#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x67 s SER 2 N 0.00 2.92 0.28 1.61 1.04 -1.26 -5.13 113.70 113.16 1x67 s SER 2 Ca 0.00 -1.44 -0.28 0.00 0.48 0.00 0.00 55.95 54.70 1x67 s SER 2 Cb 0.00 -0.02 -0.09 0.00 0.10 0.00 0.00 66.02 66.01 1x67 s SER 2 CO 0.00 -0.64 0.99 -0.55 0.98 0.00 0.00 173.24 174.02 1x67 s SER 3 N -3.59 7.42 0.00 7.02 0.15 -1.26 -4.86 113.70 118.58 1x67 s SER 3 Ca 0.32 2.01 0.00 0.00 0.70 0.00 0.00 55.95 58.97 1x67 s SER 3 Cb 0.08 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1x67 s SER 3 CO 0.15 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1x67 n GLY 4 N 1.12 -1.76 2.50 9.45 0.00 -1.26 -4.98 105.19 110.25 1x67 n GLY 4 Ca -0.00 -1.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.13 1x67 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x67 n SER 5 N 0.11 -5.30 -4.99 1.61 2.88 -1.26 -5.00 113.62 101.67 1x67 n SER 5 Ca 0.00 -0.09 -0.19 0.00 -1.33 0.00 0.00 58.87 57.26 1x67 n SER 5 Cb 0.00 -4.30 0.00 0.00 -0.75 0.00 0.00 64.21 59.17 1x67 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x67 s SER 6 N -2.37 5.84 1.07 -3.46 0.15 -1.26 -5.11 113.70 108.55 1x67 s SER 6 Ca 0.08 -0.19 -0.06 0.00 0.70 0.00 0.00 55.95 56.48 1x67 s SER 6 Cb -0.04 -1.09 0.09 0.00 -1.71 0.00 0.00 66.02 63.27 1x67 s SER 6 CO 0.10 -0.59 0.32 0.61 1.20 0.00 0.00 173.24 174.89 1x67 n GLY 7 N -1.78 -2.43 3.39 9.45 0.00 -1.26 -4.94 105.19 107.62 1x67 n GLY 7 Ca 0.03 -1.48 -0.45 0.00 0.00 0.00 0.00 46.02 44.12 1x67 n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x67 s MET 8 N -3.73 3.90 0.02 1.61 -1.94 -1.26 -4.99 119.30 112.91 1x67 s MET 8 Ca 0.21 -2.57 0.01 0.00 -1.71 0.00 0.00 55.69 51.62 1x67 s MET 8 Cb -0.02 -4.72 -0.02 0.00 2.01 0.00 0.00 34.83 32.08 1x67 s MET 8 CO 0.16 -1.49 -0.04 0.00 -0.01 0.00 0.00 175.02 173.64 1x67 s ALA 9 N 0.61 0.25 0.22 3.03 0.00 -1.26 -4.59 121.76 120.02 1x67 s ALA 9 Ca 0.31 -0.48 -0.31 0.00 0.00 0.00 0.00 51.96 51.48 1x67 s ALA 9 Cb -0.07 0.06 -0.10 0.00 0.00 0.00 0.00 23.12 23.01 1x67 s ALA 9 CO -0.07 -0.06 1.55 0.00 0.00 0.00 0.00 175.76 177.18 1x67 s ALA 10 N -1.00 3.74 -0.14 0.00 0.00 -1.26 -4.85 121.76 118.24 1x67 s ALA 10 Ca -0.09 1.42 -0.06 0.00 0.00 0.00 0.00 51.96 53.22 1x67 s ALA 10 Cb -0.07 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 1x67 s ALA 10 CO -0.00 -0.82 0.08 1.21 0.00 0.00 0.00 175.76 176.22 1x67 s ASN 11 N 0.77 5.83 -0.14 0.00 2.47 -1.26 -4.95 114.94 117.65 1x67 s ASN 11 Ca 0.66 0.23 0.22 0.00 0.42 0.00 0.00 52.86 54.39 1x67 s ASN 11 Cb -0.44 -1.89 0.46 0.00 -1.45 0.00 0.00 41.25 37.93 1x67 s ASN 11 CO 0.38 0.30 1.15 0.18 -3.72 0.00 0.00 177.10 175.40 1x67 n LEU 12 N 2.69 1.67 -0.10 3.21 4.32 -1.26 -1.66 117.00 125.87 1x67 n LEU 12 Ca -0.18 -2.76 -0.24 0.00 -0.02 0.00 0.00 56.01 52.81 1x67 n LEU 12 Cb 0.53 0.11 -0.12 0.00 -1.62 0.00 0.00 43.42 42.33 1x67 n LEU 12 CO 0.32 0.90 -1.08 -1.20 -1.22 0.00 0.00 177.39 175.12 1x67 n SER 13 N -0.15 1.97 -0.01 -1.43 7.64 -1.26 -3.54 113.62 116.84 1x67 n SER 13 Ca 0.10 0.24 -0.10 0.00 1.01 0.00 0.00 58.87 60.12 1x67 n SER 13 Cb 0.96 -0.78 -0.03 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.60 -0.32 -1.60 1.43 3.08 -1.94 -2.50 114.38 111.93 1x67 h ARG 14 Ca -0.54 0.02 -0.70 0.00 0.07 0.00 0.00 59.98 58.84 1x67 h ARG 14 Cb 1.67 0.07 -0.32 0.00 0.08 0.00 0.00 29.97 31.47 1x67 h ARG 14 CO -0.21 -0.21 0.51 0.09 -1.07 0.00 0.00 179.97 179.08 1x67 n ASN 15 N -5.39 6.78 0.00 7.04 3.02 -1.26 -4.83 115.26 120.63 1x67 n ASN 15 Ca -0.03 -3.80 0.00 0.00 -0.03 0.00 0.00 54.58 50.73 1x67 n ASN 15 Cb 0.30 -0.87 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 1x67 n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x67 n GLY 16 N -0.62 -2.63 0.28 7.41 0.00 -0.94 -0.12 105.19 108.57 1x67 n GLY 16 Ca 0.52 0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.74 1x67 n GLY 16 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1x67 h PRO 17 N 0.00 0.48 -0.06 1.61 0.11 -1.88 0.18 132.00 132.44 1x67 h PRO 17 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1x67 h PRO 17 Cb 0.00 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.00 1x67 h PRO 17 CO 0.00 0.32 0.04 0.00 -0.21 0.00 0.00 178.00 178.15 1x67 h ALA 18 N 1.53 0.08 -0.21 -0.75 0.00 -1.91 -0.10 119.26 117.89 1x67 h ALA 18 Ca 0.41 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1x67 h ALA 18 Cb 0.58 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1x67 h ALA 18 CO -0.37 -0.41 0.07 -0.07 0.00 0.00 0.00 179.25 178.46 1x67 h LEU 19 N 0.06 0.31 -2.09 0.00 3.38 0.21 -2.52 115.31 114.66 1x67 h LEU 19 Ca 0.02 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1x67 h LEU 19 Cb 0.02 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1x67 h LEU 19 CO -0.00 0.43 -0.02 -0.61 0.09 0.00 0.00 178.44 178.33 1x67 h GLN 20 N 0.17 0.00 0.01 1.13 4.15 -0.55 -2.55 115.11 117.47 1x67 h GLN 20 Ca 0.07 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 1x67 h GLN 20 Cb 0.