#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 1.55 -2.75 1.61 7.64 -1.26 -5.12 113.62 115.28 1x67 n SER 2 Ca 0.00 -1.95 -0.06 0.00 1.01 0.00 0.00 58.87 57.87 1x67 n SER 2 Cb 0.00 0.36 0.03 0.00 -1.01 0.00 0.00 64.21 63.59 1x67 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x67 n SER 3 N -1.61 -3.14 0.00 6.43 7.64 -1.26 -5.15 113.62 116.53 1x67 n SER 3 Ca -0.05 -3.11 0.00 0.00 1.01 0.00 0.00 58.87 56.73 1x67 n SER 3 Cb 0.27 1.79 0.00 0.00 -1.01 0.00 0.00 64.21 65.26 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 2.23 4.26 2.72 0.23 0.00 -1.26 -5.14 105.19 108.23 1x67 n GLY 4 Ca 0.13 -2.02 -0.20 0.00 0.00 0.00 0.00 46.02 43.93 1x67 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x67 s SER 5 N -0.17 1.15 -1.47 1.61 0.15 -1.26 -4.82 113.70 108.90 1x67 s SER 5 Ca 0.00 0.02 -0.03 0.00 0.70 0.00 0.00 55.95 56.64 1x67 s SER 5 Cb 0.00 -0.24 0.01 0.00 -1.71 0.00 0.00 66.02 64.09 1x67 s SER 5 CO 0.00 -0.21 0.28 -0.24 1.20 0.00 0.00 173.24 174.27 1x67 n SER 6 N 5.08 -5.19 -0.03 5.45 2.88 -1.26 -4.87 113.62 115.68 1x67 n SER 6 Ca -0.08 -0.12 -0.21 0.00 -1.33 0.00 0.00 58.87 57.14 1x67 n SER 6 Cb 0.50 -4.28 -0.13 0.00 -0.75 0.00 0.00 64.21 59.55 1x67 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x67 n GLY 7 N -1.16 -0.52 3.78 0.46 0.00 -1.26 -4.91 105.19 101.57 1x67 n GLY 7 Ca -0.14 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.54 4.52 -0.28 1.61 1.00 -1.26 -5.06 119.30 117.29 1x67 s MET 8 Ca -0.26 1.10 -0.23 0.00 0.00 0.00 0.00 55.69 56.31 1x67 s MET 8 Cb 0.07 -3.26 0.13 0.00 0.00 0.00 0.00 34.83 31.77 1x67 s MET 8 CO 0.72 0.58 1.02 0.00 0.00 0.00 0.00 175.02 177.34 1x67 s ALA 9 N -1.14 -2.02 0.66 3.03 0.00 -1.26 -4.65 121.76 116.37 1x67 s ALA 9 Ca 0.35 1.94 -0.17 0.00 0.00 0.00 0.00 51.96 54.08 1x67 s ALA 9 Cb -0.23 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.39 1x67 s ALA 9 CO 0.25 -0.26 1.11 0.00 0.00 0.00 0.00 175.76 176.87 1x67 n ALA 10 N 2.50 0.49 -0.09 0.00 0.00 -1.26 -4.89 120.51 117.25 1x67 n ALA 10 Ca -0.14 -0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.14 1x67 n ALA 10 Cb 0.56 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.77 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 -1.56 1.91 -2.04 0.00 5.15 -1.26 -4.98 115.26 112.48 1x67 n ASN 11 Ca 0.15 0.41 -0.18 0.00 -0.60 0.00 0.00 54.58 54.35 1x67 n ASN 11 Cb 0.48 -0.79 -0.04 0.00 -0.53 0.00 0.00 39.78 38.91 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 -4.47 -1.56 -0.03 1.20 4.32 -1.26 -4.87 117.00 110.33 1x67 n LEU 12 Ca -0.18 0.22 -0.03 0.00 -0.02 0.00 0.00 56.01 56.00 1x67 n LEU 12 Cb 0.51 -2.67 -0.01 0.00 -1.62 0.00 0.00 43.42 39.64 1x67 n LEU 12 CO 0.16 -0.52 -0.20 -0.24 -1.22 0.00 0.00 177.39 175.37 1x67 n SER 13 N -1.59 0.73 -0.29 -1.43 2.88 -1.26 -3.53 113.62 109.12 1x67 n SER 13 Ca -0.20 0.25 0.11 0.00 -1.33 0.00 0.00 58.87 57.70 1x67 n SER 13 Cb 0.64 -0.62 0.35 0.00 -0.75 0.00 0.00 64.21 63.83 1x67 n SER 13 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1x67 h ARG 14 N -0.39 0.74 -0.77 -1.46 3.08 -1.95 0.24 114.38 113.86 1x67 h ARG 14 Ca 0.00 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 1x67 h ARG 14 Cb 0.30 -0.17 -0.08 0.00 0.08 0.00 0.00 29.97 30.10 1x67 h ARG 14 CO 0.00 0.49 0.18 0.09 -1.07 0.00 0.00 179.97 179.65 1x67 n ASN 15 N -4.58 4.46 0.04 7.04 4.13 -1.26 -4.64 115.26 120.45 1x67 n ASN 15 Ca 0.18 -2.94 -0.05 0.00 1.68 0.00 0.00 54.58 53.45 1x67 n ASN 15 Cb 0.45 -0.69 -0.03 0.00 -1.54 0.00 0.00 39.78 37.97 1x67 n ASN 15 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1x67 h GLY 16 N 3.35 -1.13 0.53 7.41 0.00 -0.56 0.30 103.07 112.97 1x67 h GLY 16 Ca 0.17 0.52 0.17 0.00 0.00 0.00 0.00 47.33 48.18 1x67 h GLY 16 CO 0.57 -0.38 0.55 -2.55 0.00 0.00 0.00 176.54 174.72 1x67 h PRO 17 N -0.23 0.45 0.23 4.80 0.11 -1.82 0.10 132.00 135.64 1x67 h PRO 17 Ca -0.01 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1x67 h PRO 17 Cb 0.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1x67 h PRO 17 CO -0.07 0.29 -0.11 0.00 -0.21 0.00 0.00 178.00 177.91 1x67 h ALA 18 N 1.63 -0.63 -0.57 -0.75 0.00 -1.78 -2.50 119.26 114.66 1x67 h ALA 18 Ca 0.42 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.36 1x67 h ALA 18 Cb 0.94 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 1x67 h ALA 18 CO -0.15 -0.60 0.10 -0.07 0.00 0.00 0.00 179.25 178.52 1x67 h LEU 19 N -0.51 -0.04 -1.61 0.00 3.38 -0.25 0.11 115.31 116.39 1x67 h LEU 19 Ca -0.03 0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.18 1x67 h LEU 19 Cb 0.24 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1x67 h LEU 19 CO 0.05 -0.00 0.46 -0.61 0.09 0.00 0.00 178.44 178.43 1x67 h GLN 20 N 0.23 0.40 0.12 1.13 -0.00 -0.90 -1.15 115.11 