#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 4.39 -4.47 1.61 7.64 -1.26 -5.01 113.62 116.52 1v85 n SER 2 Ca 0.00 -0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1v85 n SER 2 Cb 0.00 0.24 -0.08 0.00 -1.01 0.00 0.00 64.21 63.35 1v85 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1v85 n SER 3 N -2.28 -1.10 -4.56 6.43 7.64 -1.26 -4.90 113.62 113.58 1v85 n SER 3 Ca -0.01 -1.25 -0.33 0.00 1.01 0.00 0.00 58.87 58.29 1v85 n SER 3 Cb 0.51 -1.59 -0.11 0.00 -1.01 0.00 0.00 64.21 62.01 1v85 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1v85 s GLY 4 N -3.53 1.67 -1.61 0.23 0.00 -1.26 -4.58 107.32 98.24 1v85 s GLY 4 Ca 0.62 -0.93 -0.16 0.00 0.00 0.00 0.00 44.72 44.26 1v85 s GLY 4 CO 1.02 -0.72 0.89 1.44 0.00 0.00 0.00 173.10 175.72 1v85 n SER 5 N 2.13 -4.03 -3.70 1.64 7.64 -1.26 -4.95 113.62 111.10 1v85 n SER 5 Ca -0.17 -0.89 -0.26 0.00 1.01 0.00 0.00 58.87 58.56 1v85 n SER 5 Cb 0.53 -3.37 -0.17 0.00 -1.01 0.00 0.00 64.21 60.19 1v85 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1v85 s SER 6 N -3.33 2.49 -0.11 6.43 1.04 -1.26 -5.13 113.70 113.82 1v85 s SER 6 Ca 0.68 -0.62 0.02 0.00 0.48 0.00 0.00 55.95 56.51 1v85 s SER 6 Cb -0.36 -0.44 -0.01 0.00 0.10 0.00 0.00 66.02 65.31 1v85 s SER 6 CO 0.88 -0.30 -0.17 -0.83 0.98 0.00 0.00 173.24 173.79 1v85 s GLY 7 N 1.97 1.47 -0.06 7.32 0.00 -1.26 -5.05 107.32 111.70 1v85 s GLY 7 Ca 0.01 -0.93 -0.10 0.00 0.00 0.00 0.00 44.72 43.70 1v85 s GLY 7 CO -0.08 -0.32 0.25 -0.54 0.00 0.00 0.00 173.10 172.41 1v85 s GLU 8 N 0.19 0.41 -0.23 2.90 2.02 -1.26 -5.14 118.70 117.59 1v85 s GLU 8 Ca -0.10 0.12 -0.01 0.00 0.02 0.00 0.00 54.97 55.00 1v85 s GLU 8 Cb -0.16 0.19 0.02 0.00 0.10 0.00 0.00 34.13 34.29 1v85 s GLU 8 CO 0.06 -0.08 -0.09 -3.38 0.02 0.00 0.00 175.26 171.79 1v85 s HIS 9 N -0.42 3.01 0.00 1.61 -3.43 -1.26 -4.68 115.29 110.12 1v85 s HIS 9 Ca -0.05 -1.54 0.00 0.00 -0.80 0.00 0.00 55.06 52.67 1v85 s HIS 9 Cb -0.04 -2.03 0.00 0.00 -1.43 0.00 0.00 32.58 29.08 1v85 s HIS 9 CO 0.01 -0.73 0.00 0.41 -2.00 0.00 0.00 174.74 172.44 1v85 n GLY 10 N 4.66 3.88 0.14 -1.38 0.00 -1.26 -4.92 105.19 106.31 1v85 n GLY 10 Ca -0.17 -0.79 0.10 0.00 0.00 0.00 0.00 46.02 45.16 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 0.52 -0.39 0.99 -0.00 -1.26 -3.19 117.00 113.67 1v85 n LEU 11 Ca 0.00 0.73 -0.04 0.00 -0.00 0.00 0.00 56.01 56.69 1v85 n LEU 11 Cb 0.00 -0.77 -0.00 0.00 -0.00 0.00 0.00 43.42 42.64 1v85 n LEU 11 CO 0.00 -0.86 0.55 0.18 -0.00 0.00 0.00 177.39 177.25 1v85 n LEU 12 N -2.18 -0.78 -0.06 1.47 7.99 -1.26 -0.38 117.00 121.80 1v85 n LEU 12 Ca -0.01 1.74 -0.11 0.00 -0.01 0.00 0.00 56.01 57.63 1v85 n LEU 12 Cb 0.05 -0.34 -0.04 0.00 -0.11 0.00 0.00 43.42 42.98 1v85 n LEU 12 CO 0.10 -1.52 0.85 -0.37 -1.51 0.00 0.00 177.39 174.94 1v85 h VAL 13 N 0.00 1.17 -1.09 4.08 -1.51 -1.84 -2.71 116.25 114.35 1v85 h VAL 13 Ca 0.28 -0.53 0.30 0.00 -1.23 0.00 0.00 66.70 65.53 1v85 h VAL 13 Cb 0.53 1.14 -0.10 0.00 -2.13 0.00 0.00 31.29 30.73 1v85 h VAL 13 CO -0.97 0.17 0.70 0.45 -1.23 0.00 0.00 177.57 176.70 1v85 h HIS 14 N 0.18 0.63 -3.47 5.19 3.86 -0.90 -3.37 115.15 117.28 1v85 h HIS 14 Ca 0.07 0.02 -0.63 0.00 -1.16 0.00 0.00 60.37 58.67 1v85 h HIS 14 Cb 0.20 -0.18 -0.18 0.00 1.06 0.00 0.00 27.41 28.31 1v85 h HIS 14 CO -0.01 -0.00 -0.57 0.21 0.86 0.00 0.00 177.93 178.42 1v85 s LYS 15 N -5.45 3.90 0.58 2.45 2.20 -0.14 -5.07 119.74 118.21 1v85 s LYS 15 Ca -0.08 -0.37 -0.18 0.00 -0.36 0.00 0.00 55.97 54.98 1v85 s LYS 15 Cb 0.26 -3.31 -0.10 0.00 -1.51 0.00 0.00 37.83 33.17 1v85 s LYS 15 CO 0.80 0.09 0.27 0.00 -0.36 0.00 0.00 175.35 176.15 1v85 n ALA 16 N 4.10 -1.97 0.09 3.13 0.00 -1.26 -4.82 120.51 119.78 1v85 n ALA 16 Ca -0.16 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.12 1v85 n ALA 16 Cb 0.52 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 0.03 1.51 0.00 0.00 2.07 -1.85 -3.00 116.25 115.01 1v85 h VAL 17 Ca -0.44 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 64.45 1v85 h VAL 17 Cb 1.41 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 33.63 1v85 h VAL 17 CO 0.44 0.76 0.00 -0.90 0.02 0.00 0.00 177.57 177.89 1v85 n ASP 18 N -3.65 0.00 -0.19 0.57 5.75 -1.26 -1.61 116.55 116.16 1v85 n ASP 18 Ca -0.03 -0.40 0.03 0.00 -0.01 0.00 0.00 54.79 54.38 1v85 n ASP 18 Cb 0.79 -0.05 0.01 0.00 -1.03 0.00 0.00 41.12 40.84 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 -1.05 1.40 -0.94 0.11 4.01 -1.14 -3.71 118.16 116.84 1v85 n LYS 19 Ca 0.11 -0.64 -0.31 0.00 -0.51 0.00 0.00 58.31 56.96 1v85 n LYS 19 Cb 0.07 -1.03 0.14 0.00 -0.51 0.00 0.00 35.03 33.70 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 -0.84 2.02 0.23 2.13 0.52 -0.63 -4.94 118.94 117.42 1v85 s TRP 20 Ca 0.06 1.61 0.08 0.00 0.02 0.00 0.00 56.10 57.87 1v85 s TRP 20 Cb 0.05 -3.20 -0.04 0.00 -1.15 0.00 0.00 33.47 29.13 1v85 s TRP 20 CO 0.13 -2.47 0.05 0.95 0.02 0.00 0.00 176.95 175.62 1v85 s THR 21 N -2.76 3.80 0.62 2.01 -4.23 -1.26 -3.04 115.64 110.79 1v85 s THR 21 Ca 0.64 -1.61 0.21 0.00 -1.18 0.00 0.00 61.69 59.75 1v85 s THR 21 Cb -0.20 -3.00 0.30 0.00 1.34 0.00 0.00 72.50 70.94 1v85 s THR 21 CO 0.58 -0.28 1.32 0.74 -0.54 0.00 0.00 174.62 176.44 1v85 h THR 22 N 1.98 0.04 0.00 3.99 2.02 -1.88 0.31 112.91 119.37 1v85 h THR 22 Ca -0.46 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 1v85 h THR 22 Cb 1.23 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1v85 h THR 22 CO 0.60 0.00 -0.17 -0.08 0.37 0.00 0.00 175.52 176.24 1v85 h GLU 23 N 0.00 0.00 -0.54 6.66 4.81 -1.93 -3.31 114.58 120.27 1v85 h GLU 23 Ca 0.33 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.62 1v85 h GLU 23 Cb 2.45 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.78 1v85 h GLU 23 CO -0.00 0.42 0.25 0.93 -0.73 0.00 0.00 179.01 179.88 1v85 h GLU 24 N -1.00 0.47 -0.76 1.92 4.39 -0.85 -1.64 114.58 117.12 1v85 h GLU 24 Ca -0.03 -0.03 0.17 0.00 0.34 0.00 0.00 59.36 59.81 1v85 h GLU 24 Cb 0.50 -0.11 -0.13 0.00 -0.10 0.00 0.00 28.75 28.92 1v85 h GLU 24 CO -0.02 0.31 0.00 0.28 -1.16 0.00 0.00 179.01 178.42 1v85 h VAL 25 N 0.48 0.34 -0.14 3.13 2.07 -1.19 0.30 116.25 121.24 1v85 h VAL 25 Ca 0.25 -0.03 -0.15 0.00 0.82 0.00 0.00 66.70 67.59 1v85 h VAL 25 Cb 0.20 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1v85 h VAL 25 CO -0.20 0.02 -0.54 0.58 0.02 0.00 0.00 177.57 177.45 1v85 h VAL 26 N 0.10 1.34 0.40 2.57 2.07 -1.50 -2.78 116.25 118.45 1v85 h VAL 26 Ca 0.41 -1.