.06 0.71 0.64 0.15 0.00 0.00 0.00 179.25 180.81 1we3 s LYS 37 N -2.78 4.40 0.63 0.00 1.02 -1.16 -5.02 119.74 116.82 1we3 s LYS 37 Ca -0.09 2.02 0.05 0.00 0.02 0.00 0.00 55.97 57.98 1we3 s LYS 37 Cb 0.05 -3.21 0.12 0.00 -0.52 0.00 0.00 37.83 34.27 1we3 s LYS 37 CO 0.94 -0.24 0.87 0.39 -0.92 0.00 0.00 175.35 176.38 1we3 n GLU 38 N 2.73 0.28 -2.61 1.68 1.02 -1.26 -4.99 120.64 117.49 1we3 n GLU 38 Ca 0.06 -2.85 -0.41 0.00 -0.02 0.00 0.00 57.16 53.95 1we3 n GLU 38 Cb 0.43 -0.43 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 1we3 n GLU 38 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1we3 s LYS 39 N -4.78 4.63 0.55 3.49 1.02 -1.26 -4.99 119.74 118.41 1we3 s LYS 39 Ca 0.62 1.59 -0.20 0.00 0.02 0.00 0.00 55.97 57.99 1we3 s LYS 39 Cb -0.04 -3.33 -0.06 0.00 -0.52 0.00 0.00 37.83 33.88 1we3 s LYS 39 CO 0.40 0.11 1.09 -0.35 -0.92 0.00 0.00 175.35 175.68 1we3 n PRO 40 N 2.71 1.21 -0.57 -1.68 -0.04 -1.26 -4.92 135.00 130.45 1we3 n PRO 40 Ca 0.03 0.45 0.08 0.00 -0.04 0.00 0.00 63.50 64.02 1we3 n PRO 40 Cb 0.48 -2.27 0.30 0.00 -0.04 0.00 0.00 33.50 31.97 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 -0.82 3.52 -4.51 0.54 6.02 -1.26 -4.76 117.38 116.11 1we3 n GLN 41 Ca 0.12 -2.91 -0.24 0.00 -0.01 0.00 0.00 57.00 53.96 1we3 n GLN 41 Cb 0.45 -1.95 -0.11 0.00 1.02 0.00 0.00 30.24 29.66 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 -2.70 1.73 0.00 -1.09 1.02 -1.26 -0.87 119.74 116.57 1we3 s LYS 42 Ca 0.45 -1.94 0.00 0.00 0.02 0.00 0.00 55.97 54.51 1we3 s LYS 42 Cb 0.35 -1.29 0.00 0.00 -0.52 0.00 0.00 37.83 36.37 1we3 s LYS 42 CO 0.12 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.92 1we3 n GLY 43 N -0.75 2.92 3.83 -3.33 0.00 -1.03 -2.13 105.19 104.70 1we3 n GLY 43 Ca -0.04 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 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 3.98 0.20 1.61 1.02 -1.21 -0.19 119.74 123.15 1we3 s LYS 44 Ca 0.00 0.49 -0.30 0.00 0.02 0.00 0.00 55.97 56.18 1we3 s LYS 44 Cb 0.00 -3.22 -0.08 0.00 -0.52 0.00 0.00 37.83 34.01 1we3 s LYS 44 CO 0.00 0.68 1.17 0.08 -0.92 0.00 0.00 175.35 176.35 1we3 s VAL 45 N -1.09 3.61 0.00 3.17 1.01 -0.62 -1.85 120.40 124.63 1we3 s VAL 45 Ca 0.25 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.63 1we3 s VAL 45 Cb -0.17 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1we3 s VAL 45 CO 0.15 0.24 0.05 -0.38 0.00 0.00 0.00 175.10 175.16 1we3 n ILE 46 N 2.30 0.00 -3.15 2.22 2.08 0.30 -2.13 119.36 120.98 1we3 n ILE 46 Ca 0.03 -0.50 0.05 0.00 0.56 0.00 0.00 62.75 62.89 1we3 n ILE 46 Cb 0.45 1.00 -0.00 0.00 -0.75 0.00 0.00 39.64 40.34 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 -0.89 -3.03 0.52 -1.39 0.00 -1.22 -4.97 121.76 110.78 1we3 s ALA 47 Ca 0.00 1.20 -0.17 0.00 0.00 0.00 0.00 