#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 5.13 -0.03 1.61 1.04 -1.26 -5.12 113.70 115.08 1x67 s SER 2 Ca 0.00 -0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.40 1x67 s SER 2 Cb 0.00 -1.32 0.02 0.00 0.10 0.00 0.00 66.02 64.82 1x67 s SER 2 CO 0.00 0.25 -0.01 -0.55 0.98 0.00 0.00 173.24 173.91 1x67 s SER 3 N -1.76 0.51 0.66 7.02 0.15 -1.26 -5.14 113.70 113.88 1x67 s SER 3 Ca 0.21 -0.05 -0.16 0.00 0.70 0.00 0.00 55.95 56.66 1x67 s SER 3 Cb -0.12 -0.26 -0.00 0.00 -1.71 0.00 0.00 66.02 63.94 1x67 s SER 3 CO 0.13 -0.08 1.14 -0.83 1.20 0.00 0.00 173.24 174.79 1x67 s GLY 4 N 0.93 2.28 0.42 9.45 0.00 -1.26 -5.03 107.32 114.11 1x67 s GLY 4 Ca -0.10 0.67 -0.09 0.00 0.00 0.00 0.00 44.72 45.20 1x67 s GLY 4 CO -0.01 1.04 0.76 -0.56 0.00 0.00 0.00 173.10 174.33 1x67 s SER 5 N -2.33 6.43 0.53 1.64 0.01 -1.26 -5.10 113.70 113.63 1x67 s SER 5 Ca 0.70 1.05 0.05 0.00 1.31 0.00 0.00 55.95 59.06 1x67 s SER 5 Cb -0.23 -2.29 0.03 0.00 0.21 0.00 0.00 66.02 63.73 1x67 s SER 5 CO 0.40 -0.45 0.35 -0.44 0.41 0.00 0.00 173.24 173.51 1x67 s SER 6 N -3.46 4.58 0.03 2.44 0.01 -1.26 -5.06 113.70 110.98 1x67 s SER 6 Ca 0.50 -1.26 -0.28 0.00 1.31 0.00 0.00 55.95 56.22 1x67 s SER 6 Cb -0.10 0.34 0.10 0.00 0.21 0.00 0.00 66.02 66.57 1x67 s SER 6 CO 0.36 -1.03 1.22 -0.83 0.41 0.00 0.00 173.24 173.37 1x67 s GLY 7 N -4.21 -0.21 -0.01 3.44 0.00 -1.26 -5.08 107.32 99.99 1x67 s GLY 7 Ca 0.32 0.25 -0.03 0.00 0.00 0.00 0.00 44.72 45.25 1x67 s GLY 7 CO 0.19 2.47 0.07 1.06 0.00 0.00 0.00 173.10 176.90 1x67 s MET 8 N -2.30 0.28 0.43 2.90 1.00 -1.26 -4.96 119.30 115.39 1x67 s MET 8 Ca 0.21 -0.24 0.00 0.00 0.00 0.00 0.00 55.69 55.66 1x67 s MET 8 Cb 0.01 0.11 0.00 0.00 0.00 0.00 0.00 34.83 34.96 1x67 s MET 8 CO -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 175.02 174.96 1x67 n ALA 9 N 2.15 -3.77 -2.07 3.03 0.00 -1.26 -4.69 120.51 113.90 1x67 n ALA 9 Ca -0.19 0.61 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 1x67 n ALA 9 Cb 0.57 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 1x67 n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x67 s ALA 10 N -2.89 3.66 -0.23 0.00 0.00 -1.26 -4.78 121.76 116.27 1x67 s ALA 10 Ca 0.00 1.18 -0.09 0.00 0.00 0.00 0.00 51.96 53.05 1x67 s ALA 10 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 1x67 s ALA 10 CO 0.00 -0.76 0.11 1.21 0.00 0.00 0.00 175.76 176.32 1x67 s ASN 11 N 1.37 5.73 -0.12 0.00 2.47 -1.26 -4.95 114.94 118.18 1x67 s ASN 11 Ca 0.67 0.01 0.17 0.00 0.42 0.00 0.00 52.86 54.14 1x67 s ASN 11 Cb -0.39 -2.02 0.40 0.00 -1.45 0.00 0.00 41.25 37.79 1x67 s ASN 11 CO 0.30 0.06 1.19 0.18 -3.72 0.00 0.00 177.10 175.12 1x67 n LEU 12 N 4.29 1.94 -0.10 3.21 4.32 -1.26 -2.15 117.00 127.25 1x67 n LEU 12 Ca -0.16 -3.03 -0.15 0.00 -0.02 0.00 0.00 56.01 52.66 1x67 n LEU 12 Cb 0.52 -0.30 -0.06 0.00 -1.62 0.00 0.00 43.42 41.96 1x67 n LEU 12 CO 0.34 0.98 -0.74 -1.20 -1.22 0.00 0.00 177.39 175.55 1x67 n SER 13 N -0.47 1.90 -0.26 -1.43 7.64 -1.26 -2.43 113.62 117.30 1x67 n SER 13 Ca 0.13 0.43 0.05 0.00 1.01 0.00 0.00 58.87 60.49 1x67 n SER 13 Cb 0.87 -0.83 0.19 0.00 -1.01 0.00 0.00 64.21 63.42 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 -1.00 0.49 -0.37 1.43 3.08 -1.96 -1.23 114.38 114.83 1x67 h ARG 14 Ca -0.22 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.65 1x67 h ARG 14 Cb 1.07 -0.11 -0.09 0.00 0.08 0.00 0.00 29.97 30.92 1x67 h ARG 14 CO -0.14 0.32 0.00 0.27 -1.07 0.00 0.00 179.97 179.36 1x67 n ASN 15 N -4.95 3.04 0.04 7.04 0.23 -1.26 -4.80 115.26 114.60 1x67 n ASN 15 Ca 0.14 -3.51 -0.05 0.00 -0.53 0.00 0.00 54.58 50.64 1x67 n ASN 15 Cb 0.40 -0.62 -0.03 0.00 -2.08 0.00 0.00 39.78 37.45 1x67 n ASN 15 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1x67 h GLY 16 N 1.27 -1.11 -0.20 4.83 0.00 -0.87 -0.11 103.07 106.88 1x67 h GLY 16 Ca 0.18 0.51 0.22 0.00 0.00 0.00 0.00 47.33 48.23 1x67 h GLY 16 CO 0.38 -0.38 0.37 -2.55 0.00 0.00 0.00 176.54 174.37 1x67 h PRO 17 N -0.22 0.38 0.93 4.80 0.11 -1.84 -0.12 132.00 136.03 1x67 h PRO 17 Ca -0.01 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1x67 h PRO 17 Cb 0.21 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.25 1x67 h PRO 17 CO -0.06 0.25 -0.45 0.00 -0.21 0.00 0.00 178.00 177.53 1x67 h ALA 18 N 1.70 -1.31 -0.67 -0.75 0.00 -1.85 -1.22 119.26 115.18 1x67 h ALA 18 Ca 0.55 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 55.31 1x67 h ALA 18 Cb 1.04 0.48 -0.09 0.00 0.00 0.00 0.00 17.79 19.22 1x67 h ALA 18 CO -0.53 -1.22 0.21 -0.07 0.00 0.00 0.00 179.25 177.64 1x67 h LEU 19 N -1.28 0.15 -1.40 0.00 3.38 -0.43 0.64 115.31 116.37 1x67 h LEU 19 Ca -0.13 0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1x67 h LEU 19 Cb 0.96 