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1x67 h GLN 20 CO -0.00 0.02 -0.00 1.49 -1.93 0.00 0.00 178.83 178.41 1x67 h GLU 21 N 0.00 -0.01 -0.01 1.69 4.81 -0.59 0.20 114.58 120.68 1x67 h GLU 21 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1x67 h GLU 21 Cb 0.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1x67 h GLU 21 CO 0.00 0.36 0.05 0.00 -0.73 0.00 0.00 179.01 178.69 1x67 h ALA 22 N 0.62 1.20 0.00 2.92 0.00 -1.17 0.25 119.26 123.07 1x67 h ALA 22 Ca -0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1x67 h ALA 22 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1x67 h ALA 22 CO 0.00 -0.06 -1.10 0.98 0.00 0.00 0.00 179.25 179.07 1x67 n TYR 23 N -3.26 0.90 0.30 0.00 4.19 -1.06 -3.71 117.16 114.53 1x67 n TYR 23 Ca -0.03 0.39 0.19 0.00 3.31 0.00 0.00 57.90 61.76 1x67 n TYR 23 Cb 0.13 -0.98 0.95 0.00 0.49 0.00 0.00 39.34 39.93 1x67 n TYR 23 CO 0.00 0.00 0.00 -0.24 0.91 0.00 0.00 176.86 177.53 1x67 h VAL 24 N -1.00 0.15 -0.02 2.97 3.04 -0.36 -2.75 116.25 118.28 1x67 h VAL 24 Ca -0.26 -0.26 -0.02 0.00 -1.01 0.00 0.00 66.70 65.15 1x67 h VAL 24 Cb 1.07 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 1x67 h VAL 24 CO -0.15 0.03 -0.08 0.03 -1.01 0.00 0.00 177.57 176.38 1x67 h ARG 25 N 0.00 0.08 -0.69 4.17 3.08 -0.68 -2.40 114.38 117.95 1x67 h ARG 25 Ca -0.00 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.05 1x67 h ARG 25 Cb 0.22 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 1x67 h ARG 25 CO 0.00 0.73 0.38 0.28 -1.07 0.00 0.00 179.97 180.29 1x67 h VAL 26 N -0.54 0.96 0.00 2.04 2.07 -1.57 -0.64 116.25 118.56 1x67 h VAL 26 Ca -0.01 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 1x67 h VAL 26 Cb 0.74 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1x67 h VAL 26 CO 0.02 0.13 -0.23 -0.37 0.02 0.00 0.00 177.57 177.13 1x67 h VAL 27 N 0.69 0.64 -3.58 2.57 -1.51 -1.59 -3.41 116.25 110.06 1x67 h VAL 27 Ca 0.31 -1.03 -0.63 0.00 -1.23 0.00 0.00 66.70 64.11 1x67 h VAL 27 Cb 0.21 1.67 -0.13 0.00 -2.13 0.00 0.00 31.29 30.91 1x67 h VAL 27 CO -0.19 0.22 0.22 -0.89 -1.23 0.00 0.00 177.57 175.70 1x67 s THR 28 N -3.82 4.79 -0.01 7.19 2.01 -0.25 -4.91 115.64 120.64 1x67 s THR 28 Ca -0.01 0.45 0.24 0.00 0.31 0.00 0.00 61.69 62.69 1x67 s THR 28 Cb 0.11 -4.19 0.25 0.00 0.01 0.00 0.00 72.50 68.69 1x67 s THR 28 CO 0.63 -0.51 1.76 1.05 -0.69 0.00 0.00 174.62 176.86 1x67 h GLU 29 N 8.71 0.00 -0.13 4.92 4.11 -1.80 -3.27 114.58 127.12 1x67 h GLU 29 Ca -0.25 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.22 1x67 h GLU 29 Cb 1.10 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.29 1x67 h GLU 29 CO 0.89 0.19 -0.31 -0.22 0.07 0.00 0.00 179.01 179.63 1x67 h LYS 30 N 0.00 -0.37 -6.99 1.06 3.64 -1.91 -3.42 116.57 108.58 1x67 h LYS 30 Ca -0.00 0.03 -0.48 0.00 -1.27 0.00 0.00 60.65 58.92 1x67 h LYS 30 Cb 0.85 0.08 0.04 0.00 -0.41 0.00 0.00 32.23 32.79 1x67 h LYS 30 CO 0.02 -0.25 0.12 -1.12 -2.27 0.00 0.00 179.45 175.96 1x67 s SER 31 N -4.93 5.93 -0.77 4.20 0.01 -1.24 -5.01 113.70 111.89 1x67 s SER 31 Ca -0.15 0.78 -0.26 0.00 1.31 0.00 0.00 55.95 57.62 1x67 s SER 31 Cb 0.10 -1.95 0.03 0.00 0.21 0.00 0.00 66.02 64.42 1x67 s SER 31 CO 0.66 -0.80 1.33 -2.16 0.41 0.00 0.00 173.24 172.68 1x67 s PRO 32 N -4.83 3.22 -0.30 12.44 0.04 -1.26 -4.90 135.00 139.41 1x67 s PRO 32 Ca 0.50 -0.33 0.05 0.00 0.04 0.00 0.00 61.00 61.26 1x67 s PRO 32 Cb -0.10 -4.35 0.20 0.00 0.04 0.00 0.00 34.50 30.29 1x67 s PRO 32 CO 0.44 -2.18 0.63 0.99 0.04 0.00 0.00 177.00 176.92 1x67 s THR 33 N 5.77 -0.94 -0.12 1.26 2.01 -1.26 -4.36 115.64 117.99 1x67 s THR 33 Ca 0.38 0.00 0.18 0.00 0.31 0.00 0.00 61.69 62.55 1x67 s THR 33 Cb -0.07 -0.83 -0.21 0.00 0.01 0.00 0.00 72.50 71.40 1x67 s THR 33 CO 0.12 0.00 0.54 0.47 -0.69 0.00 0.00 174.62 175.06 1x67 n ASP 34 N 5.28 0.48 -3.46 3.53 8.00 -0.26 -4.21 116.55 125.90 1x67 n ASP 34 Ca 0.06 0.21 -0.18 0.00 0.71 0.00 0.00 54.79 55.59 1x67 n ASP 34 Cb 0.55 0.68 -0.08 0.00 -0.02 0.00 0.00 41.12 42.25 1x67 n ASP 34 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 1x67 s TRP 35 N -2.88 1.59 -0.30 1.24 1.48 -1.04 -1.75 118.94 117.28 1x67 s TRP 35 Ca -0.06 -1.58 -0.12 0.00 -1.06 0.00 0.00 56.10 53.28 1x67 s TRP 35 Cb 0.09 -0.62 0.16 0.00 -1.16 0.00 0.00 33.47 31.94 1x67 s TRP 35 CO 0.83 -0.87 0.87 0.00 -4.06 0.00 0.00 176.95 173.72 1x67 s ALA 36 N -3.50 -2.55 0.02 2.67 0.00 -0.92 -3.91 121.76 113.57 1x67 s ALA 36 Ca 0.39 2.06 -0.01 0.00 0.00 0.00 0.00 51.96 54.40 1x67 s ALA 36 Cb 0.03 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 