#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x67 n SER 2 N 0.00 -0.25 0.14 1.61 3.41 -1.26 -4.85 113.62 112.42 1x67 n SER 2 Ca 0.00 0.73 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 1x67 n SER 2 Cb 0.00 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 62.66 1x67 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x67 n SER 3 N -0.35 -2.46 -1.51 4.04 7.64 -1.26 -5.13 113.62 114.58 1x67 n SER 3 Ca 0.12 0.66 -0.00 0.00 1.01 0.00 0.00 58.87 60.67 1x67 n SER 3 Cb 0.48 2.47 -0.00 0.00 -1.01 0.00 0.00 64.21 66.15 1x67 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x67 n GLY 4 N -1.36 -2.89 1.83 0.23 0.00 -1.26 -5.08 105.19 96.67 1x67 n GLY 4 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1x67 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x67 n SER 5 N 0.01 0.02 -4.74 1.61 3.41 -1.26 -5.12 113.62 107.55 1x67 n SER 5 Ca -0.00 0.26 -0.23 0.00 -0.26 0.00 0.00 58.87 58.63 1x67 n SER 5 Cb 0.00 0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 64.07 1x67 n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x67 s SER 6 N -5.10 5.10 0.00 4.04 1.04 -1.26 -4.64 113.70 112.89 1x67 s SER 6 Ca 0.00 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1x67 s SER 6 Cb 0.00 -1.17 0.00 0.00 0.10 0.00 0.00 66.02 64.95 1x67 s SER 6 CO 0.00 0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.83 1x67 n GLY 7 N -0.88 4.07 1.82 7.32 0.00 -1.26 -4.88 105.19 111.39 1x67 n GLY 7 Ca -0.08 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1x67 n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x67 n MET 8 N 0.00 0.53 -4.65 1.61 1.56 -1.26 -5.12 117.12 109.79 1x67 n MET 8 Ca 0.00 -2.06 -0.32 0.00 -0.27 0.00 0.00 57.70 55.05 1x67 n MET 8 Cb 0.00 -0.22 -0.07 0.00 2.15 0.00 0.00 33.22 35.08 1x67 n MET 8 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1x67 s ALA 9 N -0.85 4.17 0.51 -5.12 0.00 -1.26 -4.88 121.76 114.33 1x67 s ALA 9 Ca 0.23 -0.47 -0.21 0.00 0.00 0.00 0.00 51.96 51.51 1x67 s ALA 9 Cb 0.30 -0.08 -0.08 0.00 0.00 0.00 0.00 23.12 23.26 1x67 s ALA 9 CO -0.10 -0.08 0.93 0.00 0.00 0.00 0.00 175.76 176.51 1x67 n ALA 10 N -1.33 0.01 -0.04 0.00 0.00 -1.26 -4.85 120.51 113.04 1x67 n ALA 10 Ca -0.17 0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 1x67 n ALA 10 Cb 0.67 -2.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.03 1x67 n ALA 10 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1x67 n ASN 11 N 0.03 1.56 -2.06 0.00 5.15 -1.26 -4.99 115.26 113.68 1x67 n ASN 11 Ca 0.11 0.25 -0.18 0.00 -0.60 0.00 0.00 54.58 54.16 1x67 n ASN 11 Cb 0.43 -0.57 -0.04 0.00 -0.53 0.00 0.00 39.78 39.08 1x67 n ASN 11 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1x67 n LEU 12 N -4.03 -1.52 -0.10 1.20 4.32 -1.26 -4.84 117.00 110.76 1x67 n LEU 12 Ca -0.11 0.21 -0.24 0.00 -0.02 0.00 0.00 56.01 55.85 1x67 n LEU 12 Cb 0.36 -2.61 -0.12 0.00 -1.62 0.00 0.00 43.42 39.43 1x67 n LEU 12 CO 0.11 -0.48 -1.08 -1.20 -1.22 0.00 0.00 177.39 173.52 1x67 n SER 13 N -1.59 1.97 0.10 -1.43 7.64 -1.26 -3.28 113.62 115.78 1x67 n SER 13 Ca -0.20 0.23 -0.13 0.00 1.01 0.00 0.00 58.87 59.78 1x67 n SER 13 Cb 0.63 -0.77 -0.06 0.00 -1.01 0.00 0.00 64.21 63.00 1x67 n SER 13 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1x67 h ARG 14 N -0.58 -0.45 -0.95 1.43 3.08 -1.91 -2.66 114.38 112.34 1x67 h ARG 14 Ca -0.54 0.03 -0.65 0.00 0.07 0.00 0.00 59.98 58.89 1x67 h ARG 14 Cb 1.68 0.10 -0.32 0.00 0.08 0.00 0.00 29.97 31.51 1x67 h ARG 14 CO -0.20 -0.30 0.52 0.09 -1.07 0.00 0.00 179.97 179.01 1x67 n ASN 15 N -5.39 7.12 0.04 7.04 3.02 -1.26 -4.79 115.26 121.04 1x67 n ASN 15 Ca -0.06 -3.78 -0.04 0.00 -0.03 0.00 0.00 54.58 50.67 1x67 n ASN 15 Cb 0.30 -0.85 -0.02 0.00 -0.61 0.00 0.00 39.78 38.60 1x67 n ASN 15 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1x67 h GLY 16 N 2.03 -1.10 -0.02 7.41 0.00 -1.46 0.95 103.07 110.88 1x67 h GLY 16 Ca 0.56 0.50 0.15 0.00 0.00 0.00 0.00 47.33 48.54 1x67 h GLY 16 CO 1.42 -0.38 0.17 -2.55 0.00 0.00 0.00 176.54 175.20 1x67 h PRO 17 N -0.20 0.26 0.70 4.80 0.11 -1.86 0.21 132.00 136.02 1x67 h PRO 17 Ca -0.01 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1x67 h PRO 17 Cb 0.19 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 1x67 h PRO 17 CO -0.05 0.18 -0.41 0.00 -0.21 0.00 0.00 178.00 177.50 1x67 h ALA 18 N 1.58 -1.06 0.13 -0.75 0.00 -1.88 0.10 119.26 117.39 1x67 h ALA 18 Ca 0.40 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1x67 h ALA 18 Cb 0.66 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1x67 h ALA 18 CO -0.49 -1.11 -0.18 -0.07 0.00 0.00 0.00 179.25 177.40 1x67 h LEU 19 N -1.03 -0.50 -0.66 0.00 3.38 -0.32 -2.50 115.31 113.68 1x67 h LEU 19 Ca -0.09 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.05 1x67 h LEU 19 Cb 0.82 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 1x67 h LEU 19 CO 0.10 -0.26 0.23 -0.61 0.09 0.00 