#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mn8 s GLN 3 N 0.00 4.69 -0.00 1.61 2.00 -1.26 -4.90 119.66 121.80 1mn8 s GLN 3 Ca 0.00 1.69 0.17 0.00 -2.00 0.00 0.00 55.36 55.22 1mn8 s GLN 3 Cb 0.00 -3.24 -0.19 0.00 0.80 0.00 0.00 33.01 30.38 1mn8 s GLN 3 CO 0.00 0.26 0.67 0.25 -0.50 0.00 0.00 175.29 175.97 1mn8 n THR 4 N 1.58 0.00 -2.25 -0.34 -2.24 -1.26 -4.99 114.28 104.78 1mn8 n THR 4 Ca -0.00 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 1mn8 n THR 4 Cb 0.46 0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 69.54 1mn8 n THR 4 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1mn8 s VAL 5 N -2.67 3.58 -0.19 2.28 1.01 -1.26 -4.99 120.40 118.17 1mn8 s VAL 5 Ca 0.05 1.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.84 1mn8 s VAL 5 Cb 0.12 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 1mn8 s VAL 5 CO 0.69 0.06 1.15 -0.89 0.00 0.00 0.00 175.10 176.12 1mn8 s THR 6 N 1.41 4.47 0.33 3.92 2.01 -1.26 -5.01 115.64 121.51 1mn8 s THR 6 Ca 0.63 1.78 0.09 0.00 0.31 0.00 0.00 61.69 64.50 1mn8 s THR 6 Cb -0.34 -4.15 -0.05 0.00 0.01 0.00 0.00 72.50 67.97 1mn8 s THR 6 CO 0.29 -0.15 -0.00 0.42 -0.69 0.00 0.00 174.62 174.48 1mn8 s THR 7 N 3.33 2.71 0.24 -0.82 -4.23 -1.26 -5.01 115.64 110.60 1mn8 s THR 7 Ca 0.50 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.95 1mn8 s THR 7 Cb -0.19 -2.77 0.22 0.00 1.34 0.00 0.00 72.50 71.11 1mn8 s THR 7 CO 0.11 -0.23 1.87 -0.65 -0.54 0.00 0.00 174.62 175.18 1mn8 h PRO 8 N 1.85 1.04 -0.23 3.99 0.11 -1.80 -0.47 132.00 136.47 1mn8 h PRO 8 Ca -0.43 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1mn8 h PRO 8 Cb 1.25 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1mn8 h PRO 8 CO 0.66 0.69 0.12 1.25 -0.21 0.00 0.00 178.00 180.50 1mn8 h LEU 9 N 1.07 0.30 -1.12 2.35 6.46 -1.41 -0.41 115.31 122.55 1mn8 h LEU 9 Ca 0.36 -0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.99 1mn8 h LEU 9 Cb 0.06 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.88 1mn8 h LEU 9 CO -0.14 0.33 0.38 0.28 -0.62 0.00 0.00 178.44 178.68 1mn8 h SER 10 N 0.25 0.89 -0.44 1.25 0.02 -1.68 -2.18 113.55 111.66 1mn8 h SER 10 Ca 0.08 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.87 1mn8 h SER 10 Cb 0.11 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1mn8 h SER 10 CO -0.01 0.72 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.26 1mn8 h LEU 11 N 1.00 0.81 -1.18 5.07 3.38 -0.78 -1.30 115.31 122.31 1mn8 h LEU 11 Ca 0.25 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1mn8 h LEU 11 Cb 0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1mn8 h LEU 11 CO -0.04 0.96 0.40 0.71 0.09 0.00 0.00 178.44 180.56 1mn8 h THR 12 N 0.65 1.20 -0.35 0.22 1.35 -0.71 -1.02 112.91 114.25 1mn8 h THR 12 Ca 0.12 -0.49 -0.15 0.00 -0.55 0.00 0.00 66.41 65.34 1mn8 h THR 12 Cb 0.59 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 67.24 1mn8 h THR 12 CO 0.04 0.22 -0.36 -0.07 -0.25 0.00 0.00 175.52 175.09 1mn8 h LEU 13 N 0.97 0.87 -1.82 3.87 3.38 -1.23 -2.26 115.31 119.09 1mn8 h LEU 13 Ca 0.25 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1mn8 h LEU 13 Cb 0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1mn8 h LEU 13 CO -0.04 1.14 -0.14 1.23 0.09 0.00 0.00 178.44 180.72 1mn8 h GLY 14 N 0.88 0.00 -2.64 0.83 0.00 -0.74 -3.06 103.07 98.34 1mn8 h GLY 14 