1x67 s ALA 36 CO 0.25 -1.03 0.17 -1.17 0.00 0.00 0.00 175.76 173.98 1x67 s LEU 37 N 2.65 4.25 -0.06 0.00 2.96 0.59 -1.25 118.68 127.81 1x67 s LEU 37 Ca -0.01 0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 54.15 1x67 s LEU 37 Cb -0.09 -2.65 0.03 0.00 0.50 0.00 0.00 46.19 43.98 1x67 s LEU 37 CO -0.18 0.23 0.01 -0.36 -1.32 0.00 0.00 176.35 174.74 1x67 s PHE 38 N -1.36 0.48 0.23 5.38 0.40 -0.43 -1.33 117.98 121.35 1x67 s PHE 38 Ca 0.29 -0.04 0.02 0.00 -0.60 0.00 0.00 56.93 56.60 1x67 s PHE 38 Cb -0.13 -0.67 -0.05 0.00 0.51 0.00 0.00 43.02 42.68 1x67 s PHE 38 CO 0.21 -0.26 0.03 -0.08 0.70 0.00 0.00 175.22 175.82 1x67 s THR 39 N 1.86 0.80 1.02 0.64 -1.32 -0.09 -1.78 115.64 116.77 1x67 s THR 39 Ca 0.02 -2.01 -0.12 0.00 -1.21 0.00 0.00 61.69 58.37 1x67 s THR 39 Cb -0.12 -2.40 0.20 0.00 -1.51 0.00 0.00 72.50 68.67 1x67 s THR 39 CO -0.04 -0.25 1.08 -0.31 -2.21 0.00 0.00 174.62 172.89 1x67 s TYR 40 N -3.58 1.98 -0.14 9.09 1.51 -1.26 -0.12 117.35 124.83 1x67 s TYR 40 Ca 0.30 1.05 -0.13 0.00 -1.01 0.00 0.00 57.07 57.28 1x67 s TYR 40 Cb 0.07 -3.23 -0.10 0.00 -0.11 0.00 0.00 41.96 38.59 1x67 s TYR 40 CO 0.09 -3.03 0.15 1.49 -1.11 0.00 0.00 175.55 173.14 1x67 h GLU 41 N -2.00 0.00 0.00 -0.62 4.81 -1.65 -3.43 114.58 111.69 1x67 h GLU 41 Ca -0.55 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1x67 h GLU 41 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1x67 h GLU 41 CO 0.56 0.43 0.00 0.41 -0.73 0.00 0.00 179.01 179.68 1x67 n GLY 42 N 1.62 3.63 2.27 1.92 0.00 -1.26 -5.01 105.19 108.36 1x67 n GLY 42 Ca -0.11 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 1x67 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x67 n ASN 43 N 0.00 7.36 -3.94 1.61 3.02 -1.26 -4.92 115.26 117.12 1x67 n ASN 43 Ca 0.00 -3.59 -0.10 0.00 -0.03 0.00 0.00 54.58 50.86 1x67 n ASN 43 Cb 0.00 -1.01 -0.06 0.00 -0.61 0.00 0.00 39.78 38.09 1x67 n ASN 43 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1x67 s SER 44 N -1.20 -0.02 -0.51 6.41 1.04 -1.26 -5.11 113.70 113.04 1x67 s SER 44 Ca 0.55 -0.84 -0.29 0.00 0.48 0.00 0.00 55.95 55.85 1x67 s SER 44 Cb 0.43 0.48 0.02 0.00 0.10 0.00 0.00 66.02 67.06 1x67 s SER 44 CO -0.05 -0.96 1.26 0.20 0.98 0.00 0.00 173.24 174.68 1x67 s ASN 45 N -2.97 6.43 -0.30 7.02 0.01 -1.26 -4.60 114.94 119.28 1x67 s ASN 45 Ca 0.18 0.41 -0.16 0.00 -0.71 0.00 0.00 52.86 52.58 1x67 s ASN 45 Cb 0.02 -2.55 0.18 0.00 0.41 0.00 0.00 41.25 39.31 1x67 s ASN 45 CO 0.02 -1.43 1.17 -1.81 -1.51 0.00 0.00 177.10 173.54 1x67 s ASP 46 N 3.24 -0.07 0.33 -1.22 1.01 -1.26 -4.33 116.67 114.37 1x67 s ASP 46 Ca 0.50 0.01 -0.27 0.00 0.71 0.00 0.00 52.55 53.50 1x67 s ASP 46 Cb -0.09 1.04 -0.09 0.00 1.01 0.00 0.00 42.92 44.79 1x67 s ASP 46 CO 0.29 -0.01 1.06 -0.63 0.21 0.00 0.00 175.17 176.09 1x67 s ILE 47 N 2.99 3.64 0.11 0.77 -1.09 -0.66 -1.98 121.20 124.97 1x67 s ILE 47 Ca 0.33 1.45 -0.15 0.00 -2.23 0.00 0.00 60.65 60.05 1x67 s ILE 47 Cb 0.01 -3.85 0.03 0.00 -1.58 0.00 0.00 42.46 37.06 1x67 s ILE 47 CO -0.22 0.20 0.37 0.00 -1.23 0.00 0.00 174.94 174.06 1x67 s ARG 48 N -1.92 1.01 0.43 2.79 1.70 0.84 -4.74 118.95 119.06 1x67 s ARG 48 Ca 0.50 -0.69 -0.24 0.00 -0.47 0.00 0.00 55.73 54.84 1x67 s ARG 48 Cb -0.27 0.44 -0.11 0.00 -0.57 0.00 0.00 34.95 34.45 1x67 s ARG 48 CO 0.34 -0.38 0.93 0.28 -1.08 0.00 0.00 175.30 175.39 1x67 n VAL 49 N -0.09 2.39 0.00 4.99 0.31 -1.26 -0.91 118.33 123.76 1x67 n VAL 49 Ca -0.16 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 1x67 n VAL 49 Cb 0.63 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 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 -0.60 1.92 -3.62 3.52 0.00 -0.44 -4.60 120.51 116.69 1x67 n ALA 50 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.48 1x67 n ALA 50 Cb 0.39 0.32 -0.06 0.00 0.00 0.00 0.00 19.45 20.10 1x67 n ALA 50 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x67 s GLY 51 N -3.28 -0.01 -0.14 0.00 0.00 -1.20 -4.96 107.32 97.72 1x67 s GLY 51 Ca 0.00 2.74 -0.13 0.00 0.00 0.00 0.00 44.72 47.34 1x67 s GLY 51 CO 0.00 1.49 0.38 -0.51 0.00 0.00 0.00 173.10 174.46 1x67 s THR 52 N -0.45 -0.00 -0.02 0.90 -4.23 -1.26 -0.30 115.64 110.27 1x67 s THR 52 Ca 0.04 0.01 -0.30 0.00 -1.18 0.00 0.00 61.69 60.26 1x67 s THR 52 Cb -0.03 -0.54 0.11 0.00 1.34 0.00 0.00 72.50 73.39 1x67 s THR 52 CO -0.07 0.00 1.30 -0.83 -0.54 0.00 0.00 174.62 174.49 1x67 s GLY 53 N 0.33 -0.32 -0.33 3.99 0.00 -1.25 -5.02 107.32 104.72 1x67 s GLY 53 Ca -0.01 0.48 0.09 0.00 0.00 0.00 0.00 44.72 45.28 1x67 s GLY 53 CO -0.01 2.11 1.73 -2.21 0.00 0.00 0.00 173.10 174.71 1x67 n GLU 54 N -0.64 2.94 0.24 2.90 2.13 -1.26 -1.10 120.64 125.85 1x67 n GLU 54 Ca -0.04 -3.07 0.12 0.00 0.66 0.00 0.00 57.16 54.83 1x67 n GLU 54 Cb 