0.00 178.44 177.99 1x67 h GLN 20 N -0.37 0.38 -0.18 1.13 4.15 -0.56 -1.75 115.11 117.92 1x67 h GLN 20 Ca 0.02 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.47 1x67 h GLN 20 Cb 0.37 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.91 1x67 h GLN 20 CO -0.08 0.25 -0.26 1.49 -1.93 0.00 0.00 178.83 178.30 1x67 h GLU 21 N 0.39 -0.29 -0.47 1.69 4.81 -0.37 0.26 114.58 120.60 1x67 h GLU 21 Ca 0.35 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.65 1x67 h GLU 21 Cb 0.49 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.88 1x67 h GLU 21 CO -0.36 -0.19 0.19 0.00 -0.73 0.00 0.00 179.01 177.91 1x67 h ALA 22 N 0.66 0.58 -0.86 2.92 0.00 -0.98 -0.52 119.26 121.06 1x67 h ALA 22 Ca 0.11 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1x67 h ALA 22 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1x67 h ALA 22 CO -0.35 -0.19 0.47 -0.92 0.00 0.00 0.00 179.25 178.26 1x67 h TYR 23 N 0.38 1.19 -0.12 0.00 3.20 -0.58 -0.94 116.97 120.10 1x67 h TYR 23 Ca 0.22 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 1x67 h TYR 23 Cb 0.19 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 1x67 h TYR 23 CO -0.14 0.83 -0.25 0.28 -1.64 0.00 0.00 178.16 177.24 1x67 h VAL 24 N 1.21 1.23 -0.02 1.81 2.07 0.22 -2.63 116.25 120.13 1x67 h VAL 24 Ca 0.30 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 1x67 h VAL 24 Cb 0.04 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1x67 h VAL 24 CO -0.05 0.32 -0.13 0.03 0.02 0.00 0.00 177.57 177.76 1x67 h ARG 25 N 0.19 0.13 -0.29 1.57 3.08 -0.46 -0.01 114.38 118.60 1x67 h ARG 25 Ca 0.03 -0.11 0.08 0.00 0.07 0.00 0.00 59.98 60.05 1x67 h ARG 25 Cb 0.55 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1x67 h ARG 25 CO 0.04 0.78 0.22 0.28 -1.07 0.00 0.00 179.97 180.22 1x67 h VAL 26 N -0.48 0.79 0.00 2.04 2.07 -1.12 -0.45 116.25 119.10 1x67 h VAL 26 Ca -0.01 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 1x67 h VAL 26 Cb 0.81 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1x67 h VAL 26 CO 0.03 0.00 -1.37 1.33 0.02 0.00 0.00 177.57 177.58 1x67 n VAL 27 N -4.35 0.81 -3.44 2.57 0.24 -1.00 -4.69 118.33 108.48 1x67 n VAL 27 Ca 0.04 -0.62 -0.41 0.00 -2.04 0.00 0.00 64.34 61.31 1x67 n VAL 27 Cb 0.38 -0.47 -0.10 0.00 -1.47 0.00 0.00 33.84 32.19 1x67 n VAL 27 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1x67 s THR 28 N -3.16 5.21 -0.00 3.34 2.01 -0.02 -4.93 115.64 118.08 1x67 s THR 28 Ca -0.03 -0.10 0.32 0.00 0.31 0.00 0.00 61.69 62.19 1x67 s THR 28 Cb 0.10 -3.81 0.37 0.00 0.01 0.00 0.00 72.50 69.17 1x67 s THR 28 CO 0.82 -0.10 1.94 1.05 -0.69 0.00 0.00 174.62 177.64 1x67 h GLU 29 N 8.50 0.00 -0.29 4.92 4.11 -1.87 -3.19 114.58 126.75 1x67 h GLU 29 Ca -0.30 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.20 1x67 h GLU 29 Cb 1.14 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.32 1x67 h GLU 29 CO 0.68 0.00 -0.20 -0.22 0.07 0.00 0.00 179.01 179.35 1x67 h LYS 30 N 0.00 -0.16 -6.84 1.06 3.64 -1.92 -3.42 116.57 108.92 1x67 h LYS 30 Ca 0.00 0.01 -0.48 0.00 -1.27 0.00 0.00 60.65 58.91 1x67 h LYS 30 Cb 0.48 0.04 0.03 0.00 -0.41 0.00 0.00 32.23 32.37 1x67 h LYS 30 CO 0.00 -0.11 0.02 -1.12 -2.27 0.00 0.00 179.45 175.97 1x67 s SER 31 N -5.09 5.99 -0.76 4.20 0.01 -1.21 -5.02 113.70 111.83 1x67 s SER 31 Ca -0.14 0.63 -0.25 0.00 1.31 0.00 0.00 55.95 57.49 1x67 s SER 31 Cb 0.13 -1.89 0.04 0.00 0.21 0.00 0.00 66.02 64.51 1x67 s SER 31 CO 0.69 -0.68 1.23 -2.16 0.41 0.00 0.00 173.24 172.73 1x67 s PRO 32 N -4.68 3.23 -0.29 12.44 0.04 -1.26 -4.95 135.00 139.54 1x67 s PRO 32 Ca 0.48 -0.51 -0.15 0.00 0.04 0.00 0.00 61.00 60.86 1x67 s PRO 32 Cb -0.10 -4.34 0.10 0.00 0.04 0.00 0.00 34.50 30.19 1x67 s PRO 32 CO 0.42 -2.08 0.72 0.99 0.04 0.00 0.00 177.00 177.09 1x67 s THR 33 N 5.22 -0.21 -0.09 1.26 2.01 -1.26 -4.76 115.64 117.81 1x67 s THR 33 Ca 0.33 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.33 1x67 s THR 33 Cb -0.09 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.37 1x67 s THR 33 CO 0.10 0.00 -0.09 -0.67 -0.69 0.00 0.00 174.62 173.27 1x67 n ASP 34 N 4.49 2.73 -4.08 3.53 -0.08 0.64 -4.55 116.55 119.22 1x67 n ASP 34 Ca -0.18 -0.01 -0.27 0.00 -1.51 0.00 0.00 54.79 52.81 1x67 n ASP 34 Cb 0.57 -0.17 -0.07 0.00 2.34 0.00 0.00 41.12 43.78 1x67 n ASP 34 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 1x67 n TRP 35 N -2.91 0.29 -3.48 -0.67 4.27 -1.04 -1.15 117.44 112.75 1x67 n TRP 35 Ca -0.17 -2.71 0.01 0.00 -3.89 0.00 0.00 57.50 50.74 1x67 n TRP 35 Cb 0.66 -0.05 -0.04 0.00 -1.36 0.00 0.00 31.31 30.52 1x67 n TRP 35 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x67 s ALA 36 N -3.12 -2.48 -0.12 -1.67 0.00 -0.92 -3.92 121.76 109.53 1x67 s ALA 36 Ca 0.19 2.14 -0.06 0.00 0.00 0.00 0.00 51.96 54.23 1x67 s ALA 36 Cb 0.01 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1x67 s ALA 36 CO 0.13 -0.96 0.12 -1.17 0.00 0.00 0.00 