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1x67 h LEU 19 CO 0.21 0.07 0.44 -0.61 0.09 0.00 0.00 178.44 178.63 1x67 h GLN 20 N 0.36 0.75 0.32 1.13 4.15 -0.95 -2.40 115.11 118.47 1x67 h GLN 20 Ca 0.36 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.71 1x67 h GLN 20 Cb 0.52 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1x67 h GLN 20 CO -0.39 0.49 -0.15 1.49 -1.93 0.00 0.00 178.83 178.34 1x67 h GLU 21 N 0.77 -0.42 -0.15 1.69 4.81 0.39 0.20 114.58 121.87 1x67 h GLU 21 Ca 0.27 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.57 1x67 h GLU 21 Cb 0.11 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1x67 h GLU 21 CO -0.08 -0.25 0.13 0.00 -0.73 0.00 0.00 179.01 178.08 1x67 h ALA 22 N 0.21 1.93 0.00 2.92 0.00 -1.10 -2.20 119.26 121.01 1x67 h ALA 22 Ca -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1x67 h ALA 22 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1x67 h ALA 22 CO 0.07 -0.21 -0.00 -0.92 0.00 0.00 0.00 179.25 178.19 1x67 h TYR 23 N 0.00 -0.00 -0.92 0.00 3.20 -0.93 -3.02 116.97 115.30 1x67 h TYR 23 Ca 0.07 -0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.15 1x67 h TYR 23 Cb 0.33 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.53 1x67 h TYR 23 CO 0.00 0.91 0.61 0.28 -1.64 0.00 0.00 178.16 178.31 1x67 h VAL 24 N -0.99 0.67 -0.09 1.81 2.07 -0.21 -0.71 116.25 118.80 1x67 h VAL 24 Ca -0.00 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 1x67 h VAL 24 Cb 0.91 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1x67 h VAL 24 CO 0.00 0.08 -0.16 0.03 0.02 0.00 0.00 177.57 177.53 1x67 h ARG 25 N 0.42 0.27 -0.17 1.57 3.08 -1.50 0.19 114.38 118.24 1x67 h ARG 25 Ca 0.48 -0.17 0.05 0.00 0.07 0.00 0.00 59.98 60.41 1x67 h ARG 25 Cb 1.19 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1x67 h ARG 25 CO -0.19 0.75 0.12 0.28 -1.07 0.00 0.00 179.97 179.87 1x67 h VAL 26 N -0.19 0.86 0.00 2.04 2.07 -1.04 -1.10 116.25 118.89 1x67 h VAL 26 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 1x67 h VAL 26 Cb 0.74 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1x67 h VAL 26 CO 0.04 0.00 -1.46 1.33 0.02 0.00 0.00 177.57 177.50 1x67 n VAL 27 N -4.40 0.62 -3.49 2.57 0.24 -0.58 -4.71 118.33 108.57 1x67 n VAL 27 Ca 0.01 -0.59 -0.41 0.00 -2.04 0.00 0.00 64.34 61.32 1x67 n VAL 27 Cb 0.25 -0.34 -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 -3.26 5.25 0.04 3.34 2.01 0.66 -4.94 115.64 118.75 1x67 s THR 28 Ca -0.04 -0.21 0.33 0.00 0.31 0.00 0.00 61.69 62.08 1x67 s THR 28 Cb 0.10 -3.77 0.38 0.00 0.01 0.00 0.00 72.50 69.22 1x67 s THR 28 CO 0.83 -0.07 1.96 1.05 -0.69 0.00 0.00 174.62 177.70 1x67 h GLU 29 N 8.51 0.00 -0.29 4.92 4.11 -1.88 -3.18 114.58 126.77 1x67 h GLU 29 Ca -0.30 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.19 1x67 h GLU 29 Cb 1.15 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.33 1x67 h GLU 29 CO 0.66 0.00 -0.20 -0.22 0.07 0.00 0.00 179.01 179.32 1x67 h LYS 30 N 0.00 -0.17 -6.92 1.06 3.11 -1.92 -3.42 116.57 108.31 1x67 h LYS 30 Ca 0.00 0.01 -0.48 0.00 -2.81 0.00 0.00 60.65 57.37 1x67 h LYS 30 Cb 0.48 0.04 0.04 0.00 -1.00 0.00 0.00 32.23 31.78 1x67 h LYS 30 CO 0.00 -0.11 0.07 -1.12 -2.81 0.00 0.00 179.45 175.48 1x67 s SER 31 N -5.09 5.97 -0.77 4.20 0.01 -1.20 -5.02 113.70 111.81 1x67 s SER 31 Ca -0.14 0.71 -0.26 0.00 1.31 0.00 0.00 55.95 57.57 1x67 s SER 31 Cb 0.13 -1.93 0.04 0.00 0.21 0.00 0.00 66.02 64.47 1x67 s SER 31 CO 0.69 -0.74 1.25 -2.16 0.41 0.00 0.00 173.24 172.69 1x67 s PRO 32 N -4.76 3.24 -0.28 12.44 0.04 -1.26 -4.95 135.00 139.47 1x67 s PRO 32 Ca 0.49 -0.47 -0.21 0.00 0.04 0.00 0.00 61.00 60.85 1x67 s PRO 32 Cb -0.10 -4.35 0.08 0.00 0.04 0.00 0.00 34.50 30.17 1x67 s PRO 32 CO 0.43 -2.10 0.75 0.99 0.04 0.00 0.00 177.00 177.11 1x67 s THR 33 N 5.34 0.00 0.00 1.26 2.01 -1.26 -4.76 115.64 118.22 1x67 s THR 33 Ca 0.34 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1x67 s THR 33 Cb -0.08 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.43 1x67 s THR 33 CO 0.11 0.00 0.00 -0.67 -0.69 0.00 0.00 174.62 173.37 1x67 n ASP 34 N 3.31 3.49 -3.75 3.53 -0.08 0.60 -4.66 116.55 118.98 1x67 n ASP 34 Ca -0.16 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 52.88 1x67 n ASP 34 Cb 0.57 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.96 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 -2.52 0.05 -3.41 -0.67 4.27 -1.09 -1.57 117.44 112.50 1x67 n TRP 35 Ca 0.00 -2.56 0.02 0.00 -3.89 0.00 0.00 57.50 51.06 1x67 n TRP 35 Cb 0.49 0.02 -0.03 0.00 -1.36 0.00 0.00 31.31 30.42 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 -3.10 -2.58 -0.01 -1.67 0.00 -1.00 -3.96 121.76 109.45 1x67 s ALA 36 Ca 0.22 2.04 -0.02 0.00 0.00 0.00 0.00 51.96 54.20 1x67 s ALA 