#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 -8.13 -2.64 1.61 2.88 -1.26 -4.84 113.62 101.24 1x67 n SER 2 Ca 0.00 0.66 -0.01 0.00 -1.33 0.00 0.00 58.87 58.18 1x67 n SER 2 Cb 0.00 -4.26 0.09 0.00 -0.75 0.00 0.00 64.21 59.29 1x67 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x67 n SER 3 N -4.32 -0.16 0.00 -3.46 7.64 -1.26 -5.11 113.62 106.95 1x67 n SER 3 Ca -0.00 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 57.75 1x67 n SER 3 Cb 0.66 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 1x67 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x67 n GLY 4 N -1.06 2.97 2.16 0.23 0.00 -1.26 -5.03 105.19 103.20 1x67 n GLY 4 Ca -0.08 -1.73 -0.26 0.00 0.00 0.00 0.00 46.02 43.95 1x67 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x67 n SER 5 N 0.00 5.33 -3.01 1.61 7.64 -1.26 -4.79 113.62 119.14 1x67 n SER 5 Ca 0.00 -3.75 -0.24 0.00 1.01 0.00 0.00 58.87 55.88 1x67 n SER 5 Cb 0.00 -0.46 -0.04 0.00 -1.01 0.00 0.00 64.21 62.70 1x67 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x67 n SER 6 N -0.69 3.40 0.00 6.43 7.64 -1.26 -4.82 113.62 124.32 1x67 n SER 6 Ca 0.46 -3.49 0.00 0.00 1.01 0.00 0.00 58.87 56.85 1x67 n SER 6 Cb 0.86 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1x67 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x67 n GLY 7 N -0.09 0.47 3.15 0.23 0.00 -1.26 -4.98 105.19 102.71 1x67 n GLY 7 Ca 0.29 0.63 -0.23 0.00 0.00 0.00 0.00 46.02 46.71 1x67 n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x67 n MET 8 N 0.00 -4.90 -4.03 1.61 2.81 -1.26 -4.98 117.12 106.37 1x67 n MET 8 Ca 0.00 0.82 -0.10 0.00 -1.81 0.00 0.00 57.70 56.61 1x67 n MET 8 Cb 0.00 -5.67 -0.11 0.00 -0.71 0.00 0.00 33.22 26.73 1x67 n MET 8 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x67 s ALA 9 N -3.15 0.37 0.40 3.04 0.00 -1.26 -4.66 121.76 116.49 1x67 s ALA 9 Ca 0.35 -0.79 -0.27 0.00 0.00 0.00 0.00 51.96 51.26 1x67 s ALA 9 Cb -0.16 0.14 -0.10 0.00 0.00 0.00 0.00 23.12 22.99 1x67 s ALA 9 CO 0.44 -0.16 1.37 0.00 0.00 0.00 0.00 175.76 177.41 1x67 n ALA 10 N 1.22 1.77 -0.08 0.00 0.00 -1.26 -4.76 120.51 117.40 1x67 n ALA 10 Ca -0.21 0.31 -0.08 0.00 0.00 0.00 0.00 53.44 53.45 1x67 n ALA 10 Cb 0.56 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 1x67 n ALA 10 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1x67 n ASN 11 N 0.33 1.77 -2.06 0.00 5.15 -1.26 -4.98 115.26 114.21 1x67 n ASN 11 Ca 0.04 0.30 -0.19 0.00 -0.60 0.00 0.00 54.58 54.14 1x67 n ASN 11 Cb 0.39 -0.71 -0.04 0.00 -0.53 0.00 0.00 39.78 38.89 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 -4.28 -1.58 -0.12 