175.76 173.88 1x67 s LEU 37 N 2.63 4.25 -0.13 0.00 2.96 0.06 -1.80 118.68 126.64 1x67 s LEU 37 Ca -0.03 0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 54.26 1x67 s LEU 37 Cb -0.08 -2.03 0.04 0.00 0.50 0.00 0.00 46.19 44.62 1x67 s LEU 37 CO -0.18 0.39 0.01 -0.36 -1.32 0.00 0.00 176.35 174.89 1x67 s PHE 38 N -0.91 0.91 0.34 5.38 0.08 -0.82 -0.12 117.98 122.84 1x67 s PHE 38 Ca 0.14 -0.53 0.07 0.00 0.12 0.00 0.00 56.93 56.74 1x67 s PHE 38 Cb -0.12 -0.94 -0.07 0.00 -0.57 0.00 0.00 43.02 41.32 1x67 s PHE 38 CO 0.03 -0.47 -0.03 -0.08 -0.10 0.00 0.00 175.22 174.57 1x67 s THR 39 N 1.90 1.84 0.77 0.64 -1.32 0.53 -1.81 115.64 118.18 1x67 s THR 39 Ca 0.02 -2.10 -0.11 0.00 -1.21 0.00 0.00 61.69 58.30 1x67 s THR 39 Cb -0.14 -2.70 0.05 0.00 -1.51 0.00 0.00 72.50 68.20 1x67 s THR 39 CO -0.07 -0.15 1.08 -0.31 -2.21 0.00 0.00 174.62 172.97 1x67 s TYR 40 N -2.86 2.68 -0.05 9.09 1.51 -1.26 -0.12 117.35 126.35 1x67 s TYR 40 Ca 0.33 1.50 -0.10 0.00 -1.01 0.00 0.00 57.07 57.78 1x67 s TYR 40 Cb 0.06 -3.02 -0.06 0.00 -0.11 0.00 0.00 41.96 38.83 1x67 s TYR 40 CO 0.15 -1.72 0.44 1.49 -1.11 0.00 0.00 175.55 174.81 1x67 h GLU 41 N -1.07 -0.35 0.00 -0.62 4.22 -1.77 -3.45 114.58 111.54 1x67 h GLU 41 Ca -0.44 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.02 1x67 h GLU 41 Cb 1.23 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1x67 h GLU 41 CO 0.53 -0.23 0.00 0.41 -2.18 0.00 0.00 179.01 177.54 1x67 n GLY 42 N 0.80 2.21 1.16 1.92 0.00 -1.26 -5.02 105.19 104.99 1x67 n GLY 42 Ca -0.05 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.62 1x67 n GLY 42 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x67 n ASN 43 N 0.00 2.67 -4.14 1.61 6.94 -1.26 -5.04 115.26 116.04 1x67 n ASN 43 Ca 0.00 -3.70 -0.09 0.00 -0.02 0.00 0.00 54.58 50.77 1x67 n ASN 43 Cb 0.00 -0.46 -0.10 0.00 -2.36 0.00 0.00 39.78 36.86 1x67 n ASN 43 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1x67 s SER 44 N -3.30 0.34 -0.44 0.53 1.04 -1.26 -5.11 113.70 105.51 1x67 s SER 44 Ca 0.42 -1.18 -0.28 0.00 0.48 0.00 0.00 55.95 55.38 1x67 s SER 44 Cb 0.38 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1x67 s SER 44 CO -0.04 -0.71 1.54 0.20 0.98 0.00 0.00 173.24 175.21 1x67 s ASN 45 N -3.03 6.10 -0.31 7.02 0.01 -1.26 -4.57 114.94 118.90 1x67 s ASN 45 Ca 0.22 0.79 -0.10 0.00 -0.71 0.00 0.00 52.86 53.06 1x67 s ASN 45 Cb 0.08 -2.54 0.21 0.00 0.41 0.00 0.00 41.25 39.41 1x67 s ASN 45 CO 0.00 -1.63 1.16 -1.81 -1.51 0.00 0.00 177.10 173.31 1x67 s ASP 46 N 4.90 -0.06 0.48 -1.22 1.01 -1.26 -4.41 116.67 116.11 1x67 s ASP 46 Ca 0.65 -0.06 -0.24 0.00 0.71 0.00 0.00 52.55 53.60 1x67 s ASP 46 Cb -0.15 0.08 -0.07 0.00 1.01 0.00 0.00 42.92 43.79 1x67 s ASP 46 CO 0.30 -0.00 1.39 -0.63 0.21 0.00 0.00 175.17 176.44 1x67 s ILE 47 N 1.28 2.16 0.10 0.77 -1.09 -1.26 -2.90 121.20 120.26 1x67 s ILE 47 Ca 0.20 0.13 -0.13 0.00 -2.23 0.00 0.00 60.65 58.63 1x67 s ILE 47 Cb 0.12 -3.07 0.02 0.00 -1.58 0.00 0.00 42.46 37.95 1x67 s ILE 47 CO -0.13 0.01 0.30 0.00 -1.23 0.00 0.00 174.94 173.89 1x67 s ARG 48 N -2.58 0.94 0.41 2.79 1.70 0.83 -4.50 118.95 118.54 1x67 s ARG 48 Ca 0.64 -0.79 -0.26 0.00 -0.47 0.00 0.00 55.73 54.84 1x67 s ARG 48 Cb -0.42 0.40 -0.10 0.00 -0.57 0.00 0.00 34.95 34.26 1x67 s ARG 48 CO 0.52 -0.33 1.37 0.28 -1.08 0.00 0.00 175.30 176.06 1x67 n VAL 49 N -0.06 2.39 -0.01 4.99 0.31 -1.26 -0.35 118.33 124.34 1x67 n VAL 49 Ca -0.16 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 63.66 1x67 n VAL 49 Cb 0.63 -1.74 -0.01 0.00 -0.91 0.00 0.00 33.84 31.81 1x67 n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x67 n ALA 50 N 0.04 1.95 0.00 3.52 0.00 0.83 -4.65 120.51 122.19 1x67 n ALA 50 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1x67 n ALA 50 Cb 0.39 0.38 0.00 0.00 0.00 0.00 0.00 19.45 20.22 1x67 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x67 n GLY 51 N 3.25 1.08 3.05 0.00 0.00 -1.19 -4.98 105.19 106.40 1x67 n GLY 51 Ca -0.04 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 1x67 n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x67 s THR 52 N -1.82 0.51 0.32 2.61 -4.23 -1.26 -0.76 115.64 111.00 1x67 s THR 52 Ca 0.00 -1.03 -0.15 0.00 -1.18 0.00 0.00 61.69 59.33 1x67 s THR 52 Cb 0.00 -0.57 0.03 0.00 1.34 0.00 0.00 72.50 73.29 1x67 s THR 52 CO 0.00 -0.37 0.67 -0.83 -0.54 0.00 0.00 174.62 173.55 1x67 s GLY 53 N -1.51 0.42 -0.11 3.99 0.00 -1.25 -5.04 107.32 103.81 1x67 s GLY 53 Ca -0.10 -0.75 0.16 0.00 0.00 0.00 0.00 44.72 44.04 1x67 s GLY 53 CO 0.00 -0.40 1.17 1.18 0.00 0.00 0.00 173.10 175.06 1x67 n GLU 54 N -0.49 0.83 0.04 2.90 4.71 -1.26 -0.26 120.64 127.12 1x67 n GLU 54 Ca -0.04 -2.53 0.09 0.00 -0.01 0.00 0.00 57.16 54.67 1x67 n GLU 54 Cb 0.60 -0.92 -0.08 0.00 -1.01 0.00 0.00 31.44 30.03 1x67 n GLU 54 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1x67 n GLY 55 N -0.48 -1.23 0.00 0.62 0.00 -1.26 -4.77 