#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v85 n SER 2 N 0.00 2.03 -3.64 1.61 2.88 -1.26 -4.99 113.62 110.26 1v85 n SER 2 Ca 0.00 1.18 -0.08 0.00 -1.33 0.00 0.00 58.87 58.63 1v85 n SER 2 Cb 0.00 -1.39 -0.02 0.00 -0.75 0.00 0.00 64.21 62.05 1v85 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v85 s SER 3 N -0.46 -0.10 0.00 -3.46 0.15 -1.26 -5.11 113.70 103.47 1v85 s SER 3 Ca 0.58 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1v85 s SER 3 Cb -0.62 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1v85 s SER 3 CO 0.61 -1.38 0.30 0.61 1.20 0.00 0.00 173.24 174.57 1v85 n GLY 4 N -0.47 -0.91 3.77 9.45 0.00 -1.26 -4.84 105.19 110.94 1v85 n GLY 4 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1v85 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v85 s SER 5 N -2.37 6.45 -0.17 1.61 0.15 -1.26 -5.01 113.70 113.10 1v85 s SER 5 Ca 0.00 2.48 -0.11 0.00 0.70 0.00 0.00 55.95 59.01 1v85 s SER 5 Cb 0.00 -2.63 -0.05 0.00 -1.71 0.00 0.00 66.02 61.64 1v85 s SER 5 CO 0.00 -0.74 0.21 -0.55 1.20 0.00 0.00 173.24 173.36 1v85 s SER 6 N -0.95 6.35 -0.82 5.45 0.15 -1.26 -5.01 113.70 117.61 1v85 s SER 6 Ca 0.57 0.40 -0.25 0.00 0.70 0.00 0.00 55.95 57.37 1v85 s SER 6 Cb -0.34 -2.13 -0.08 0.00 -1.71 0.00 0.00 66.02 61.76 1v85 s SER 6 CO 0.43 0.18 2.14 -0.83 1.20 0.00 0.00 173.24 176.36 1v85 s GLY 7 N 0.18 -0.23 0.73 9.45 0.00 -1.26 -4.94 107.32 111.26 1v85 s GLY 7 Ca 0.13 -1.12 -0.05 0.00 0.00 0.00 0.00 44.72 43.69 1v85 s GLY 7 CO 0.02 3.80 1.02 -0.54 0.00 0.00 0.00 173.10 177.40 1v85 s GLU 8 N 7.79 1.76 -0.36 2.90 0.41 -1.26 -5.09 118.70 124.85 1v85 s GLU 8 Ca 0.80 -0.72 0.00 0.00 -0.41 0.00 0.00 54.97 54.63 1v85 s GLU 8 Cb -0.10 -2.23 0.12 0.00 -1.78 0.00 0.00 34.13 30.15 1v85 s GLU 8 CO 0.05 -1.45 0.18 -3.38 -0.49 0.00 0.00 175.26 170.17 1v85 s HIS 9 N -3.24 1.30 0.00 1.61 -3.43 -1.26 -4.86 115.29 105.41 1v85 s HIS 9 Ca 0.65 -1.81 0.00 0.00 -0.80 0.00 0.00 55.06 53.09 1v85 s HIS 9 Cb -0.07 -1.41 0.00 0.00 -1.43 0.00 0.00 32.58 29.67 1v85 s HIS 9 CO 0.45 -0.83 0.00 0.41 -2.00 0.00 0.00 174.74 172.77 1v85 n GLY 10 N 4.22 1.09 0.00 -1.38 0.00 -1.26 -4.95 105.19 102.91 1v85 n GLY 10 Ca 0.05 -0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 1v85 n GLY 10 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1v85 n LEU 11 N 0.00 0.00 0.30 0.99 -0.00 -1.26 -3.15 117.00 113.87 1v85 n LEU 11 Ca 0.00 0.39 -0.18 0.00 -0.00 0.00 0.00 56.01 56.22 1v85 n LEU 11 Cb 0.00 -0.39 -0.09 0.00 -0.00 0.00 0.00 43.42 42.94 1v85 n LEU 11 CO 0.00 -0.31 0.52 -0.07 -0.00 0.00 0.00 177.39 177.53 1v85 h LEU 12 N 0.00 -1.32 -1.18 1.47 3.38 -1.91 -1.45 115.31 114.31 1v85 h LEU 12 Ca 0.00 0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.20 1v85 h LEU 12 Cb 0.08 0.43 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 1v85 h LEU 12 CO 0.00 -0.65 0.59 -0.37 0.09 0.00 0.00 178.44 178.10 1v85 h VAL 13 N -0.99 0.87 0.49 1.22 -1.51 -1.82 -2.47 116.25 112.04 1v85 h VAL 13 Ca -0.07 -0.28 -0.01 0.00 -1.23 0.00 0.00 66.70 65.11 1v85 h VAL 13 Cb 0.85 -0.01 -0.02 0.00 -2.13 0.00 0.00 31.29 29.99 1v85 h VAL 13 CO -0.04 0.15 -0.39 -0.74 -1.23 0.00 0.00 177.57 175.31 1v85 h HIS 14 N 0.81 -1.06 -3.25 5.19 6.17 -1.59 -3.41 115.15 118.01 1v85 h HIS 14 Ca 0.46 -0.00 -0.54 0.00 0.71 0.00 0.00 60.37 61.00 1v85 h HIS 14 Cb 0.62 0.40 -0.01 0.00 2.52 0.00 0.00 27.41 30.93 1v85 h HIS 14 CO -0.00 -0.57 0.52 0.21 0.71 0.00 0.00 177.93 178.80 1v85 s LYS 15 N -5.98 4.46 0.28 5.26 2.20 -0.59 -4.97 119.74 120.39 1v85 s LYS 15 Ca -0.17 1.59 -0.28 0.00 -0.36 0.00 0.00 55.97 56.75 1v85 s LYS 15 Cb 0.05 -3.45 -0.14 0.00 -1.51 0.00 0.00 37.83 32.78 1v85 s LYS 15 CO 0.62 -0.23 0.92 0.00 -0.36 0.00 0.00 175.35 176.30 1v85 n ALA 16 N 4.27 -0.69 0.13 3.13 0.00 -1.26 -4.85 120.51 121.24 1v85 n ALA 16 Ca 0.08 0.39 0.01 0.00 0.00 0.00 0.00 53.44 53.93 1v85 n ALA 16 Cb 0.48 -1.95 0.33 0.00 0.00 0.00 0.00 19.45 18.32 1v85 n ALA 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1v85 h VAL 17 N 1.80 1.24 0.00 0.00 2.07 -1.85 -1.90 116.25 117.60 1v85 h VAL 17 Ca -0.38 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1v85 h VAL 17 Cb 1.36 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1v85 h VAL 17 CO 0.60 0.33 0.00 -0.90 0.02 0.00 0.00 177.57 177.62 1v85 n ASP 18 N -4.16 0.00 -0.25 0.57 5.75 -1.26 -1.62 116.55 115.58 1v85 n ASP 18 Ca -0.01 -0.50 0.04 0.00 -0.01 0.00 0.00 54.79 54.30 1v85 n ASP 18 Cb 0.36 -0.01 0.02 0.00 -1.03 0.00 0.00 41.12 40.46 1v85 n ASP 18 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1v85 n LYS 19 N -1.01 1.22 -1.02 0.11 4.01 -0.72 -3.92 118.16 116.83 1v85 n LYS 19 Ca 0.12 -0.75 -0.29 0.00 -0.51 0.00 0.00 58.31 56.89 1v85 n LYS 19 Cb 0.06 -1.08 0.19 0.00 -0.51 0.00 0.00 35.03 33.69 1v85 n LYS 19 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1v85 s TRP 20 N -0.92 1.94 0.34 2.13 0.52 -0.64 -4.97 118.94 117.33 1v85 s TRP 20 Ca 0.08 1.07 0.08 0.00 0.02 0.00 0.00 56.10 57.35 1v85 s TRP 20 Cb 0.07 -3.22 -0.07 0.00 -1.15 0.00 0.00 33.47 29.10 1v85 s TRP 20 CO 0.15 -3.08 -0.05 0.95 0.02 0.00 0.00 176.95 174.93 1v85 s THR 21 N -2.84 1.95 0.62 2.01 -4.23 -1.26 -3.59 115.64 108.30 1v85 s THR 21 Ca 0.66 -2.13 0.17 0.00 -1.18 0.00 0.00 61.69 59.21 1v85 s THR 21 Cb -0.20 -2.67 0.17 0.00 1.34 0.00 0.00 72.50 71.14 1v85 s THR 21 CO 0.59 -0.18 1.52 0.74 -0.54 0.00 0.00 174.62 176.76 1v85 h THR 22 N 2.05 0.00 0.00 3.99 2.02 -1.89 0.23 112.91 119.31 1v85 h THR 22 Ca -0.42 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.68 1v85 h THR 22 Cb 1.24 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1v85 h THR 22 CO 0.71 0.00 -0.67 -0.08 0.37 0.00 0.00 175.52 175.85 1v85 h GLU 23 N 0.00 0.00 -0.73 6.66 4.81 -1.94 -3.33 114.58 120.06 1v85 h GLU 23 Ca 0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1v85 h GLU 23 Cb 1.16 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 1v85 h GLU 23 CO 0.00 0.48 0.48 0.93 -0.73 0.00 0.00 179.01 180.17 1v85 h GLU 24 N -1.00 0.96 -0.41 1.92 5.08 -1.47 -1.70 114.58 117.96 1v85 h GLU 24 Ca -0.13 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1v85 h GLU 24 Cb 0.79 -0.22 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 1v85 h GLU 24 CO -0.08 0.64 -0.19 0.28 -1.00 0.00 0.00 179.01 178.66 1v85 h VAL 25 N 0.99 0.43 0.00 3.13 2.07 -0.83 0.97 116.25 123.01 1v85 h VAL 25 Ca 0.27 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.71 1v85 h VAL 25 Cb -0.11 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1v85 h VAL 25 CO -0.06 0.00 -0.39 0.58 0.02 0.00 0.00 177.57 177.72 1v85 h VAL 26 N -0.11 1.22 0.26 2.57 2.07 -1.60 -2.77 116.25 117.89 1v85 h VAL 26 Ca 0.20 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1v85 h VAL 26 Cb 0.42 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1v85 h VAL 26 CO -0.48 0.38 -0.12 -0.07 0.02 0.00 0.00 177.57 177.29 1v85 h LEU 27 N 0.00 -0.29 -1.16 2.57 3.38 0.01 0.16 115.31 119.97 1v85 h LEU 27 Ca -0.00 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.85 1v85 h LEU 27 Cb 0.71 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 1v85 h LEU 27 CO 0.05 0.02 0.58 -0.25 0.09 0.00 0.00 178.44 178.93 1v85 h TRP 28 N -0.63 1.03 0.00 1.13 7.01 -0.89 -0.76 115.95 122.83 1v85 h TRP 28 Ca -0.04 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.90 1v85 h TRP 28 Cb 0.45 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 1v85 h TRP 28 CO 0.01 0.55 -0.44 1.25 -2.79 0.00 0.00 178.44 177.02 1v85 h LEU 29 N 1.02 0.00 -0.23 0.65 5.85 -1.41 -2.97 115.31 118.22 1v85 h LEU 29 Ca 0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1v85 h LEU 29 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1v85 h LEU 29 CO -0.13 0.44 0.00 -0.62 -0.34 0.00 0.00 178.44 177.79 1v85 n GLU 30 N -3.39 0.98 -0.01 1.25 1.02 0.55 -2.95 120.64 118.09 1v85 n GLU 30 Ca 0.01 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1v85 n GLU 30 Cb 0.61 -1.11 -0.03 0.00 -0.02 0.00 0.00 31.44 30.89 1v85 n GLU 30 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1v85 n GLN 31 N -0.38 1.33 0.24 3.49 6.02 -1.12 -4.59 117.38 122.36 1v85 n GLN 31 Ca 0.00 -0.02 0.10 0.00 -0.01 0.00 0.00 57.00 57.07 1v85 n GLN 31 Cb 0.06 -1.09 0.61 0.00 1.02 0.00 0.00 30.24 30.84 1v85 n GLN 31 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1v85 h LEU 32 N 0.00 0.00 0.00 1.08 3.38 -1.61 -3.47 115.31 114.69 1v85 h LEU 32 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1v85 h LEU 32 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1v85 h LEU 32 CO 0.00 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.32 1v85 n GLY 33 N -0.50 1.03 0.26 0.83 0.00 -1.26 -5.00 105.19 100.55 1v85 n GLY 33 Ca -0.01 -0.79 0.15 0.00 0.00 0.00 0.00 46.02 45.37 1v85 n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v85 h PRO 34 N 0.00 0.00 0.00 1.61 0.13 -1.90 -2.61 132.00 129.23 1v85 h PRO 34 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1v85 h PRO 34 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1v85 h PRO 34 CO 0.00 0.07 0.00 -2.67 -0.23 0.00 0.00 178.00 175.17 1v85 n TRP 35 N -3.22 0.80 -0.31 1.56 4.27 -1.26 -3.02 117.44 116.26 1v85 n TRP 35 Ca 0.00 0.30 0.05 0.00 -3.89 0.00 0.00 57.50 53.96 1v85 n TRP 35 Cb 0.33 -0.99 0.24 0.00 -1.36 0.00 0.00 31.31 29.53 1v85 n TRP 35 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1v85 h ALA 36 N 2.31 1.52 0.00 -1.67 0.00 -1.72 0.91 119.26 120.61 1v85 h ALA 36 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1v85 h ALA 36 Cb 0.41 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1v85 h ALA 36 CO 0.00 0.32 0.00 0.45 0.00 0.00 0.00 179.25 180.02 1v85 n SER 37 N -4.51 0.58 0.05 0.00 2.88 -1.17 -0.07 113.62 111.39 1v85 n SER 37 Ca 0.15 0.76 0.13 0.00 -1.33 0.00 0.00 58.87 58.58 1v85 n SER 37 Cb 0.23 -0.84 0.40 0.00 -0.75 0.00 0.00 64.21 63.25 1v85 n SER 37 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1v85 n LEU 38 N -2.27 0.49 -0.00 2.46 4.77 0.31 -3.99 117.00 118.76 1v85 n LEU 38 Ca -0.01 0.40 -0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1v85 n LEU 38 Cb 0.05 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 1v85 n LEU 38 CO 0.11 -0.05 -0.53 -1.22 -1.33 0.00 0.00 177.39 174.37 1v85 n TYR 39 N -1.88 0.00 -0.31 -1.77 4.02 0.49 -4.72 117.16 113.00 1v85 n TYR 39 Ca 0.06 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.11 1v85 n TYR 39 Cb 0.39 -0.04 0.32 0.00 -0.02 0.00 0.00 39.34 39.99 1v85 n TYR 39 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1v85 n ARG 40 N -1.99 -0.07 -0.25 -0.72 1.85 0.90 0.89 116.66 117.28 1v85 n ARG 40 Ca -0.01 1.36 0.04 0.00 -1.00 0.00 0.00 57.85 58.24 1v85 n ARG 40 Cb 0.49 -2.21 0.13 0.00 -1.05 0.00 0.00 32.46 29.82 1v85 n ARG 40 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 1v85 h ASP 41 N 0.00 -0.41 -0.82 2.89 1.82 -1.85 0.22 116.42 118.27 1v85 h ASP 41 Ca 0.60 0.20 -0.02 0.00 -0.39 0.00 0.00 57.03 57.42 1v85 h ASP 41 Cb 1.32 0.36 -0.04 0.00 0.68 0.00 0.00 39.33 41.65 1v85 h ASP 41 CO -0.84 -0.19 0.45 0.03 -1.61 0.00 0.00 179.24 177.08 1v85 h ARG 42 N 0.08 1.15 -0.06 0.28 3.08 0.18 0.57 114.38 119.66 1v85 h ARG 42 Ca 0.39 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 60.30 1v85 h ARG 42 Cb 0.66 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1v85 h ARG 42 CO -0.67 0.85 0.01 0.74 -1.07 0.00 0.00 179.97 179.84 1v85 h PHE 43 N 1.15 0.03 0.43 3.04 -1.00 -0.40 0.20 116.94 120.38 1v85 h PHE 43 Ca 0.29 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.05 1v85 h PHE 43 Cb 0.04 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.60 1v85 h PHE 43 CO 0.01 0.01 -0.20 -0.07 -1.61 0.00 0.00 178.31 176.44 1v85 h LEU 44 N 0.04 -0.48 -0.54 1.54 -0.00 -0.92 0.51 115.31 115.46 1v85 h LEU 44 Ca 0.02 -0.11 0.10 0.00 -0.00 0.00 0.00 57.88 57.90 1v85 h LEU 44 Cb 0.02 0.13 -0.08 0.00 -0.00 0.00 0.00 40.66 40.72 1v85 h LEU 44 CO -0.03 -0.13 0.06 -1.28 -0.00 0.00 0.00 178.44 177.06 1v85 h SER 45 N -0.88 -0.10 -0.05 -0.43 0.87 -0.88 0.33 113.55 112.40 1v85 h SER 45 Ca -0.06 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1v85 h SER 45 Cb 0.56 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1v85 h SER 45 CO 0.10 -0.03 0.00 -0.62 -0.53 0.00 0.00 176.83 175.75 1v85 n GLU 46 N -5.18 1.35 -4.22 2.24 -0.58 0.69 -4.91 120.64 110.03 1v85 n GLU 46 Ca 0.07 -0.52 -0.32 0.00 -0.42 0.00 0.00 57.16 55.97 1v85 n GLU 46 Cb 0.29 -1.40 -0.06 0.00 -0.57 0.00 0.00 31.44 29.70 1v85 n GLU 46 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1v85 n