51.96 52.99 1we3 s ALA 47 Cb 0.00 -2.64 -0.07 0.00 0.00 0.00 0.00 23.12 20.40 1we3 s ALA 47 CO 0.00 -1.91 0.99 0.08 0.00 0.00 0.00 175.76 174.92 1we3 s VAL 48 N 2.88 4.41 0.52 0.00 1.01 -1.26 -2.35 120.40 125.61 1we3 s VAL 48 Ca 0.17 1.18 0.07 0.00 0.00 0.00 0.00 61.98 63.39 1we3 s VAL 48 Cb -0.07 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.68 1we3 s VAL 48 CO -0.25 -0.64 0.46 -0.83 0.00 0.00 0.00 175.10 173.85 1we3 s GLY 49 N -2.96 2.22 0.59 4.51 0.00 -0.87 -4.62 107.32 106.18 1we3 s GLY 49 Ca 0.60 -1.56 0.29 0.00 0.00 0.00 0.00 44.72 44.05 1we3 s GLY 49 CO 0.31 -1.85 1.87 -0.91 0.00 0.00 0.00 173.10 172.53 1we3 h THR 50 N 0.73 0.34 0.00 0.90 1.35 -1.76 -3.43 112.91 111.04 1we3 h THR 50 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1we3 h THR 50 Cb 1.29 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1we3 h THR 50 CO 0.55 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 1we3 n GLY 51 N -1.51 2.52 3.67 5.82 0.00 -0.22 -4.69 105.19 110.79 1we3 n GLY 51 Ca 0.09 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 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 -3.82 4.28 -0.47 1.61 1.70 -1.06 -4.48 118.95 116.72 1we3 s ARG 52 Ca 0.00 1.61 -0.28 0.00 -0.47 0.00 0.00 55.73 56.60 1we3 s ARG 52 Cb 0.00 -3.67 -0.01 0.00 -0.57 0.00 0.00 34.95 30.70 1we3 s ARG 52 CO 0.00 -0.59 1.73 0.08 -1.08 0.00 0.00 175.30 175.44 1we3 s VAL 53 N 2.97 3.52 1.12 4.99 1.01 -1.26 -2.04 120.40 130.70 1we3 s VAL 53 Ca 0.53 0.46 -0.19 0.00 0.00 0.00 0.00 61.98 62.78 1we3 s VAL 53 Cb -0.22 -3.90 0.28 0.00 0.00 0.00 0.00 36.38 32.54 1we3 s VAL 53 CO 0.16 -0.71 0.84 -0.11 0.00 0.00 0.00 175.10 175.28 1we3 n LEU 54 N 10.94 0.00 0.18 3.92 7.94 0.20 -4.86 117.00 135.32 1we3 n LEU 54 Ca 0.20 -0.88 0.13 0.00 -1.11 0.00 0.00 56.01 54.36 1we3 n LEU 54 Cb 0.49 -0.84 0.62 0.00 0.53 0.00 0.00 43.42 44.22 1we3 n LEU 54 CO 0.70 -2.26 0.89 -0.33 -1.11 0.00 0.00 177.39 175.28 1we3 h GLU 55 N 0.00 0.00 -1.32 1.96 4.39 -1.94 -3.03 114.58 114.65 1we3 h GLU 55 Ca -0.34 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 58.81 1we3 h GLU 55 Cb 1.08 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 29.31 1we3 h GLU 55 CO 0.21 0.00 -0.80 0.27 -1.16 0.00 0.00 179.01 177.54 1we3 n ASN 56 N -2.43 4.38 -0.44 1.42 6.94 -1.26 -4.92 115.26 118.95 1we3 n ASN 56 Ca 0.00 -3.60 -0.05 0.00 -0.02 0.00 0.00 54.58 50.92 1we3 n ASN 56 Cb 0.16 -0.45 -0.02 0.00 -2.36 0.00 0.00 39.78 37.11 1we3 n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1we3 n GLY 57 N -0.48 0.46 3.55 4.83 0.00 -1.14 -4.90 105.19 107.51 1we3 n GLY 57 Ca 0.36 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 1we3 n GLY 57 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1we3 s GLN 58 N -2.09 3.45 -0.75 1.61 2.00 -1.26 -4.76 