105.19 98.07 1x67 n GLY 55 Ca 0.12 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1x67 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x67 n GLY 56 N 1.25 -0.26 0.18 -0.02 0.00 -1.26 -4.58 105.19 100.50 1x67 n GLY 56 Ca -0.04 -2.13 -0.06 0.00 0.00 0.00 0.00 46.02 43.79 1x67 n GLY 56 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x67 h LEU 57 N 0.00 0.36 -2.14 0.99 3.38 -1.98 -1.46 115.31 114.47 1x67 h LEU 57 Ca 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1x67 h LEU 57 Cb 0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1x67 h LEU 57 CO 0.00 0.85 -0.06 -0.33 0.09 0.00 0.00 178.44 178.99 1x67 h GLU 58 N 0.25 0.00 0.00 1.13 5.08 -1.96 -1.50 114.58 117.58 1x67 h GLU 58 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1x67 h GLU 58 Cb 1.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 1x67 h GLU 58 CO 0.09 0.06 -1.93 -1.91 -1.00 0.00 0.00 179.01 174.32 1x67 n GLU 59 N -3.91 0.66 0.09 2.33 4.07 -1.09 -4.08 120.64 118.69 1x67 n GLU 59 Ca -0.03 0.05 -0.13 0.00 -0.06 0.00 0.00 57.16 57.00 1x67 n GLU 59 Cb 0.15 -1.64 -0.08 0.00 -0.06 0.00 0.00 31.44 29.81 1x67 n GLU 59 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 1x67 h MET 60 N 0.00 -0.24 -0.58 5.31 4.05 -0.64 -3.11 114.93 119.72 1x67 h MET 60 Ca -0.28 0.02 0.14 0.00 -0.28 0.00 0.00 59.70 59.29 1x67 h MET 60 Cb 1.74 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 32.56 1x67 h MET 60 CO 0.03 0.13 0.40 -0.39 0.23 0.00 0.00 176.91 177.32 1x67 h VAL 61 N -0.69 0.78 -0.27 -5.77 -1.51 -1.51 0.71 116.25 107.99 1x67 h VAL 61 Ca -0.03 -0.06 0.08 0.00 -1.23 0.00 0.00 66.70 65.46 1x67 h VAL 61 Cb 0.49 0.60 -0.01 0.00 -2.13 0.00 0.00 31.29 30.24 1x67 h VAL 61 CO 0.04 0.03 0.28 -0.33 -1.23 0.00 0.00 177.57 176.36 1x67 h GLU 62 N 0.17 0.00 0.01 5.19 5.08 -1.69 -0.24 114.58 123.10 1x67 h GLU 62 Ca 0.28 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.33 1x67 h GLU 62 Cb 0.87 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 1x67 h GLU 62 CO -0.04 0.00 -1.79 0.39 -1.00 0.00 0.00 179.01 176.57 1x67 n GLU 63 N -3.85 0.65 -1.68 2.33 -0.58 0.23 -4.91 120.64 112.83 1x67 n GLU 63 Ca 0.04 0.27 -0.51 0.00 -0.42 0.00 0.00 57.16 56.53 1x67 n GLU 63 Cb 0.42 -1.76 -0.06 0.00 -0.57 0.00 0.00 31.44 29.47 1x67 n GLU 63 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1x67 n LEU 64 N -3.06 2.84 -4.39 -4.62 4.77 -0.10 -4.95 117.00 107.50 1x67 n LEU 64 Ca -0.19 1.04 -0.35 0.00 -0.03 0.00 0.00 56.01 56.47 1x67 n LEU 64 Cb 1.06 -1.28 -0.13 0.00 -2.33 0.00 0.00 43.42 40.74 1x67 n LEU 64 CO 0.45 -0.33 -0.34 0.21 -1.33 0.00 0.00 177.39 176.05 1x67 s ASN 65 N 3.04 4.67 -0.74 -1.43 3.84 -1.26 -5.01 114.94 118.06 1x67 s ASN 65 Ca 0.92 -0.29 -0.26 0.00 0.21 0.00 0.00 52.86 53.44 1x67 s ASN 65 Cb -0.85 -1.81 -0.01 0.00 -0.55 0.00 0.00 41.25 38.03 1x67 s ASN 65 CO 0.54 -0.00 1.74 -0.94 -2.79 0.00 0.00 177.10 175.65 1x67 s SER 66 N 1.38 5.51 0.00 -4.21 1.04 -1.26 -2.97 113.70 113.19 1x67 s SER 66 Ca 0.05 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1x67 s SER 66 Cb -0.15 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1x67 s SER 66 CO 0.00 -2.29 0.00 0.61 0.98 0.00 0.00 173.24 172.54 1x67 n GLY 67 N 6.03 0.29 3.07 7.32 0.00 -1.26 -4.63 105.19 116.00 1x67 n GLY 67 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 1x67 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x67 s LYS 68 N 0.00 1.47 0.10 1.61 1.02 -1.16 -4.15 119.74 118.64 1x67 s LYS 68 Ca 0.00 -0.46 -0.31 0.00 0.02 0.00 0.00 55.97 55.22 1x67 s LYS 68 Cb 0.00 -1.29 -0.08 0.00 -0.52 0.00 0.00 37.83 35.94 1x67 s LYS 68 CO 0.00 0.16 1.40 0.08 -0.92 0.00 0.00 175.35 176.07 1x67 s VAL 69 N 0.21 3.34 0.23 3.17 1.01 -1.26 -4.29 120.40 122.81 1x67 s VAL 69 Ca -0.06 0.93 -0.04 0.00 0.00 0.00 0.00 61.98 62.82 1x67 s VAL 69 Cb -0.11 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1x67 s VAL 69 CO 0.02 0.06 0.25 -0.04 0.00 0.00 0.00 175.10 175.39 1x67 s MET 70 N 1.33 1.37 -0.14 2.72 -1.94 -0.97 -4.47 119.30 117.20 1x67 s MET 70 Ca 0.65 -1.56 0.01 0.00 -1.71 0.00 0.00 55.69 53.08 1x67 s MET 70 Cb -0.36 0.34 0.02 0.00 2.01 0.00 0.00 34.83 36.83 1x67 s MET 70 CO 0.30 -0.50 -0.15 0.71 -0.01 0.00 0.00 175.02 175.37 1x67 s TYR 71 N -4.01 2.18 -0.25 -0.03 1.51 -0.75 -2.09 117.35 113.90 1x67 s TYR 71 Ca 0.34 -1.17 -0.07 0.00 -1.01 0.00 0.00 57.07 55.16 1x67 s TYR 71 Cb 0.04 -1.58 -0.03 0.00 -0.11 0.00 0.00 41.96 40.28 1x67 s TYR 71 CO 0.13 -0.62 0.07 0.00 -1.11 0.00 0.00 175.55 174.02 1x67 s ALA 72 N 1.31 3.16 -0.38 3.71 0.00 -1.12 -1.94 121.76 126.49 1x67 s ALA 72 Ca 0.01 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.86 1x67 s ALA 72 Cb -0.14 -2.09 0.11 0.00 0.00 0.00 0.00 23.12 21.00 1x67 s ALA 72 CO -0.08 -0.50 0.11 0.12 0.00 0.00 0.00 175.76 175.41 1x67 s PHE 73 N 1.61 3.66 0.35 0.00 5.36 -0.75 -2.55 117.98 125.67 1x67 s PHE 73 Ca 0.06 -2.94 