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 1v85 h VAL 26 Cb 0.72 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1v85 h VAL 26 CO -0.67 0.55 -0.19 -0.07 0.02 0.00 0.00 177.57 177.21 1v85 h LEU 27 N 0.31 -0.46 -0.96 2.57 3.38 0.38 0.52 115.31 121.05 1v85 h LEU 27 Ca 0.01 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.00 1v85 h LEU 27 Cb 1.05 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.85 1v85 h LEU 27 CO 0.09 -0.23 0.61 -0.25 0.09 0.00 0.00 178.44 178.75 1v85 h TRP 28 N -0.66 1.12 0.00 1.13 7.01 -0.84 -0.93 115.95 122.78 1v85 h TRP 28 Ca -0.06 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 60.85 1v85 h TRP 28 Cb 0.48 -0.36 -0.02 0.00 -2.10 0.00 0.00 29.16 27.16 1v85 h TRP 28 CO -0.02 0.56 -0.57 1.25 -2.79 0.00 0.00 178.44 176.86 1v85 h LEU 29 N 1.08 0.00 0.00 0.65 5.85 -1.33 -2.89 115.31 118.67 1v85 h LEU 29 Ca 0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.14 1v85 h LEU 29 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1v85 h LEU 29 CO -0.19 0.57 0.00 -0.62 -0.34 0.00 0.00 178.44 177.87 1v85 n GLU 30 N -3.54 0.87 -0.03 1.25 1.02 0.18 -2.85 120.64 117.54 1v85 n GLU 30 Ca -0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1v85 n GLU 30 Cb 0.65 -1.17 -0.08 0.00 -0.02 0.00 0.00 31.44 30.82 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 -0.67 1.66 0.22 3.49 6.02 -1.07 -4.51 117.38 122.52 1v85 n GLN 31 Ca 0.07 -0.04 0.06 0.00 -0.01 0.00 0.00 57.00 57.08 1v85 n GLN 31 Cb 0.03 -1.26 0.50 0.00 1.02 0.00 0.00 30.24 30.54 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 -1.57 -3.47 115.31 114.74 1v85 h LEU 32 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1v85 h LEU 32 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1v85 h LEU 32 CO 0.01 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.37 1v85 n GLY 33 N -0.79 0.68 0.25 0.83 0.00 -1.26 -5.01 105.19 99.91 1v85 n GLY 33 Ca -0.02 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.68 132.00 129.16 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 0.12 0.00 0.11 -0.23 0.00 0.00 178.00 178.00 1v85 h TRP 35 N 0.00 0.00 -0.39 1.56 5.08 -1.94 -2.82 115.95 117.44 1v85 h TRP 35 Ca -0.00 0.00 0.05 0.00 1.08 0.00 0.00 58.89 60.02 1v85 h TRP 35 Cb 0.58 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.72 1v85 h TRP 35 CO 0.00 0.00 0.26 0.00 -1.28 0.00 0.00 178.44 177.42 1v85 h ALA 36 N 2.14 1.96 0.00 0.11 0.00 -1.73 0.78 119.26 122.53 1v85 h ALA 36 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1v85 h ALA 36 Cb 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1v85 h ALA 36 