36 Cb 0.01 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 1x67 s ALA 36 CO 0.15 -1.04 0.14 -1.17 0.00 0.00 0.00 175.76 173.85 1x67 s LEU 37 N 2.66 4.19 -0.06 0.00 2.96 0.05 -1.84 118.68 126.64 1x67 s LEU 37 Ca -0.01 0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 54.14 1x67 s LEU 37 Cb -0.09 -2.48 0.04 0.00 0.50 0.00 0.00 46.19 44.16 1x67 s LEU 37 CO -0.18 0.27 0.08 -0.36 -1.32 0.00 0.00 176.35 174.84 1x67 s PHE 38 N -1.28 0.04 0.34 5.38 0.08 -0.86 -0.12 117.98 121.56 1x67 s PHE 38 Ca 0.26 0.25 0.05 0.00 0.12 0.00 0.00 56.93 57.61 1x67 s PHE 38 Cb -0.12 -0.47 -0.07 0.00 -0.57 0.00 0.00 43.02 41.79 1x67 s PHE 38 CO 0.17 -0.24 0.01 -0.08 -0.10 0.00 0.00 175.22 174.98 1x67 s THR 39 N 2.19 1.55 0.89 0.64 -1.32 -0.19 -2.29 115.64 117.11 1x67 s THR 39 Ca 0.04 -2.03 -0.11 0.00 -1.21 0.00 0.00 61.69 58.38 1x67 s THR 39 Cb -0.12 -2.78 0.13 0.00 -1.51 0.00 0.00 72.50 68.22 1x67 s THR 39 CO -0.04 -0.07 1.10 -0.31 -2.21 0.00 0.00 174.62 173.09 1x67 s TYR 40 N -3.05 2.11 -0.00 9.09 1.51 -1.26 -0.24 117.35 125.51 1x67 s TYR 40 Ca 0.34 1.47 -0.14 0.00 -1.01 0.00 0.00 57.07 57.73 1x67 s TYR 40 Cb 0.08 -3.17 -0.08 0.00 -0.11 0.00 0.00 41.96 38.68 1x67 s TYR 40 CO 0.16 -2.49 0.84 1.49 -1.11 0.00 0.00 175.55 174.44 1x67 h GLU 41 N -1.63 -0.50 0.00 -0.62 4.22 -1.51 -3.43 114.58 111.10 1x67 h GLU 41 Ca -0.47 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.00 1x67 h GLU 41 Cb 1.27 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1x67 h GLU 41 CO 0.50 -0.33 0.00 0.41 -2.18 0.00 0.00 179.01 177.40 1x67 n GLY 42 N -0.17 0.85 2.42 1.92 0.00 -1.26 -4.97 105.19 103.98 1x67 n GLY 42 Ca -0.06 0.52 -0.19 0.00 0.00 0.00 0.00 46.02 46.29 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 -5.35 -3.52 1.61 5.03 -1.26 -4.95 115.26 106.82 1x67 n ASN 43 Ca 0.00 0.14 -0.15 0.00 0.87 0.00 0.00 54.58 55.44 1x67 n ASN 43 Cb 0.00 -4.44 -0.05 0.00 -1.02 0.00 0.00 39.78 34.27 1x67 n ASN 43 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1x67 s SER 44 N -2.37 -0.56 -0.51 6.41 1.04 -1.26 -5.12 113.70 111.34 1x67 s SER 44 Ca 0.00 0.48 -0.29 0.00 0.48 0.00 0.00 55.95 56.62 1x67 s SER 44 Cb 0.00 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.63 1x67 s SER 44 CO 0.00 -0.61 1.24 0.20 0.98 0.00 0.00 173.24 175.06 1x67 s ASN 45 N -1.52 6.45 -0.32 7.02 0.01 -1.26 -4.17 114.94 121.16 1x67 s ASN 45 Ca -0.06 0.39 -0.10 0.00 -0.71 0.00 0.00 52.86 52.38 1x67 s ASN 45 Cb -0.00 -2.55 0.20 0.00 0.41 0.00 0.00 41.25 39.31 1x67 s ASN 45 CO 0.03 -1.42 1.12 -1.81 -1.51 0.00 0.00 177.10 173.51 1x67 s ASP 46 N 3.14 -0.15 0.17 -1.22 1.01 -1.26 -4.38 116.67 113.98 1x67 s ASP 46 Ca 0.49 -0.12 -0.32 0.00 0.71 0.00 0.00 52.55 53.32 1x67 s ASP 46 Cb -0.09 0.19 -0.11 0.00 1.01 0.00 0.00 42.92 43.92 1x67 s ASP 46 CO 0.29 -0.01 1.71 -0.63 0.21 0.00 0.00 175.17 176.74 1x67 s ILE 47 N 1.57 2.34 0.11 0.77 -1.09 -0.91 -1.79 121.20 122.20 1x67 s ILE 47 Ca 0.18 0.15 -0.01 0.00 -2.23 0.00 0.00 60.65 58.74 1x67 s ILE 47 Cb 0.08 -3.10 -0.04 0.00 -1.58 0.00 0.00 42.46 37.83 1x67 s ILE 47 CO -0.14 0.01 0.02 0.00 -1.23 0.00 0.00 174.94 173.60 1x67 s ARG 48 N 1.64 0.85 0.44 2.79 1.70 0.66 -4.75 118.95 122.29 1x67 s ARG 48 Ca 0.75 -1.38 -0.24 0.00 -0.47 0.00 0.00 55.73 54.39 1x67 s ARG 48 Cb -0.47 0.15 -0.10 0.00 -0.57 0.00 0.00 34.95 33.96 1x67 s ARG 48 CO 0.33 -0.19 1.03 0.28 -1.08 0.00 0.00 175.30 175.67 1x67 n VAL 49 N -0.05 2.58 -0.02 4.99 0.31 -1.26 -1.02 118.33 123.86 1x67 n VAL 49 Ca -0.08 -0.50 -0.02 0.00 -0.01 0.00 0.00 64.34 63.72 1x67 n VAL 49 Cb 0.63 -1.20 -0.02 0.00 -0.91 0.00 0.00 33.84 32.33 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 1.91 0.00 3.52 0.00 0.83 -4.58 120.51 121.60 1x67 n ALA 50 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1x67 n ALA 50 Cb 0.40 0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 3.06 2.08 3.00 0.00 0.00 -1.17 -4.96 105.19 107.20 1x67 n GLY 51 Ca -0.06 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.00 0.28 0.31 2.61 -4.23 -1.26 -0.77 115.64 110.59 1x67 s THR 52 Ca 0.00 -0.89 -0.13 0.00 -1.18 0.00 0.00 61.69 59.49 1x67 s THR 52 Cb 0.00 -0.38 0.02 0.00 1.34 0.00 0.00 72.50 73.48 1x67 s THR 52 CO 0.00 -0.40 0.61 -0.83 -0.54 0.00 0.00 174.62 173.46 1x67 s GLY 53 N -1.37 0.58 -0.11 3.99 0.00 -1.25 -5.04 107.32 104.12 1x67 s GLY 53 Ca -0.12 -0.87 0.17 0.00 0.00 0.00 0.00 44.72 43.89 1x67 s GLY 53 CO -0.00 -0.52 1.18 1.18 0.00 0.00 0.00 173.10 174.94 1x67 n GLU 54 N -0.48 0.85 -0.00 2.90 4.71 -1.26 -0.29 120.64 127.06 1x67 n GLU 54 Ca -0.03 -2.58 0.04 0.00 -0.01 0.00 0.00 57.16 54.58 1x67 n GLU 54 Cb 0.61 -0.92 -0.12 0.00 -1.01 0.00 0.00 31.44 30.00 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 -0.46 -1.12 0.00 