0.07 0.00 -0.96 0.00 0.00 56.93 53.16 1x67 s PHE 73 Cb -0.15 -2.97 -0.01 0.00 -0.34 0.00 0.00 43.02 39.55 1x67 s PHE 73 CO 0.04 -0.92 0.43 0.00 -1.46 0.00 0.00 175.22 173.30 1x67 s ARG 75 N -4.15 0.51 0.13 0.00 3.52 -0.30 -2.96 118.95 115.70 1x67 s ARG 75 Ca 0.45 -0.23 0.05 0.00 -0.13 0.00 0.00 55.73 55.86 1x67 s ARG 75 Cb -0.08 -1.80 -0.04 0.00 -1.56 0.00 0.00 34.95 31.46 1x67 s ARG 75 CO 0.30 -0.58 -0.11 0.14 -0.81 0.00 0.00 175.30 174.24 1x67 s VAL 76 N 1.94 1.14 -0.06 7.11 -7.23 -1.10 -4.95 120.40 117.25 1x67 s VAL 76 Ca 0.01 -1.88 -0.19 0.00 -1.81 0.00 0.00 61.98 58.11 1x67 s VAL 76 Cb -0.16 -1.65 -0.05 0.00 0.56 0.00 0.00 36.38 35.08 1x67 s VAL 76 CO -0.08 -0.63 0.52 -1.59 -0.31 0.00 0.00 175.10 173.01 1x67 s LYS 77 N -3.28 4.28 1.00 4.82 -2.85 -1.26 -0.19 119.74 122.25 1x67 s LYS 77 Ca 0.12 0.56 -0.13 0.00 -1.00 0.00 0.00 55.97 55.52 1x67 s LYS 77 Cb -0.00 -3.37 0.09 0.00 -2.06 0.00 0.00 37.83 32.49 1x67 s LYS 77 CO 0.01 0.31 0.52 -0.25 0.10 0.00 0.00 175.35 176.03 1x67 n ASP 78 N 3.07 -1.66 -0.03 0.03 9.92 -0.00 -4.87 116.55 123.01 1x67 n ASP 78 Ca -0.08 0.22 -0.14 0.00 -0.53 0.00 0.00 54.79 54.26 1x67 n ASP 78 Cb 0.51 -1.22 -0.11 0.00 -0.64 0.00 0.00 41.12 39.67 1x67 n ASP 78 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1x67 h PRO 79 N -1.82 0.14 0.00 -0.24 0.13 -1.91 -3.23 132.00 125.06 1x67 h PRO 79 Ca -0.47 -0.13 -0.39 0.00 -0.87 0.00 0.00 66.00 64.15 1x67 h PRO 79 Cb 1.30 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.39 1x67 h PRO 79 CO 0.37 0.82 -2.40 0.09 -0.23 0.00 0.00 178.00 176.66 1x67 n ASN 80 N -4.59 2.00 -0.28 1.44 3.02 -1.26 -4.45 115.26 111.14 1x67 n ASN 80 Ca -0.09 0.05 0.16 0.00 -0.03 0.00 0.00 54.58 54.68 1x67 n ASN 80 Cb 0.43 -0.53 0.44 0.00 -0.61 0.00 0.00 39.78 39.51 1x67 n ASN 80 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1x67 h SER 81 N -0.38 0.55 -0.96 6.41 0.87 -1.96 -3.45 113.55 114.63 1x67 h SER 81 Ca -0.59 0.06 -0.30 0.00 -1.23 0.00 0.00 61.79 59.73 1x67 h SER 81 Cb 1.72 -0.05 -0.10 0.00 -0.44 0.00 0.00 62.40 63.54 1x67 h SER 81 CO -0.21 0.22 -0.29 0.61 -0.53 0.00 0.00 176.83 176.63 1x67 n GLY 82 N -1.45 1.17 3.34 5.77 0.00 -1.22 -4.96 105.19 107.84 1x67 n GLY 82 Ca 0.20 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 1x67 n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x67 s LEU 83 N -3.49 2.39 -0.26 0.99 1.43 -1.26 -4.85 118.68 113.63 1x67 s LEU 83 Ca 0.00 -0.81 -0.29 0.00 -1.03 0.00 0.00 54.13 52.00 1x67 s LEU 83 Cb 0.00 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.26 1x67 s LEU 83 CO 0.00 0.04 1.56 -2.16 0.23 0.00 0.00 176.35 176.02 1x67 s PRO 84 N -2.48 3.75 0.23 1.29 0.04 -1.26 -0.82 135.00 135.74 1x67 s PRO 84 Ca 0.14 1.50 0.07 0.00 0.04 0.00 0.00 61.00 62.74 1x67 s PRO 84 Cb -0.08 -4.02 -0.04 0.00 0.04 0.00 0.00 34.50 30.40 1x67 s PRO 84 CO 0.07 -1.34 0.15 0.15 0.04 0.00 0.00 177.00 176.06 1x67 s LYS 85 N 4.71 2.82 -0.08 4.56 -0.14 0.73 -4.96 119.74 127.38 1x67 s LYS 85 Ca 0.69 -1.05 -0.01 0.00 -1.36 0.00 0.00 55.97 54.24 1x67 s LYS 85 Cb -0.22 -2.53 -0.03 0.00 -1.68 0.00 0.00 37.83 33.37 1x67 s LYS 85 CO 0.29 0.42 -0.03 -0.06 -0.76 0.00 0.00 175.35 175.21 1x67 s PHE 86 N -2.04 3.06 -0.01 3.18 0.08 -1.26 -2.72 117.98 118.27 1x67 s PHE 86 Ca 0.32 0.09 0.07 0.00 0.12 0.00 0.00 56.93 57.53 1x67 s PHE 86 Cb -0.08 -1.77 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 1x67 s PHE 86 CO 0.24 0.38 -0.23 0.08 -0.10 0.00 0.00 175.22 175.58 1x67 s VAL 87 N -0.77 1.83 -0.19 -0.44 1.01 -1.16 -0.87 120.40 119.81 1x67 s VAL 87 Ca 0.12 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1x67 s VAL 87 Cb -0.11 -1.52 0.03 0.00 0.00 0.00 0.00 36.38 34.77 1x67 s VAL 87 CO 0.02 0.48 -0.17 -0.22 0.00 0.00 0.00 175.10 175.21 1x67 s LEU 88 N -0.63 2.32 -0.11 3.92 1.98 -0.88 -3.62 118.68 121.66 1x67 s LEU 88 Ca 0.09 -0.78 0.01 0.00 -2.89 0.00 0.00 54.13 50.56 1x67 s LEU 88 Cb -0.09 -1.44 -0.01 0.00 0.66 0.00 0.00 46.19 45.31 1x67 s LEU 88 CO -0.01 -0.05 -0.16 -0.63 -1.89 0.00 0.00 176.35 173.61 1x67 s ILE 89 N 1.29 2.82 -1.12 6.68 1.01 -1.06 -1.67 121.20 129.16 1x67 s ILE 89 Ca 0.02 -0.76 -0.07 0.00 0.00 0.00 0.00 60.65 59.85 1x67 s ILE 89 Cb -0.14 -2.15 0.28 0.00 0.01 0.00 0.00 42.46 40.46 1x67 s ILE 89 CO -0.11 0.54 1.41 0.59 0.00 0.00 0.00 174.94 177.37 1x67 n ASN 90 N 3.32 5.97 -4.68 3.58 3.02 -0.44 -2.80 115.26 123.22 1x67 n ASN 90 Ca -0.18 -3.25 -0.52 0.00 -0.03 0.00 0.00 54.58 50.60 1x67 n ASN 90 Cb 0.53 -1.34 -0.06 0.00 -0.61 0.00 0.00 39.78 38.30 1x67 n ASN 90 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1x67 n TRP 91 N 2.19 2.16 -3.53 3.10 -0.00 -0.89 -3.96 117.44 116.51 1x67 n TRP 91 Ca 0.27 0.26 -0.29 0.00 -0.00 0.00 0.00 57.50 57.75 1x67 n TRP 91 Cb 0.36 -2.55 -0.12 0.00 -0.00 0.00 0.00 31.31 28.99 1x67 n TRP 91 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1x67 s THR 92 N 3.30 0.61 0.37 5.87 2.01 -1.17 -2.30 115.64 124.34 1x67 s THR 92 Ca 0.93 -2.18 -0.26 0.00 0.31 0.00 0.00 61.69 60.49 1x67 s THR 92 Cb -0.85 -1.44 -0.12 0.00 0.01 0.00 0.00 72.50 70.11 1x67 s THR 92 CO 0.55 -1.01 1.04 0.61 -0.69 0.00 0.00 174.62 175.12 1x67 n GLY 93 N 3.64 -0.14 0.23 4.40 0.00 -1.25 -4.27 105.19 107.81 1x67 n GLY 93 Ca 0.14 0.22 0.08 0.00 0.00 0.00 0.00 46.02 46.46 1x67 n GLY 93 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1x67 h GLU 94 N 1.80 0.00 -0.04 1.61 5.08 -1.87 -2.33 114.58 118.83 1x67 h GLU 94 Ca -0.43 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1x67 h GLU 94 Cb 1.