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.08 1mn8 h GLY 14 CO 0.09 0.00 -0.70 1.42 0.00 0.00 0.00 176.54 177.35 1mn8 n HIS 15 N -3.71 1.53 -0.29 5.60 8.25 -0.43 -4.87 115.22 121.30 1mn8 n HIS 15 Ca -0.02 -1.89 -0.05 0.00 -0.26 0.00 0.00 57.72 55.50 1mn8 n HIS 15 Cb 0.25 -0.30 0.07 0.00 1.12 0.00 0.00 29.99 31.14 1mn8 n HIS 15 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 1mn8 h TRP 16 N 1.68 1.10 -0.43 4.41 2.91 -1.30 -1.52 115.95 122.80 1mn8 h TRP 16 Ca 0.20 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.18 1mn8 h TRP 16 Cb 1.32 -0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 29.59 1mn8 h TRP 16 CO 0.79 0.76 0.19 0.87 -1.03 0.00 0.00 178.44 180.03 1mn8 h LYS 17 N 1.11 0.59 -0.57 2.65 1.79 -1.89 0.16 116.57 120.41 1mn8 h LYS 17 Ca 0.28 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.66 1mn8 h LYS 17 Cb 0.02 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.53 1mn8 h LYS 17 CO -0.05 0.47 0.25 -0.44 -1.08 0.00 0.00 179.45 178.61 1mn8 h ASP 18 N 0.60 0.77 -0.55 0.86 3.32 -1.68 -2.29 116.42 117.44 1mn8 h ASP 18 Ca 0.15 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1mn8 h ASP 18 Cb 0.08 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1mn8 h ASP 18 CO -0.02 0.71 0.35 0.58 -1.72 0.00 0.00 179.24 179.14 1mn8 h VAL 19 N 0.78 1.10 -0.52 -1.35 2.07 -0.71 -0.52 116.25 117.11 1mn8 h VAL 19 Ca 0.19 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1mn8 h VAL 19 Cb 0.16 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1mn8 h VAL 19 CO -0.02 0.13 0.33 -0.33 0.02 0.00 0.00 177.57 177.70 1mn8 h GLU 20 N 0.71 0.69 -0.31 1.57 5.08 -0.85 0.05 114.58 121.52 1mn8 h GLU 20 Ca 0.21 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1mn8 h GLU 20 Cb -0.04 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1mn8 h GLU 20 CO -0.07 0.47 0.16 -0.09 -1.00 0.00 0.00 179.01 178.49 1mn8 h ARG 21 N 0.70 0.32 -0.66 2.33 1.12 -1.04 0.01 114.38 117.16 1mn8 h ARG 21 Ca 0.19 -0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 59.01 1mn8 h ARG 21 Cb -0.06 -0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 29.80 1mn8 h ARG 21 CO -0.04 0.21 0.31 0.82 -3.11 0.00 0.00 179.97 178.17 1mn8 h ILE 22 N 0.33 1.23 0.04 1.20 2.04 -0.75 -1.59 117.51 120.01 1mn8 h ILE 22 Ca 0.13 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.35 1mn8 h ILE 22 Cb 0.04 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1mn8 h ILE 22 CO -0.08 0.26 -0.08 0.00 0.00 0.00 0.00 178.15 178.25 1mn8 h ALA 23 N 1.14 -0.12 -0.82 1.87 0.00 -0.74 -2.77 119.26 117.83 1mn8 h ALA 23 Ca 0.23 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1mn8 h ALA 23 Cb 0.13 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1mn8 h ALA 23 CO -0.03 -0.59 0.54 0.45 0.00 0.00 0.00 179.25 179.62 1mn8 h HIS 24 N -0.16 0.94 0.00 0.00 3.86 -0.78 0.35 115.15 119.36 1mn8 h HIS 24 Ca 0.02 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1mn8 h HIS 24 Cb 0.18 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 1mn8 h HIS 24 CO -0.13 0.52 -0.05 -0.97 0.86 0.00 0.00 177.93 178.16 1mn8 h ASN 25 N 0.95 0.00 -0.53 2.45 -1.24 -1.05 -0.90 115.58 115.26 1mn8 h ASN 25 Ca 0.34 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.35 1mn8 h ASN 25 Cb 0.