ARG 47 N -0.30 -2.08 -2.04 3.49 3.00 0.12 -4.76 116.66 114.09 1v85 n ARG 47 Ca 0.17 0.25 -0.27 0.00 -0.01 0.00 0.00 57.85 58.00 1v85 n ARG 47 Cb 0.21 -4.36 -0.05 0.00 0.00 0.00 0.00 32.46 28.26 1v85 n ARG 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1v85 s VAL 48 N -3.86 3.46 0.70 1.55 1.01 0.13 -4.87 120.40 118.52 1v85 s VAL 48 Ca 0.28 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 1v85 s VAL 48 Cb -0.16 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.10 1v85 s VAL 48 CO 0.96 -0.93 1.07 0.54 0.00 0.00 0.00 175.10 176.74 1v85 s ASN 49 N 7.68 5.24 0.20 3.32 2.20 -1.26 -4.67 114.94 127.65 1v85 s ASN 49 Ca 0.70 1.70 -0.22 0.00 -0.94 0.00 0.00 52.86 54.10 1v85 s ASN 49 Cb -0.05 -2.51 0.13 0.00 -2.00 0.00 0.00 41.25 36.82 1v85 s ASN 49 CO 0.03 -1.54 1.55 1.23 -2.94 0.00 0.00 177.10 175.44 1v85 h GLY 50 N -0.63 -0.25 -0.51 0.45 0.00 -1.73 0.40 103.07 100.80 1v85 h GLY 50 Ca -0.44 0.61 0.20 0.00 0.00 0.00 0.00 47.33 47.70 1v85 h GLY 50 CO 0.56 -0.12 0.05 -0.09 0.00 0.00 0.00 176.54 176.93 1v85 h ARG 51 N -0.02 0.10 -0.03 4.80 1.12 -1.68 0.63 114.38 119.30 1v85 h ARG 51 Ca 0.27 -0.01 -0.14 0.00 -1.11 0.00 0.00 59.98 59.00 1v85 h ARG 51 Cb 0.54 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.46 1v85 h ARG 51 CO -0.94 0.07 -0.61 1.25 -3.11 0.00 0.00 179.97 176.62 1v85 h LEU 52 N 0.10 0.12 -0.53 3.80 5.85 -0.71 -2.79 115.31 121.15 1v85 h LEU 52 Ca 0.48 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.12 1v85 h LEU 52 Cb 0.90 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1v85 h LEU 52 CO -0.72 0.70 0.28 0.25 -0.34 0.00 0.00 178.44 178.61 1v85 h LEU 53 N 0.08 0.67 -0.17 2.25 6.46 0.31 -1.77 115.31 123.13 1v85 h LEU 53 Ca -0.01 -0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 57.61 1v85 h LEU 53 Cb 1.10 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.85 1v85 h LEU 53 CO 0.09 0.58 -0.06 -0.07 -0.62 0.00 0.00 178.44 178.36 1v85 h LEU 54 N 0.71 0.35 -1.42 2.25 3.38 -1.08 -3.02 115.31 116.48 1v85 h LEU 54 Ca 0.19 -0.38 0.12 0.00 0.09 0.00 0.00 57.88 57.89 1v85 h LEU 54 Cb 0.07 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1v85 h LEU 54 CO -0.03 0.66 0.51 0.71 0.09 0.00 0.00 178.44 180.38 1v85 h THR 55 N 0.04 0.89 -3.44 0.22 1.35 -1.36 -3.43 112.91 107.19 1v85 h THR 55 Ca 0.04 -0.21 -0.56 0.00 -0.55 0.00 0.00 66.41 65.13 1v85 h THR 55 Cb 0.51 0.22 0.18 0.00 -1.73 0.00 0.00 68.15 67.33 1v85 h THR 55 CO 0.02 0.11 -0.17 0.18 -0.25 0.00 0.00 175.52 175.42 1v85 n LEU 56 N -4.51 2.07 -4.44 3.87 4.77 -0.68 -5.02 117.00 113.06 1v85 n LEU 56 Ca 0.14 0.65 -0.21 0.00 -0.03 0.00 0.00 56.01 56.55 1v85 n LEU 56 Cb 0.40 -1.30 -0.10 0.00 -2.33 0.00 0.00 43.42 40.08 1v85 n LEU 56 CO 0.32 -2.61 -0.32 0.42 -1.33 0.00 0.00 177.39 173.87 1v85 s THR 57 N -1.83 1.46 0.66 -5.08 -4.23 -1.26 -5.01 115.64 100.35 1v85 s THR 57 Ca 0.70 -2.07 0.34 0.00 -1.18 0.00 0.00 61.69 59.48 1v85 s THR 57 Cb -0.36 -2.59 0.34 0.00 1.34 0.00 0.00 72.50 71.23 1v85 s THR 57 CO 0.54 -0.18 2.04 -0.08 -0.54 0.00 0.00 174.62 176.40 1v85 h GLU 58 N 2.21 0.00 0.00 3.99 4.81 -1.98 -2.36 114.58 121.25 1v85 