0.62 0.00 -1.26 -4.79 105.19 98.17 1x67 n GLY 55 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 1.38 -0.37 0.23 -0.02 0.00 -1.26 -4.61 105.19 100.54 1x67 n GLY 56 Ca -0.11 -2.17 -0.03 0.00 0.00 0.00 0.00 46.02 43.71 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 0.41 -2.30 0.99 4.07 -1.98 0.13 115.31 116.64 1x67 h LEU 57 Ca 0.00 -0.14 -0.00 0.00 0.08 0.00 0.00 57.88 57.82 1x67 h LEU 57 Cb 0.00 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.63 1x67 h LEU 57 CO 0.00 0.68 -0.02 -0.33 -1.08 0.00 0.00 178.44 177.69 1x67 h GLU 58 N 0.36 0.00 0.00 1.13 4.39 -1.96 -1.50 114.58 117.00 1x67 h GLU 58 Ca 0.05 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.55 1x67 h GLU 58 Cb 0.67 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 1x67 h GLU 58 CO 0.05 0.02 -2.11 -1.91 -1.16 0.00 0.00 179.01 173.90 1x67 n GLU 59 N -3.97 0.86 0.09 2.33 4.07 -0.95 -4.15 120.64 118.91 1x67 n GLU 59 Ca -0.03 -0.08 -0.13 0.00 -0.06 0.00 0.00 57.16 56.87 1x67 n GLU 59 Cb 0.10 -1.47 -0.08 0.00 -0.06 0.00 0.00 31.44 29.94 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 -0.22 0.00 5.31 4.05 -0.22 -3.00 114.93 120.85 1x67 h MET 60 Ca -0.30 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.12 1x67 h MET 60 Cb 1.64 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 32.49 1x67 h MET 60 CO 0.02 0.10 -0.05 -0.39 0.23 0.00 0.00 176.91 176.81 1x67 h VAL 61 N -0.56 0.92 -0.28 -5.77 -1.51 -1.53 -1.61 116.25 105.92 1x67 h VAL 61 Ca -0.02 -0.18 0.08 0.00 -1.23 0.00 0.00 66.70 65.34 1x67 h VAL 61 Cb 0.42 1.10 -0.01 0.00 -2.13 0.00 0.00 31.29 30.67 1x67 h VAL 61 CO 0.04 0.05 0.29 -0.33 -1.23 0.00 0.00 177.57 176.38 1x67 h GLU 62 N 0.00 0.00 0.04 5.19 4.39 -1.68 0.00 114.58 122.52 1x67 h GLU 62 Ca -0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 1x67 h GLU 62 Cb 0.10 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 1x67 h GLU 62 CO 0.01 0.00 -1.61 0.93 -1.16 0.00 0.00 179.01 177.18 1x67 h GLU 63 N 0.00 0.08 -6.29 2.33 4.39 -1.37 -3.46 114.58 110.27 1x67 h GLU 63 Ca 0.13 -0.15 -0.65 0.00 0.34 0.00 0.00 59.36 59.03 1x67 h GLU 63 Cb 0.70 0.05 0.03 0.00 -0.10 0.00 0.00 28.75 29.44 1x67 h GLU 63 CO -0.00 0.79 0.87 1.28 -1.16 0.00 0.00 179.01 180.79 1x67 n LEU 64 N -3.23 2.77 -4.40 1.33 4.77 -0.01 -4.95 117.00 113.29 1x67 n LEU 64 Ca -0.16 1.05 -0.35 0.00 -0.03 0.00 0.00 56.01 56.51 1x67 n LEU 64 Cb 1.03 -1.29 -0.13 0.00 -2.33 0.00 0.00 43.42 40.70 1x67 n LEU 64 CO 0.46 -0.38 -0.33 0.21 -1.33 0.00 0.00 177.39 176.02 1x67 s ASN 65 N 2.67 4.74 -0.73 -1.43 3.84 -1.26 -5.02 114.94 117.75 1x67 s ASN 65 Ca 0.90 -0.27 -0.26 0.00 0.21 0.00 0.00 52.86 53.44 1x67 s ASN 65 Cb -0.84 -1.83 -0.02 0.00 -0.55 0.00 0.00 41.25 38.01 1x67 s ASN 65 CO 0.52 -0.00 1.82 -0.94 -2.79 0.00 0.00 177.10 175.70 1x67 s SER 66 N 1.39 5.36 0.00 -4.21 1.04 -1.26 -2.88 113.70 113.14 1x67 s SER 66 Ca 0.05 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1x67 s SER 66 Cb -0.15 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1x67 s SER 66 CO 0.01 -2.40 0.00 0.61 0.98 0.00 0.00 173.24 172.44 1x67 n GLY 67 N 6.06 0.29 3.04 7.32 0.00 -1.26 -4.67 105.19 115.98 1x67 n GLY 67 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 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 1.31 0.11 1.61 1.02 -1.14 -4.23 119.74 118.43 1x67 s LYS 68 Ca 0.00 -0.41 -0.31 0.00 0.02 0.00 0.00 55.97 55.27 1x67 s LYS 68 Cb 0.00 -1.17 -0.08 0.00 -0.52 0.00 0.00 37.83 36.06 1x67 s LYS 68 CO 0.00 0.14 1.36 0.08 -0.92 0.00 0.00 175.35 176.01 1x67 s VAL 69 N 0.23 3.39 0.24 3.17 1.01 -1.26 -4.27 120.40 122.90 1x67 s VAL 69 Ca -0.05 1.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.89 1x67 s VAL 69 Cb -0.11 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1x67 s VAL 69 CO 0.01 0.08 0.28 -0.04 0.00 0.00 0.00 175.10 175.44 1x67 s MET 70 N 1.03 1.43 -0.11 2.72 -1.94 -1.04 -4.61 119.30 116.78 1x67 s MET 70 Ca 0.63 -1.56 0.02 0.00 -1.71 0.00 0.00 55.69 53.07 1x67 s MET 70 Cb -0.36 0.35 0.01 0.00 2.01 0.00 0.00 34.83 36.85 1x67 s MET 70 CO 0.31 -0.53 -0.16 0.71 -0.01 0.00 0.00 175.02 175.33 1x67 s TYR 71 N -3.94 2.03 -0.13 -0.03 1.51 -0.97 -2.21 117.35 113.61 1x67 s TYR 71 Ca 0.33 -0.94 -0.02 0.00 -1.01 0.00 0.00 57.07 55.43 1x67 s TYR 71 Cb 0.04 -1.45 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1x67 s TYR 71 CO 0.13 -0.47 -0.05 0.00 -1.11 0.00 0.00 175.55 174.05 1x67 s ALA 72 N 0.92 2.97 -0.39 3.71 0.00 -1.12 -2.02 121.76 125.82 1x67 s ALA 72 Ca -0.08 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1x67 s ALA 72 Cb -0.15 -1.45 0.12 0.00 0.00 0.00 0.00 23.12 21.64 1x67 s ALA 72 CO -0.01 0.31 0.16 0.12 0.00 0.00 0.00 175.76 176.35 1x67 s PHE 73 N 0.07 2.35 0.42 0.00 5.36 -0.77 -2.42 117.98 123.00 1x67 s PHE 73 Ca -0.01 -2.41 0.05 0.00 -0.96 0.00 0.00 56.93 53.60 1x67 s PHE 73 Cb -0.14 -2.13 0.01 0.00 -0.34 0.00 0.00 43.02 40.42 1x67 s PHE 73 CO 0.03 -0.84 0.60 0.00 -1.46 0.00 0.00 175.22 173.55 1x67 s ARG 75 N -4.41 0.07 0.04 0.00 3.52 -0.61 -2.58 118.95 114.97 1x67 s ARG 75 Ca 0.51 -0.03 0.03 0.00 -0.13 0.00 0.00 55.73 56.11 1x67 s ARG 75 Cb -0.10 -1.70 -0.02 0.00 -1.56 0.00 0.00 34.95 31.57 1x67 s ARG 75 CO 0.34 -0.65 -0.09 0.14 -0.81 0.00 0.00 175.30 174.23 1x67 s VAL 76 N 2.16 0.68 0.20 7.11 -7.23 -0.62 -4.89 120.40 117.81 1x67 s VAL 76 Ca 0.03 -0.92 -0.30 0.00 -1.81 0.00 0.00 61.98 58.98 1x67 s VAL 76 Cb -0.16 -0.68 -0.08 0.00 0.56 0.00 0.00 36.38 36.02 1x67 s VAL 76 CO -0.09 -0.19 1.07 -1.59 -0.31 0.00 0.00 175.10 173.99 1x67 s LYS 77 N -1.22 4.64 0.93 4.82 -2.85 -1.26 -0.12 119.74 124.68 1x67 s LYS 77 Ca -0.05 1.68 -0.11 0.00 -1.00 0.00 0.00 55.97 56.50 1x67 s LYS 77 Cb -0.08 -3.27 0.15 0.00 -2.06 0.00 0.00 37.83 32.57 1x67 s LYS 77 CO 0.01 0.17 1.11 -0.51 0.10 0.00 0.00 175.35 176.22 1x67 s ASP 78 N -0.38 2.95 -0.04 0.03 1.11 -0.62 -4.85 116.67 114.86 1x67 s ASP 78 Ca 0.47 1.88 -0.25 0.00 0.18 0.00 0.00 52.55 54.83 1x67 s ASP 78 Cb -0.29 -2.44 -0.22 0.00 1.07 0.00 0.00 42.92 41.04 1x67 s ASP 78 CO 0.35 -3.03 1.08 1.55 1.18 0.00 0.00 175.17 176.30 1x67 h PRO 79 N -1.82 0.15 0.00 8.23 0.13 -1.91 -2.86 132.00 133.92 1x67 h PRO 79 Ca -0.48 -0.14 -0.22 0.00 -0.87 0.00 0.00 66.00 64.30 1x67 h PRO 79 Cb 1.28 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 1x67 h PRO 79 CO 0.47 0.84 -1.25 0.09 -0.23 0.00 0.00 178.00 177.92 1x67 n ASN 80 N -4.58 1.86 -0.30 1.44 3.02 -1.26 -4.31 115.26 111.13 1x67 n ASN 80 Ca -0.09 0.44 0.04 0.00 -0.03 0.00 0.00 54.58 54.94 1x67 n ASN 80 Cb 0.44 -0.95 0.18 0.00 -0.61 0.00 0.00 39.78 38.85 1x67 n ASN 80 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1x67 h SER 81 N -1.00 0.68 -0.46 6.41 0.02 -1.96 -3.45 113.55 113.79 1x67 h SER 81 Ca -0.33 0.05 -0.20 0.00 -0.84 0.00 0.00 61.79 60.48 1x67 h SER 81 Cb 1.23 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.62 1x67 h SER 81 CO -0.20 0.37 -0.18 0.61 -1.14 0.00 0.00 176.83 176.30 1x67 n GLY 82 N -1.32 1.11 3.33 -3.77 0.00 -1.08 -4.95 105.19 98.51 1x67 n GLY 82 Ca 0.14 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.18 2.39 -0.08 0.99 1.43 -1.26 -4.80 118.68 115.17 1x67 s LEU 83 Ca 0.00 -0.80 -0.36 0.00 -1.03 0.00 0.00 54.13 51.93 1x67 s LEU 83 Cb 0.00 -0.90 -0.14 0.00 0.03 0.00 0.00 46.19 45.18 1x67 s LEU 83 CO 0.00 0.02 1.69 -2.65 0.23 0.00 0.00 176.35 175.64 1x67 n PRO 84 N 0.57 1.66 -5.20 1.29 -0.02 -1.26 -1.59 135.00 130.45 1x67 n PRO 84 Ca -0.15 0.61 -0.31 0.00 -2.02 0.00 0.00 63.50 61.63 1x67 n PRO 84 Cb 0.56 -2.35 -0.16 0.00 -0.02 0.00 0.00 33.50 31.52 1x67 n PRO 84 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1x67 s LYS 85 N 2.72 2.41 0.06 -0.52 -0.14 0.83 -4.89 119.74 120.22 1x67 s LYS 85 Ca 0.91 -0.86 -0.12 0.00 -1.36 0.00 0.00 55.97 54.54 1x67 s LYS 85 Cb -0.86 -2.06 -0.06 0.00 -1.68 0.00 0.00 37.83 33.17 1x67 s LYS 85 CO 0.53 0.37 0.41 -0.06 -0.76 0.00 0.00 175.35 175.84 1x67 s PHE 86 N -0.16 3.63 0.02 3.18 0.08 -1.26 -1.59 117.98 121.88 1x67 s PHE 86 Ca -0.03 0.87 0.05 0.00 0.12 0.00 0.00 56.93 57.94 1x67 s PHE 86 Cb -0.13 -2.21 -0.02 0.00 -0.57 0.00 0.00 43.02 40.09 1x67 s PHE 86 CO 0.03 0.55 -0.14 0.08 -0.10 0.00 0.00 175.22 175.64 1x67 s VAL 87 N -1.30 1.13 -0.15 -0.44 1.01 -1.07 -0.62 120.40 118.97 1x67 s VAL 87 Ca 0.30 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1x67 s VAL 87 Cb -0.15 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1x67 s VAL 87 CO 0.16 0.12 -0.20 -0.22 0.00 0.00 0.00 175.10 174.96 1x67 s LEU 88 N -0.86 2.07 -0.09 3.92 1.98 -0.95 -3.43 118.68 121.32 1x67 s LEU 88 Ca 0.03 -0.60 0.04 0.00 -2.89 0.00 0.00 54.13 50.70 1x67 s LEU 88 Cb -0.07 -1.42 -0.01 0.00 0.66 0.00 0.00 46.19 45.35 1x67 s LEU 88 CO 0.01 0.04 -0.21 -0.63 -1.89 0.00 0.00 176.35 173.66 1x67 s ILE 89 N 1.05 2.32 -1.12 6.68 1.01 -1.02 -1.56 121.20 128.58 1x67 s ILE 89 Ca -0.02 -0.94 -0.07 0.00 0.00 0.00 0.00 60.65 59.63 1x67 s ILE 89 Cb -0.14 -1.90 0.28 0.00 0.01 0.00 0.00 42.46 40.71 1x67 s ILE 89 CO -0.07 0.56 1.39 0.59 0.00 0.00 0.00 174.94 177.41 1x67 n ASN 90 N 3.33 5.94 -4.68 3.58 3.02 -0.48 -2.80 115.26 123.17 1x67 n ASN 90 Ca -0.18 -3.24 -0.52 0.00 -0.03 0.00 0.00 54.58 50.61 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 2.25 2.15 -3.56 3.10 -0.00 -0.94 -3.86 117.44 116.58 1x67 n TRP 91 Ca 0.27 0.27 -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 29.00 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 3.19 0.75 0.23 5.87 2.01 -1.14 -2.50 115.64 124.04 1x67 