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.19 1mn8 h ASN 25 CO -0.11 0.05 0.00 0.00 -1.29 0.00 0.00 177.43 176.07 1mn8 n GLN 26 N -3.22 2.44 -2.86 6.67 1.13 0.05 -4.94 117.38 116.65 1mn8 n GLN 26 Ca -0.01 -1.99 -0.18 0.00 -1.94 0.00 0.00 57.00 52.88 1mn8 n GLN 26 Cb 0.25 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.14 1mn8 n GLN 26 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1mn8 n SER 27 N 1.01 -5.32 -4.15 1.08 7.64 -0.34 -5.01 113.62 108.54 1mn8 n SER 27 Ca 0.18 -0.23 -0.23 0.00 1.01 0.00 0.00 58.87 59.61 1mn8 n SER 27 Cb 0.51 -4.17 -0.09 0.00 -1.01 0.00 0.00 64.21 59.46 1mn8 n SER 27 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1mn8 s VAL 28 N -3.06 0.63 -0.04 0.44 -7.23 -0.80 -5.01 120.40 105.34 1mn8 s VAL 28 Ca 0.24 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.37 1mn8 s VAL 28 Cb -0.11 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.36 1mn8 s VAL 28 CO 0.30 0.00 0.12 -0.62 -0.31 0.00 0.00 175.10 174.58 1mn8 s ASP 29 N -3.51 -0.12 0.08 4.85 2.15 -1.26 -2.75 116.67 116.10 1mn8 s ASP 29 Ca 0.30 0.23 0.05 0.00 0.43 0.00 0.00 52.55 53.56 1mn8 s ASP 29 Cb 0.05 0.23 -0.03 0.00 -0.30 0.00 0.00 42.92 42.87 1mn8 s ASP 29 CO 0.16 -0.04 -0.14 0.68 -0.17 0.00 0.00 175.17 175.65 1mn8 s VAL 30 N 0.08 1.11 0.07 1.11 -7.23 -1.26 -4.82 120.40 109.47 1mn8 s VAL 30 Ca -0.00 -1.34 0.09 0.00 -1.81 0.00 0.00 61.98 58.92 1mn8 s VAL 30 Cb -0.01 -1.11 -0.03 0.00 0.56 0.00 0.00 36.38 35.79 1mn8 s VAL 30 CO 0.00 -0.25 -0.24 -0.54 -0.31 0.00 0.00 175.10 173.76 1mn8 s LYS 31 N -1.83 1.77 0.09 4.82 -0.14 -1.26 -4.96 119.74 118.22 1mn8 s LYS 31 Ca -0.01 -1.14 -0.23 0.00 -1.36 0.00 0.00 55.97 53.23 1mn8 s LYS 31 Cb -0.09 -2.02 -0.15 0.00 -1.68 0.00 0.00 37.83 33.89 1mn8 s LYS 31 CO 0.02 0.50 1.74 0.87 -0.76 0.00 0.00 175.35 177.72 1mn8 h LYS 32 N 4.44 0.00 -0.49 1.68 1.57 -2.01 -0.98 116.57 120.78 1mn8 h LYS 32 Ca -0.48 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.17 1mn8 h LYS 32 Cb 1.15 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1mn8 h LYS 32 CO 0.44 0.00 -0.19 0.00 -0.57 0.00 0.00 179.45 179.13 1mn8 h ARG 33 N 0.00 0.99 -0.69 3.15 2.47 -1.99 -1.78 114.38 116.52 1mn8 h ARG 33 Ca 0.00 -0.40 -0.04 0.00 -1.26 0.00 0.00 59.98 58.27 1mn8 h ARG 33 Cb 0.00 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.25 1mn8 h ARG 33 CO -0.00 1.08 0.26 -0.09 0.56 0.00 0.00 179.97 181.77 1mn8 h ARG 34 N 0.86 1.05 -0.34 0.04 9.65 -1.98 -0.47 114.38 123.19 1mn8 h ARG 34 Ca 0.12 -0.20 0.06 0.00 -1.10 0.00 0.00 59.98 58.86 1mn8 h ARG 34 Cb 0.76 -0.16 -0.06 0.00 -1.39 0.00 0.00 29.97 29.11 1mn8 h ARG 34 CO 0.06 0.88 -0.03 2.35 2.80 0.00 0.00 179.97 186.03 1mn8 h TRP 35 N 1.00 -0.08 -0.39 2.20 2.91 -0.87 0.03 115.95 120.74 1mn8 h TRP 35 Ca 0.23 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.25 1mn8 h TRP 35 Cb 0.24 0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 28.96 1mn8 h TRP 35 CO 0.02 -0.09 0.14 0.28 -1.03 0.00 0.00 178.44 177.76 1mn8 h VAL 36 N 0.06 1.20 -0.29 2.65 2.07 -1.05 -1.75 116.25 119.15 1mn8 h VAL 36 Ca 0.17 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1mn8 h VAL 36 Cb 0.24 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1mn8 h VAL 36 CO -0.31 0.23 0.13 0.74 0.02 0.00 0.00 177.57 178.38 1mn8 h THR 37 N 0.49 1.16 -0.65 2.57 2.02 -0.68 -0.21 112.91 117.61 1mn8 h THR 37 Ca 0.13 -0.47 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1mn8 