CO 0.00 -0.03 0.00 0.45 0.00 0.00 0.00 179.25 179.67 1v85 n SER 37 N -4.48 0.33 0.04 0.00 2.88 -1.06 -0.51 113.62 110.82 1v85 n SER 37 Ca 0.05 0.61 0.12 0.00 -1.33 0.00 0.00 58.87 58.32 1v85 n SER 37 Cb 0.22 -0.67 0.29 0.00 -0.75 0.00 0.00 64.21 63.31 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 -1.90 0.55 -0.00 2.46 4.77 0.27 -3.96 117.00 119.19 1v85 n LEU 38 Ca 0.01 0.25 0.01 0.00 -0.03 0.00 0.00 56.01 56.25 1v85 n LEU 38 Cb 0.11 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1v85 n LEU 38 CO 0.11 -0.01 -0.48 -1.22 -1.33 0.00 0.00 177.39 174.46 1v85 n TYR 39 N -1.87 0.00 -0.26 -1.77 4.01 -0.24 -4.70 117.16 112.33 1v85 n TYR 39 Ca 0.05 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.85 1v85 n TYR 39 Cb 0.39 -0.04 0.19 0.00 -0.31 0.00 0.00 39.34 39.57 1v85 n TYR 39 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 1v85 h ARG 40 N 0.00 0.19 -0.91 -0.72 0.11 -0.92 0.18 114.38 112.31 1v85 h ARG 40 Ca 0.00 -0.01 0.22 0.00 0.10 0.00 0.00 59.98 60.29 1v85 h ARG 40 Cb 0.08 -0.04 -0.12 0.00 1.11 0.00 0.00 29.97 30.99 1v85 h ARG 40 CO 0.00 0.12 0.42 0.22 0.10 0.00 0.00 179.97 180.84 1v85 h ASP 41 N 0.19 0.39 -0.21 0.08 1.82 -1.84 0.24 116.42 117.09 1v85 h ASP 41 Ca 0.43 0.15 -0.15 0.00 -0.39 0.00 0.00 57.03 57.07 1v85 h ASP 41 Cb 0.77 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.89 1v85 h ASP 41 CO -0.59 0.02 -0.41 0.03 -1.61 0.00 0.00 179.24 176.69 1v85 h ARG 42 N 0.43 0.76 -0.50 0.28 3.08 -0.98 0.09 114.38 117.54 1v85 h ARG 42 Ca 0.57 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1v85 h ARG 42 Cb 1.06 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 1v85 h ARG 42 CO -0.51 1.02 0.26 0.74 -1.07 0.00 0.00 179.97 180.41 1v85 h PHE 43 N 0.61 0.70 0.16 3.04 -1.00 0.00 0.21 116.94 120.67 1v85 h PHE 43 Ca 0.05 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 1v85 h PHE 43 Cb 0.96 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 40.31 1v85 h PHE 43 CO 0.05 0.54 -0.08 -0.07 -1.61 0.00 0.00 178.31 177.15 1v85 h LEU 44 N 0.66 -0.18 -0.38 1.54 -0.00 -1.02 1.03 115.31 116.96 1v85 h LEU 44 Ca 0.17 -0.33 0.08 0.00 -0.00 0.00 0.00 57.88 57.81 1v85 h LEU 44 Cb 0.09 0.05 -0.08 0.00 -0.00 0.00 0.00 40.66 40.71 1v85 h LEU 44 CO -0.02 0.39 -0.19 -1.28 -0.00 0.00 0.00 178.44 177.34 1v85 h SER 45 N -0.92 -0.64 -0.01 -0.43 0.87 -1.00 0.47 113.55 111.88 1v85 h SER 45 Ca -0.02 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1v85 h SER 45 Cb 0.50 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1v85 h SER 45 CO 0.04 -0.22 0.00 -0.62 -0.53 0.00 0.00 176.83 175.49 1v85 n GLU 46 N -5.37 1.05 -3.49 2.24 -0.58 0.06 -4.85 120.64 109.71 1v85 n GLU 46 Ca 0.02 -0.06 -0.23 0.00 -0.42 0.00 0.00 57.16 56.47 1v85 n GLU 46 Cb 0.28 -1.13 -0.03 0.00 -0.57 0.00 0.00 31.44 29.99 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 -0.35 -2.42 -1.56 3.49 5.12 0.16 -4.75 116.66 116.36 1v85 n ARG 47 Ca 0.01 0.24 -0.38 0.00 -1.93 0.00 0.00 57.85 55.79 1v85 n ARG 47 Cb 0.07 -4.85 -0.03 0.00 -1.16 0.00 0.00 32.46 26.49 1v85 n ARG 47 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1v85 n VAL 48 N -3.57 0.00 -3.08 1.55 0.31 0.35 -4.82 118.33 109.08 1v85 n VAL 48 Ca 0.03 -0.73 -0.23 0.00 -0.01 0.00 0.00 64.34 63.40 1v85 n VAL 48 Cb 0.50 -2.74 0.01 0.00 -0.91 0.00 0.00 33.84 30.70 1v85 n VAL 48 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1v85 s ASN 49 N 11.40 5.94 0.11 4.52 2.20 -1.26 -4.44 114.94 133.41 1v85 s ASN 49 Ca 0.99 0.31 -0.22 0.00 -0.94 0.00 0.00 52.86 53.00 1v85 s ASN 49 Cb -0.22 -1.63 -0.05 0.00 -2.00 0.00 0.00 41.25 37.35 1v85 s ASN 49 CO 0.28 -0.61 1.39 1.23 -2.94 0.00 0.00 177.10 176.45 1v85 h GLY 50 N 0.49 -1.37 -0.87 0.45 0.00 -1.71 0.16 103.07 100.23 1v85 h GLY 50 Ca -0.47 0.89 0.16 0.00 0.00 0.00 0.00 47.33 47.91 1v85 h GLY 50 CO 0.58 -0.27 -0.26 -2.13 0.00 0.00 0.00 176.54 174.46 1v85 n ARG 51 N -4.61 -0.13 -0.18 4.80 0.00 -1.23 0.15 116.66 115.45 1v85 n ARG 51 Ca 0.01 1.34 -0.09 0.00 -0.00 0.00 0.00 57.85 59.11 1v85 n ARG 51 Cb 0.19 -2.00 0.03 0.00 0.00 0.00 0.00 32.46 30.68 1v85 n ARG 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1v85 h LEU 52 N 0.00 1.02 -1.21 6.15 5.85 -1.28 -2.49 115.31 123.34 1v85 h LEU 52 Ca 0.37 -0.32 0.09 0.00 0.84 0.00 0.00 57.88 58.86 1v85 h LEU 52 Cb 0.59 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 1v85 h LEU 52 CO -0.88 1.12 0.57 0.25 -0.34 0.00 0.00 178.44 179.16 1v85 h LEU 53 N 0.92 0.79 0.01 2.25 5.85 0.40 -0.26 115.31 125.27 1v85 h LEU 53 Ca 0.15 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1v85 h LEU 53 Cb 0.64 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1v85 h LEU 53 CO 0.04 0.47 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.54 1v85 h LEU 54 N 0.88 -0.01 -0.68 2.25 3.38 -0.77 -3.26 115.31 117.09 1v85 h LEU 54 Ca 0.40 -0.57 0.09 0.00 0.09 0.00 0.00 57.88 57.90 1v85 h LEU 54 Cb 0.39 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 1v85 h LEU 54 CO -0.17 0.57 0.33 0.71 0.09 0.00 0.00 178.44 179.96 1v85 h THR 55 N -0.60 0.84 -1.86 0.22 1.35 -1.02 -3.43 112.91 108.42 1v85 h THR 55 Ca -0.00 -0.19 -0.63 0.00 -0.55 0.00 0.00 66.41 65.04 1v85 h THR 55 Cb 0.58 0.23 0.13 0.00 -1.73 0.00 0.00 68.15 67.36 1v85 h THR 55 CO 0.00 0.10 -0.40 0.18 -0.25 0.00 0.00 175.52 175.15 1v85 n LEU 56 N -4.89 -0.41 -4.39 3.87 4.77 -0.15 -4.99 117.00 110.81 1v85 n LEU 56 Ca 0.10 1.02 -0.20 0.00 -0.03 0.00 0.00 56.01 56.91 1v85 n LEU 56 Cb 0.27 -1.07 -0.10 0.00 -2.33 0.00 0.00 43.42 40.18 1v85 n LEU 56 CO 0.25 -2.78 -0.31 0.42 -1.33 0.00 0.00 177.39 173.63 1v85 s THR 57 N -1.26 1.20 0.24 -5.08 -4.23 -1.26 -4.97 115.64 100.28 1v85 s THR 57 Ca 0.62 -2.04 0.03 0.00 -1.18 0.00 0.00 61.69 59.12 1v85 s THR 57 Cb -0.73 -2.54 0.32 0.00 1.34 0.00 0.00 72.50 70.89 1v85 s THR 57 CO 0.58 -0.19 1.21 1.21 -0.54 0.00 0.00 174.62 176.89 1v85 n GLU 58 N -0.55 -0.06 0.00 3.99 0.00 -1.26 -1.10 120.64 121.66 1v85 n GLU 58 Ca -0.04 1.15 0.00 0.00 0.00 0.00 0.00 57.16 58.27 1v85 n GLU 58 Cb 0.65 -1.84 0.00 