119.66 117.85 1we3 s GLN 58 Ca 0.00 0.03 -0.22 0.00 -2.00 0.00 0.00 55.36 53.16 1we3 s GLN 58 Cb 0.00 -4.01 0.08 0.00 0.80 0.00 0.00 33.01 29.88 1we3 s GLN 58 CO 0.00 -1.48 1.06 1.03 -0.50 0.00 0.00 175.29 175.40 1we3 s ARG 59 N 4.22 3.25 -0.16 1.67 0.52 -1.26 0.60 118.95 127.80 1we3 s ARG 59 Ca 0.36 -1.01 -0.29 0.00 -0.52 0.00 0.00 55.73 54.27 1we3 s ARG 59 Cb -0.10 -4.45 -0.03 0.00 0.52 0.00 0.00 34.95 30.89 1we3 s ARG 59 CO 0.23 -1.86 1.50 0.08 0.02 0.00 0.00 175.30 175.27 1we3 s VAL 60 N 3.96 3.86 0.52 3.52 1.01 -0.87 -4.81 120.40 127.59 1we3 s VAL 60 Ca 0.27 1.02 -0.21 0.00 0.00 0.00 0.00 61.98 63.05 1we3 s VAL 60 Cb -0.12 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 1we3 s VAL 60 CO 0.05 -0.20 1.23 -2.84 0.00 0.00 0.00 175.10 173.34 1we3 s PRO 61 N 4.11 3.38 0.14 2.72 0.02 -1.26 -2.56 135.00 141.55 1we3 s PRO 61 Ca 0.66 1.91 -0.31 0.00 0.02 0.00 0.00 61.00 63.28 1we3 s PRO 61 Cb -0.26 -2.23 -0.09 0.00 0.02 0.00 0.00 34.50 31.94 1we3 s PRO 61 CO 0.25 -0.90 1.52 -0.51 -0.33 0.00 0.00 177.00 177.03 1we3 s LEU 62 N -3.44 4.37 0.00 -5.54 1.43 -1.26 -4.85 118.68 109.39 1we3 s LEU 62 Ca 0.69 2.52 0.02 0.00 -1.03 0.00 0.00 54.13 56.33 1we3 s LEU 62 Cb -0.32 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 42.40 1we3 s LEU 62 CO 0.38 -0.78 0.37 -0.62 0.23 0.00 0.00 176.35 175.93 1we3 n GLU 63 N 4.09 0.23 -4.76 1.70 1.02 -1.26 -4.62 120.64 117.04 1we3 n GLU 63 Ca 0.13 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.95 1we3 n GLU 63 Cb 0.40 -1.10 -0.16 0.00 -0.02 0.00 0.00 31.44 30.55 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 2.24 0.52 2.62 1.01 -1.26 -5.12 120.40 118.41 1we3 s VAL 64 Ca 0.02 -0.93 -0.18 0.00 0.00 0.00 0.00 61.98 60.89 1we3 s VAL 64 Cb 0.01 -1.90 -0.07 0.00 0.00 0.00 0.00 36.38 34.42 1we3 s VAL 64 CO 0.02 0.54 1.02 -0.54 0.00 0.00 0.00 175.10 176.15 1we3 s LYS 65 N 0.69 3.73 -1.14 2.72 1.02 -1.26 -4.91 119.74 120.59 1we3 s LYS 65 Ca -0.09 1.21 -0.23 0.00 0.02 0.00 0.00 55.97 56.88 1we3 s LYS 65 Cb -0.16 -2.09 -0.10 0.00 -0.52 0.00 0.00 37.83 34.96 1we3 s LYS 65 CO 0.01 -0.48 1.96 -2.00 -0.92 0.00 0.00 175.35 173.93 1we3 s GLU 66 N -3.63 2.33 0.00 1.68 2.12 -1.26 -2.70 118.70 117.24 1we3 s GLU 66 Ca 0.64 -0.96 0.00 0.00 0.36 0.00 0.00 54.97 55.01 1we3 s GLU 66 Cb -0.14 -5.19 0.00 0.00 0.26 0.00 0.00 34.13 29.06 1we3 s GLU 66 CO 0.26 -4.10 0.00 0.41 -0.54 0.00 0.00 175.26 171.29 1we3 n GLY 67 N 5.98 -0.71 3.90 -1.50 0.00 -0.90 -4.90 105.19 107.06 1we3 n GLY 67 Ca 0.44 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 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 4.79 -0.44 1.61 1.01 -1.10 -4.58 116.67 117.97 1we3 s ASP 68 Ca 0.00 0.82 -0.18 0.00 0.71 0.00 0.00 52.55 53.90 1we3 s ASP 68 Cb 0.00 -1.41 0.03 0.00 1.01 0.00 