s THR 92 Ca 0.92 -2.28 -0.31 0.00 0.31 0.00 0.00 61.69 60.33 1x67 s THR 92 Cb -0.84 -1.53 -0.14 0.00 0.01 0.00 0.00 72.50 70.00 1x67 s THR 92 CO 0.54 -1.00 1.28 0.61 -0.69 0.00 0.00 174.62 175.37 1x67 n GLY 93 N 3.58 0.42 0.26 4.40 0.00 -1.24 -4.25 105.19 108.35 1x67 n GLY 93 Ca 0.14 0.48 0.09 0.00 0.00 0.00 0.00 46.02 46.73 1x67 n GLY 93 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x67 h GLU 94 N 3.63 0.00 -0.03 1.61 4.11 -1.88 -1.69 114.58 120.33 1x67 h GLU 94 Ca -0.44 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.00 1x67 h GLU 94 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 1x67 h GLU 94 CO 0.72 0.06 0.12 0.78 0.07 0.00 0.00 179.01 180.75 1x67 h GLY 95 N 0.20 0.00 -4.81 1.06 0.00 -1.85 -3.41 103.07 94.26 1x67 h GLY 95 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1x67 h GLY 95 CO 0.01 0.00 0.72 0.14 0.00 0.00 0.00 176.54 177.41 1x67 s VAL 96 N -4.24 4.21 1.37 4.60 1.01 -0.64 -5.00 120.40 121.71 1x67 s VAL 96 Ca -0.05 1.54 -0.22 0.00 0.00 0.00 0.00 61.98 63.25 1x67 s VAL 96 Cb 0.12 -3.99 0.34 0.00 0.00 0.00 0.00 36.38 32.85 1x67 s VAL 96 CO 0.40 -0.01 0.76 -0.46 0.00 0.00 0.00 175.10 175.80 1x67 n ASN 97 N 5.27 -3.94 0.12 3.32 6.94 -1.26 -4.76 115.26 120.95 1x67 n ASN 97 Ca 0.11 -0.77 -0.24 0.00 -0.02 0.00 0.00 54.58 53.66 1x67 n ASN 97 Cb 0.46 -0.95 -0.16 0.00 -2.36 0.00 0.00 39.78 36.78 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 -3.46 0.76 -0.03 0.53 3.32 -1.95 -2.66 116.42 112.93 1x67 h ASP 98 Ca -0.35 -0.93 0.01 0.00 0.02 0.00 0.00 57.03 55.78 1x67 h ASP 98 Cb 1.18 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 1x67 h ASP 98 CO 0.21 1.75 0.04 0.58 -1.72 0.00 0.00 179.24 180.10 1x67 h VAL 99 N 0.13 0.53 0.12 -1.35 2.07 -2.00 -2.31 116.25 113.44 1x67 h VAL 99 Ca -0.30 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 66.86 1x67 h VAL 99 Cb 2.15 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 1x67 h VAL 99 CO 0.24 0.00 -1.97 -1.14 0.02 0.00 0.00 177.57 174.72 1x67 n ARG 100 N -3.85 0.75 -0.23 1.57 3.00 -1.24 -3.49 116.66 113.17 1x67 n ARG 100 Ca -0.02 0.27 0.15 0.00 -0.00 0.00 0.00 57.85 58.25 1x67 n ARG 100 Cb 0.13 -1.71 0.46 0.00 0.00 0.00 0.00 32.46 31.33 1x67 n ARG 100 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1x67 h LYS 101 N 0.03 0.50 0.00 -0.14 1.57 -1.05 0.32 116.57 117.79 1x67 h LYS 101 Ca -0.42 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1x67 h LYS 101 Cb 2.01 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.20 1x67 h LYS 101 CO 0.08 0.33 -0.41 0.78 -0.57 0.00 0.00 179.45 179.66 1x67 h GLY 102 N 0.52 0.00 1.25 3.86 0.00 -1.61 -3.05 103.07 104.03 1x67 h GLY 102 Ca 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.62 1x67 h GLY 102 CO -0.17 0.00 -1.16 0.00 0.00 0.00 0.00 176.54 175.21 1x67 h ALA 103 N 2.04 0.65 0.00 3.60 0.00 -0.78 -3.34 119.26 121.43 1x67 h ALA 103 Ca 0.00 -0.71 -0.15 0.00 0.00 0.00 0.00 54.91 54.05 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 0.80 -0.99 0.00 0.00 0.00 0.00 179.25 179.07 1x67 h ALA 105 N 1.38 1.70 -0.02 0.00 0.00 -1.65 -1.70 119.26 118.98 1x67 h ALA 105 Ca -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1x67 h ALA 105 Cb 1.54 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1x67 h ALA 105 CO 0.07 0.23 0.02 0.77 0.00 0.00 0.00 179.25 180.33 1x67 h SER 106 N 0.22 0.00 1.32 0.00 0.02 -1.71 -0.34 113.55 113.06 1x67 h SER 106 Ca 0.05 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.86 1x67 h SER 106 Cb 0.17 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1x67 h SER 106 CO 0.00 0.00 -0.68 0.45 -1.14 0.00 0.00 176.83 175.46 1x67 h HIS 107 N 0.00 0.00 -0.52 3.45 3.86 -1.51 -3.27 115.15 117.16 1x67 h HIS 107 Ca 0.01 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.30 1x67 h HIS 107 Cb 0.04 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 1x67 h HIS 107 CO 0.00 0.64 0.35 0.28 0.86 0.00 0.00 177.93 180.06 1x67 h VAL 108 N 0.00 0.90 -0.93 2.45 2.07 -1.03 -1.10 116.25 118.61 1x67 h VAL 108 Ca -0.02 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1x67 h VAL 108 Cb 1.50 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 1x67 h VAL 108 CO 0.08 0.06 0.61 -1.28 0.02 0.00 0.00 177.57 177.06 1x67 h SER 109 N 0.34 1.02 0.00 0.57 0.87 -1.61 0.82 113.55 115.56 1x67 h SER 109 Ca 0.24 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1x67 h SER 109 Cb 0.50 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1x67 h SER 109 CO -0.06 0.72 -0.09 0.74 -0.53 0.00 0.00 176.83 177.61 1x67 h THR 110 N 1.20 1.62 -0.64 2.23 2.02 -1.44 -3.25 112.91 114.65 1x67 h THR 110 Ca 0.36 -1.95 0.08 0.00 0.77 0.00 0.00 66.41 65.67 1x67 h THR 110 Cb -0.05 2.92 -0.07 0.00 -1.74 0.00 0.00 68.15 