h GLU 58 Ca -0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1v85 h GLU 58 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1v85 h GLU 58 CO 0.69 0.00 -0.05 1.49 -0.73 0.00 0.00 179.01 180.41 1v85 h GLU 59 N 0.00 0.00 -0.92 1.92 4.81 -2.00 -3.29 114.58 115.11 1v85 h GLU 59 Ca 0.01 0.00 0.25 0.00 -0.13 0.00 0.00 59.36 59.49 1v85 h GLU 59 Cb 0.50 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.72 1v85 h GLU 59 CO -0.00 0.00 0.14 0.93 -0.73 0.00 0.00 179.01 179.35 1v85 h GLU 60 N -0.61 0.10 -0.78 1.92 4.39 -1.85 1.06 114.58 118.81 1v85 h GLU 60 Ca 0.00 -0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.82 1v85 h GLU 60 Cb 0.05 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 1v85 h GLU 60 CO 0.00 0.06 0.51 0.74 -1.16 0.00 0.00 179.01 179.17 1v85 h PHE 61 N 0.10 0.64 0.00 4.33 0.04 -1.59 0.64 116.94 121.09 1v85 h PHE 61 Ca 0.57 0.02 -0.13 0.00 2.80 0.00 0.00 57.97 61.23 1v85 h PHE 61 Cb 1.19 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 39.12 1v85 h PHE 61 CO -0.36 0.27 -0.63 1.03 -0.60 0.00 0.00 178.31 178.01 1v85 h SER 62 N 0.57 0.00 -4.21 2.17 0.87 0.11 -1.11 113.55 111.95 1v85 h SER 62 Ca 0.38 0.00 -0.47 0.00 -1.23 0.00 0.00 61.79 60.47 1v85 h SER 62 Cb 0.67 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.72 1v85 h SER 62 CO -0.14 0.63 0.32 -0.13 -0.53 0.00 0.00 176.83 176.99 1v85 s ARG 63 N -3.03 2.28 0.71 2.24 0.52 0.22 -3.35 118.95 118.54 1v85 s ARG 63 Ca 0.02 0.03 -0.11 0.00 -0.52 0.00 0.00 55.73 55.15 1v85 s ARG 63 Cb 0.09 -2.07 0.02 0.00 0.52 0.00 0.00 34.95 33.51 1v85 s ARG 63 CO 0.76 -1.30 1.07 0.00 0.02 0.00 0.00 175.30 175.85 1v85 s ALA 64 N -3.37 2.55 0.08 2.13 0.00 -1.26 0.16 121.76 122.04 1v85 s ALA 64 Ca 0.60 0.16 -0.17 0.00 0.00 0.00 0.00 51.96 52.55 1v85 s ALA 64 Cb -0.11 -3.21 -0.11 0.00 0.00 0.00 0.00 23.12 19.69 1v85 s ALA 64 CO 0.48 -1.37 1.39 -1.00 0.00 0.00 0.00 175.76 175.25 1v85 h PRO 65 N -0.79 0.56 -0.61 0.00 0.13 -1.96 -3.42 132.00 125.90 1v85 h PRO 65 Ca -0.44 -0.29 0.25 0.00 -0.87 0.00 0.00 66.00 64.66 1v85 h PRO 65 Cb 1.22 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 1v85 h PRO 65 CO 0.55 0.88 0.33 0.66 -0.23 0.00 0.00 178.00 180.19 1v85 n TYR 66 N -4.39 0.70 -2.54 1.56 4.01 -1.21 -4.60 117.16 110.69 1v85 n TYR 66 Ca -0.05 0.70 -0.13 0.00 -0.16 0.00 0.00 57.90 58.27 1v85 n TYR 66 Cb 0.42 -1.14 -0.02 0.00 -0.31 0.00 0.00 39.34 38.29 1v85 n TYR 66 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1v85 n THR 67 N -4.35 0.00 -1.53 -0.72 5.66 0.41 -4.59 114.28 109.16 1v85 n THR 67 Ca 0.23 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.98 1v85 n THR 67 Cb 0.78 -0.15 -0.12 0.00 -1.55 0.00 0.00 70.33 69.29 1v85 n THR 67 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1v85 n ILE 68 N -2.12 -0.02 0.19 1.09 5.41 -0.42 -4.71 119.36 118.79 1v85 n ILE 68 Ca 0.04 -0.48 0.08 0.00 1.00 0.00 0.00 62.75 63.39 1v85 n ILE 68 Cb 0.30 -1.35 0.17 0.00 -0.71 0.00 0.00 39.64 38.05 1v85 n ILE 68 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1v85 h GLU 69 N 13.48 0.00 -5.21 0.38 5.08 -1.82 -3.40 114.58 123.10 1v85 h