0.00 0.00 0.00 0.00 31.44 30.25 1v85 n GLU 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1v85 n GLU 59 N -5.05 0.00 -0.27 5.31 1.02 -1.26 -1.62 120.64 118.77 1v85 n GLU 59 Ca 0.19 0.39 0.13 0.00 -0.02 0.00 0.00 57.16 57.85 1v85 n GLU 59 Cb 0.63 -1.33 0.25 0.00 -0.02 0.00 0.00 31.44 30.97 1v85 n GLU 59 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1v85 n GLU 60 N -1.67 -0.06 -0.25 3.49 1.02 -0.43 0.24 120.64 122.97 1v85 n GLU 60 Ca 0.00 1.18 -0.06 0.00 -0.02 0.00 0.00 57.16 58.27 1v85 n GLU 60 Cb 0.00 -1.90 0.05 0.00 -0.02 0.00 0.00 31.44 29.57 1v85 n GLU 60 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1v85 h PHE 61 N 0.00 0.95 0.00 -0.32 0.04 -1.09 -1.27 116.94 115.26 1v85 h PHE 61 Ca 0.50 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.25 1v85 h PHE 61 Cb 1.06 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.90 1v85 h PHE 61 CO -0.37 0.66 0.00 0.45 -0.60 0.00 0.00 178.31 178.45 1v85 n SER 62 N -4.51 0.00 -4.91 2.17 2.88 0.65 -0.35 113.62 109.55 1v85 n SER 62 Ca 0.06 -0.27 -0.32 0.00 -1.33 0.00 0.00 58.87 57.01 1v85 n SER 62 Cb 0.08 -0.24 -0.04 0.00 -0.75 0.00 0.00 64.21 63.25 1v85 n SER 62 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1v85 s ARG 63 N -2.48 3.48 0.74 -1.46 1.81 0.74 -3.82 118.95 117.96 1v85 s ARG 63 Ca 0.31 -0.31 -0.15 0.00 -1.72 0.00 0.00 55.73 53.85 1v85 s ARG 63 Cb 0.20 -3.03 0.02 0.00 -0.45 0.00 0.00 34.95 31.68 1v85 s ARG 63 CO 0.44 0.61 0.98 0.00 -0.68 0.00 0.00 175.30 176.65 1v85 n ALA 64 N 0.54 -0.29 -0.12 2.13 0.00 -1.26 0.11 120.51 121.63 1v85 n ALA 64 Ca -0.07 -0.22 -0.13 0.00 0.00 0.00 0.00 53.44 53.02 1v85 n ALA 64 Cb 0.52 -2.12 -0.02 0.00 0.00 0.00 0.00 19.45 17.82 1v85 n ALA 64 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1v85 h PRO 65 N -0.37 0.92 -0.85 0.00 0.13 -1.95 -3.42 132.00 126.45 1v85 h PRO 65 Ca -0.47 -0.48 0.26 0.00 -0.87 0.00 0.00 66.00 64.44 1v85 h PRO 65 Cb 1.33 0.02 -0.16 0.00 0.13 0.00 0.00 31.00 32.32 1v85 h PRO 65 CO 0.46 1.13 0.11 0.66 -0.23 0.00 0.00 178.00 180.14 1v85 n TYR 66 N -4.09 0.64 -2.18 1.56 4.01 -1.14 -4.64 117.16 111.33 1v85 n TYR 66 Ca -0.02 1.03 -0.02 0.00 -0.16 0.00 0.00 57.90 58.72 1v85 n TYR 66 Cb 0.54 -1.20 -0.00 0.00 -0.31 0.00 0.00 39.34 38.36 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 -5.17 0.00 -1.32 -0.72 5.66 0.12 -4.61 114.28 108.24 1v85 n THR 67 Ca 0.23 0.00 -0.55 0.00 -3.05 0.00 0.00 64.05 60.68 1v85 n THR 67 Cb 0.75 -0.02 -0.12 0.00 -1.55 0.00 0.00 70.33 69.39 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 -2.05 0.02 -0.04 1.09 5.41 0.53 -4.76 119.36 119.56 1v85 n ILE 68 Ca 0.01 -0.04 0.03 0.00 1.00 0.00 0.00 62.75 63.75 1v85 n ILE 68 Cb 0.39 -0.65 -0.16 0.00 -0.71 0.00 0.00 39.64 38.50 1v85 n ILE 68 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1v85 n GLU 69 N 7.79 0.68 -2.51 0.38 1.02 -1.26 -4.19 120.64 122.55 1v85 n GLU 69 Ca 0.55 -0.13 -0.40 0.00 -0.02 0.00 0.00 57.16 57.16 1v85 n GLU 69 Cb 0.01 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 