h THR 37 Cb 0.22 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1mn8 h THR 37 CO -0.01 0.17 0.30 -0.26 0.37 0.00 0.00 175.52 176.08 1mn8 h PHE 38 N 0.33 0.95 -0.39 3.16 0.05 -0.99 0.40 116.94 120.44 1mn8 h PHE 38 Ca 0.10 -0.05 -0.05 0.00 3.82 0.00 0.00 57.97 61.78 1mn8 h PHE 38 Cb 0.14 -0.29 -0.01 0.00 2.00 0.00 0.00 35.95 37.79 1mn8 h PHE 38 CO -0.01 0.72 0.03 0.00 -0.18 0.00 0.00 178.31 178.87 1mn8 n SER 40 N -4.49 0.38 -0.02 0.00 3.41 -0.11 -4.38 113.62 108.41 1mn8 n SER 40 Ca -0.01 0.17 -0.04 0.00 -0.26 0.00 0.00 58.87 58.73 1mn8 n SER 40 Cb 0.26 0.85 -0.02 0.00 -0.26 0.00 0.00 64.21 65.04 1mn8 n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mn8 n ALA 41 N -2.48 2.28 -0.06 7.33 0.00 0.07 -4.78 120.51 122.87 1mn8 n ALA 41 Ca -0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 53.44 53.03 1mn8 n ALA 41 Cb 0.88 0.41 -0.03 0.00 0.00 0.00 0.00 19.45 20.72 1mn8 n ALA 41 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1mn8 h GLU 42 N -0.09 0.00 -0.37 0.00 4.57 -1.30 -3.38 114.58 114.02 1mn8 h GLU 42 Ca -0.12 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.03 1mn8 h GLU 42 Cb 1.14 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 1mn8 h GLU 42 CO -0.05 0.17 0.09 -1.49 -1.18 0.00 0.00 179.01 176.55 1mn8 h TRP 43 N -1.00 0.54 -0.53 0.92 6.55 -1.21 -0.23 115.95 121.00 1mn8 h TRP 43 Ca -0.03 -0.03 0.15 0.00 0.95 0.00 0.00 58.89 59.93 1mn8 h TRP 43 Cb 0.38 -0.17 -0.02 0.00 -0.86 0.00 0.00 29.16 28.49 1mn8 h TRP 43 CO -0.04 0.48 0.39 -1.35 -1.05 0.00 0.00 178.44 176.86 1mn8 h PRO 44 N 0.53 0.00 0.00 0.49 0.11 -1.76 -1.68 132.00 129.69 1mn8 h PRO 44 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1mn8 h PRO 44 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1mn8 h PRO 44 CO -0.00 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.04 1mn8 n THR 45 N -4.34 0.09 1.22 -1.15 -2.24 -0.10 -3.39 114.28 104.37 1mn8 n THR 45 Ca 0.10 0.02 0.13 0.00 -2.27 0.00 0.00 64.05 62.03 1mn8 n THR 45 Cb 0.61 -0.58 0.65 0.00 -2.10 0.00 0.00 70.33 68.91 1mn8 n THR 45 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1mn8 n PHE 46 N -1.19 0.00 -3.78 4.78 0.99 -0.63 -4.90 117.46 112.72 1mn8 n PHE 46 Ca 0.15 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 57.33 1mn8 n PHE 46 Cb 0.18 -0.30 0.05 0.00 -1.00 0.00 0.00 39.48 38.40 1mn8 n PHE 46 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1mn8 n ASN 47 N -1.30 -4.93 -0.03 4.37 5.15 -1.22 -4.88 115.26 112.42 1mn8 n ASN 47 Ca 0.12 -0.70 0.03 0.00 -0.60 0.00 0.00 54.58 53.42 1mn8 n ASN 47 Cb 0.21 -4.30 0.04 0.00 -0.53 0.00 0.00 39.78 35.20 1mn8 n ASN 47 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1mn8 n VAL 48 N -4.74 1.23 -0.77 3.44 0.24 -1.26 -5.00 118.33 111.46 1mn8 n VAL 48 Ca -0.01 -1.33 0.00 0.00 -2.04 0.00 0.00 64.34 60.97 1mn8 n VAL 48 Cb 0.55 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 1mn8 n VAL 48 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mn8 n GLY 49 N -0.73 0.60 3.68 7.63 0.00 -1.26 -4.97 105.19 110.14 1mn8 n GLY 49 Ca 0.04 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1mn8 n GLY 49 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1mn8 s TRP 50 N -2.00 1.88 0.39 1.61 -0.11 -1.26 -4.96 118.94 114.50 1mn8 s TRP 50 Ca 0.00 -0.11 -0.24 0.00 1.22 0.00 0.00 56.10 56.97 1mn8 s TRP 50 Cb 0.00 -4.16 -0.09 0.00 -1.50 0.00 0.00 33.47 27.72 1mn8 s TRP 50 CO 0.00 -4.90 1.04 -2.14 -4.62 0.00 0.00 176.95 166.33 1mn8 s PRO 51 N 3.38 4.19 0.55 5.86 0.02 -1.26 -4.18 135.00 143.56 1mn8 s PRO 51 Ca 0.82 1.50 0.28 0.00 0.02 0.00 0.00 61.00 63.62 1mn8 s PRO 51 Cb -0.43 -2.56 1.63 0.00 0.02 0.00 0.00 34.50 33.16 1mn8 s PRO 51 CO 0.37 -0.11 2.17 0.00 -0.33 0.00 0.00 177.00 179.09 1mn8 h ARG 52 N 2.54 0.00 -0.53 5.54 3.08 -1.87 0.29 114.38 123.43 1mn8 h ARG 52 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1mn8 h ARG 52 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1mn8 h ARG 52 CO 0.62 0.06 0.00 -0.40 -1.07 0.00 0.00 179.97 179.18 1mn8 n ASP 53 N -3.79 2.86 -0.06 7.04 3.85 -1.26 -3.78 116.55 121.40 1mn8 n ASP 53 Ca -0.02 -2.08 0.01 0.00 -0.71 0.00 0.00 54.79 51.98 1mn8 n ASP 53 Cb 0.15 -0.37 -0.00 0.00 -1.35 0.00 0.00 41.12 39.55 1mn8 n ASP 53 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1mn8 n GLY 54 N 1.18 -1.61 3.46 6.12 0.00 0.09 -1.08 105.19 113.34 1mn8 n GLY 54 Ca 0.17 -1.51 -0.15 0.00 0.00 0.00 0.00 46.02 44.53 1mn8 n GLY 54 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1mn8 s THR 55 N -1.52 0.01 -0.69 2.61 -1.32 -1.26 -4.61 115.64 108.86 1mn8 s THR 55 Ca 0.00 -0.06 0.14 0.00 -1.21 0.00 0.00 61.69 60.55 1mn8 s THR 55 Cb 0.00 -0.99 0.43 0.00 -1.51 0.00 0.00 72.50 70.43 1mn8 s THR 55 CO 0.00 -0.04 1.36 0.49 -2.21 0.00 0.00 174.62 174.22 1mn8 n PHE 56 N 0.45 0.74 -2.43 9.09 3.72 -1.26 -4.93 117.46 122.84 1mn8 n PHE 56 Ca -0.18 -0.65 -0.42 0.00 -0.05 0.00 0.00 57.45 56.15 1mn8 n PHE 56 Cb 0.60 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.96 1mn8 n PHE 56 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1mn8 s ASN 57 N -1.32 7.01 0.28 4.37 3.84 -1.26 -4.68 114.94 123.18 1mn8 s ASN 57 Ca 0.33 1.82 -0.02 0.00 0.21 0.00 0.00 52.86 55.20 1mn8 s ASN 57 Cb 0.22 -2.55 0.39 0.00 -0.55 0.00 0.00 41.25 38.76 1mn8 s ASN 57 CO 0.14 -0.63 1.89 0.03 -2.79 0.00 0.00 177.10 175.75 1mn8 h ARG 58 N 7.63 1.00 -0.37 0.43 3.08 -1.94 -1.61 114.38 122.60 1mn8 h ARG 58 Ca -0.33 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.50 1mn8 h ARG 58 Cb 1.15 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 1mn8 h ARG 58 CO 0.90 0.76 -0.12 -0.44 -1.07 0.00 0.00 179.97 180.00 1mn8 h ASP 59 N 1.00 0.74 -0.41 7.04 3.32 -1.99 -0.43 116.42 125.69 1mn8 h ASP 59 Ca 0.25 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 1mn8 h ASP 59 Cb 0.08 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1mn8 h ASP 59 CO -0.03 0.95 0.04 -0.07 -1.72 0.00 0.00 179.24 178.41 1mn8 h LEU 60 N 0.52 0.67 -0.78 1.55 3.38 -1.89 -2.19 115.31 116.56 1mn8 h LEU 60 Ca 0.09 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.84 1mn8 h LEU 60 Cb 0.64 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1mn8 h LEU 60 CO 0.04 0.78 0.47 0.40 0.09 0.00 0.00 178.44 180.21 1mn8 h ILE 61 N 0.53 1.01 -0.80 1.22 1.08 -1.17 -2.24 117.51 117.14 1mn8 h ILE 61 Ca 0.12 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1mn8 h ILE 61 Cb 0.41 0.08 -0.04 0.00 -3.07 0.00 0.00 36.82 34.20 1mn8 h ILE 61 CO 0.01 0.16 0.51 0.74 -0.69 0.00 0.00 178.15 178.88 1mn8 h THR 62 N 0.85 1.22 -0.50 -0.27 2.02 -0.85 0.07 112.91 115.44 1mn8 h THR 62 Ca 0.34 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 67.01 1mn8 h THR 62 Cb 0.18 