0.00 42.92 42.54 1we3 s ASP 68 CO 0.00 -1.71 0.48 -0.63 0.21 0.00 0.00 175.17 173.52 1we3 s ILE 69 N -3.47 5.03 -0.05 0.77 1.01 -1.26 -1.59 121.20 121.64 1we3 s ILE 69 Ca 0.61 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.89 1we3 s ILE 69 Cb -0.11 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1we3 s ILE 69 CO 0.49 -0.50 0.10 -0.69 0.00 0.00 0.00 174.94 174.34 1we3 s VAL 70 N 2.26 5.00 -0.23 2.92 1.01 0.74 -0.23 120.40 131.87 1we3 s VAL 70 Ca 0.13 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 1we3 s VAL 70 Cb -0.17 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1we3 s VAL 70 CO 0.14 0.46 0.01 -0.69 0.00 0.00 0.00 175.10 175.02 1we3 s VAL 71 N -1.12 3.81 0.09 2.92 1.01 -0.69 -2.48 120.40 123.94 1we3 s VAL 71 Ca 0.20 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1we3 s VAL 71 Cb -0.12 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1we3 s VAL 71 CO 0.10 0.39 -0.03 0.72 0.00 0.00 0.00 175.10 176.29 1we3 s PHE 72 N 1.47 0.76 -1.00 5.22 -0.12 -0.05 0.05 117.98 124.31 1we3 s PHE 72 Ca 0.05 -1.04 -0.24 0.00 -0.05 0.00 0.00 56.93 55.66 1we3 s PHE 72 Cb -0.15 -0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 41.72 1we3 s PHE 72 CO 0.00 -0.31 1.89 0.00 -0.05 0.00 0.00 175.22 176.76 1we3 s ALA 73 N -3.82 1.84 0.26 1.99 0.00 -1.17 -4.65 121.76 116.22 1we3 s ALA 73 Ca 0.13 -1.78 0.13 0.00 0.00 0.00 0.00 51.96 50.43 1we3 s ALA 73 Cb 0.07 -4.59 0.43 0.00 0.00 0.00 0.00 23.12 19.03 1we3 s ALA 73 CO -0.05 -4.76 0.57 0.36 0.00 0.00 0.00 175.76 171.87 1we3 n LYS 74 N 8.70 0.01 0.03 0.00 2.85 -1.26 -1.15 118.16 127.34 1we3 n LYS 74 Ca 0.41 0.44 -0.13 0.00 -1.05 0.00 0.00 58.31 57.98 1we3 n LYS 74 Cb 0.47 -1.09 -0.02 0.00 -0.65 0.00 0.00 35.03 33.74 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 0.72 -2.90 5.58 -0.00 -1.95 -3.47 116.97 114.95 1we3 h TYR 75 Ca 0.23 -0.33 -0.45 0.00 0.00 0.00 0.00 58.73 58.18 1we3 h TYR 75 Cb 1.31 -0.10 0.05 0.00 0.00 0.00 0.00 36.73 37.98 1we3 h TYR 75 CO 0.00 1.13 0.01 0.20 -0.00 0.00 0.00 178.16 179.49 1we3 s GLY 76 N -4.28 1.69 0.00 0.10 0.00 -0.30 -5.00 107.32 99.53 1we3 s GLY 76 Ca -0.07 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.55 1we3 s GLY 76 CO 0.87 -0.84 0.00 0.61 0.00 0.00 0.00 173.10 173.74 1we3 n GLY 77 N -2.35 -1.17 3.72 0.20 0.00 -1.26 -4.94 105.19 99.39 1we3 n GLY 77 Ca 0.05 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.66 1we3 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1we3 s THR 78 N -0.20 2.01 0.08 2.61 2.01 -1.14 -4.69 115.64 116.32 1we3 s THR 78 Ca 0.00 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.08 1we3 s THR 78 Cb 0.00 -2.84 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 1we3 s THR 78 CO 0.00 -0.00 -0.21 -1.61 -0.69 0.00 0.00 174.62 172.11 