29.90 1v85 n GLU 69 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1v85 s ASN 70 N -4.85 6.49 0.14 1.62 -0.87 -1.26 -4.86 114.94 111.35 1v85 s ASN 70 Ca -0.09 -1.87 -0.18 0.00 -1.57 0.00 0.00 52.86 49.15 1v85 s ASN 70 Cb 0.11 -2.58 0.05 0.00 -0.02 0.00 0.00 41.25 38.82 1v85 s ASN 70 CO 0.87 -1.52 1.11 -0.24 -2.57 0.00 0.00 177.10 174.74 1v85 n SER 71 N 9.30 -0.62 -0.25 -1.22 2.88 -1.26 0.11 113.62 122.55 1v85 n SER 71 Ca 0.41 1.26 0.12 0.00 -1.33 0.00 0.00 58.87 59.34 1v85 n SER 71 Cb 0.48 -0.22 0.24 0.00 -0.75 0.00 0.00 64.21 63.96 1v85 n SER 71 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1v85 n SER 72 N -4.97 -0.05 0.29 -3.46 7.64 -1.26 0.90 113.62 112.71 1v85 n SER 72 Ca 0.04 1.24 -0.17 0.00 1.01 0.00 0.00 58.87 60.99 1v85 n SER 72 Cb 0.23 -0.47 -0.08 0.00 -1.01 0.00 0.00 64.21 62.88 1v85 n SER 72 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1v85 h HIS 73 N 0.00 -0.80 -0.76 1.43 3.86 0.38 -1.60 115.15 117.67 1v85 h HIS 73 Ca 0.46 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.83 1v85 h HIS 73 Cb 0.99 0.28 -0.11 0.00 1.06 0.00 0.00 27.41 29.63 1v85 h HIS 73 CO -0.33 -0.47 0.21 0.00 0.86 0.00 0.00 177.93 178.19 1v85 h ARG 74 N -0.77 0.28 -0.52 2.45 3.08 0.52 0.13 114.38 119.55 1v85 h ARG 74 Ca -0.06 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1v85 h ARG 74 Cb 0.62 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1v85 h ARG 74 CO 0.07 0.18 0.33 -0.09 -1.07 0.00 0.00 179.97 179.39 1v85 h ARG 75 N 0.28 0.70 0.26 0.04 1.12 -1.03 0.94 114.38 116.69 1v85 h ARG 75 Ca 0.44 -0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 59.24 1v85 h ARG 75 Cb 0.77 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.58 1v85 h ARG 75 CO -0.52 0.48 -0.12 0.28 -3.11 0.00 0.00 179.97 176.98 1v85 h VAL 76 N 0.70 0.79 0.73 0.20 2.07 0.05 0.14 116.25 120.93 1v85 h VAL 76 Ca 0.19 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1v85 h VAL 76 Cb -0.05 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1v85 h VAL 76 CO -0.04 0.07 -0.44 0.40 0.02 0.00 0.00 177.57 177.58 1v85 h ILE 77 N -0.51 0.11 0.29 4.57 2.04 -0.75 0.23 117.51 123.50 1v85 h ILE 77 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1v85 h ILE 77 Cb 0.38 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1v85 h ILE 77 CO 0.06 0.00 -0.40 -0.07 0.00 0.00 0.00 178.15 177.74 1v85 h LEU 78 N -1.10 -1.11 -0.13 1.44 3.38 -0.87 0.30 115.31 117.22 1v85 h LEU 78 Ca -0.10 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1v85 h LEU 78 Cb 0.88 0.39 -0.06 0.00 0.09 0.00 0.00 40.66 41.96 1v85 h LEU 78 CO 0.10 -0.52 -0.30 0.74 0.09 0.00 0.00 178.44 178.56 1v85 h THR 79 N -0.74 0.32 -0.70 0.22 2.02 -0.71 0.58 112.91 113.91 1v85 h THR 79 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 1v85 h THR 79 Cb 0.70 0.32 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 1v85 h THR 79 CO -0.13 0.00 0.39 -0.33 0.37 0.00 0.00 175.52 175.82 1v85 h GLU 80 N -0.37 0.70 -0.77 6.66 4.39 -0.33 -1.97 