114.94 1x67 h GLN 20 Ca 0.29 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.91 1x67 h GLN 20 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.82 1x67 h GLN 20 CO -0.40 0.26 -0.06 1.49 0.00 0.00 0.00 178.83 180.13 1x67 h GLU 21 N 0.41 -0.16 -0.02 1.69 4.81 -0.34 0.24 114.58 121.20 1x67 h GLU 21 Ca 0.33 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1x67 h GLU 21 Cb 0.73 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 1x67 h GLU 21 CO -0.10 0.29 0.07 0.00 -0.73 0.00 0.00 179.01 178.54 1x67 h ALA 22 N 0.04 1.23 0.00 2.92 0.00 -0.75 0.24 119.26 122.95 1x67 h ALA 22 Ca -0.02 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1x67 h ALA 22 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1x67 h ALA 22 CO 0.03 -0.08 -1.14 0.98 0.00 0.00 0.00 179.25 179.04 1x67 n TYR 23 N -3.28 0.87 0.30 0.00 9.36 -0.49 -3.65 117.16 120.28 1x67 n TYR 23 Ca -0.02 0.38 0.19 0.00 3.32 0.00 0.00 57.90 61.76 1x67 n TYR 23 Cb 0.14 -0.97 0.96 0.00 -0.63 0.00 0.00 39.34 38.84 1x67 n TYR 23 CO 0.00 0.00 0.00 -0.24 0.22 0.00 0.00 176.86 176.84 1x67 h VAL 24 N -1.00 0.17 0.02 2.97 3.04 -0.28 -2.78 116.25 118.39 1x67 h VAL 24 Ca -0.26 -0.24 -0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1x67 h VAL 24 Cb 1.08 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 1x67 h VAL 24 CO -0.16 0.03 -0.01 0.03 -1.01 0.00 0.00 177.57 176.45 1x67 h ARG 25 N 0.00 -0.03 -0.98 4.17 3.08 -0.69 -2.25 114.38 117.69 1x67 h ARG 25 Ca -0.00 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.16 1x67 h ARG 25 Cb 0.20 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.17 1x67 h ARG 25 CO 0.00 0.66 0.62 0.28 -1.07 0.00 0.00 179.97 180.46 1x67 h VAL 26 N -0.75 0.94 0.00 2.04 2.07 -1.57 0.30 116.25 119.28 1x67 h VAL 26 Ca -0.00 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 1x67 h VAL 26 Cb 0.70 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1x67 h VAL 26 CO 0.00 0.18 -0.33 -0.37 0.02 0.00 0.00 177.57 177.07 1x67 h VAL 27 N 1.00 0.71 -3.20 2.57 -1.51 -1.58 -3.41 116.25 110.82 1x67 h VAL 27 Ca 0.48 -1.53 -0.67 0.00 -1.23 0.00 0.00 66.70 63.75 1x67 h VAL 27 Cb 0.43 2.00 -0.17 0.00 -2.13 0.00 0.00 31.29 31.42 1x67 h VAL 27 CO -0.25 0.33 0.17 -0.89 -1.23 0.00 0.00 177.57 175.69 1x67 s THR 28 N -3.43 4.76 0.33 7.19 2.01 0.09 -4.90 115.64 121.69 1x67 s THR 28 Ca 0.02 -0.37 0.33 0.00 0.31 0.00 0.00 61.69 61.97 1x67 s THR 28 Cb 0.09 -4.37 0.35 0.00 0.01 0.00 0.00 72.50 68.59 1x67 s THR 28 CO 0.68 -0.90 2.08 1.05 -0.69 0.00 0.00 174.62 176.84 1x67 h GLU 29 N 9.08 0.00 -0.11 4.92 4.11 -1.80 -3.11 114.58 127.67 1x67 h GLU 29 Ca -0.27 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.20 1x67 h GLU 29 Cb 1.09 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.28 1x67 h GLU 29 CO 1.00 0.07 -0.32 -0.22 0.07 0.00 0.00 179.01 179.60 1x67 h LYS 30 N 0.00 -0.39 -7.13 1.06 3.11 -1.90 -3.42 116.57 107.89 1x67 h LYS 30 Ca -0.00 0.03 -0.49 0.00 -2.81 0.00 0.00 60.65 57.38 1x67 h LYS 30 Cb 0.37 0.09 0.05 0.00 -1.00 0.00 0.00 32.23 31.74 1x67 h LYS 30 CO 0.01 -0.26 0.22 -1.12 -2.81 0.00 0.00 179.45 175.48 1x67 s SER 31 N -4.91 5.91 -0.78 4.20 0.01 -1.18 -5.00 113.70 111.95 1x67 s SER 31 Ca -0.15 0.94 -0.26 0.00 1.31 0.00 0.00 55.95 57.78 1x67 s SER 31 Cb 0.10 -2.03 0.03 0.00 0.21 0.00 0.00 66.02 64.33 1x67 s SER 31 CO 0.66 -0.90 1.32 -2.16 0.41 0.00 0.00 173.24 172.57 1x67 s PRO 32 N -4.97 3.23 -0.29 12.44 0.04 -1.26 -4.93 135.00 139.25 1x67 s PRO 32 Ca 0.52 -0.34 -0.12 0.00 0.04 0.00 0.00 61.00 61.10 1x67 s PRO 32 Cb -0.11 -4.35 0.12 0.00 0.04 0.00 0.00 34.50 30.20 1x67 s PRO 32 CO 0.47 -2.18 0.70 0.99 0.04 0.00 0.00 177.00 177.03 1x67 s THR 33 N 5.73 -0.63 -0.04 1.26 2.01 -1.26 -4.52 115.64 118.20 1x67 s THR 33 Ca 0.37 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.40 1x67 s THR 33 Cb -0.07 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 1x67 s THR 33 CO 0.12 0.00 -0.01 -0.67 -0.69 0.00 0.00 174.62 173.37 1x67 n ASP 34 N 5.01 3.93 -3.70 3.53 -0.08 -0.14 -4.54 116.55 120.56 1x67 n ASP 34 Ca -0.14 -0.01 -0.22 0.00 -1.51 0.00 0.00 54.79 52.91 1x67 n ASP 34 Cb 0.53 0.35 -0.08 0.00 2.34 0.00 0.00 41.12 44.26 1x67 n ASP 34 CO 0.00 0.00 0.00 -1.66 0.12 0.00 0.00 177.20 175.66 1x67 s TRP 35 N -2.09 1.75 -0.30 -0.67 1.48 -0.93 -1.94 118.94 116.24 1x67 s TRP 35 Ca -0.03 -1.50 -0.15 0.00 -1.06 0.00 0.00 56.10 53.35 1x67 s TRP 35 Cb 0.01 -0.90 0.16 0.00 -1.16 0.00 0.00 33.47 31.58 1x67 s TRP 35 CO 0.14 -0.62 0.98 0.00 -4.06 0.00 0.00 176.95 173.38 1x67 s ALA 36 N -3.36 -2.63 0.12 2.67 0.00 -1.03 -3.82 121.76 113.71 1x67 s ALA 36 Ca 0.33 2.08 0.02 0.00 0.00 0.00 0.00 51.96 54.39 1x67 s ALA 36 Cb 0.02 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1x67 s ALA 