69.22 1x67 h THR 110 CO -0.11 0.52 0.30 0.24 0.37 0.00 0.00 175.52 176.84 1x67 h MET 111 N -0.72 0.52 -0.76 6.66 2.07 -1.19 -1.55 114.93 119.95 1x67 h MET 111 Ca -0.01 -0.03 0.14 0.00 -2.07 0.00 0.00 59.70 57.73 1x67 h MET 111 Cb 0.89 -0.12 -0.09 0.00 -1.87 0.00 0.00 31.60 30.41 1x67 h MET 111 CO 0.02 0.34 0.32 0.00 1.07 0.00 0.00 176.91 178.66 1x67 h ALA 112 N 1.40 1.09 -0.49 6.32 0.00 -0.93 0.52 119.26 127.17 1x67 h ALA 112 Ca 0.31 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.24 1x67 h ALA 112 Cb 0.32 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1x67 h ALA 112 CO -0.26 -0.18 -0.05 1.03 0.00 0.00 0.00 179.25 179.79 1x67 h SER 113 N 0.48 0.83 0.74 0.00 0.87 -1.34 -3.25 113.55 111.88 1x67 h SER 113 Ca 0.42 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1x67 h SER 113 Cb 0.61 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1x67 h SER 113 CO -0.39 0.93 -0.35 0.15 -0.53 0.00 0.00 176.83 176.64 1x67 h PHE 114 N 0.78 -0.92 0.00 2.24 3.57 -0.43 -3.30 116.94 118.88 1x67 h PHE 114 Ca 0.14 -0.02 -0.68 0.00 3.53 0.00 0.00 57.97 60.94 1x67 h PHE 114 Cb 0.54 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1x67 h PHE 114 CO 0.03 -0.57 3.42 1.28 -2.23 0.00 0.00 178.31 180.24 1x67 n LEU 115 N -5.43 7.57 -4.65 0.59 4.77 -0.01 -4.94 117.00 114.89 1x67 n LEU 115 Ca -0.12 -4.17 -0.29 0.00 -0.03 0.00 0.00 56.01 51.39 1x67 n LEU 115 Cb 0.39 -1.59 0.21 0.00 -2.33 0.00 0.00 43.42 40.11 1x67 n LEU 115 CO 0.30 1.47 0.65 -0.54 -1.33 0.00 0.00 177.39 177.94 1x67 s LYS 116 N 2.81 -0.50 0.00 3.23 -0.14 -1.24 -4.08 119.74 119.82 1x67 s LYS 116 Ca 0.57 0.10 0.00 0.00 -1.36 0.00 0.00 55.97 55.28 1x67 s LYS 116 Cb 0.16 -1.67 0.00 0.00 -1.68 0.00 0.00 37.83 34.64 1x67 s LYS 116 CO -0.07 -3.27 0.00 0.41 -0.76 0.00 0.00 175.35 171.66 1x67 n GLY 117 N -1.23 2.92 3.46 -3.33 0.00 -1.26 -4.99 105.19 100.75 1x67 n GLY 117 Ca 0.10 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.14 1.14 0.11 4.61 0.00 -1.26 -4.25 120.51 119.72 1x67 n ALA 118 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1x67 n ALA 118 Cb 0.00 -2.58 -0.01 0.00 0.00 0.00 0.00 19.45 16.86 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 12.57 0.00 -3.35 0.00 3.86 -1.24 -3.45 115.15 123.53 1x67 h HIS 119 Ca -0.29 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.67 1x67 h HIS 119 Cb 1.31 0.00 -0.32 0.00 1.06 0.00 0.00 27.41 29.46 1x67 h HIS 119 CO 0.95 0.60 -0.64 0.08 0.86 0.00 0.00 177.93 179.79 1x67 s VAL 120 N -2.91 -0.05 -0.08 2.45 1.01 -1.24 -5.04 120.40 114.54 1x67 s VAL 120 Ca 0.03 0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 1x67 s VAL 120 Cb 0.08 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.24 1x67 s VAL 120 CO 0.77 0.07 0.06 -0.89 0.00 0.00 0.00 175.10 175.11 1x67 s THR 121 N 1.08 4.72 -0.03 3.92 2.01 -1.26 -2.23 115.64 123.84 1x67 s THR 121 Ca -0.09 -0.16 -0.01 0.00 0.31 0.00 0.00 61.69 61.74 1x67 s THR 121 Cb -0.11 -3.04 0.03 0.00 0.01 0.00 0.00 72.50 69.38 1x67 s THR 121 CO -0.05 0.56 0.07 -0.63 -0.69 0.00 0.00 174.62 173.88 1x67 s ILE 122 N -0.99 -0.04 -0.70 1.82 1.01 -0.60 -5.00 121.20 116.69 1x67 s ILE 122 Ca 0.16 0.16 -0.05 0.00 0.00 0.00 0.00 60.65 60.92 1x67 s ILE 122 Cb -0.12 -0.13 0.18 0.00 0.01 0.00 0.00 42.46 42.40 1x67 s ILE 122 CO 0.05 0.07 0.55 0.54 0.00 0.00 0.00 174.94 176.15 1x67 s ASN 123 N 0.88 5.61 0.61 3.58 2.20 -1.26 -1.38 114.94 125.18 1x67 s ASN 123 Ca -0.07 -2.97 0.07 0.00 -0.94 0.00 0.00 52.86 48.96 1x67 s ASN 123 Cb -0.10 -1.93 0.11 0.00 -2.00 0.00 0.00 41.25 37.33 1x67 s ASN 123 CO -0.03 -0.37 0.84 0.00 -2.94 0.00 0.00 177.10 174.59 1x67 n ALA 124 N 3.38 1.01 0.00 3.54 0.00 -1.25 -4.97 120.51 122.22 1x67 n ALA 124 Ca 0.11 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.50 1x67 n ALA 124 Cb 0.39 0.51 0.00 0.00 0.00 0.00 0.00 19.45 20.36 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 -2.38 0.00 -3.94 0.00 3.00 -1.26 -2.86 116.66 109.21 1x67 n ARG 125 Ca 0.16 0.00 -0.21 0.00 -0.01 0.00 0.00 57.85 57.79 1x67 n ARG 125 Cb 0.59 -0.35 -0.02 0.00 0.00 0.00 0.00 32.46 32.68 1x67 n ARG 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x67 s ALA 126 N -1.24 3.88 0.47 7.54 0.00 -1.26 -3.72 121.76 127.43 1x67 s ALA 126 Ca 0.00 -1.33 0.27 0.00 0.00 0.00 0.00 51.96 50.91 1x67 s ALA 126 Cb 0.00 -1.59 1.54 0.00 0.00 0.00 0.00 23.12 23.07 1x67 s ALA 126 CO 0.00 0.20 2.13 0.93 0.00 0.00 0.00 175.76 179.02 1x67 h GLU 127 N 1.22 0.00 0.00 0.00 5.08 -1.97 -1.22 114.58 117.69 1x67 h GLU 127 Ca -0.50 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.81 1x67 h GLU 127 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1x67 h GLU 127 CO 0.60 0.09 -0.23 0.93 -1.00 0.00 0.00 179.01 179.39 1x67 h GLU 128 N 