GLU 69 Ca -0.04 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.64 1v85 h GLU 69 Cb 1.14 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.23 1v85 h GLU 69 CO 1.27 0.22 1.09 1.21 -1.00 0.00 0.00 179.01 181.80 1v85 s ASN 70 N -6.28 6.68 0.24 1.42 2.47 -1.26 -4.89 114.94 113.32 1v85 s ASN 70 Ca 0.05 -2.10 -0.16 0.00 0.42 0.00 0.00 52.86 51.06 1v85 s ASN 70 Cb 0.07 -2.44 0.27 0.00 -1.45 0.00 0.00 41.25 37.70 1v85 s ASN 70 CO 0.69 -1.10 1.55 0.28 -3.72 0.00 0.00 177.10 174.81 1v85 h SER 71 N 8.69 -1.36 -0.72 -4.21 0.02 -2.00 0.42 113.55 114.38 1v85 h SER 71 Ca 0.20 0.31 0.26 0.00 -0.84 0.00 0.00 61.79 61.72 1v85 h SER 71 Cb 0.99 0.74 -0.13 0.00 0.14 0.00 0.00 62.40 64.14 1v85 h SER 71 CO 1.20 -0.29 0.24 -1.20 -1.14 0.00 0.00 176.83 175.64 1v85 n SER 72 N -5.49 0.12 -0.06 3.07 7.64 -1.26 0.22 113.62 117.87 1v85 n SER 72 Ca 0.11 1.20 -0.10 0.00 1.01 0.00 0.00 58.87 61.10 1v85 n SER 72 Cb 0.41 -0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 1v85 n SER 72 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1v85 h HIS 73 N 0.00 0.29 -0.82 1.43 6.17 -0.57 -1.92 115.15 119.74 1v85 h HIS 73 Ca 0.54 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.62 1v85 h HIS 73 Cb 1.34 -0.10 -0.04 0.00 2.52 0.00 0.00 27.41 31.13 1v85 h HIS 73 CO -0.14 0.18 0.48 0.00 0.71 0.00 0.00 177.93 179.16 1v85 h ARG 74 N 0.32 1.12 -0.55 5.26 3.08 0.27 -1.91 114.38 121.98 1v85 h ARG 74 Ca 0.09 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1v85 h ARG 74 Cb -0.03 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.75 1v85 h ARG 74 CO -0.02 0.80 0.34 -0.09 -1.07 0.00 0.00 179.97 179.92 1v85 h ARG 75 N 1.13 0.65 -0.03 0.04 1.12 -0.94 0.16 114.38 116.50 1v85 h ARG 75 Ca 0.29 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 59.12 1v85 h ARG 75 Cb -0.03 -0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 29.79 1v85 h ARG 75 CO -0.05 0.43 0.02 0.28 -3.11 0.00 0.00 179.97 177.53 1v85 h VAL 76 N 0.67 1.11 0.72 0.20 2.07 -0.99 0.10 116.25 120.14 1v85 h VAL 76 Ca 0.22 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1v85 h VAL 76 Cb 0.00 1.28 0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1v85 h VAL 76 CO -0.09 0.09 -0.35 0.40 0.02 0.00 0.00 177.57 177.65 1v85 h ILE 77 N -0.08 0.00 -0.15 4.57 2.04 -1.12 0.20 117.51 122.97 1v85 h ILE 77 Ca 0.01 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1v85 h ILE 77 Cb 0.14 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.15 1v85 h ILE 77 CO -0.00 0.00 -0.30 -0.07 0.00 0.00 0.00 178.15 177.78 1v85 h LEU 78 N -1.06 -0.95 0.00 1.44 3.38 -0.75 0.43 115.31 117.81 1v85 h LEU 78 Ca -0.10 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1v85 h LEU 78 Cb 0.75 0.41 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 1v85 h LEU 78 CO 0.16 -0.34 -0.18 0.74 0.09 0.00 0.00 178.44 178.91 1v85 h THR 79 N -0.37 0.57 -0.72 0.22 2.02 -0.83 0.68 112.91 114.48 1v85 h THR 79 Ca 0.10 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.33 1v85 h THR 79 Cb 0.53 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1v85 h THR 79 CO -0.36 0.00 0.48 -0.33 0.37 