1we3 s GLU 79 N -3.59 1.25 0.24 4.92 2.02 -1.26 0.55 118.70 122.83 1we3 s GLU 79 Ca 0.80 -1.07 -0.15 0.00 0.02 0.00 0.00 54.97 54.57 1we3 s GLU 79 Cb -0.35 -1.46 0.01 0.00 0.10 0.00 0.00 34.13 32.42 1we3 s GLU 79 CO 0.43 0.35 0.54 0.42 0.02 0.00 0.00 175.26 177.02 1we3 s ILE 80 N -1.00 0.01 0.09 -1.63 1.09 -0.33 -4.97 121.20 114.46 1we3 s ILE 80 Ca 0.07 -1.20 0.08 0.00 -1.10 0.00 0.00 60.65 58.50 1we3 s ILE 80 Cb -0.09 -2.03 -0.03 0.00 -1.06 0.00 0.00 42.46 39.24 1we3 s ILE 80 CO 0.03 -0.03 -0.21 -0.70 -0.10 0.00 0.00 174.94 173.93 1we3 s GLU 81 N -3.97 1.15 -0.09 2.79 2.12 -1.26 0.41 118.70 119.86 1we3 s GLU 81 Ca 0.17 -1.12 -0.04 0.00 0.36 0.00 0.00 54.97 54.35 1we3 s GLU 81 Cb -0.02 -1.39 0.04 0.00 0.26 0.00 0.00 34.13 33.03 1we3 s GLU 81 CO 0.06 0.33 0.19 0.42 -0.54 0.00 0.00 175.26 175.72 1we3 s ILE 82 N -1.10 -0.11 -1.58 -3.70 1.01 0.24 -4.89 121.20 111.07 1we3 s ILE 82 Ca 0.06 0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.82 1we3 s ILE 82 Cb -0.10 -0.31 0.08 0.00 0.01 0.00 0.00 42.46 42.14 1we3 s ILE 82 CO 0.04 0.08 0.58 0.47 0.00 0.00 0.00 174.94 176.11 1we3 n ASP 83 N 4.47 -1.77 -2.10 3.58 9.92 -1.26 -2.87 116.55 126.52 1we3 n ASP 83 Ca -0.21 -1.03 -0.03 0.00 -0.53 0.00 0.00 54.79 52.98 1we3 n ASP 83 Cb 0.52 -2.78 0.01 0.00 -0.64 0.00 0.00 41.12 38.23 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 -1.73 -0.16 0.00 0.44 0.00 -1.26 -5.07 105.19 97.41 1we3 n GLY 84 Ca -0.11 0.03 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 -1.77 0.00 -4.52 1.61 4.07 -1.14 -5.17 120.64 113.71 1we3 n GLU 85 Ca -0.01 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.74 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 -0.08 2.97 0.38 5.31 -1.05 -1.26 0.79 118.70 125.76 1we3 s GLU 86 Ca 0.00 -0.51 0.05 0.00 -0.15 0.00 0.00 54.97 54.36 1we3 s GLU 86 Cb 0.00 -2.70 -0.03 0.00 -0.44 0.00 0.00 34.13 30.97 1we3 s GLU 86 CO 0.00 0.60 0.17 0.71 0.95 0.00 0.00 175.26 177.69 1we3 s TYR 87 N -0.63 1.76 -0.09 4.83 1.51 0.17 -4.72 117.35 120.17 1we3 s TYR 87 Ca 0.10 -1.39 0.03 0.00 -1.01 0.00 0.00 57.07 54.80 1we3 s TYR 87 Cb -0.12 -1.02 0.01 0.00 -0.11 0.00 0.00 41.96 40.72 1we3 s TYR 87 CO 0.02 -0.46 -0.19 0.08 -1.11 0.00 0.00 175.55 173.89 1we3 s VAL 88 N -3.31 1.68 -0.82 0.71 1.01 -0.05 -1.18 120.40 118.43 1we3 s VAL 88 Ca 0.29 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 1we3 s VAL 88 Cb 0.03 -1.48 0.16 0.00 0.00 0.00 0.00 36.38 35.09 1we3 s VAL 88 CO 0.18 0.48 0.90 -0.63 0.00 0.00 0.00 175.10 176.02 1we3 s ILE 89 N 0.51 5.12 0.34 2.22 1.01 0.19 -1.45 121.20 129.13 1we3 s ILE 89 Ca -0.16 -1.84 0.05 0.00 0.00 0.00 0.00 60.65 58.69 1we3 s ILE 89 Cb -0.17 -4.60 -0.01 0.00 0.01 0.00 0.00 42.46 37.69 1we3 s ILE 89 CO 0.06 -1.24 0.48 -0.76 0.00 0.00 0.00 174.94 