0.61 -2.09 0.55 0.00 0.27 0.00 0.00 31.44 30.78 1x67 n GLU 54 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1x67 h GLY 55 N 1.87 0.00 0.00 8.31 0.00 -1.96 -3.44 103.07 107.85 1x67 h GLY 55 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1x67 h GLY 55 CO 0.70 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.85 1x67 n GLY 56 N 0.04 0.50 0.10 4.60 0.00 -1.26 -4.29 105.19 104.88 1x67 n GLY 56 Ca 0.00 -1.75 -0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 0.00 -0.97 0.99 3.38 -1.95 -2.83 115.31 113.94 1x67 h LEU 57 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1x67 h LEU 57 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1x67 h LEU 57 CO 0.00 0.60 -0.38 -0.33 0.09 0.00 0.00 178.44 178.42 1x67 h GLU 58 N 0.00 0.26 0.00 1.13 5.08 -1.95 -2.57 114.58 116.53 1x67 h GLU 58 Ca -0.13 -0.12 -0.19 0.00 -1.00 0.00 0.00 59.36 57.93 1x67 h GLU 58 Cb 1.57 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.78 1x67 h GLU 58 CO 0.06 0.61 -1.51 -1.91 -1.00 0.00 0.00 179.01 175.25 1x67 n GLU 59 N -4.05 0.63 -0.17 2.33 4.07 -1.25 -3.37 120.64 118.84 1x67 n GLU 59 Ca -0.01 0.21 -0.10 0.00 -0.06 0.00 0.00 57.16 57.20 1x67 n GLU 59 Cb 0.46 -1.78 0.00 0.00 -0.06 0.00 0.00 31.44 30.06 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 0.83 0.00 5.31 4.05 -1.38 -2.90 114.93 120.84 1x67 h MET 60 Ca -0.19 -0.26 -0.11 0.00 -0.28 0.00 0.00 59.70 58.86 1x67 h MET 60 Cb 1.65 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 32.35 1x67 h MET 60 CO 0.05 0.87 -0.51 -0.39 0.23 0.00 0.00 176.91 177.15 1x67 h VAL 61 N 0.69 0.97 0.00 -5.77 -1.51 -1.62 -3.15 116.25 105.86 1x67 h VAL 61 Ca 0.14 -2.10 -0.01 0.00 -1.23 0.00 0.00 66.70 63.49 1x67 h VAL 61 Cb 0.48 2.29 -0.00 0.00 -2.13 0.00 0.00 31.29 31.93 1x67 h VAL 61 CO 0.02 0.50 -0.05 -0.33 -1.23 0.00 0.00 177.57 176.49 1x67 h GLU 62 N 0.00 0.00 0.04 5.19 4.39 -1.52 -1.66 114.58 121.02 1x67 h GLU 62 Ca -0.01 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.45 1x67 h GLU 62 Cb 1.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 1x67 h GLU 62 CO 0.07 0.05 -1.19 0.93 -1.16 0.00 0.00 179.01 177.70 1x67 h GLU 63 N 0.00 0.08 -6.26 2.33 4.39 -1.50 -3.46 114.58 110.16 1x67 h GLU 63 Ca -0.00 -0.13 -0.66 0.00 0.34 0.00 0.00 59.36 58.91 1x67 h GLU 63 Cb 0.11 0.05 0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1x67 h GLU 63 CO 0.01 0.99 0.92 1.28 -1.16 0.00 0.00 179.01 181.04 1x67 n LEU 64 N -3.36 2.84 -4.29 1.33 4.77 -0.63 -4.94 117.00 112.73 1x67 n LEU 64 Ca -0.05 1.04 -0.38 0.00 -0.03 0.00 0.00 56.01 56.59 1x67 n LEU 64 Cb 0.98 -1.28 -0.12 0.00 -2.33 0.00 0.00 43.42 40.66 1x67 n LEU 64 CO 0.48 -0.33 -0.26 0.21 -1.33 0.00 0.00 177.39 176.17 1x67 s ASN 65 N 3.03 5.27 -0.50 -1.43 3.84 -1.26 -5.04 114.94 118.86 1x67 s ASN 65 Ca 0.92 -1.04 -0.26 0.00 0.21 0.00 0.00 52.86 52.69 1x67 s ASN 65 Cb -0.84 -1.87 -0.07 0.00 -0.55 0.00 0.00 41.25 37.91 1x67 s ASN 65 CO 0.54 -0.30 2.42 -0.94 -2.79 0.00 0.00 177.10 176.03 1x67 s SER 66 N 1.43 4.40 0.00 -4.21 1.04 -1.26 -2.49 113.70 112.60 1x67 s SER 66 Ca -0.01 1.05 0.00 0.00 0.48 0.00 0.00 55.95 57.48 1x67 s SER 66 Cb -0.19 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1x67 s SER 66 CO 0.03 -2.93 0.00 0.61 0.98 0.00 0.00 173.24 171.93 1x67 n GLY 67 N 6.03 0.30 3.12 7.32 0.00 -1.26 -4.19 105.19 116.51 1x67 n GLY 67 Ca 0.37 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.23 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 0.72 -0.03 1.61 1.02 -1.04 -2.04 119.74 119.98 1x67 s LYS 68 Ca 0.00 -0.85 -0.29 0.00 0.02 0.00 0.00 55.97 54.86 1x67 s LYS 68 Cb 0.00 -0.64 -0.03 0.00 -0.52 0.00 0.00 37.83 36.64 1x67 s LYS 68 CO 0.00 0.14 0.93 0.08 -0.92 0.00 0.00 175.35 175.58 1x67 s VAL 69 N -1.24 4.89 0.20 3.17 1.01 -1.26 -4.06 120.40 123.11 1x67 s VAL 69 Ca -0.04 1.93 -0.02 0.00 0.00 0.00 0.00 61.98 63.84 1x67 s VAL 69 Cb -0.10 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1x67 s VAL 69 CO 0.01 0.15 0.17 -0.04 0.00 0.00 0.00 175.10 175.39 1x67 s MET 70 N 1.14 1.22 -0.08 2.72 -1.94 -1.13 -4.57 119.30 116.66 1x67 s MET 70 Ca 0.48 -1.56 0.02 0.00 -1.71 0.00 0.00 55.69 52.92 1x67 s MET 70 Cb -0.20 0.29 0.01 0.00 2.01 0.00 0.00 34.83 36.95 1x67 s MET 70 CO 0.24 -0.41 -0.14 0.71 -0.01 0.00 0.00 175.02 175.41 1x67 s TYR 71 N -4.13 1.68 -0.06 -0.03 1.51 -0.74 -1.73 117.35 113.86 1x67 s TYR 71 Ca 0.36 -0.67 -0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1x67 s TYR 71 Cb 0.06 -1.22 -0.03 0.00 -0.11 0.00 0.00 41.96 40.66 1x67 s TYR 71 CO 0.11 -0.34 -0.02 0.00 -1.11 0.00 0.00 175.55 174.19 1x67 s ALA 72 N 0.72 3.19 -0.35 3.71 0.00 -0.99 -1.31 121.76 126.73 1x67 s ALA 72 Ca -0.13 -0.86 -0.00 0.00 0.00 0.00 0.00 51.96 50.97 1x67 s ALA 72 Cb -0.16 -1.37 0.12 0.00 0.00 0.00 0.00 23.12 21.71 1x67 s ALA 72 CO 0.03 0.60 0.17 0.12 0.00 0.00 0.00 175.76 176.68 1x67 s PHE 73 N -0.90 1.29 0.50 0.00 5.36 -0.38 -2.69 117.98 121.16 1x67 s PHE 73 Ca 0.14 -1.76 0.06 0.00 -0.96 0.00 0.00 56.93 54.41 1x67 s PHE 73 Cb -0.11 -1.42 0.04 0.00 -0.34 0.00 0.00 43.02 41.19 1x67 s PHE 73 CO 0.04 -0.83 0.69 0.00 -1.46 0.00 0.00 175.22 173.66 1x67 s ARG 75 N -4.56 0.15 0.43 0.00 3.52 -0.72 -3.09 118.95 114.68 1x67 s ARG 75 Ca 0.58 0.15 0.03 0.00 -0.13 0.00 0.00 55.73 56.36 1x67 s ARG 75 Cb -0.09 -1.31 -0.02 0.00 -1.56 0.00 0.00 34.95 31.97 1x67 s ARG 75 CO 0.36 -0.64 0.11 0.14 -0.81 0.00 0.00 175.30 174.46 1x67 s VAL 76 N 2.28 0.70 -0.05 7.11 -7.23 -1.10 -4.95 120.40 117.16 1x67 s VAL 76 Ca 0.05 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.24 1x67 s VAL 76 Cb -0.16 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 1x67 s VAL 76 CO -0.11 0.00 -0.08 -1.59 -0.31 0.00 0.00 175.10 173.01 1x67 s LYS 77 N -3.73 2.65 0.84 4.82 -2.85 -1.26 -0.12 119.74 120.08 1x67 s LYS 77 Ca 0.21 -0.62 -0.11 0.00 -1.00 0.00 0.00 55.97 54.45 1x67 s LYS 77 Cb 0.02 -2.53 0.09 0.00 -2.06 0.00 0.00 37.83 33.36 1x67 s LYS 77 CO 0.13 0.64 1.09 -0.51 0.10 0.00 0.00 175.35 176.80 1x67 s ASP 78 N -0.96 3.95 -0.05 0.03 1.11 -0.97 -4.87 116.67 114.91 1x67 s ASP 78 Ca 0.13 1.66 -0.24 0.00 0.18 0.00 0.00 52.55 54.28 1x67 s ASP 78 Cb -0.11 -2.35 -0.23 0.00 1.07 0.00 0.00 42.92 41.31 1x67 s ASP 78 CO 0.03 -2.36 1.06 1.55 1.18 0.00 0.00 175.17 176.63 1x67 h PRO 79 N -1.36 0.16 0.00 8.23 0.13 -1.91 -2.47 132.00 134.78 1x67 h PRO 79 Ca -0.46 -0.15 -0.13 0.00 -0.87 0.00 0.00 66.00 64.38 1x67 h PRO 79 Cb 1.26 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1x67 h PRO 79 CO 0.53 0.86 -0.92 -0.91 -0.23 0.00 0.00 178.00 177.34 1x67 h ASN 80 N -0.49 0.00 -0.66 1.44 2.35 -1.94 -3.38 115.58 112.91 1x67 h ASN 80 Ca -0.02 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1x67 h ASN 80 Cb 0.92 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.26 1x67 h ASN 80 CO 0.04 1.17 0.40 0.77 -1.65 0.00 0.00 177.43 178.16 1x67 h SER 81 N -1.00 0.80 -1.00 5.81 4.64 -1.96 -3.45 113.55 117.39 1x67 h SER 81 Ca -0.20 -0.04 -0.41 0.00 -0.47 0.00 0.00 61.79 60.67 1x67 h SER 81 Cb 0.96 -0.20 -0.16 0.00 -0.31 0.00 0.00 62.40 62.69 1x67 h SER 81 CO -0.12 0.62 -0.38 0.61 -0.87 0.00 0.00 176.83 176.69 1x67 n GLY 82 N -1.31 1.87 3.78 -0.77 0.00 -0.93 -4.91 105.19 102.92 1x67 n GLY 82 Ca 0.07 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.59 3.77 -0.39 0.99 1.43 -1.26 -4.70 118.68 113.93 1x67 s LEU 83 Ca 0.00 -0.10 -0.28 0.00 -1.03 0.00 0.00 54.13 52.71 1x67 s LEU 83 Cb 0.00 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 1x67 s LEU 83 CO 0.00 0.10 1.78 -2.16 0.23 0.00 0.00 176.35 176.30 1x67 s PRO 84 N -2.86 3.22 0.35 1.29 0.04 -1.26 -2.30 135.00 133.48 1x67 s PRO 84 Ca 0.30 1.23 0.08 0.00 0.04 0.00 0.00 61.00 62.65 1x67 s PRO 84 Cb -0.11 -4.22 -0.03 0.00 0.04 0.00 0.00 34.50 30.19 1x67 s PRO 84 CO 0.23 -2.00 0.28 0.15 0.04 0.00 0.00 177.00 175.70 1x67 s LYS 85 N 5.86 2.63 -0.00 4.56 -0.14 0.82 -4.97 119.74 128.50 1x67 s LYS 85 Ca 0.76 -1.39 0.07 0.00 -1.36 0.00 0.00 55.97 54.05 1x67 s LYS 85 Cb -0.20 -2.40 -0.03 0.00 -1.68 0.00 0.00 37.83 33.52 1x67 s LYS 85 CO 0.31 0.04 -0.21 -0.06 -0.76 0.00 0.00 175.35 174.67 1x67 s PHE 86 N -2.36 2.49 0.05 3.18 0.08 -1.26 -2.71 117.98 117.44 1x67 s PHE 86 Ca 0.42 -0.31 0.08 0.00 0.12 0.00 0.00 56.93 57.24 1x67 s PHE 86 Cb -0.05 -1.51 -0.03 0.00 -0.57 0.00 0.00 43.02 40.87 1x67 s PHE 86 CO 0.26 0.12 -0.23 0.08 -0.10 0.00 0.00 175.22 175.36 1x67 s VAL 87 N -0.76 1.85 -0.17 -0.44 1.01 -1.18 -0.11 120.40 120.60 1x67 s VAL 87 Ca 0.12 -1.28 0.01 0.00 0.00 0.00 0.00 61.98 60.83 1x67 s VAL 87 Cb -0.10 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.70 1x67 s VAL 87 CO 0.02 0.26 -0.19 -0.22 0.00 0.00 0.00 175.10 174.96 1x67 s LEU 88 N -1.22 2.04 -0.12 3.92 1.98 -0.61 -3.60 118.68 121.08 1x67 s LEU 88 Ca 0.09 -0.61 0.02 0.00 -2.89 0.00 0.00 54.13 50.74 1x67 s LEU 88 Cb -0.09 -1.42 -0.00 0.00 0.66 0.00 0.00 46.19 45.34 1x67 s LEU 88 CO 0.02 -0.01 -0.20 -0.63 -1.89 0.00 0.00 176.35 173.64 1x67 s ILE 89 N 1.31 2.39 -1.15 6.68 1.01 -1.09 -0.66 121.20 129.69 1x67 s ILE 89 Ca 0.04 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 59.70 1x67 s ILE 89 Cb -0.13 -1.95 0.25 0.00 0.01 0.00 0.00 42.46 40.63 1x67 s ILE 89 CO -0.12 0.55 1.24 0.59 0.00 0.00 0.00 174.94 177.20 1x67 n ASN 90 N 3.60 5.47 -4.65 3.58 3.02 -0.36 -2.33 115.26 123.59 1x67 n ASN 90 Ca -0.19 -3.04 -0.50 0.00 -0.03 0.00 0.00 54.58 50.82 1x67 n ASN 90 Cb 0.53 -1.43 -0.05 0.00 -0.61 0.00 0.00 39.78 38.21 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 3.47 