0.00 0.00 175.52 175.68 1v85 h GLU 80 N -0.29 0.81 -0.16 6.66 4.39 -0.13 -1.34 114.58 124.52 1v85 h GLU 80 Ca 0.06 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.59 1v85 h GLU 80 Cb 0.37 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1v85 h GLU 80 CO -0.17 0.54 -0.41 1.25 -1.16 0.00 0.00 179.01 179.06 1v85 h LEU 81 N 0.84 0.38 -2.29 1.33 5.85 0.67 -2.53 115.31 119.56 1v85 h LEU 81 Ca 0.30 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1v85 h LEU 81 Cb 0.12 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1v85 h LEU 81 CO -0.09 0.75 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.64 1v85 h GLU 82 N 0.30 0.00 0.00 1.25 4.57 0.29 -0.83 114.58 120.16 1v85 h GLU 82 Ca 0.03 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 1v85 h GLU 82 Cb 0.86 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 1v85 h GLU 82 CO 0.07 0.04 -0.62 0.00 -1.18 0.00 0.00 179.01 177.32 1v85 h ARG 83 N 0.00 0.00 -0.91 1.92 3.08 -1.34 -2.70 114.38 114.43 1v85 h ARG 83 Ca -0.00 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.16 1v85 h ARG 83 Cb 0.19 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.17 1v85 h ARG 83 CO 0.01 0.47 0.59 -0.39 -1.07 0.00 0.00 179.97 179.58 1v85 h VAL 84 N -1.00 0.94 -0.01 2.04 -1.51 -1.39 -2.33 116.25 112.99 1v85 h VAL 84 Ca -0.12 -0.30 -0.06 0.00 -1.23 0.00 0.00 66.70 64.98 1v85 h VAL 84 Cb 0.77 -0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.92 1v85 h VAL 84 CO -0.07 0.16 -0.24 0.08 -1.23 0.00 0.00 177.57 176.26 1v85 h ARG 85 N 0.88 0.19 -0.16 5.19 0.11 -1.32 -3.36 114.38 115.91 1v85 h ARG 85 Ca 0.43 -0.19 0.02 0.00 0.10 0.00 0.00 59.98 60.35 1v85 h ARG 85 Cb 0.47 0.05 -0.04 0.00 1.11 0.00 0.00 29.97 31.56 1v85 h ARG 85 CO -0.20 0.90 -0.25 1.03 0.10 0.00 0.00 179.97 181.55 1v85 h SER 86 N -0.45 -0.82 0.00 0.08 0.87 -1.09 -3.49 113.55 108.65 1v85 h SER 86 Ca -0.03 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1v85 h SER 86 Cb 0.97 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1v85 h SER 86 CO 0.05 -0.19 0.00 0.61 -0.53 0.00 0.00 176.83 176.77 1v85 n GLY 87 N -1.17 0.07 3.55 5.77 0.00 -0.92 -4.98 105.19 107.50 1v85 n GLY 87 Ca -0.02 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.93 1v85 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v85 s PRO 88 N -0.10 2.62 -0.20 1.61 0.04 -1.26 -4.92 135.00 132.79 1v85 s PRO 88 Ca 0.00 0.59 -0.21 0.00 0.04 0.00 0.00 61.00 61.42 1v85 s PRO 88 Cb 0.00 -4.40 0.06 0.00 0.04 0.00 0.00 34.50 30.19 1v85 s PRO 88 CO 0.00 -2.75 0.59 -1.12 0.04 0.00 0.00 177.00 173.76 1v85 s SER 89 N 8.12 -0.61 -0.11 6.66 0.01 -1.26 -5.07 113.70 121.45 1v85 s SER 89 Ca 0.67 1.12 -0.27 0.00 1.31 0.00 0.00 55.95 58.79 1v85 s SER 89 Cb -0.12 1.13 -0.24 0.00 0.21 0.00 0.00 66.02 67.00 1v85 s SER 89 CO 0.20 -0.24 0.87 -1.28 0.41 0.00 0.00 173.24 173.20 1v85 h SER 90 N 5.00 -0.01 0.00 2.44 0.87 -2.03 -3.53 113.55 116.28 1v85 h SER 90 Ca -0.28 -0.82 0.00 0.00 -1.23 0.00 0.00 61.79 59.46 1v85 h SER 90 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1v85 h SER 90 CO 0.16 0.84 0.00 0.61 -0.53 0.00 0.00 176.83 177.91