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 1mn8 h THR 62 CO -0.18 0.22 -0.04 1.56 0.37 0.00 0.00 175.52 177.45 1mn8 h GLN 63 N 1.09 0.87 -0.55 6.66 1.08 -0.83 0.26 115.11 123.69 1mn8 h GLN 63 Ca 0.29 -0.26 -0.08 0.00 -1.45 0.00 0.00 58.65 57.15 1mn8 h GLN 63 Cb -0.09 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.24 1mn8 h GLN 63 CO -0.06 0.89 0.05 0.28 -0.95 0.00 0.00 178.83 179.04 1mn8 h VAL 64 N 0.80 1.26 -0.91 -0.54 2.07 -1.11 -2.92 116.25 114.89 1mn8 h VAL 64 Ca 0.14 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.66 1mn8 h VAL 64 Cb 0.53 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1mn8 h VAL 64 CO 0.03 0.37 0.59 0.50 0.02 0.00 0.00 177.57 179.09 1mn8 h LYS 65 N 0.82 1.13 -0.62 1.57 3.64 -0.36 -0.40 116.57 122.35 1mn8 h LYS 65 Ca 0.16 -0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.54 1mn8 h LYS 65 Cb 0.47 -0.26 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 1mn8 h LYS 65 CO 0.02 0.75 0.31 0.82 -2.27 0.00 0.00 179.45 179.08 1mn8 h ILE 66 N 1.17 0.91 0.05 2.00 2.04 -0.86 0.58 117.51 123.40 1mn8 h ILE 66 Ca 0.36 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 1mn8 h ILE 66 Cb -0.03 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1mn8 h ILE 66 CO -0.11 0.10 -0.02 0.11 0.00 0.00 0.00 178.15 178.23 1mn8 h LYS 67 N 0.57 -0.06 -0.82 2.37 1.79 -1.14 -2.58 116.57 116.68 1mn8 h LYS 67 Ca 0.29 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1mn8 h LYS 67 Cb 0.24 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.86 1mn8 h LYS 67 CO -0.21 0.03 0.50 0.28 -1.08 0.00 0.00 179.45 178.97 1mn8 h VAL 68 N -0.14 1.23 -0.18 0.50 2.07 -0.60 -2.56 116.25 116.57 1mn8 h VAL 68 Ca -0.01 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1mn8 h VAL 68 Cb 0.12 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1mn8 h VAL 68 CO 0.01 0.24 0.00 0.49 0.02 0.00 0.00 177.57 178.33 1mn8 n PHE 69 N -4.45 0.22 -1.72 1.57 3.01 0.15 -0.90 117.46 115.34 1mn8 n PHE 69 Ca 0.08 -0.11 -0.41 0.00 1.01 0.00 0.00 57.45 58.02 1mn8 n PHE 69 Cb 0.06 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.54 1mn8 n PHE 69 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1mn8 n SER 70 N 0.44 2.87 -4.78 4.37 2.88 -0.96 -4.95 113.62 113.48 1mn8 n SER 70 Ca 0.16 1.13 -0.33 0.00 -1.33 0.00 0.00 58.87 58.51 1mn8 n SER 70 Cb 0.36 -1.53 0.04 0.00 -0.75 0.00 0.00 64.21 62.32 1mn8 n SER 70 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1mn8 s PRO 71 N -2.21 2.97 1.84 -1.46 0.04 -1.26 -3.10 135.00 131.83 1mn8 s PRO 71 Ca 0.60 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1mn8 s PRO 71 Cb -0.50 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1mn8 s PRO 71 CO 0.59 -1.10 0.00 0.41 0.04 0.00 0.00 177.00 176.94 1mn8 n GLY 72 N -0.74 -1.56 0.00 0.56 0.00 -1.26 -3.95 105.19 98.24 1mn8 n GLY 72 Ca 0.10 -1.32 0.08 0.00 0.00 0.00 0.00 46.02 44.88 1mn8 n GLY 72 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mn8 n PRO 73 N -0.01 0.10 0.02 1.61 -0.04 -1.26 -2.21 135.00 133.21 1mn8 n PRO 73 Ca 0.00 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 1mn8 n PRO 73 Cb 0.00 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.06 1mn8 n PRO 73 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1mn8 n HIS 74 N -1.41 0.19 -1.74 0.54 8.25 -1.25 -4.94 115.22 114.86 1mn8 n HIS 74 Ca 0.06 0.06 -0.29 