2.02 -3.43 3.10 -0.00 -0.70 -3.95 117.44 117.96 1x67 n TRP 91 Ca 0.28 0.37 -0.27 0.00 -0.00 0.00 0.00 57.50 57.88 1x67 n TRP 91 Cb 0.40 -2.49 -0.10 0.00 -0.00 0.00 0.00 31.31 29.12 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 1.76 0.51 1.12 5.87 2.01 -1.23 -2.82 115.64 122.87 1x67 s THR 92 Ca 0.86 -2.76 -0.18 0.00 0.31 0.00 0.00 61.69 59.92 1x67 s THR 92 Cb -0.82 -1.36 0.13 0.00 0.01 0.00 0.00 72.50 70.46 1x67 s THR 92 CO 0.47 -1.22 0.10 0.61 -0.69 0.00 0.00 174.62 173.89 1x67 n GLY 93 N 2.79 -2.57 0.12 4.40 0.00 -1.25 -4.39 105.19 104.28 1x67 n GLY 93 Ca 0.29 -0.84 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 1x67 n GLY 93 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x67 n GLU 94 N -2.24 0.71 -0.35 1.61 1.02 -1.26 -4.18 120.64 115.94 1x67 n GLU 94 Ca 0.02 0.27 0.12 0.00 -0.02 0.00 0.00 57.16 57.55 1x67 n GLU 94 Cb 0.58 -1.74 0.30 0.00 -0.02 0.00 0.00 31.44 30.56 1x67 n GLU 94 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1x67 h GLY 95 N 2.10 1.72 -5.26 0.62 0.00 -1.83 -3.41 103.07 97.01 1x67 h GLY 95 Ca -0.37 -0.37 -0.57 0.00 0.00 0.00 0.00 47.33 46.02 1x67 h GLY 95 CO 0.08 0.00 1.06 1.55 0.00 0.00 0.00 176.54 179.23 1x67 n VAL 96 N -4.71 0.40 -0.52 4.60 3.14 -0.87 -4.89 118.33 115.48 1x67 n VAL 96 Ca 0.22 -0.07 -0.29 0.00 -2.96 0.00 0.00 64.34 61.24 1x67 n VAL 96 Cb 0.51 -1.95 0.25 0.00 -1.06 0.00 0.00 33.84 31.59 1x67 n VAL 96 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1x67 s ASN 97 N 2.93 1.06 0.19 6.55 4.22 -1.26 -4.85 114.94 123.79 1x67 s ASN 97 Ca 0.85 1.62 0.06 0.00 -2.14 0.00 0.00 52.86 53.26 1x67 s ASN 97 Cb -0.58 -2.36 0.08 0.00 1.28 0.00 0.00 41.25 39.67 1x67 s ASN 97 CO 0.42 -4.17 1.44 0.44 -2.04 0.00 0.00 177.10 173.20 1x67 h ASP 98 N -2.60 0.11 -0.02 3.54 3.32 -1.93 -2.94 116.42 115.90 1x67 h ASP 98 Ca -0.60 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.37 1x67 h ASP 98 Cb 1.33 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 1x67 h ASP 98 CO 0.49 0.86 0.02 0.58 -1.72 0.00 0.00 179.24 179.47 1x67 h VAL 99 N 0.05 0.53 0.10 -1.35 2.07 -2.00 -2.02 116.25 113.62 1x67 h VAL 99 Ca -0.02 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.17 1x67 h VAL 99 Cb 1.41 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 1x67 h VAL 99 CO 0.11 0.00 -1.78 -0.09 0.02 0.00 0.00 177.57 175.84 1x67 h ARG 100 N 0.00 0.21 -0.32 1.57 9.65 -1.91 -3.25 114.38 120.34 1x67 h ARG 100 Ca 0.01 -0.35 0.09 0.00 -1.10 0.00 0.00 59.98 58.63 1x67 h ARG 100 Cb 0.04 0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 1x67 h ARG 100 CO -0.00 1.17 0.23 0.87 2.80 0.00 0.00 179.97 185.04 1x67 h LYS 101 N -0.21 0.00 0.00 0.20 1.57 -1.28 0.10 116.57 116.96 1x67 h LYS 101 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1x67 h LYS 101 Cb 1.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.16 1x67 h LYS 101 CO 0.02 0.00 -0.59 0.78 -0.57 0.00 0.00 179.45 179.09 1x67 h GLY 102 N 0.00 0.00 1.09 3.86 0.00 -1.52 -3.20 103.07 103.30 1x67 h GLY 102 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.33 1x67 h GLY 102 CO -0.00 0.00 -1.29 0.00 0.00 0.00 0.00 176.54 175.25 1x67 h ALA 103 N 2.04 0.64 0.00 3.60 0.00 -0.96 -3.34 119.26 121.25 1x67 h ALA 103 Ca 0.00 -0.75 -0.13 0.00 0.00 0.00 0.00 54.91 54.04 1x67 h ALA 103 Cb 0.98 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1x67 h ALA 103 CO 0.00 0.83 -0.65 0.00 0.00 0.00 0.00 179.25 179.43 1x67 h ALA 105 N 1.42 1.47 0.00 0.00 0.00 -1.67 0.30 119.26 120.78 1x67 h ALA 105 Ca -0.02 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1x67 h ALA 105 Cb 1.46 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1x67 h ALA 105 CO 0.07 -0.06 -0.36 0.66 0.00 0.00 0.00 179.25 179.56 1x67 h SER 106 N 0.70 0.00 0.64 0.00 4.64 -1.77 -2.87 113.55 114.89 1x67 h SER 106 Ca 0.52 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.61 1x67 h SER 106 Cb 0.77 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 1x67 h SER 106 CO -0.37 0.36 -1.05 0.45 -0.87 0.00 0.00 176.83 175.35 1x67 h HIS 107 N 0.00 0.37 -0.89 4.77 3.86 -0.67 -3.25 115.15 119.34 1x67 h HIS 107 Ca -0.00 -0.24 0.22 0.00 -1.16 0.00 0.00 60.37 59.19 1x67 h HIS 107 Cb 0.72 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 29.10 1x67 h HIS 107 CO 0.00 1.12 0.60 0.28 0.86 0.00 0.00 177.93 180.80 1x67 h VAL 108 N 0.09 0.64 -0.76 2.45 2.07 -0.68 0.16 116.25 120.21 1x67 h VAL 108 Ca -0.08 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.41 1x67 h VAL 108 Cb 1.74 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 1x67 h VAL 108 CO 0.16 0.05 0.50 0.28 0.02 0.00 0.00 177.57 178.59 1x67 h SER 109 N 0.28 0.71 0.11 0.57 0.02 -1.64 0.21 113.55 113.81 1x67 h SER 109 Ca 0.46 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.27 