36 CO 0.22 -0.88 0.23 -1.17 0.00 0.00 0.00 175.76 174.16 1x67 s LEU 37 N 2.33 4.24 -0.12 0.00 2.96 0.60 -1.22 118.68 127.47 1x67 s LEU 37 Ca -0.03 0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 53.99 1x67 s LEU 37 Cb -0.06 -2.83 0.06 0.00 0.50 0.00 0.00 46.19 43.86 1x67 s LEU 37 CO -0.17 0.10 0.18 -0.36 -1.32 0.00 0.00 176.35 174.78 1x67 s PHE 38 N -1.65 -0.21 0.25 5.38 0.08 -0.50 -1.60 117.98 119.73 1x67 s PHE 38 Ca 0.34 0.55 0.04 0.00 0.12 0.00 0.00 56.93 57.97 1x67 s PHE 38 Cb -0.12 -0.27 -0.05 0.00 -0.57 0.00 0.00 43.02 42.01 1x67 s PHE 38 CO 0.27 -0.36 0.01 -0.08 -0.10 0.00 0.00 175.22 174.97 1x67 s THR 39 N 2.31 1.05 0.76 0.64 -1.32 0.51 -1.72 115.64 117.87 1x67 s THR 39 Ca 0.03 -2.03 -0.11 0.00 -1.21 0.00 0.00 61.69 58.38 1x67 s THR 39 Cb -0.13 -2.45 0.05 0.00 -1.51 0.00 0.00 72.50 68.46 1x67 s THR 39 CO -0.07 -0.24 1.08 -0.31 -2.21 0.00 0.00 174.62 172.86 1x67 s TYR 40 N -3.40 2.75 -0.03 9.09 1.51 -1.26 -0.13 117.35 125.88 1x67 s TYR 40 Ca 0.31 1.46 -0.03 0.00 -1.01 0.00 0.00 57.07 57.80 1x67 s TYR 40 Cb 0.06 -3.00 -0.01 0.00 -0.11 0.00 0.00 41.96 38.89 1x67 s TYR 40 CO 0.10 -1.65 0.20 1.49 -1.11 0.00 0.00 175.55 174.58 1x67 h GLU 41 N -1.02 -0.09 0.00 -0.62 4.22 -1.81 -3.45 114.58 111.82 1x67 h GLU 41 Ca -0.44 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.00 1x67 h GLU 41 Cb 1.23 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1x67 h GLU 41 CO 0.54 -0.06 0.00 0.41 -2.18 0.00 0.00 179.01 177.72 1x67 n GLY 42 N 1.40 2.09 2.52 1.92 0.00 -1.26 -5.02 105.19 106.84 1x67 n GLY 42 Ca -0.01 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 5.61 -3.73 1.61 4.13 -1.26 -5.01 115.26 116.62 1x67 n ASN 43 Ca 0.00 -3.76 -0.10 0.00 1.68 0.00 0.00 54.58 52.41 1x67 n ASN 43 Cb 0.00 -0.62 -0.04 0.00 -1.54 0.00 0.00 39.78 37.58 1x67 n ASN 43 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1x67 s SER 44 N -2.85 -0.27 -0.52 6.41 1.04 -1.26 -5.12 113.70 111.14 1x67 s SER 44 Ca 0.50 -0.46 -0.28 0.00 0.48 0.00 0.00 55.95 56.19 1x67 s SER 44 Cb 0.42 0.57 0.03 0.00 0.10 0.00 0.00 66.02 67.14 1x67 s SER 44 CO -0.20 -1.04 1.12 0.20 0.98 0.00 0.00 173.24 174.30 1x67 s ASN 45 N -2.87 6.52 -0.31 7.02 -0.87 -1.26 -4.60 114.94 118.58 1x67 s ASN 45 Ca 0.09 0.23 -0.11 0.00 -1.57 0.00 0.00 52.86 51.50 1x67 s ASN 45 Cb -0.01 -2.53 0.21 0.00 -0.02 0.00 0.00 41.25 38.90 1x67 s ASN 45 CO -0.03 -1.32 1.16 -1.81 -2.57 0.00 0.00 177.10 172.52 1x67 s ASP 46 N 2.67 -0.06 0.25 -1.22 1.01 -1.26 -4.39 116.67 113.67 1x67 s ASP 46 Ca 0.44 -0.05 -0.31 0.00 0.71 0.00 0.00 52.55 53.33 1x67 s ASP 46 Cb -0.08 0.08 -0.11 0.00 1.01 0.00 0.00 42.92 43.82 1x67 s ASP 46 CO 0.28 -0.00 1.61 -0.63 0.21 0.00 0.00 175.17 176.63 1x67 s ILE 47 N 1.38 2.18 0.13 0.77 -1.09 -1.26 -3.44 121.20 119.87 1x67 s ILE 47 Ca 0.19 0.15 0.02 0.00 -2.23 0.00 0.00 60.65 58.77 1x67 s ILE 47 Cb 0.11 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.86 1x67 s ILE 47 CO -0.14 0.02 -0.03 0.00 -1.23 0.00 0.00 174.94 173.56 1x67 s ARG 48 N 0.15 0.94 0.45 2.79 1.70 0.82 -4.65 118.95 121.15 1x67 s ARG 48 Ca 0.67 -1.41 -0.25 0.00 -0.47 0.00 0.00 55.73 54.26 1x67 s ARG 48 Cb -0.47 -0.21 -0.08 0.00 -0.57 0.00 0.00 34.95 33.62 1x67 s ARG 48 CO 0.41 -0.07 1.38 0.08 -1.08 0.00 0.00 175.30 176.02 1x67 s VAL 49 N -3.66 2.26 -0.02 4.99 1.01 -1.26 -0.36 120.40 123.36 1x67 s VAL 49 Ca 0.17 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.39 1x67 s VAL 49 Cb 0.06 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1x67 s VAL 49 CO -0.01 0.03 0.01 0.00 0.00 0.00 0.00 175.10 175.13 1x67 n ALA 50 N -0.19 1.97 -3.64 5.51 0.00 -0.62 -4.67 120.51 118.86 1x67 n ALA 50 Ca 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 1x67 n ALA 50 Cb 0.43 0.17 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 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 -3.11 0.21 -0.15 0.00 0.00 -1.24 -4.95 107.32 98.07 1x67 s GLY 51 Ca -0.01 3.14 -0.13 0.00 0.00 0.00 0.00 44.72 47.71 1x67 s GLY 51 CO 0.08 1.47 0.40 -0.51 0.00 0.00 0.00 173.10 174.54 1x67 s THR 52 N -0.56 -0.00 -0.00 0.90 -4.23 -1.26 -0.29 115.64 110.20 1x67 s THR 52 Ca 0.08 0.01 -0.29 0.00 -1.18 0.00 0.00 61.69 60.31 1x67 s THR 52 Cb -0.03 -0.56 0.10 0.00 1.34 0.00 0.00 72.50 73.36 1x67 s THR 52 CO -0.11 0.00 1.27 -0.83 -0.54 0.00 0.00 174.62 174.41 1x67 s GLY 53 N 0.30 -0.22 -0.31 3.99 0.00 -1.25 -5.02 107.32 104.81 1x67 s GLY 53 Ca -0.01 0.26 0.10 0.00 0.00 0.00 0.00 44.72 45.07 1x67 s GLY 53 CO -0.00 3.33 1.68 -2.21 0.00 0.00 0.00 173.10 175.90 1x67 n GLU 54 N -0.73 2.88 0.25 2.90 2.13 -1.26 -0.96 120.64 125.84 1x67 n GLU 54 Ca -0.01 -3.06 0.14 0.00 0.66 0.00 0.00 57.16 54.88 1x67 n GLU 54 Cb 0.60 -2.05 0.56 0.00 0.27 0.00 0.00 31.44 30.83 