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 1x67 h GLU 94 CO 0.59 0.19 0.13 0.78 -1.00 0.00 0.00 179.01 179.69 1x67 h GLY 95 N 0.75 0.00 -4.95 -3.84 0.00 -1.84 -3.41 103.07 89.77 1x67 h GLY 95 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1x67 h GLY 95 CO 0.02 0.00 0.81 0.14 0.00 0.00 0.00 176.54 177.51 1x67 s VAL 96 N -4.26 4.19 1.20 4.60 1.01 -0.88 -4.99 120.40 121.27 1x67 s VAL 96 Ca -0.04 1.49 -0.18 0.00 0.00 0.00 0.00 61.98 63.25 1x67 s VAL 96 Cb 0.12 -3.96 0.23 0.00 0.00 0.00 0.00 36.38 32.78 1x67 s VAL 96 CO 0.41 -0.06 0.50 -0.46 0.00 0.00 0.00 175.10 175.49 1x67 n ASN 97 N 5.83 -2.92 0.09 3.32 6.94 -1.26 -4.75 115.26 122.50 1x67 n ASN 97 Ca 0.13 -0.41 -0.22 0.00 -0.02 0.00 0.00 54.58 54.05 1x67 n ASN 97 Cb 0.45 -0.97 -0.13 0.00 -2.36 0.00 0.00 39.78 36.77 1x67 n ASN 97 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1x67 h ASP 98 N -2.79 0.84 -0.39 0.53 3.32 -1.94 -2.62 116.42 113.37 1x67 h ASP 98 Ca -0.44 -0.84 0.11 0.00 0.02 0.00 0.00 57.03 55.88 1x67 h ASP 98 Cb 1.19 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 1x67 h ASP 98 CO 0.31 1.59 0.30 0.58 -1.72 0.00 0.00 179.24 180.30 1x67 h VAL 99 N 0.21 0.69 0.16 -1.35 2.07 -2.00 -1.67 116.25 114.36 1x67 h VAL 99 Ca -0.19 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 66.98 1x67 h VAL 99 Cb 1.89 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1x67 h VAL 99 CO 0.23 0.00 -1.82 -0.09 0.02 0.00 0.00 177.57 175.91 1x67 h ARG 100 N 0.00 0.34 -0.90 1.57 9.65 -1.91 -3.24 114.38 119.89 1x67 h ARG 100 Ca 0.18 -0.58 0.20 0.00 -1.10 0.00 0.00 59.98 58.68 1x67 h ARG 100 Cb 0.79 0.22 -0.07 0.00 -1.39 0.00 0.00 29.97 29.52 1x67 h ARG 100 CO -0.00 1.28 0.59 0.87 2.80 0.00 0.00 179.97 185.51 1x67 h LYS 101 N 0.06 0.43 0.00 0.20 1.57 -0.92 0.34 116.57 118.25 1x67 h LYS 101 Ca -0.37 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1x67 h LYS 101 Cb 2.05 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.26 1x67 h LYS 101 CO 0.14 0.29 -0.41 0.78 -0.57 0.00 0.00 179.45 179.67 1x67 h GLY 102 N 0.45 0.00 1.25 3.86 0.00 -1.58 -3.05 103.07 104.00 1x67 h GLY 102 Ca 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.66 1x67 h GLY 102 CO -0.19 0.00 -1.15 0.00 0.00 0.00 0.00 176.54 175.20 1x67 h ALA 103 N 2.04 0.65 0.00 3.60 0.00 -0.54 -3.34 119.26 121.66 1x67 h ALA 103 Ca 0.00 -0.69 -0.15 0.00 0.00 0.00 0.00 54.91 54.07 1x67 h ALA 103 Cb 0.98 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1x67 h ALA 103 CO 0.00 0.79 -0.99 0.00 0.00 0.00 0.00 179.25 179.04 1x67 h ALA 105 N 1.40 1.84 -0.01 0.00 0.00 -1.65 -1.03 119.26 119.81 1x67 h ALA 105 Ca -0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1x67 h ALA 105 Cb 1.53 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1x67 h ALA 105 CO 0.06 0.13 -0.12 1.03 0.00 0.00 0.00 179.25 180.35 1x67 h SER 106 N 0.38 0.02 1.00 0.00 0.87 -1.73 -1.57 113.55 112.51 1x67 h SER 106 Ca 0.12 -0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.57 1x67 h SER 106 Cb 0.04 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1x67 h SER 106 CO -0.03 0.14 -0.54 0.45 -0.53 0.00 0.00 176.83 176.33 1x67 h HIS 107 N 0.02 0.00 -0.69 2.24 3.86 -1.38 -3.16 115.15 116.03 1x67 h HIS 107 Ca 0.00 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.40 1x67 h HIS 107 Cb 0.23 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 1x67 h HIS 107 CO 0.00 0.54 0.49 0.28 0.86 0.00 0.00 177.93 180.09 1x67 h VAL 108 N 0.00 0.69 -0.23 2.45 2.07 -1.18 0.12 116.25 120.17 1x67 h VAL 108 Ca -0.01 -0.03 -0.16 0.00 0.82 0.00 0.00 66.70 67.32 1x67 h VAL 108 Cb 1.18 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1x67 h VAL 108 CO 0.07 0.02 -0.51 0.28 0.02 0.00 0.00 177.57 177.45 1x67 h SER 109 N 0.09 0.71 0.14 0.57 0.02 -1.65 -1.19 113.55 112.24 1x67 h SER 109 Ca 0.33 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1x67 h SER 109 Cb 1.19 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1x67 h SER 109 CO -0.03 1.09 -0.07 0.74 -1.14 0.00 0.00 176.83 177.42 1x67 h THR 110 N 0.50 0.93 -0.61 -2.27 2.02 -0.98 -3.21 112.91 109.29 1x67 h THR 110 Ca 0.02 -1.16 0.01 0.00 0.77 0.00 0.00 66.41 66.05 1x67 h THR 110 Cb 1.06 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 69.00 1x67 h THR 