1.20 4.32 -1.26 -4.85 117.00 110.42 1x67 n LEU 12 Ca -0.13 0.21 -0.26 0.00 -0.02 0.00 0.00 56.01 55.81 1x67 n LEU 12 Cb 0.47 -2.68 -0.11 0.00 -1.62 0.00 0.00 43.42 39.48 1x67 n LEU 12 CO 0.19 -0.51 -1.06 -0.24 -1.22 0.00 0.00 177.39 174.55 1x67 n SER 13 N -1.62 1.92 -0.07 -1.43 2.88 -1.26 -3.60 113.62 110.43 1x67 n SER 13 Ca -0.21 0.37 -0.07 0.00 -1.33 0.00 0.00 58.87 57.63 1x67 n SER 13 Cb 0.64 -0.88 -0.01 0.00 -0.75 0.00 0.00 64.21 63.22 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 -0.98 -0.13 -1.29 -1.46 3.08 -1.93 -1.91 114.38 109.76 1x67 h ARG 14 Ca -0.56 0.01 -0.69 0.00 0.07 0.00 0.00 59.98 58.81 1x67 h ARG 14 Cb 1.50 0.03 -0.30 0.00 0.08 0.00 0.00 29.97 31.28 1x67 h ARG 14 CO -0.33 -0.09 0.76 0.09 -1.07 0.00 0.00 179.97 179.34 1x67 n ASN 15 N -5.34 7.37 0.07 7.04 3.02 -1.26 -4.78 115.26 121.39 1x67 n ASN 15 Ca 0.00 -3.80 -0.05 0.00 -0.03 0.00 0.00 54.58 50.71 1x67 n ASN 15 Cb 0.25 -0.94 -0.03 0.00 -0.61 0.00 0.00 39.78 38.45 1x67 n ASN 15 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1x67 h GLY 16 N 2.32 -0.85 0.10 7.41 0.00 -1.40 0.21 103.07 110.86 1x67 h GLY 16 Ca 0.57 0.38 0.17 0.00 0.00 0.00 0.00 47.33 48.45 1x67 h GLY 16 CO 1.47 -0.30 0.46 -2.55 0.00 0.00 0.00 176.54 175.63 1x67 h PRO 17 N -0.26 0.58 0.44 4.80 0.11 -1.86 0.20 132.00 136.02 1x67 h PRO 17 Ca -0.02 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1x67 h PRO 17 Cb 0.23 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.21 1x67 h PRO 17 CO -0.02 0.38 -0.21 0.00 -0.21 0.00 0.00 178.00 177.94 1x67 h ALA 18 N 1.61 -0.59 -0.54 -0.75 0.00 -1.89 -1.09 119.26 116.01 1x67 h ALA 18 Ca 0.51 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.28 1x67 h ALA 18 Cb 0.80 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1x67 h ALA 18 CO -0.41 -0.74 0.31 -0.07 0.00 0.00 0.00 179.25 178.35 1x67 h LEU 19 N -0.78 0.50 -1.94 0.00 3.38 -0.04 -1.14 115.31 115.30 1x67 h LEU 19 Ca -0.06 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1x67 h LEU 19 Cb 0.54 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1x67 h LEU 19 CO 0.10 0.35 -0.08 -0.61 0.09 0.00 0.00 178.44 178.29 1x67 h GLN 20 N 0.62 0.00 0.10 1.13 4.15 -0.58 -2.55 115.11 117.98 1x67 h GLN 20 Ca 0.22 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 1x67 h GLN 20 Cb 0.05 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.74 1x67 h GLN 20 CO -0.11 0.08 -0.05 1.49 -1.93 0.00 0.00 178.83 178.31 1x67 h GLU 21 N 0.00 -0.13 -0.02 1.69 4.81 0.04 0.24 114.58 121.20 1x67 h GLU 21 Ca -0.00 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1x67 h GLU 21 Cb 