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 1.83 0.00 0.00 8.31 0.00 -1.96 -3.44 103.07 107.81 1x67 h GLY 55 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1x67 h GLY 55 CO 0.63 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.78 1x67 n GLY 56 N 0.11 0.76 0.09 4.60 0.00 -1.26 -4.40 105.19 105.10 1x67 n GLY 56 Ca 0.00 -1.70 -0.00 0.00 0.00 0.00 0.00 46.02 44.32 1x67 n GLY 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x67 n LEU 57 N 0.00 0.80 0.20 0.99 4.77 -1.26 -3.33 117.00 119.18 1x67 n LEU 57 Ca 0.00 0.35 0.05 0.00 -0.03 0.00 0.00 56.01 56.38 1x67 n LEU 57 Cb 0.00 0.09 0.44 0.00 -2.33 0.00 0.00 43.42 41.62 1x67 n LEU 57 CO 0.00 0.16 0.79 -0.33 -1.33 0.00 0.00 177.39 176.68 1x67 h GLU 58 N 0.00 0.00 0.18 3.23 5.08 -1.95 -2.43 114.58 118.68 1x67 h GLU 58 Ca -0.18 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.83 1x67 h GLU 58 Cb 1.61 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.87 1x67 h GLU 58 CO 0.05 0.30 -1.77 1.49 -1.00 0.00 0.00 179.01 178.08 1x67 h GLU 59 N 0.00 0.37 -0.16 2.33 4.57 -1.77 -3.16 114.58 116.76 1x67 h GLU 59 Ca -0.00 -0.63 0.03 0.00 -1.18 0.00 0.00 59.36 57.57 1x67 h GLU 59 Cb 0.57 0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 29.37 1x67 h GLU 59 CO 0.04 1.30 -0.04 1.98 -1.18 0.00 0.00 179.01 181.12 1x67 h MET 60 N 0.08 0.00 0.00 1.92 4.05 -1.53 -1.58 114.93 117.87 1x67 h MET 60 Ca -0.36 -0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.01 1x67 h MET 60 Cb 2.07 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.86 1x67 h MET 60 CO 0.16 0.00 -0.27 -0.39 0.23 0.00 0.00 176.91 176.64 1x67 h VAL 61 N 0.00 1.03 0.00 -5.77 -1.51 -1.60 -2.24 116.25 106.16 1x67 h VAL 61 Ca 0.08 -0.99 -0.04 0.00 -1.23 0.00 0.00 66.70 64.51 1x67 h VAL 61 Cb 0.11 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 1x67 h VAL 61 CO -0.16 0.27 -0.21 -0.33 -1.23 0.00 0.00 177.57 175.91 1x67 h GLU 62 N 0.00 0.00 0.00 5.19 4.39 -1.27 -2.66 114.58 120.24 1x67 h GLU 62 Ca -0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 1x67 h GLU 62 Cb 0.54 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 1x67 h GLU 62 CO 0.04 0.21 -1.38 0.93 -1.16 0.00 0.00 179.01 177.64 1x67 h GLU 63 N 0.00 0.00 -6.34 2.33 4.39 -0.88 -3.46 114.58 110.61 1x67 h GLU 63 Ca -0.00 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.07 1x67 h GLU 63 Cb 0.50 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.19 1x67 h GLU 63 CO 0.03 0.62 0.87 1.28 -1.16 0.00 0.00 179.01 180.65 1x67 n LEU 64 N -3.13 2.93 -4.32 1.33 4.77 -1.00 -4.95 117.00 112.63 1x67 n LEU 64 Ca -0.10 1.05 -0.38 0.00 -0.03 0.00 0.00 56.01 56.54 1x67 n LEU 64 Cb 0.97 -1.34 -0.12 0.00 -2.33 0.00 0.00 43.42 40.60 1x67 n LEU 64 CO 0.45 -0.33 -0.23 0.21 -1.33 0.00 0.00 177.39 176.16 1x67 s ASN 65 N 2.35 5.41 -0.63 -1.43 3.84 -1.26 -5.02 114.94 118.20 1x67 s ASN 65 Ca 0.87 -0.99 -0.26 0.00 0.21 0.00 0.00 52.86 52.69 1x67 s ASN 65 Cb -0.77 -1.92 -0.07 0.00 -0.55 0.00 0.00 41.25 37.93 1x67 s ASN 65 CO 0.48 -0.31 2.24 -0.94 -2.79 0.00 0.00 177.10 175.77 1x67 s SER 66 N 1.47 4.56 0.00 -4.21 1.04 -1.26 -2.44 113.70 112.86 1x67 s SER 66 Ca 0.00 0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1x67 s SER 66 Cb -0.19 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1x67 s SER 66 CO 0.04 -2.99 0.00 0.61 0.98 0.00 0.00 173.24 171.88 1x67 n GLY 67 N 6.21 0.27 3.05 7.32 0.00 -1.26 -4.65 105.19 116.13 1x67 n GLY 67 Ca 0.36 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.16 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 1.15 0.10 1.61 1.02 -1.02 -4.09 119.74 118.50 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 -1.06 -0.07 0.00 -0.52 0.00 0.00 37.83 36.18 1x67 s LYS 68 CO 0.00 0.18 1.39 0.08 -0.92 0.00 0.00 175.35 176.08 1x67 s VAL 69 N 0.03 3.39 0.24 3.17 1.01 -1.26 -4.25 120.40 122.72 1x67 s VAL 69 Ca -0.01 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 62.92 1x67 s VAL 69 Cb -0.08 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1x67 s VAL 69 CO 0.01 0.06 0.23 -0.04 0.00 0.00 0.00 175.10 175.36 1x67 s MET 70 N 1.32 1.39 -0.08 2.72 -1.94 -0.96 -4.55 119.30 117.20 1x67 s MET 70 Ca 0.64 -1.65 0.02 0.00 -1.71 0.00 0.00 55.69 53.00 1x67 s MET 70 Cb -0.36 0.32 0.02 0.00 2.01 0.00 0.00 34.83 36.82 1x67 s MET 70 CO 0.30 -0.50 -0.12 0.71 -0.01 0.00 0.00 175.02 175.41 1x67 s TYR 71 N -3.95 1.50 -0.11 -0.03 1.51 -0.70 -1.91 117.35 113.66 1x67 s TYR 71 Ca 0.36 -0.60 -0.01 0.00 -1.01 0.00 0.00 57.07 55.81 1x67 s TYR 71 Cb 0.05 -1.12 -0.02 0.00 -0.11 0.00 0.00 41.96 40.75 1x67 s TYR 71 CO 0.15 -0.34 -0.08 0.00 -1.11 0.00 0.00 175.55 174.17 1x67 s ALA 72 N 0.88 2.87 -0.38 3.71 0.00 -1.09 -1.41 121.76 126.33 1x67 s ALA 72 Ca -0.10 