1x67 h SER 109 Cb 1.33 -0.15 0.02 0.00 0.14 0.00 0.00 62.40 63.74 1x67 h SER 109 CO -0.13 0.46 -0.62 0.74 -1.14 0.00 0.00 176.83 176.14 1x67 h THR 110 N 0.81 1.58 -0.35 -2.27 2.02 -0.90 -3.26 112.91 110.55 1x67 h THR 110 Ca 0.33 -2.49 0.01 0.00 0.77 0.00 0.00 66.41 65.03 1x67 h THR 110 Cb 0.25 3.25 -0.02 0.00 -1.74 0.00 0.00 68.15 69.89 1x67 h THR 110 CO -0.11 0.69 0.20 0.24 0.37 0.00 0.00 175.52 176.91 1x67 h MET 111 N -0.53 0.40 -0.80 6.66 2.07 -1.08 -2.11 114.93 119.54 1x67 h MET 111 Ca -0.11 -0.02 0.14 0.00 -2.07 0.00 0.00 59.70 57.64 1x67 h MET 111 Cb 1.49 -0.09 -0.09 0.00 -1.87 0.00 0.00 31.60 31.03 1x67 h MET 111 CO 0.11 0.27 0.37 0.00 1.07 0.00 0.00 176.91 178.73 1x67 h ALA 112 N 1.16 1.17 -0.32 6.32 0.00 -0.73 -1.00 119.26 125.86 1x67 h ALA 112 Ca 0.14 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1x67 h ALA 112 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1x67 h ALA 112 CO -0.07 -0.15 0.08 0.77 0.00 0.00 0.00 179.25 179.88 1x67 h SER 113 N 0.53 0.49 0.25 0.00 0.02 -1.48 -3.20 113.55 110.16 1x67 h SER 113 Ca 0.44 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1x67 h SER 113 Cb 0.64 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 1x67 h SER 113 CO -0.38 0.60 -0.32 0.15 -1.14 0.00 0.00 176.83 175.74 1x67 h PHE 114 N 0.36 -0.86 0.00 3.45 3.57 -0.60 -2.97 116.94 119.89 1x67 h PHE 114 Ca 0.10 0.01 -0.63 0.00 3.53 0.00 0.00 57.97 60.98 1x67 h PHE 114 Cb 0.30 0.34 0.02 0.00 2.79 0.00 0.00 35.95 39.41 1x67 h PHE 114 CO 0.02 -0.44 3.54 1.28 -2.23 0.00 0.00 178.31 180.47 1x67 n LEU 115 N -5.43 8.43 -4.60 0.59 4.77 -0.49 -4.94 117.00 115.33 1x67 n LEU 115 Ca -0.08 -4.24 -0.29 0.00 -0.03 0.00 0.00 56.01 51.37 1x67 n LEU 115 Cb 0.33 -1.54 0.21 0.00 -2.33 0.00 0.00 43.42 40.10 1x67 n LEU 115 CO 0.27 2.01 0.60 -0.54 -1.33 0.00 0.00 177.39 178.40 1x67 s LYS 116 N 2.13 -0.41 0.00 3.23 -0.14 -1.12 -3.95 119.74 119.46 1x67 s LYS 116 Ca 0.69 0.40 0.00 0.00 -1.36 0.00 0.00 55.97 55.70 1x67 s LYS 116 Cb 0.19 -1.65 0.00 0.00 -1.68 0.00 0.00 37.83 34.69 1x67 s LYS 116 CO -0.06 -3.27 0.00 0.41 -0.76 0.00 0.00 175.35 171.67 1x67 n GLY 117 N -0.60 3.18 3.56 -3.33 0.00 -1.26 -5.00 105.19 101.74 1x67 n GLY 117 Ca 0.07 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.19 0.83 0.11 4.61 0.00 -1.25 -4.35 120.51 119.26 1x67 n ALA 118 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.52 1x67 n ALA 118 Cb 0.00 -2.49 -0.03 0.00 0.00 0.00 0.00 19.45 16.92 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 10.83 0.00 -3.14 0.00 3.86 -0.89 -3.46 115.15 122.35 1x67 h HIS 119 Ca -0.36 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 58.67 1x67 h HIS 119 Cb 1.31 0.00 -0.27 0.00 1.06 0.00 0.00 27.41 29.51 1x67 h HIS 119 CO 0.90 0.69 -0.45 0.08 0.86 0.00 0.00 177.93 180.01 1x67 s VAL 120 N -2.87 -0.01 -0.01 2.45 1.01 -1.22 -5.07 120.40 114.69 1x67 s VAL 120 Ca 0.03 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1x67 s VAL 120 Cb 0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1x67 s VAL 120 CO 0.77 0.01 -0.03 -0.89 0.00 0.00 0.00 175.10 174.97 1x67 s THR 121 N 0.40 3.94 -0.04 3.92 2.01 -1.26 -1.57 115.64 123.04 1x67 s THR 121 Ca -0.02 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.31 1x67 s THR 121 Cb -0.04 -2.73 0.03 0.00 0.01 0.00 0.00 72.50 69.77 1x67 s THR 121 CO -0.02 0.40 0.09 -0.63 -0.69 0.00 0.00 174.62 173.77 1x67 s ILE 122 N -1.03 -0.05 -0.72 1.82 1.01 0.17 -4.97 121.20 117.42 1x67 s ILE 122 Ca 0.18 0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.95 1x67 s ILE 122 Cb -0.11 -0.15 0.19 0.00 0.01 0.00 0.00 42.46 42.39 1x67 s ILE 122 CO 0.08 0.07 0.58 0.20 0.00 0.00 0.00 174.94 175.88 1x67 s ASN 123 N 1.00 5.78 0.35 3.58 0.01 -1.26 -1.22 114.94 123.18 1x67 s ASN 123 Ca -0.08 -2.92 0.00 0.00 -0.71 0.00 0.00 52.86 49.15 1x67 s ASN 123 Cb -0.11 -1.97 0.01 0.00 0.41 0.00 0.00 41.25 39.60 1x67 s ASN 123 CO -0.04 -0.40 0.09 0.00 -1.51 0.00 0.00 177.10 175.24 1x67 n ALA 124 N 3.48 0.04 0.00 0.60 0.00 -1.25 -4.97 120.51 118.40 1x67 n ALA 124 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1x67 n ALA 124 Cb 0.40 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.17 0.00 -3.41 0.00 1.74 -1.26 -3.47 116.66 109.09 1x67 n ARG 125 Ca 0.02 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.89 1x67 n ARG 125 Cb 0.06 -0.18 0.00 0.00 -1.02 0.00 0.00 32.46 31.33 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 -1.24 4.39 0.12 7.54 0.00 -1.26 -3.83 121.76 127.49 1x67 s ALA 126 Ca 0.00 -1.78 0.19 0.00 0.00 0.00 0.00 51.96 50.38 1x67 s ALA 126 Cb 0.00 -1.17 0.66 0.00 0.00 0.00 0.00 23.12 22.61 1x67 s ALA 126 CO 0.00 -0.45 1.72 0.93 0.00 0.00 0.00 175.76 177.96 1x67 h GLU 127 N 0.68 0.00 0.00 0.00 