173.49 1we3 s LEU 90 N 1.63 3.98 0.00 2.97 1.43 -1.08 -2.90 118.68 124.71 1we3 s LEU 90 Ca 0.23 -0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.32 1we3 s LEU 90 Cb -0.11 -2.84 0.06 0.00 0.03 0.00 0.00 46.19 43.34 1we3 s LEU 90 CO -0.06 -0.41 0.52 -1.20 0.23 0.00 0.00 176.35 175.43 1we3 n SER 91 N -1.67 2.29 -0.13 2.29 7.64 -1.26 -0.92 113.62 121.85 1we3 n SER 91 Ca -0.01 -2.56 -0.09 0.00 1.01 0.00 0.00 58.87 57.21 1we3 n SER 91 Cb 0.58 -0.19 -0.01 0.00 -1.01 0.00 0.00 64.21 63.58 1we3 n SER 91 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1we3 h GLU 92 N 0.00 0.61 -0.53 1.43 5.08 -1.94 -3.07 114.58 116.16 1we3 h GLU 92 Ca -0.28 -0.14 0.11 0.00 -1.00 0.00 0.00 59.36 58.05 1we3 h GLU 92 Cb 1.13 -0.09 -0.10 0.00 0.50 0.00 0.00 28.75 30.20 1we3 h GLU 92 CO 0.43 0.62 -0.15 0.00 -1.00 0.00 0.00 179.01 178.91 1we3 h ARG 93 N 0.48 -0.02 0.00 2.33 3.08 -1.95 0.11 114.38 118.40 1we3 h ARG 93 Ca 0.12 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1we3 h ARG 93 Cb 0.27 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1we3 h ARG 93 CO -0.00 -0.02 -0.06 -0.44 -1.07 0.00 0.00 179.97 178.38 1we3 h ASP 94 N -0.03 0.00 -3.21 7.04 3.32 -1.94 -3.40 116.42 118.20 1we3 h ASP 94 Ca 0.25 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.74 1we3 h ASP 94 Cb 0.41 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.91 1we3 h ASP 94 CO -0.56 0.06 0.93 -0.76 -1.72 0.00 0.00 179.24 177.19 1we3 s LEU 95 N -7.00 3.90 -0.17 1.55 1.43 0.37 -3.01 118.68 115.75 1we3 s LEU 95 Ca -0.03 1.14 0.09 0.00 -1.03 0.00 0.00 54.13 54.31 1we3 s LEU 95 Cb 0.13 -3.54 -0.23 0.00 0.03 0.00 0.00 46.19 42.58 1we3 s LEU 95 CO 0.54 -1.01 0.15 0.18 0.23 0.00 0.00 176.35 176.44 1we3 n LEU 96 N 7.36 1.32 0.00 1.79 4.77 0.11 -4.97 117.00 127.37 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 0.47 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1we3 n LEU 96 CO 0.62 0.64 0.44 0.00 -1.33 0.00 0.00 177.39 177.76 1we3 n ALA 97 N -2.88 -1.46 -3.01 -1.18 0.00 -1.03 -4.99 120.51 105.96 1we3 n ALA 97 Ca -0.33 -0.53 -0.13 0.00 0.00 0.00 0.00 53.44 52.44 1we3 n ALA 97 Cb 1.08 0.28 -0.14 0.00 0.00 0.00 0.00 19.45 20.67 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 -2.28 0.08 -0.22 0.00 1.01 -1.26 -1.70 120.40 116.03 1we3 s VAL 98 Ca 0.12 -0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.93 1we3 s VAL 98 Cb -0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.23 1we3 s VAL 98 CO 0.03 0.04 0.42 -0.76 0.00 0.00 0.00 175.10 174.83 1we3 s LEU 99 N 0.17 4.12 0.00 3.92 1.02 0.68 -4.98 118.68 123.62 1we3 s LEU 99 Ca -0.01 0.50 0.13 0.00 0.02 0.00 0.00 54.13 54.77 1we3 s LEU 99 Cb -0.03 -2.54 0.11 0.00 0.02 0.00 0.00 46.19 43.75 1we3 s LEU 99 CO -0.00 -0.13 0.93 1.67 0.02 0.00 0.00 176.35 178.83