110 CO 0.10 0.24 0.41 0.24 0.37 0.00 0.00 175.52 176.88 1x67 h MET 111 N -0.83 0.79 -0.80 6.66 2.07 -1.27 -2.19 114.93 119.36 1x67 h MET 111 Ca -0.02 -0.05 0.12 0.00 -2.07 0.00 0.00 59.70 57.68 1x67 h MET 111 Cb 0.54 -0.18 -0.08 0.00 -1.87 0.00 0.00 31.60 30.01 1x67 h MET 111 CO 0.03 0.52 0.41 0.00 1.07 0.00 0.00 176.91 178.94 1x67 h ALA 112 N 1.62 1.15 -0.11 6.32 0.00 -1.26 -0.28 119.26 126.71 1x67 h ALA 112 Ca 0.23 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 1x67 h ALA 112 Cb -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1x67 h ALA 112 CO -0.05 -0.05 -0.65 0.77 0.00 0.00 0.00 179.25 179.26 1x67 h SER 113 N 0.63 0.49 -0.14 0.00 0.02 -1.41 -3.17 113.55 109.97 1x67 h SER 113 Ca 0.41 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1x67 h SER 113 Cb 0.52 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1x67 h SER 113 CO -0.32 1.01 0.07 0.15 -1.14 0.00 0.00 176.83 176.60 1x67 h PHE 114 N 0.31 0.20 -1.91 3.45 3.57 -0.81 -3.07 116.94 118.68 1x67 h PHE 114 Ca -0.02 -0.01 -0.74 0.00 3.53 0.00 0.00 57.97 60.73 1x67 h PHE 114 Cb 1.20 -0.06 -0.25 0.00 2.79 0.00 0.00 35.95 39.63 1x67 h PHE 114 CO 0.04 0.23 1.03 1.28 -2.23 0.00 0.00 178.31 178.66 1x67 n LEU 115 N -4.93 7.39 -4.30 0.59 4.77 -0.25 -5.01 117.00 115.26 1x67 n LEU 115 Ca -0.05 -4.86 -0.28 0.00 -0.03 0.00 0.00 56.01 50.79 1x67 n LEU 115 Cb 0.08 -1.12 0.24 0.00 -2.33 0.00 0.00 43.42 40.30 1x67 n LEU 115 CO 0.34 1.83 0.18 0.29 -1.33 0.00 0.00 177.39 178.70 1x67 n LYS 116 N -0.18 -3.07 0.00 3.23 4.76 -1.16 -3.82 118.16 117.92 1x67 n LYS 116 Ca 0.52 -0.89 0.00 0.00 -2.87 0.00 0.00 58.31 55.07 1x67 n LYS 116 Cb 0.28 -1.92 0.00 0.00 -1.84 0.00 0.00 35.03 31.55 1x67 n LYS 116 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x67 n GLY 117 N 1.67 3.27 3.46 0.72 0.00 -1.26 -4.99 105.19 108.05 1x67 n GLY 117 Ca 0.05 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.58 1x67 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x67 n ALA 118 N -1.20 1.11 0.18 4.61 0.00 -1.25 -4.37 120.51 119.59 1x67 n ALA 118 Ca 0.00 -0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.37 1x67 n ALA 118 Cb 0.00 -2.60 0.32 0.00 0.00 0.00 0.00 19.45 17.17 1x67 n ALA 118 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x67 h HIS 119 N 12.89 0.00 -3.50 0.00 3.86 -1.39 -3.45 115.15 123.55 1x67 h HIS 119 Ca -0.27 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 58.79 1x67 h HIS 119 Cb 1.31 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 29.58 1x67 h HIS 119 CO 0.96 0.41 -0.49 0.08 0.86 0.00 0.00 177.93 179.75 1x67 s VAL 120 N -3.64 0.08 -0.01 2.45 1.01 -1.24 -4.80 120.40 114.24 1x67 s VAL 120 Ca -0.00 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.34 1x67 s VAL 120 Cb 0.11 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 1x67 s VAL 120 CO 0.70 -0.37 -0.15 -0.89 0.00 0.00 0.00 175.10 174.39 1x67 s THR 121 N -1.37 1.19 -0.02 3.92 2.01 -1.26 -2.08 115.64 118.04 1x67 s THR 121 Ca -0.15 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.22 1x67 s THR 121 Cb -0.07 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.45 1x67 s THR 121 CO 0.02 0.34 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.63 1x67 s ILE 122 N -0.31 0.28 -0.92 1.82 1.01 -0.67 -5.01 121.20 117.40 1x67 s ILE 122 Ca 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 1x67 s ILE 122 Cb -0.06 -0.31 0.23 0.00 0.01 0.00 0.00 42.46 42.32 1x67 s ILE 122 CO -0.00 0.14 0.84 0.20 0.00 0.00 0.00 174.94 176.11 1x67 s ASN 123 N 0.60 6.38 0.72 3.58 -0.87 -1.26 -1.33 114.94 122.77 1x67 s ASN 123 Ca -0.06 -3.47 -0.03 0.00 -1.57 0.00 0.00 52.86 47.73 1x67 s ASN 123 Cb -0.10 -2.02 0.12 0.00 -0.02 0.00 0.00 41.25 39.23 1x67 s ASN 123 CO -0.01 -0.28 0.76 0.00 -2.57 0.00 0.00 177.10 175.00 1x67 n ALA 124 N 2.76 -0.16 0.00 0.60 0.00 -1.25 -4.97 120.51 117.48 1x67 n ALA 124 Ca 0.20 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.30 1x67 n ALA 124 Cb 0.39 0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1x67 n ALA 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x67 n ARG 125 N -2.46 0.00 -3.84 0.00 1.74 -1.26 -3.03 116.66 107.80 1x67 n ARG 125 Ca 0.12 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.98 1x67 n ARG 125 Cb 0.41 -0.26 -0.02 0.00 -1.02 0.00 0.00 32.46 31.57 1x67 n ARG 125 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x67 s ALA 126 N -1.26 3.93 0.44 7.54 0.00 -1.26 -3.86 121.76 127.29 1x67 s ALA 126 Ca 0.00 -1.21 0.26 0.00 0.00 0.00 0.00 51.96 51.01 1x67 s ALA 126 Cb 0.00 -1.78 1.44 0.00 0.00 0.00 0.00 23.12 22.78 1x67 s ALA 126 CO 0.00 0.18 2.08 0.93 0.00 0.00 0.00 175.76 178.95 1x67 h GLU 127 N 1.09 0.00 0.00 0.00 5.08 -1.97 -1.52 114.58 117.26 1x67 h GLU 127 Ca -0.51 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.79 1x67 h GLU 127 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1x67 h GLU 127 CO 0.60 