114.58 122.89 1v85 h GLU 80 Ca 0.10 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.77 1v85 h GLU 80 Cb 0.52 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 1v85 h GLU 80 CO -0.34 0.46 0.51 1.25 -1.16 0.00 0.00 179.01 179.73 1v85 h LEU 81 N 0.72 0.86 -2.33 1.33 5.85 0.48 -0.86 115.31 121.37 1v85 h LEU 81 Ca 0.31 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.04 1v85 h LEU 81 Cb 0.20 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1v85 h LEU 81 CO -0.19 0.62 0.21 -0.08 -0.34 0.00 0.00 178.44 178.67 1v85 h GLU 82 N 1.02 0.00 0.00 1.25 4.57 -0.12 -0.63 114.58 120.67 1v85 h GLU 82 Ca 0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 1v85 h GLU 82 Cb -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1v85 h GLU 82 CO -0.07 0.00 -0.11 0.00 -1.18 0.00 0.00 179.01 177.65 1v85 h ARG 83 N 0.00 0.00 -1.26 1.92 3.08 -1.07 -2.88 114.38 114.17 1v85 h ARG 83 Ca 0.04 0.00 0.36 0.00 0.07 0.00 0.00 59.98 60.45 1v85 h ARG 83 Cb 0.46 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.45 1v85 h ARG 83 CO -0.00 0.00 0.89 -0.39 -1.07 0.00 0.00 179.97 179.40 1v85 h VAL 84 N -0.32 0.37 0.20 2.04 -1.51 -1.32 0.42 116.25 116.13 1v85 h VAL 84 Ca 0.00 -0.02 -0.32 0.00 -1.23 0.00 0.00 66.70 65.13 1v85 h VAL 84 Cb 0.11 0.31 0.03 0.00 -2.13 0.00 0.00 31.29 29.62 1v85 h VAL 84 CO 0.00 0.01 -1.38 0.08 -1.23 0.00 0.00 177.57 175.05 1v85 h ARG 85 N 0.05 0.57 -6.62 5.19 0.11 -1.28 -3.42 114.38 108.99 1v85 h ARG 85 Ca 0.62 -0.88 -0.51 0.00 0.10 0.00 0.00 59.98 59.30 1v85 h ARG 85 Cb 2.35 0.31 -0.01 0.00 1.11 0.00 0.00 29.97 33.74 1v85 h ARG 85 CO -0.06 1.41 0.40 -1.12 0.10 0.00 0.00 179.97 180.71 1v85 s SER 86 N -7.51 7.43 0.00 0.08 0.01 0.15 -4.63 113.70 109.22 1v85 s SER 86 Ca -0.09 1.91 0.00 0.00 1.31 0.00 0.00 55.95 59.08 1v85 s SER 86 Cb 0.05 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1v85 s SER 86 CO 0.94 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 175.10 1v85 n GLY 87 N 2.11 0.69 0.23 3.44 0.00 -1.26 -4.84 105.19 105.56 1v85 n GLY 87 Ca 0.02 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 1v85 n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v85 h PRO 88 N 0.00 0.77 -6.32 1.61 0.13 -1.96 -3.44 132.00 122.79 1v85 h PRO 88 Ca 0.00 -0.41 -0.69 0.00 -0.87 0.00 0.00 66.00 64.03 1v85 h PRO 88 Cb 0.00 0.02 -0.23 0.00 0.13 0.00 0.00 31.00 30.92 1v85 h PRO 88 CO 0.00 1.04 -0.76 -1.54 -0.23 0.00 0.00 178.00 176.50 1v85 s SER 89 N -6.63 4.09 -0.04 1.44 1.04 -1.26 -5.10 113.70 107.23 1v85 s SER 89 Ca -0.12 -0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.16 1v85 s SER 89 Cb 0.09 -0.87 -0.03 0.00 0.10 0.00 0.00 66.02 65.32 1v85 s SER 89 CO 0.84 0.34 -0.14 -0.94 0.98 0.00 0.00 173.24 174.33 1v85 s SER 90 N -0.80 4.07 0.00 7.02 1.04 -1.26 -5.22 113.70 118.55 1v85 s SER 90 Ca 0.12 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1v85 s SER 90 Cb -0.11 -0.86 0.00 0.00 0.10 0.00 0.00 66.02 65.15 1v85 s SER 90 CO 0.01 0.34 0.39 0.61 0.98 0.00 0.00 173.24 175.58