0.00 -0.26 0.00 0.00 57.72 57.28 1mn8 n HIS 74 Cb 0.17 -0.36 0.14 0.00 1.12 0.00 0.00 29.99 31.05 1mn8 n HIS 74 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1mn8 s GLY 75 N -3.38 1.63 -0.43 -1.41 0.00 -0.94 -4.76 107.32 98.02 1mn8 s GLY 75 Ca 0.07 -0.76 0.05 0.00 0.00 0.00 0.00 44.72 44.08 1mn8 s GLY 75 CO 0.77 -0.16 0.41 1.42 0.00 0.00 0.00 173.10 175.54 1mn8 n HIS 76 N -3.66 -0.33 0.12 1.90 8.25 -0.08 -4.97 115.22 116.46 1mn8 n HIS 76 Ca 0.10 -3.47 0.13 0.00 -0.26 0.00 0.00 57.72 54.21 1mn8 n HIS 76 Cb 0.60 0.01 0.64 0.00 1.12 0.00 0.00 29.99 32.36 1mn8 n HIS 76 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1mn8 h PRO 77 N 5.12 0.04 0.00 -0.41 0.11 -1.95 -0.14 132.00 134.77 1mn8 h PRO 77 Ca 0.20 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 1mn8 h PRO 77 Cb 0.88 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1mn8 h PRO 77 CO 0.44 0.03 -0.04 0.38 -0.21 0.00 0.00 178.00 178.59 1mn8 h ASP 78 N 0.05 0.00 0.32 -2.05 2.03 -1.94 -2.40 116.42 112.43 1mn8 h ASP 78 Ca 0.13 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 1mn8 h ASP 78 Cb 0.46 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.96 1mn8 h ASP 78 CO -0.01 0.04 -0.40 0.00 -1.03 0.00 0.00 179.24 177.84 1mn8 n GLN 79 N -3.21 0.48 0.05 4.15 6.02 -0.07 -4.44 117.38 120.36 1mn8 n GLN 79 Ca -0.01 -0.29 -0.11 0.00 -0.01 0.00 0.00 57.00 56.58 1mn8 n GLN 79 Cb 0.25 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.98 1mn8 n GLN 79 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1mn8 h VAL 80 N 0.71 0.59 -0.57 5.09 2.07 -1.42 -1.80 116.25 120.92 1mn8 h VAL 80 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1mn8 h VAL 80 Cb 0.51 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1mn8 h VAL 80 CO 0.00 0.00 0.38 -0.65 0.02 0.00 0.00 177.57 177.32 1mn8 h PRO 81 N -0.27 0.58 0.10 1.57 0.11 -1.79 -1.43 132.00 130.87 1mn8 h PRO 81 Ca 0.06 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 1mn8 h PRO 81 Cb 0.35 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1mn8 h PRO 81 CO -0.17 0.39 -0.05 1.88 -0.21 0.00 0.00 178.00 179.84 1mn8 h TYR 82 N 0.60 -0.12 -0.05 0.65 0.05 -1.68 -2.39 116.97 114.03 1mn8 h TYR 82 Ca 0.24 -0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.90 1mn8 h TYR 82 Cb 0.18 0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 1mn8 h TYR 82 CO -0.00 0.35 -0.47 0.97 -1.05 0.00 0.00 178.16 177.96 1mn8 h ILE 83 N -0.66 1.34 -0.78 -2.88 6.09 -1.17 -1.84 117.51 117.61 1mn8 h ILE 83 Ca -0.01 -1.65 0.00 0.00 -1.37 0.00 0.00 64.86 61.83 1mn8 h ILE 83 Cb 0.52 1.83 -0.04 0.00 0.47 0.00 0.00 36.82 39.61 1mn8 h ILE 83 CO 0.02 0.48 0.50 0.58 -3.07 0.00 0.00 178.15 176.66 1mn8 h VAL 84 N 0.10 1.21 -0.08 2.19 2.07 -1.30 -0.44 116.25 120.00 1mn8 h VAL 84 Ca 0.00 -0.40 -0.13 0.00 0.82 0.00 0.00 66.70 66.99 1mn8 h VAL 84 Cb 0.87 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1mn8 h VAL 84 CO 0.07 0.20 -0.46 0.00 0.02 0.00 0.00 177.57 177.40 1mn8 h THR 85 N 1.06 1.39 -0.55 2.57 1.03 -0.83 -1.05 112.91 116.53 1mn8 h THR 85 Ca 0.28 -1.83 0.07 0.00 -0.01 0.00 0.00 66.41 64.93 1mn8 h THR 85 Cb -0.10 2.27 -0.06 0.00 -1.07 0.00 0.00 68.15 69.19 1mn8 h THR 85 CO -0.06 0.54 0.22 -0.50 -0.01 0.00 0.00 175.52 175.72 1mn8 h TRP 86 N 0.02 0.40 -0.68 0.00 4.06 -1.22 -1.39 115.95 117.15 1mn8 h TRP 86 Ca -0.03 