0.11 -0.26 1.05 -1.00 0.00 0.00 179.01 179.51 1x67 h GLU 128 N 0.00 0.00 -0.84 2.33 4.11 -2.01 -2.92 114.58 115.26 1x67 h GLU 128 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.22 1x67 h GLU 128 Cb 0.29 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.42 1x67 h GLU 128 CO 0.01 0.26 0.26 -0.25 0.07 0.00 0.00 179.01 179.37 1x67 n ASP 129 N -3.34 4.14 -0.97 3.06 8.00 -0.57 -3.98 116.55 122.89 1x67 n ASP 129 Ca 0.01 -2.99 -0.01 0.00 0.71 0.00 0.00 54.79 52.50 1x67 n ASP 129 Cb 0.49 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 1x67 n ASP 129 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1x67 n VAL 130 N -0.16 0.00 -1.71 2.53 0.24 -1.10 -4.64 118.33 113.49 1x67 n VAL 130 Ca 0.34 -0.30 -0.30 0.00 -2.04 0.00 0.00 64.34 62.04 1x67 n VAL 130 Cb 1.21 0.55 0.05 0.00 -1.47 0.00 0.00 33.84 34.19 1x67 n VAL 130 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1x67 s GLU 131 N 0.00 2.81 0.17 7.34 8.01 -1.23 -4.83 118.70 130.97 1x67 s GLU 131 Ca 0.10 0.70 -0.23 0.00 0.01 0.00 0.00 54.97 55.55 1x67 s GLU 131 Cb 0.12 -2.00 0.07 0.00 -4.31 0.00 0.00 34.13 28.01 1x67 s GLU 131 CO -0.05 -1.12 1.60 -1.35 0.01 0.00 0.00 175.26 174.35 1x67 h PRO 132 N -0.72 -0.23 -0.44 0.39 0.11 -1.94 0.04 132.00 129.20 1x67 h PRO 132 Ca -0.45 0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1x67 h PRO 132 Cb 1.23 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1x67 h PRO 132 CO 0.60 -0.15 -0.04 1.05 -0.21 0.00 0.00 178.00 179.25 1x67 h GLU 133 N -0.24 0.80 -0.19 1.05 4.11 -1.97 0.24 114.58 118.39 1x67 h GLU 133 Ca 0.18 -0.28 0.05 0.00 0.07 0.00 0.00 59.36 59.38 1x67 h GLU 133 Cb 0.54 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1x67 h GLU 133 CO -0.55 0.89 0.19 0.00 0.07 0.00 0.00 179.01 179.61 1x67 n ILE 135 N -3.89 1.60 0.27 0.00 5.41 -0.08 -4.25 119.36 118.41 1x67 n ILE 135 Ca 0.02 -0.48 0.12 0.00 1.00 0.00 0.00 62.75 63.41 1x67 n ILE 135 Cb 0.32 -1.70 0.75 0.00 -0.71 0.00 0.00 39.64 38.29 1x67 n ILE 135 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1x67 h MET 136 N -0.32 0.00 0.00 0.38 2.86 -0.11 -1.27 114.93 116.47 1x67 h MET 136 Ca -0.52 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.08 1x67 h MET 136 Cb 1.80 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.45 1x67 h MET 136 CO -0.12 0.09 -0.19 0.93 1.06 0.00 0.00 176.91 178.68 1x67 h GLU 137 N 0.00 0.00 0.00 1.72 4.39 -0.86 -2.72 114.58 117.10 1x67 h GLU 137 Ca -0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 1x67 h GLU 137 Cb 0.21 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.82 1x67 h GLU 137 CO 0.01 0.19 -1.89 1.63 -1.16 0.00 0.00 179.01 177.79 1x67 n LYS 138 N -3.77 0.65 -0.13 2.33 5.02 -0.55 -4.21 118.16 117.50 1x67 n LYS 138 Ca -0.02 0.11 -0.01 0.00 -2.02 0.00 0.00 58.31 56.38 1x67 n LYS 138 Cb 0.29 -1.67 0.24 0.00 -0.02 0.00 0.00 35.03 33.88 1x67 n LYS 138 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1x67 h VAL 139 N 0.00 1.20 -0.79 -0.18 2.07 -1.07 -2.57 116.25 114.91 1x67 h VAL 139 Ca -0.31 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1x67 h VAL 139 Cb 1.85 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 1x67 h VAL 139 CO 0.04 0.24 0.51 0.00 0.02 0.00 0.00 177.57 178.38 1x67 h ALA 140 N 1.47 1.00 -1.47 1.67 0.00 -1.68 -3.39 119.26 116.86 1x67 h ALA 140 Ca 0.20 -0.07 -0.48 0.00 0.00 0.00 0.00 54.91 54.56 1x67 h ALA 140 Cb 0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1x67 h ALA 140 CO -0.02 0.43 1.37 -1.54 0.00 0.00 0.00 179.25 179.48 1x67 s SER 141 N -5.95 5.13 1.07 0.00 1.04 -0.97 -4.95 113.70 109.08 1x67 s SER 141 Ca -0.13 0.41 -0.16 0.00 0.48 0.00 0.00 55.95 56.54 1x67 s SER 141 Cb 0.15 -2.53 0.23 0.00 0.10 0.00 0.00 66.02 63.98 1x67 s SER 141 CO 0.79 -2.48 1.16 -0.83 0.98 0.00 0.00 173.24 172.86 1x67 s GLY 142 N 8.74 1.62 0.18 7.32 0.00 -1.26 -4.98 107.32 118.94 1x67 s GLY 142 Ca 0.72 -0.85 -0.01 0.00 0.00 0.00 0.00 44.72 44.57 1x67 s GLY 142 CO 0.21 -0.09 1.46 -0.56 0.00 0.00 0.00 173.10 174.12 1x67 h PRO 143 N -2.10 0.42 -6.59 2.90 0.13 -1.93 -3.44 132.00 121.38 1x67 h PRO 143 Ca -0.47 -0.32 -0.53 0.00 -0.87 0.00 0.00 66.00 63.81 1x67 h PRO 143 Cb 1.29 0.06 0.03 0.00 0.13 0.00 0.00 31.00 32.51 1x67 h PRO 143 CO 0.43 0.95 0.70 0.45 -0.23 0.00 0.00 178.00 180.30 1x67 s SER 144 N -6.96 6.84 0.14 1.44 0.15 -1.26 -5.03 113.70 109.03 1x67 s SER 144 Ca -0.06 2.36 0.08 0.00 0.70 0.00 0.00 55.95 59.03 1x67 s SER 144 Cb 0.11 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.78 1x67 s SER 144 CO 0.84 -0.61 -0.19 -0.55 1.20 0.00 0.00 173.24 173.92 1x67 s SER 145 N 0.84 2.63 0.00 5.45 0.15 -1.26 -5.15 113.70 116.36 1x67 s SER 145 Ca 0.62 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1x67 s SER 145 Cb -0.37 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 1x67 s SER 145 CO 0.33 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.39