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.01 1x67 s ALA 72 Cb -0.15 -1.32 0.11 0.00 0.00 0.00 0.00 23.12 21.76 1x67 s ALA 72 CO 0.01 0.36 0.14 0.12 0.00 0.00 0.00 175.76 176.39 1x67 s PHE 73 N -0.08 2.62 0.54 0.00 5.36 -0.36 -2.72 117.98 123.33 1x67 s PHE 73 Ca 0.00 -2.50 0.07 0.00 -0.96 0.00 0.00 56.93 53.54 1x67 s PHE 73 Cb -0.13 -2.29 0.06 0.00 -0.34 0.00 0.00 43.02 40.32 1x67 s PHE 73 CO 0.03 -0.86 0.74 0.00 -1.46 0.00 0.00 175.22 173.68 1x67 s ARG 75 N -4.63 0.25 0.41 0.00 3.52 -0.82 -3.18 118.95 114.51 1x67 s ARG 75 Ca 0.60 0.38 0.03 0.00 -0.13 0.00 0.00 55.73 56.61 1x67 s ARG 75 Cb -0.07 -0.83 -0.03 0.00 -1.56 0.00 0.00 34.95 32.46 1x67 s ARG 75 CO 0.38 -0.62 0.09 0.14 -0.81 0.00 0.00 175.30 174.48 1x67 s VAL 76 N 2.42 0.83 -0.05 7.11 -7.23 -1.14 -4.95 120.40 117.40 1x67 s VAL 76 Ca 0.09 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.27 1x67 s VAL 76 Cb -0.15 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 1x67 s VAL 76 CO -0.13 0.00 -0.05 -1.59 -0.31 0.00 0.00 175.10 173.01 1x67 s LYS 77 N -3.77 2.74 0.83 4.82 -2.85 -1.26 -0.11 119.74 120.14 1x67 s LYS 77 Ca 0.23 -0.57 -0.11 0.00 -1.00 0.00 0.00 55.97 54.52 1x67 s LYS 77 Cb 0.04 -2.60 0.09 0.00 -2.06 0.00 0.00 37.83 33.29 1x67 s LYS 77 CO 0.13 0.65 1.09 -0.51 0.10 0.00 0.00 175.35 176.81 1x67 s ASP 78 N -1.02 4.00 -0.05 0.03 1.11 -0.98 -4.87 116.67 114.89 1x67 s ASP 78 Ca 0.14 1.65 -0.25 0.00 0.18 0.00 0.00 52.55 54.28 1x67 s ASP 78 Cb -0.11 -2.34 -0.23 0.00 1.07 0.00 0.00 42.92 41.31 1x67 s ASP 78 CO 0.04 -2.33 1.05 1.55 1.18 0.00 0.00 175.17 176.66 1x67 h PRO 79 N -1.33 0.15 0.00 8.23 0.13 -1.91 -2.50 132.00 134.76 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 0.87 -0.93 -0.91 -0.23 0.00 0.00 178.00 177.34 1x67 h ASN 80 N -0.51 0.00 -0.65 1.44 2.35 -1.94 -3.38 115.58 112.90 1x67 h ASN 80 Ca -0.02 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.41 1x67 h ASN 80 Cb 0.94 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.27 1x67 h ASN 80 CO 0.04 1.18 0.39 0.77 -1.65 0.00 0.00 177.43 178.16 1x67 h SER 81 N -1.00 0.80 -1.10 5.81 4.64 -1.96 -3.45 113.55 117.28 1x67 h SER 81 Ca -0.20 -0.05 -0.42 0.00 -0.47 0.00 0.00 61.79 60.65 1x67 h SER 81 Cb 0.97 -0.20 -0.15 0.00 -0.31 0.00 0.00 62.40 62.70 1x67 h SER 81 CO -0.12 0.62 -0.39 0.61 -0.87 0.00 0.00 176.83 176.68 1x67 n GLY 82 N -1.30 1.78 3.79 -0.77 0.00 -0.94 -4.91 105.19 102.83 1x67 n GLY 82 Ca 0.07 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.71 3.78 -0.37 0.99 1.43 -1.26 -4.70 118.68 113.84 1x67 s LEU 83 Ca 0.00 -0.10 -0.28 0.00 -1.03 0.00 0.00 54.13 52.72 1x67 s LEU 83 Cb 0.00 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 1x67 s LEU 83 CO 0.00 0.10 1.76 -2.16 0.23 0.00 0.00 176.35 176.28 1x67 s PRO 84 N -2.86 3.28 0.41 1.29 0.04 -1.26 -2.33 135.00 133.57 1x67 s PRO 84 Ca 0.30 1.27 0.08 0.00 0.04 0.00 0.00 61.00 62.69 1x67 s PRO 84 Cb -0.11 -4.20 -0.01 0.00 0.04 0.00 0.00 34.50 30.22 1x67 s PRO 84 CO 0.23 -1.93 0.42 0.15 0.04 0.00 0.00 177.00 175.90 1x67 s LYS 85 N 5.74 2.63 -0.09 4.56 -0.14 0.84 -4.97 119.74 128.31 1x67 s LYS 85 Ca 0.76 -1.43 0.03 0.00 -1.36 0.00 0.00 55.97 53.97 1x67 s LYS 85 Cb -0.20 -2.48 0.01 0.00 -1.68 0.00 0.00 37.83 33.47 1x67 s LYS 85 CO 0.32 -0.18 -0.19 -0.06 -0.76 0.00 0.00 175.35 174.48 1x67 s PHE 86 N -2.42 2.13 0.01 3.18 0.08 -1.26 -2.90 117.98 116.80 1x67 s PHE 86 Ca 0.49 -0.87 0.03 0.00 0.12 0.00 0.00 56.93 56.71 1x67 s PHE 86 Cb -0.05 -1.47 -0.03 0.00 -0.57 0.00 0.00 43.02 40.90 1x67 s PHE 86 CO 0.29 -0.38 -0.07 0.08 -0.10 0.00 0.00 175.22 175.05 1x67 s VAL 87 N 0.51 3.65 -0.19 -0.44 1.01 -1.19 -0.12 120.40 123.62 1x67 s VAL 87 Ca -0.16 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1x67 s VAL 87 Cb -0.17 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.65 1x67 s VAL 87 CO 0.06 0.38 -0.17 -0.22 0.00 0.00 0.00 175.10 175.15 1x67 s LEU 88 N -1.47 2.35 -0.13 3.92 1.98 -0.55 -3.56 118.68 121.22 1x67 s LEU 88 Ca 0.17 -0.80 -0.00 0.00 -2.89 0.00 0.00 54.13 50.61 1x67 s LEU 88 Cb -0.11 -1.44 -0.01 0.00 0.66 0.00 0.00 46.19 45.29 1x67 s LEU 88 CO 0.08 -0.06 -0.13 -0.63 -1.89 0.00 0.00 176.35 173.73 1x67 s ILE 89 N 1.28 3.05 -1.15 6.68 1.01 -1.10 -0.82 121.20 130.15 1x67 s ILE 89 Ca 0.02 -0.66 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 1x67 s ILE 89 Cb -0.15 -2.28 0.26 0.00 0.01 0.00 0.00 42.46 40.29 1x67 s ILE 89 CO -0.11 0.52 1.37 0.59 0.00 0.00 0.00 174.94 177.31 1x67 n ASN 90 N 3.60 5.68 -4.66 3.58 3.02 -0.61 -2.68 115.26 123.19 1x67 n ASN 90 Ca -0.18 -3.14 -0.51 0.00 -0.03 0.00 0.00 54.58 50.72 1x67 n ASN 90 Cb 0.53 -1.40 -0.05 0.00 -0.61 0.00 0.00 39.78 38.25 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 2.97 2.06 -3.44 3.10 -0.00 -0.80 -4.05 117.44 117.28 1x67 n TRP 91 Ca 0.29 0.34 -0.28 0.00 -0.00 0.00 0.00 57.50 57.84 1x67 n TRP 91 Cb 0.38 -2.51 -0.11 0.00 -0.00 0.00 0.00 31.31 29.06 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 2.28 0.12 0.42 5.87 2.01 -1.24 -2.26 115.64 122.84 1x67 s THR 92 Ca 0.88 -1.76 -0.24 0.00 0.31 0.00 0.00 61.69 60.88 1x67 s THR 92 Cb -0.83 -1.10 -0.11 0.00 0.01 0.00 0.00 72.50 70.47 1x67 s THR 92 CO 0.50 -0.99 0.99 0.61 -0.69 0.00 0.00 174.62 175.03 1x67 n GLY 93 N 3.92 -0.28 0.20 4.40 0.00 -1.26 -4.39 105.19 107.79 1x67 n GLY 93 Ca 0.14 0.14 -0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 1.51 0.19 -0.01 1.61 -0.00 -1.88 -2.65 114.58 113.36 1x67 h GLU 94 Ca -0.44 -0.08 0.00 0.00 -0.00 0.00 0.00 59.36 58.84 1x67 h GLU 94 Cb 1.34 -0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 30.08 1x67 h GLU 94 CO 0.57 0.52 0.09 0.78 -0.00 0.00 0.00 179.01 180.97 1x67 h GLY 95 N 1.11 0.00 -6.03 1.06 0.00 -1.86 -3.41 103.07 93.94 1x67 h GLY 95 Ca 0.02 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.79 1x67 h GLY 95 CO 0.05 0.00 1.11 0.14 0.00 0.00 0.00 176.54 177.84 1x67 s VAL 96 N -4.18 3.75 0.40 4.60 1.01 -1.00 -4.95 120.40 120.04 1x67 s VAL 96 Ca -0.05 0.85 -0.25 0.00 0.00 0.00 0.00 61.98 62.54 1x67 s VAL 96 Cb 0.12 -3.77 -0.11 0.00 0.00 0.00 0.00 36.38 32.63 1x67 s VAL 96 CO 0.39 -0.31 0.98 -0.46 0.00 0.00 0.00 175.10 175.70 1x67 n ASN 97 N 8.32 1.14 -0.33 3.32 6.94 -1.26 -4.71 115.26 128.67 1x67 n ASN 97 Ca 0.18 1.05 0.13 0.00 -0.02 0.00 0.00 54.58 55.92 1x67 n ASN 97 Cb 0.45 -1.33 0.34 0.00 -2.36 0.00 0.00 39.78 36.88 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 1.56 0.75 -0.44 0.53 3.32 -1.92 0.25 116.42 120.46 1x67 h ASP 98 Ca -0.44 0.08 0.13 0.00 0.02 0.00 0.00 57.03 56.82 1x67 h ASP 98 Cb 1.34 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 1x67 h ASP 98 CO 0.57 0.30 0.38 0.58 -1.72 0.00 0.00 179.24 179.35 1x67 h VAL 99 N 0.75 0.55 0.14 -1.35 2.07 -2.01 -0.60 116.25 115.79 1x67 h VAL 99 Ca 0.54 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.73 1x67 h VAL 99 Cb 0.87 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1x67 h VAL 99 CO -0.32 0.00 -1.72 -0.09 0.02 0.00 0.00 177.57 175.46 1x67 h ARG 100 N 0.00 0.29 -0.94 1.57 9.65 -0.84 -3.28 114.38 120.82 1x67 h ARG 100 Ca 0.21 -0.49 0.19 0.00 -1.10 0.00 0.00 59.98 58.78 1x67 h ARG 100 Cb 0.97 0.18 -0.08 0.00 -1.39 0.00 0.00 29.97 29.65 1x67 h ARG 100 CO -0.00 1.16 0.60 0.87 2.80 0.00 0.00 179.97 185.40 1x67 h LYS 101 N 0.08 0.58 0.00 0.20 1.57 -0.65 0.34 116.57 118.69 1x67 h LYS 101 Ca -0.32 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1x67 h LYS 101 Cb 2.05 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.23 1x67 h LYS 101 CO 0.15 0.39 -0.14 0.78 -0.57 0.00 0.00 179.45 180.05 1x67 h GLY 102 N 0.60 0.00 1.27 3.86 0.00 -1.62 -2.93 103.07 104.26 1x67 h GLY 102 Ca 0.50 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.61 1x67 h GLY 102 CO -0.25 0.00 -1.39 0.00 0.00 0.00 0.00 176.54 174.89 1x67 h ALA 103 N 2.05 0.65 0.00 3.60 0.00 -0.57 -3.34 119.26 121.65 1x67 h ALA 103 Ca 0.00 -1.12 -0.13 0.00 0.00 0.00 0.00 54.91 53.66 1x67 h ALA 103 Cb 0.97 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1x67 h ALA 103 CO 0.00 1.28 -0.74 0.00 0.00 0.00 0.00 179.25 179.79 1x67 h ALA 105 N 1.44 1.57 -0.15 0.00 0.00 -1.63 -0.75 119.26 119.73 1x67 h ALA 105 Ca -0.04 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1x67 h ALA 105 Cb 1.46 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1x67 h ALA 105 CO 0.07 0.31 0.10 0.77 0.00 0.00 0.00 179.25 180.50 1x67 h SER 106 N 0.94 0.14 0.75 0.00 0.02 -1.73 -1.22 113.55 112.46 1x67 h SER 106 Ca 0.36 -0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.12 1x67 h SER 106 Cb 0.19 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1x67 h SER 106 CO -0.12 0.10 -0.86 0.45 -1.14 0.00 0.00 176.83 175.26 1x67 h HIS 107 N 0.17 0.10 -0.88 3.45 3.86 -1.33 -3.22 115.15 117.30 1x67 h HIS 107 Ca 0.06 -0.06 0.20 0.00 -1.16 0.00 0.00 60.37 59.41 1x67 h HIS 107 Cb 0.04 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.43 1x67 h HIS 107 CO -0.00 0.89 0.58 0.28 0.86 0.00 0.00 177.93 180.55 1x67 h VAL 108 N 0.04 0.69 -0.55 2.45 2.07 -0.87 0.18 116.25 120.25 1x67 h VAL 108 Ca -0.02 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1x67 h VAL 108 Cb 1.51 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1x67 h VAL 108 CO 0.12 0.07 0.25 0.28 0.02 0.00 0.00 177.57 178.31 1x67 h SER 109 N 0.40 0.71 0.00 0.57 0.02 -1.59 0.24 113.55 113.90 1x67 h SER 109 Ca 0.45 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 1x67 h SER 109 Cb 1.13 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1x67 h SER 109 CO -0.17 0.62 -0.03 0.74 -1.14 0.00 0.00 176.83 176.85 1x67 h THR 110 N 0.78 1.77 -0.42 -2.27 2.02 -0.88 -3.22 112.91 110.69 1x67 h THR 110 Ca 0.19 -2.29 0.01 0.00 0.77 0.00 0.00 66.41 65.09 1x67 h THR 110 Cb 0.11 3.32 -0.02 0.00 -1.74 0.00 0.00 68.15 69.82 1x67 h THR 110 CO -0.02 0.60 0.27 0.24 0.37 0.00 0.00 175.52 176.98 1x67 h MET 111 N -0.95 0.54 -0.79 6.66 2.07 -1.08 -2.36 114.93 119.02 1x67 h MET 111 Ca -0.01 -0.03 0.14 0.00 -2.07 0.00 0.00 59.70 57.74 1x67 h MET 111 Cb 0.99 -0.12 -0.09 0.00 -1.87 0.00 0.00 31.60 30.51 1x67 h MET 111 CO 0.01 0.36 0.35 0.00 1.07 0.00 0.00 176.91 178.70 1x67 h ALA 112 N 1.16 1.14 -0.21 6.32 0.00 -0.66 -0.75 119.26 126.26 1x67 h ALA 112 Ca 0.15 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1x67 h ALA 112 Cb -0.06 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1x67 h ALA 112 CO -0.04 -0.17 0.07 1.03 0.00 0.00 0.00 179.25 180.15 1x67 h SER 113 N 0.51 0.30 0.31 0.00 0.87 -1.46 -3.20 113.55 110.88 1x67 h SER 113 Ca 0.43 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1x67 h SER 113 Cb 0.64 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 1x67 h SER 113 CO -0.39 0.40 -0.35 0.15 -0.53 0.00 0.00 176.83 176.12 1x67 h PHE 114 N 0.17 -0.95 0.00 2.24 3.57 -0.79 -3.14 116.94 118.04 1x67 h PHE 114 Ca 0.07 0.01 -0.64 0.00 3.53 0.00 0.00 57.97 60.94 1x67 h PHE 114 Cb 0.21 0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1x67 h PHE 114 CO -0.00 -0.49 3.06 1.28 -2.23 0.00 0.00 178.31 179.93 1x67 n LEU 115 N -5.45 6.45 -4.77 0.59 4.77 -0.39 -4.93 117.00 113.27 1x67 n LEU 115 Ca -0.09 -3.75 -0.29 0.00 -0.03 0.00 0.00 56.01 51.85 1x67 n LEU 115 Cb 0.36 -1.44 0.14 0.00 -2.33 0.00 0.00 43.42 40.15 1x67 n LEU 115 CO 0.27 0.95 0.70 -0.54 -1.33 0.00 0.00 177.39 177.45 1x67 s LYS 116 N 3.37 0.97 0.00 3.23 -0.14 -1.19 -4.03 119.74 121.95 1x67 s LYS 116 Ca 0.54 0.30 0.00 0.00 -1.36 0.00 0.00 55.97 55.45 1x67 s LYS 116 Cb 0.14 -1.82 0.00 0.00 -1.68 0.00 0.00 37.83 34.48 1x67 s LYS 116 CO -0.03 -2.31 0.00 0.41 -0.76 0.00 0.00 175.35 172.66 1x67 n GLY 117 N -2.05 3.19 3.50 -3.33 0.00 -1.26 -4.98 105.19 100.25 1x67 n GLY 117 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 0.84 0.19 4.61 0.00 -1.26 -4.39 120.51 119.31 1x67 n ALA 118 Ca 0.00 -0.40 0.05 0.00 0.00 0.00 0.00 53.44 53.09 1x67 n ALA 118 Cb 0.00 -2.72 0.33 0.00 0.00 0.00 0.00 19.45 17.06 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 14.77 0.00 -3.67 0.00 3.86 -0.91 -3.45 115.15 125.75 1x67 h HIS 119 Ca -0.22 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 58.82 1x67 h HIS 119 Cb 1.30 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 29.54 1x67 h HIS 119 CO 0.99 0.38 -0.61 0.08 0.86 0.00 0.00 177.93 179.63 1x67 s VAL 120 N -3.60 0.06 -0.03 2.45 1.01 -1.21 -4.89 120.40 114.19 1x67 s VAL 120 Ca 0.00 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.56 1x67 s VAL 120 Cb 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 1x67 s VAL 120 CO 0.69 -0.27 -0.25 -0.89 0.00 0.00 0.00 175.10 174.38 1x67 s THR 121 N -0.85 1.96 -0.03 3.92 2.01 -1.26 -1.49 115.64 119.91 1x67 s THR 121 Ca -0.09 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.86 1x67 s THR 121 Cb -0.06 -1.64 0.03 0.00 0.01 0.00 0.00 72.50 70.84 1x67 s THR 121 CO 0.00 0.55 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.85 1x67 s ILE 122 N -0.46 0.19 -0.70 1.82 1.01 -0.00 -4.98 121.20 118.08 1x67 s ILE 122 Ca 0.06 0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.70 1x67 s ILE 122 Cb -0.11 -0.27 0.18 0.00 0.01 0.00 0.00 42.46 42.27 1x67 s ILE 122 CO 0.00 0.14 0.58 0.20 0.00 0.00 0.00 174.94 175.86 1x67 s ASN 123 N 0.95 5.91 0.16 3.58 -0.87 -1.26 -1.58 114.94 121.84 1x67 s ASN 123 Ca -0.10 -2.74 0.00 0.00 -1.57 0.00 0.00 52.86 48.45 1x67 s ASN 123 Cb -0.13 -2.01 0.00 0.00 -0.02 0.00 0.00 41.25 39.08 1x67 s ASN 123 CO -0.02 -0.47 0.00 0.00 -2.57 0.00 0.00 177.10 174.04 1x67 n ALA 124 N 3.76 0.00 0.00 0.60 0.00 -1.26 -4.97 120.51 118.64 1x67 n ALA 124 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1x67 n ALA 124 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.99 0.00 -3.38 0.00 3.00 -1.26 -3.58 116.66 110.45 1x67 n ARG 125 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.85 57.64 1x67 n ARG 125 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 32.46 32.31 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 -1.21 4.24 0.23 7.54 0.00 -1.26 -4.02 121.76 127.28 1x67 s ALA 126 Ca 0.00 -1.81 0.21 0.00 0.00 0.00 0.00 51.96 50.36 1x67 s ALA 126 Cb 0.00 -1.22 0.91 0.00 0.00 0.00 0.00 23.12 22.81 1x67 s ALA 126 CO 0.00 -0.27 1.84 0.93 0.00 0.00 0.00 175.76 178.26 1x67 h GLU 127 N 0.87 0.00 0.00 0.00 5.08 -1.96 -2.62 114.58 115.94 1x67 h GLU 127 Ca -0.40 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.90 1x67 h GLU 127 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1x67 h GLU 127 CO 0.53 0.28 -0.29 1.05 -1.00 0.00 0.00 179.01 179.59 1x67 h GLU 128 N 0.00 0.00 -0.84 2.33 4.11 -2.01 -2.94 114.58 115.23 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 0.72 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.84 1x67 h GLU 128 CO 0.04 0.29 0.27 -0.25 0.07 0.00 0.00 179.01 179.42 1x67 n ASP 129 N -3.35 4.14 -0.98 3.06 8.00 -0.99 -3.98 116.55 122.46 1x67 n ASP 129 Ca 0.01 -3.01 -0.01 0.00 0.71 0.00 0.00 54.79 52.49 1x67 n ASP 129 Cb 0.51 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.69 2.53 0.24 -1.11 -4.63 118.33 113.50 1x67 n VAL 130 Ca 0.35 -0.31 -0.30 0.00 -2.04 0.00 0.00 64.34 62.04 1x67 n VAL 130 Cb 1.22 0.56 0.05 0.00 -1.47 0.00 0.00 33.84 34.21 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 2.77 0.17 7.34 8.01 -1.23 -4.84 118.70 130.92 1x67 s GLU 131 Ca 0.10 0.71 -0.22 0.00 0.01 0.00 0.00 54.97 55.57 1x67 s GLU 131 Cb 0.12 -1.99 0.07 0.00 -4.31 0.00 0.00 34.13 28.02 1x67 s GLU 131 CO -0.05 -1.15 1.60 -1.35 0.01 0.00 0.00 175.26 174.31 1x67 h PRO 132 N -0.75 -0.22 -0.53 0.39 0.11 -1.94 -0.30 132.00 128.76 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 32.38 1x67 h PRO 132 CO 0.60 -0.15 -0.00 1.05 -0.21 0.00 0.00 178.00 179.29 1x67 h GLU 133 N -0.23 0.94 -0.15 1.05 4.11 -1.97 0.20 114.58 118.53 1x67 h GLU 133 Ca 0.18 -0.30 0.04 0.00 0.07 0.00 0.00 59.36 59.36 1x67 h GLU 133 Cb 0.53 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1x67 h GLU 133 CO -0.56 0.96 0.15 0.00 0.07 0.00 0.00 179.01 179.63 1x67 n ILE 135 N -3.92 1.60 0.24 0.00 5.41 -0.22 -4.27 119.36 118.20 1x67 n ILE 135 Ca 0.01 -0.47 0.07 0.00 1.00 0.00 0.00 62.75 63.36 1x67 n ILE 135 Cb 0.27 -1.72 0.58 0.00 -0.71 0.00 0.00 39.64 38.06 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 -0.35 0.00 0.00 0.38 2.86 -0.25 -1.25 114.93 116.33 1x67 h MET 136 Ca -0.51 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.09 1x67 h MET 136 Cb 1.78 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.44 1x67 h MET 136 CO -0.12 0.14 -0.17 0.93 1.06 0.00 0.00 176.91 178.75 1x67 h GLU 137 N 0.00 0.00 0.00 1.72 4.39 -0.76 -2.62 114.58 117.31 1x67 h GLU 137 Ca -0.00 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.47 1x67 h GLU 137 Cb 0.26 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 1x67 h GLU 137 CO 0.02 0.17 -1.86 1.63 -1.16 0.00 0.00 179.01 177.81 1x67 n LYS 138 N -3.84 0.65 -0.25 2.33 5.02 -0.61 -4.23 118.16 117.23 1x67 n LYS 138 Ca -0.02 0.10 -0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1x67 n LYS 138 Cb 0.27 -1.67 0.13 0.00 -0.02 0.00 0.00 35.03 33.73 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 1.24 -0.49 -0.18 2.07 -0.91 -2.36 116.25 115.62 1x67 h VAL 139 Ca -0.28 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.52 1x67 h VAL 139 Cb 1.78 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1x67 h VAL 139 CO 0.04 0.30 0.33 0.00 0.02 0.00 0.00 177.57 178.26 1x67 h ALA 140 N 1.29 1.66 -1.44 1.67 0.00 -1.67 -3.38 119.26 117.39 1x67 h ALA 140 Ca 0.26 -0.03 -0.54 0.00 0.00 0.00 0.00 54.91 54.59 1x67 h ALA 140 Cb 0.15 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 1x67 h ALA 140 CO -0.03 0.31 1.04 0.45 0.00 0.00 0.00 179.25 181.03 1x67 s SER 141 N -6.60 6.23 0.00 0.00 0.15 -0.89 -4.93 113.70 107.66 1x67 s SER 141 Ca -0.09 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.32 1x67 s SER 141 Cb 0.18 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1x67 s SER 141 CO 0.74 -1.74 0.00 0.61 1.20 0.00 0.00 173.24 174.06 1x67 n GLY 142 N 5.28 2.11 3.68 9.45 0.00 -1.26 -4.98 105.19 119.48 1x67 n GLY 142 Ca 0.05 -2.13 -0.52 0.00 0.00 0.00 0.00 46.02 43.42 1x67 n GLY 142 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1x67 n PRO 143 N -0.85 1.57 -4.43 1.61 -0.02 -1.26 -4.98 135.00 126.64 1x67 n PRO 143 Ca 0.00 0.57 -0.26 0.00 -2.02 0.00 0.00 63.50 61.80 1x67 n PRO 143 Cb 0.00 -2.31 -0.11 0.00 -0.02 0.00 0.00 33.50 31.06 1x67 n PRO 143 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1x67 s SER 144 N 2.83 3.52 0.03 2.55 0.15 -1.26 -5.07 113.70 116.45 1x67 s SER 144 Ca 0.92 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1x67 s SER 144 Cb -0.89 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 1x67 s SER 144 CO 0.55 0.09 0.00 -1.20 1.20 0.00 0.00 173.24 173.88 1x67 n SER 145 N -0.04 0.20 0.00 5.45 7.64 -1.26 -5.33 113.62 120.28 1x67 n SER 145 Ca -0.10 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1x67 n SER 145 Cb 0.57 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1x67 n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64