0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.96 1mn8 h TRP 86 Cb 1.12 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 29.14 1mn8 h TRP 86 CO 0.12 0.14 0.43 1.49 -3.56 0.00 0.00 178.44 177.06 1mn8 h GLU 87 N 0.42 0.83 -0.74 0.49 4.81 -0.97 -1.73 114.58 117.70 1mn8 h GLU 87 Ca 0.27 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1mn8 h GLU 87 Cb 0.28 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1mn8 h GLU 87 CO -0.25 0.55 0.40 0.00 -0.73 0.00 0.00 179.01 178.98 1mn8 h ALA 88 N 1.28 0.95 -0.56 2.92 0.00 -0.67 -1.07 119.26 122.10 1mn8 h ALA 88 Ca 0.26 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1mn8 h ALA 88 Cb -0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1mn8 h ALA 88 CO -0.09 0.47 0.35 -0.07 0.00 0.00 0.00 179.25 179.90 1mn8 h LEU 89 N 1.02 0.57 -0.78 0.00 3.38 -0.81 -1.85 115.31 116.84 1mn8 h LEU 89 Ca 0.26 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.12 1mn8 h LEU 89 Cb 0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1mn8 h LEU 89 CO -0.04 0.40 -0.27 0.00 0.09 0.00 0.00 178.44 178.63 1mn8 h ALA 90 N 1.24 0.96 -0.02 1.53 0.00 -0.81 -2.88 119.26 119.27 1mn8 h ALA 90 Ca 0.22 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 1mn8 h ALA 90 Cb -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1mn8 h ALA 90 CO -0.08 0.61 -0.83 0.74 0.00 0.00 0.00 179.25 179.68 1mn8 h PHE 91 N 0.54 0.41 -2.58 0.00 -1.00 -0.99 -3.39 116.94 109.93 1mn8 h PHE 91 Ca 0.07 -0.21 -0.59 0.00 2.81 0.00 0.00 57.97 60.05 1mn8 h PHE 91 Cb 0.74 -0.05 -0.39 0.00 3.61 0.00 0.00 35.95 39.86 1mn8 h PHE 91 CO 0.03 0.99 -0.87 0.34 -1.61 0.00 0.00 178.31 177.20 1mn8 s ASP 92 N -6.97 2.46 0.12 2.17 2.15 -0.72 -5.10 116.67 110.79 1mn8 s ASP 92 Ca -0.04 -2.92 -0.31 0.00 0.43 0.00 0.00 52.55 49.71 1mn8 s ASP 92 Cb 0.10 -0.65 -0.08 0.00 -0.30 0.00 0.00 42.92 41.99 1mn8 s ASP 92 CO 0.83 -0.20 1.43 -2.16 -0.17 0.00 0.00 175.17 174.90 1mn8 s PRO 93 N 0.13 4.30 1.16 4.34 0.04 -1.09 -4.67 135.00 139.21 1mn8 s PRO 93 Ca 0.27 2.13 -0.16 0.00 0.04 0.00 0.00 61.00 63.28 1mn8 s PRO 93 Cb -0.07 -3.25 0.27 0.00 0.04 0.00 0.00 34.50 31.50 1mn8 s PRO 93 CO -0.12 -0.48 1.06 -1.25 0.04 0.00 0.00 177.00 176.25 1mn8 s PRO 94 N 1.18 -0.91 0.53 0.56 0.04 -1.26 -4.88 135.00 130.27 1mn8 s PRO 94 Ca 0.66 0.30 0.19 0.00 0.04 0.00 0.00 61.00 62.19 1mn8 s PRO 94 Cb -0.38 -1.60 1.38 0.00 0.04 0.00 0.00 34.50 33.94 1mn8 s PRO 94 CO 0.30 -3.58 2.15 -1.35 0.04 0.00 0.00 177.00 174.56 1mn8 h PRO 95 N -2.50 0.00 -0.01 0.56 0.11 -1.95 -2.02 132.00 126.20 1mn8 h PRO 95 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1mn8 h PRO 95 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1mn8 h PRO 95 CO 0.44 0.00 -0.10 -2.67 -0.21 0.00 0.00 178.00 175.47 1mn8 n TRP 96 N -4.39 0.00 -3.71 0.65 4.27 -1.26 -4.58 117.44 108.42 1mn8 n TRP 96 Ca -0.02 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.21 1mn8 n TRP 96 Cb 0.15 -0.13 -0.12 0.00 -1.36 0.00 0.00 31.31 29.85 1mn8 n TRP 96 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1mn8 s VAL 97 N -2.35 4.13 -1.02 -1.67 0.11 -0.76 -5.07 120.40 113.77 1mn8 s VAL 97 Ca 0.32 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 1mn8 s VAL 97 Cb 0.20 -3.23 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 1mn8 s VAL 97 CO 0.45 -0.08 0.25 0.29 -3.33 0.00 0.00 175.10 172.68