0.16 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1x67 h GLU 21 CO 0.01 0.34 0.06 0.00 -0.73 0.00 0.00 179.01 178.69 1x67 h ALA 22 N 0.12 1.22 0.00 2.92 0.00 -1.14 0.21 119.26 122.59 1x67 h ALA 22 Ca -0.01 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1x67 h ALA 22 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1x67 h ALA 22 CO 0.02 -0.07 -1.16 0.98 0.00 0.00 0.00 179.25 179.02 1x67 n TYR 23 N -3.27 0.83 0.31 0.00 4.19 -0.98 -3.67 117.16 114.57 1x67 n TYR 23 Ca -0.02 0.36 0.20 0.00 3.31 0.00 0.00 57.90 61.74 1x67 n TYR 23 Cb 0.14 -0.96 1.01 0.00 0.49 0.00 0.00 39.34 40.02 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 0.13 0.04 2.97 3.04 -0.30 -2.73 116.25 118.39 1x67 h VAL 24 Ca -0.26 -0.19 -0.00 0.00 -1.01 0.00 0.00 66.70 65.24 1x67 h VAL 24 Cb 1.08 1.16 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 1x67 h VAL 24 CO -0.16 0.02 -0.02 0.03 -1.01 0.00 0.00 177.57 176.43 1x67 h ARG 25 N 0.00 -0.05 -0.85 4.17 3.08 -0.76 -2.10 114.38 117.88 1x67 h ARG 25 Ca -0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.14 1x67 h ARG 25 Cb 0.16 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.15 1x67 h ARG 25 CO 0.00 0.61 0.51 0.28 -1.07 0.00 0.00 179.97 180.30 1x67 h VAL 26 N -0.80 0.96 0.00 2.04 2.07 -1.56 -0.67 116.25 118.29 1x67 h VAL 26 Ca -0.00 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 1x67 h VAL 26 Cb 0.68 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1x67 h VAL 26 CO 0.01 0.16 -0.45 -0.37 0.02 0.00 0.00 177.57 176.94 1x67 h VAL 27 N 0.88 1.07 -3.59 2.57 -1.51 -1.58 -3.41 116.25 110.68 1x67 h VAL 27 Ca 0.39 -1.69 -0.65 0.00 -1.23 0.00 0.00 66.70 63.52 1x67 h VAL 27 Cb 0.29 1.98 -0.15 0.00 -2.13 0.00 0.00 31.29 31.28 1x67 h VAL 27 CO -0.22 0.44 0.11 -0.89 -1.23 0.00 0.00 177.57 175.78 1x67 s THR 28 N -3.64 4.85 0.11 7.19 2.01 -0.26 -4.91 115.64 121.00 1x67 s THR 28 Ca -0.01 0.17 0.32 0.00 0.31 0.00 0.00 61.69 62.48 1x67 s THR 28 Cb 0.12 -4.17 0.36 0.00 0.01 0.00 0.00 72.50 68.82 1x67 s THR 28 CO 0.71 -0.53 1.96 1.05 -0.69 0.00 0.00 174.62 177.11 1x67 h GLU 29 N 8.80 0.00 -0.08 4.92 4.11 -1.80 -3.22 114.58 127.30 1x67 h GLU 29 Ca -0.26 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.21 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 0.88 0.04 -0.35 -0.22 0.07 0.00 0.00 179.01 179.43 1x67 h LYS 30 N 0.00 -0.44 -7.18 1.06 1.63 -1.91 -3.42 116.57 106.31 1x67 h LYS 30 Ca -0.00 0.03 -0.49 0.00 -0.85 0.00 0.00 60.65 59.34 1x67 h LYS 30 Cb 0.55 0.10 0.05 0.00 -0.60 0.00 0.00 32.23 32.34 1x67 h LYS 30 CO 0.01 -0.29 0.25 -1.12 -3.45 0.00 0.00 