0.00 0.00 -0.84 2.33 4.39 -2.01 -2.88 114.58 115.57 1x67 h GLU 128 Ca -0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 1x67 h GLU 128 Cb 0.23 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.76 1x67 h GLU 128 CO 0.01 0.23 0.26 -0.25 -1.16 0.00 0.00 179.01 178.10 1x67 n ASP 129 N -3.33 4.15 -0.90 1.42 9.92 -0.46 -3.97 116.55 123.38 1x67 n ASP 129 Ca 0.01 -3.00 -0.01 0.00 -0.53 0.00 0.00 54.79 51.26 1x67 n ASP 129 Cb 0.47 -0.71 -0.02 0.00 -0.64 0.00 0.00 41.12 40.23 1x67 n ASP 129 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1x67 n VAL 130 N -0.16 0.00 -1.52 2.53 0.24 -1.09 -4.64 118.33 113.70 1x67 n VAL 130 Ca 0.34 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.34 62.08 1x67 n VAL 130 Cb 1.21 0.51 0.08 0.00 -1.47 0.00 0.00 33.84 34.17 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 2.42 0.17 7.34 8.01 -1.23 -4.81 118.70 130.60 1x67 s GLU 131 Ca 0.09 0.82 -0.23 0.00 0.01 0.00 0.00 54.97 55.66 1x67 s GLU 131 Cb 0.10 -1.94 0.06 0.00 -4.31 0.00 0.00 34.13 28.04 1x67 s GLU 131 CO -0.04 -1.43 1.60 -1.35 0.01 0.00 0.00 175.26 174.04 1x67 h PRO 132 N -0.96 -0.24 -0.45 0.39 0.11 -1.94 0.31 132.00 129.22 1x67 h PRO 132 Ca -0.46 0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.58 1x67 h PRO 132 Cb 1.24 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1x67 h PRO 132 CO 0.57 -0.16 -0.09 1.05 -0.21 0.00 0.00 178.00 179.16 1x67 h GLU 133 N -0.25 0.86 -0.14 1.05 4.11 -1.97 0.24 114.58 118.47 1x67 h GLU 133 Ca 0.17 -0.32 0.04 0.00 0.07 0.00 0.00 59.36 59.33 1x67 h GLU 133 Cb 0.54 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1x67 h GLU 133 CO -0.55 0.95 0.15 0.00 0.07 0.00 0.00 179.01 179.63 1x67 n ILE 135 N -3.91 1.59 0.26 0.00 5.41 0.02 -4.27 119.36 118.46 1x67 n ILE 135 Ca 0.01 -0.45 0.10 0.00 1.00 0.00 0.00 62.75 63.40 1x67 n ILE 135 Cb 0.26 -1.73 0.70 0.00 -0.71 0.00 0.00 39.64 38.17 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 -0.39 0.00 0.00 0.38 2.86 -0.19 -0.49 114.93 117.11 1x67 h MET 136 Ca -0.52 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.07 1x67 h MET 136 Cb 1.77 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.42 1x67 h MET 136 CO -0.14 0.04 -0.22 0.93 1.06 0.00 0.00 176.91 178.57 1x67 h GLU 137 N 0.00 0.00 0.00 1.72 4.39 -1.01 -2.81 114.58 116.87 1x67 h GLU 137 Ca -0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 1x67 h GLU 137 Cb 0.07 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 1x67 h GLU 137 CO 0.00 0.22 -1.87 1.63 -1.16 0.00 0.00 179.01 177.84 1x67 n LYS 138 N -3.73 0.65 -0.04 2.33 4.76 -0.33 -4.20 118.16 117.60 1x67 n LYS 138 Ca -0.01 0.11 -0.01 0.00 -2.87 0.00 0.00 58.31 55.53 1x67 n LYS 138 Cb 0.33 -1.67 0.28 0.00 -1.84 0.00 0.00 35.03 32.13 1x67 n LYS 138 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1x67 h VAL 139 N 0.00 1.20 -0.73 -0.18 2.07 -0.95 -2.56 116.25 115.10 1x67 h VAL 139 Ca -0.29 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 1x67 h VAL 139 Cb 1.81 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 1x67 h VAL 139 CO 0.04 0.26 0.31 0.00 0.02 0.00 0.00 177.57 178.21 1x67 h ALA 140 N 1.48 1.18 -1.91 1.67 0.00 -1.67 -3.42 119.26 116.58 1x67 h ALA 140 Ca 0.13 -0.17 -0.60 0.00 0.00 0.00 0.00 54.91 54.27 1x67 h ALA 140 Cb 0.28 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1x67 h ALA 140 CO 0.00 0.60 1.31 0.43 0.00 0.00 0.00 179.25 181.59 1x67 n SER 141 N -4.30 3.30 -1.34 0.00 7.64 -0.97 -4.93 113.62 113.02 1x67 n SER 141 Ca 0.07 0.62 -0.02 0.00 1.01 0.00 0.00 58.87 60.55 1x67 n SER 141 Cb 0.16 -1.44 -0.01 0.00 -1.01 0.00 0.00 64.21 61.92 1x67 n SER 141 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x67 n GLY 142 N 5.24 3.96 0.41 0.23 0.00 -1.26 -4.95 105.19 108.82 1x67 n GLY 142 Ca 0.28 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 1x67 n GLY 142 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1x67 h PRO 143 N 0.00 -0.52 -4.70 1.61 0.11 -1.98 -3.46 132.00 123.06 1x67 h PRO 143 Ca -0.02 0.04 -0.40 0.00 0.11 0.00 0.00 66.00 65.72 1x67 h PRO 143 Cb 0.11 0.12 0.04 0.00 0.11 0.00 0.00 31.00 31.38 1x67 h PRO 143 CO 0.04 -0.35 -0.60 0.45 -0.21 0.00 0.00 178.00 177.33 1x67 n SER 144 N -5.44 -5.73 -1.42 -2.05 2.88 -1.26 -4.68 113.62 95.91 1x67 n SER 144 Ca -0.05 -0.31 0.19 0.00 -1.33 0.00 0.00 58.87 57.37 1x67 n SER 144 Cb 0.37 -4.64 -0.05 0.00 -0.75 0.00 0.00 64.21 59.14 1x67 n SER 144 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x67 n SER 145 N -2.51 -8.44 0.00 -3.46 7.64 -1.26 -5.31 113.62 100.28 1x67 n SER 145 Ca -0.09 1.51 0.00 0.00 1.01 0.00 0.00 58.87 61.30 1x67 n SER 145 Cb 0.61 -4.25 0.00 0.00 -1.01 0.00 0.00 64.21 59.55 1x67 n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64