5.08 -1.96 -2.89 114.58 115.49 1x67 h GLU 127 Ca -0.37 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.93 1x67 h GLU 127 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1x67 h GLU 127 CO 0.51 0.36 -0.27 1.05 -1.00 0.00 0.00 179.01 179.66 1x67 h GLU 128 N 0.00 0.00 -0.84 2.33 4.11 -2.01 -2.93 114.58 115.24 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 0.92 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.05 1x67 h GLU 128 CO 0.05 0.27 0.26 -0.25 0.07 0.00 0.00 179.01 179.41 1x67 n ASP 129 N -3.34 4.15 -0.91 3.06 8.00 -1.09 -3.97 116.55 122.45 1x67 n ASP 129 Ca 0.01 -3.00 -0.01 0.00 0.71 0.00 0.00 54.79 52.49 1x67 n ASP 129 Cb 0.50 -0.71 -0.01 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 -0.17 0.00 -1.71 2.53 0.24 -1.11 -4.62 118.33 113.50 1x67 n VAL 130 Ca 0.35 -0.27 -0.30 0.00 -2.04 0.00 0.00 64.34 62.08 1x67 n VAL 130 Cb 1.22 0.52 0.05 0.00 -1.47 0.00 0.00 33.84 34.16 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 -4.84 118.70 130.96 1x67 s GLU 131 Ca 0.09 0.70 -0.23 0.00 0.01 0.00 0.00 54.97 55.54 1x67 s GLU 131 Cb 0.10 -2.00 0.06 0.00 -4.31 0.00 0.00 34.13 27.99 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 -0.24 -0.63 0.39 0.11 -1.94 -0.50 132.00 128.47 1x67 h PRO 132 Ca -0.45 0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.59 1x67 h PRO 132 Cb 1.23 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1x67 h PRO 132 CO 0.60 -0.16 0.05 1.05 -0.21 0.00 0.00 178.00 179.34 1x67 h GLU 133 N -0.24 1.08 -0.09 1.05 4.11 -1.97 0.18 114.58 118.70 1x67 h GLU 133 Ca 0.18 -0.32 0.02 0.00 0.07 0.00 0.00 59.36 59.32 1x67 h GLU 133 Cb 0.54 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1x67 h GLU 133 CO -0.55 1.02 0.09 0.00 0.07 0.00 0.00 179.01 179.64 1x67 n ILE 135 N -3.96 1.59 0.25 0.00 5.41 -0.31 -4.27 119.36 118.09 1x67 n ILE 135 Ca -0.01 -0.44 0.08 0.00 1.00 0.00 0.00 62.75 63.39 1x67 n ILE 135 Cb 0.19 -1.75 0.64 0.00 -0.71 0.00 0.00 39.64 38.01 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 -0.43 0.00 0.00 0.38 2.86 -0.38 -0.73 114.93 116.63 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 1.75 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.40 1x67 h MET 136 CO -0.14 0.06 -0.19 0.93 1.06 0.00 0.00 176.91 178.62 1x67 h GLU 137 N 0.00 0.00 0.00 1.72 4.39 -0.99 -2.65 114.58 117.05 1x67 h GLU 137 Ca -0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 1x67 h GLU 137 Cb 0.10 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 1x67 h GLU 137 CO 0.01 0.19 -1.81 1.63 -1.16 0.00 0.00 179.01 177.86 1x67 n LYS 138 N -3.85 0.65 -0.25 2.33 5.02 -0.41 -4.23 118.16 117.41 1x67 n LYS 138 Ca -0.02 0.09 -0.05 0.00 -2.02 0.00 0.00 58.31 56.32 1x67 n LYS 138 Cb 0.28 -1.68 0.10 0.00 -0.02 0.00 0.00 35.03 33.72 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 1.25 -0.91 -0.18 2.07 -0.87 -2.60 116.25 115.01 1x67 h VAL 139 Ca -0.26 -0.80 0.06 0.00 0.82 0.00 0.00 66.70 66.53 1x67 h VAL 139 Cb 1.71 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 1x67 h VAL 139 CO 0.04 0.32 0.59 0.00 0.02 0.00 0.00 177.57 178.54 1x67 h ALA 140 N 1.23 1.51 -1.45 1.67 0.00 -1.67 -3.40 119.26 117.14 1x67 h ALA 140 Ca 0.25 -0.02 -0.48 0.00 0.00 0.00 0.00 54.91 54.66 1x67 h ALA 140 Cb 0.22 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1x67 h ALA 140 CO -0.02 0.36 1.64 0.43 0.00 0.00 0.00 179.25 181.66 1x67 n SER 141 N -4.49 2.16 -4.90 0.00 7.64 -0.98 -4.92 113.62 108.14 1x67 n SER 141 Ca 0.14 -0.37 -0.27 0.00 1.01 0.00 0.00 58.87 59.38 1x67 n SER 141 Cb 0.20 -1.51 -0.01 0.00 -1.01 0.00 0.00 64.21 61.88 1x67 n SER 141 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x67 s GLY 142 N 11.54 2.41 -1.18 0.23 0.00 -1.26 -4.99 107.32 114.06 1x67 s GLY 142 Ca 1.03 -1.20 -0.22 0.00 0.00 0.00 0.00 44.72 44.33 1x67 s GLY 142 CO 0.30 -1.96 1.90 -1.55 0.00 0.00 0.00 173.10 171.79 1x67 n PRO 143 N -1.74 1.94 -3.03 2.90 -0.04 -1.26 -4.94 135.00 128.83 1x67 n PRO 143 Ca -0.03 -2.59 -0.40 0.00 -0.04 0.00 0.00 63.50 60.45 1x67 n PRO 143 Cb 0.64 -3.61 -0.05 0.00 -0.04 0.00 0.00 33.50 30.44 1x67 n PRO 143 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x67 s SER 144 N 5.84 7.13 -0.08 3.54 0.01 -1.26 -4.99 113.70 123.88 1x67 s SER 144 Ca 0.64 1.35 -0.09 0.00 1.31 0.00 0.00 55.95 59.16 1x67 s SER 144 Cb 0.02 -2.44 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 1x67 s SER 144 CO 0.12 -0.01 -0.17 -1.20 0.41 0.00 0.00 173.24 172.39 1x67 n SER 145 N 3.05 1.01 0.00 2.44 7.64 -1.26 -5.30 113.62 121.19 1x67 n SER 145 Ca -0.03 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1x67 n SER 145 Cb 0.51 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1x67 n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64