179.45 174.85 1x67 s SER 31 N -4.88 5.89 -0.78 4.20 0.01 -1.22 -5.00 113.70 111.92 1x67 s SER 31 Ca -0.15 1.00 -0.26 0.00 1.31 0.00 0.00 55.95 57.84 1x67 s SER 31 Cb 0.10 -2.06 0.03 0.00 0.21 0.00 0.00 66.02 64.30 1x67 s SER 31 CO 0.65 -0.94 1.30 -2.16 0.41 0.00 0.00 173.24 172.50 1x67 s PRO 32 N -5.03 3.25 -0.28 12.44 0.04 -1.26 -4.94 135.00 139.22 1x67 s PRO 32 Ca 0.53 -0.38 -0.19 0.00 0.04 0.00 0.00 61.00 61.00 1x67 s PRO 32 Cb -0.11 -4.36 0.09 0.00 0.04 0.00 0.00 34.50 30.16 1x67 s PRO 32 CO 0.48 -2.15 0.74 0.99 0.04 0.00 0.00 177.00 177.10 1x67 s THR 33 N 5.59 0.00 -0.03 1.26 2.01 -1.26 -4.77 115.64 118.44 1x67 s THR 33 Ca 0.36 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.36 1x67 s THR 33 Cb -0.07 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 1x67 s THR 33 CO 0.11 0.00 -0.03 -0.67 -0.69 0.00 0.00 174.62 173.34 1x67 n ASP 34 N 3.76 2.96 -3.73 3.53 -0.08 0.59 -4.62 116.55 118.96 1x67 n ASP 34 Ca -0.18 -0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 52.86 1x67 n ASP 34 Cb 0.58 -0.06 -0.07 0.00 2.34 0.00 0.00 41.12 43.91 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 -2.72 0.09 -3.42 -0.67 4.27 -1.09 -2.09 117.44 111.80 1x67 n TRP 35 Ca -0.06 -2.50 0.01 0.00 -3.89 0.00 0.00 57.50 51.06 1x67 n TRP 35 Cb 0.56 0.01 -0.03 0.00 -1.36 0.00 0.00 31.31 30.48 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 -3.07 -2.51 -0.02 -1.67 0.00 -0.93 -4.01 121.76 109.55 1x67 s ALA 36 Ca 0.21 2.06 -0.02 0.00 0.00 0.00 0.00 51.96 54.20 1x67 s ALA 36 Cb 0.01 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 1x67 s ALA 36 CO 0.15 -1.05 0.15 -1.17 0.00 0.00 0.00 175.76 173.84 1x67 s LEU 37 N 2.70 4.23 -0.07 0.00 2.96 -0.30 -1.67 118.68 126.53 1x67 s LEU 37 Ca -0.00 0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 54.18 1x67 s LEU 37 Cb -0.10 -2.48 0.03 0.00 0.50 0.00 0.00 46.19 44.15 1x67 s LEU 37 CO -0.18 0.28 0.03 -0.36 -1.32 0.00 0.00 176.35 174.79 1x67 s PHE 38 N -1.27 0.46 0.31 5.38 0.08 -0.68 -0.14 117.98 122.13 1x67 s PHE 38 Ca 0.25 -0.06 0.05 0.00 0.12 0.00 0.00 56.93 57.30 1x67 s PHE 38 Cb -0.12 -0.70 -0.06 0.00 -0.57 0.00 0.00 43.02 41.57 1x67 s PHE 38 CO 0.16 -0.30 0.00 -0.08 -0.10 0.00 0.00 175.22 174.90 1x67 s THR 39 N 2.04 1.45 0.70 0.64 -1.32 0.32 -2.06 115.64 117.42 1x67 s THR 39 Ca 0.05 -2.05 -0.15 0.00 -1.21 0.00 0.00 61.69 58.33 1x67 s THR 39 Cb -0.12 -2.65 0.02 0.00 -1.51 0.00 0.00 72.50 68.24 1x67 s THR 39 CO -0.05 -0.14 1.15 -0.31 -2.21 0.00 0.00 174.62 173.06 1x67 s TYR 40 N -3.12 2.36 -0.06 9.09 2.02 -1.26 -0.14 117.35 126.22 1x67 s TYR 40 Ca 0.33 1.58 -0.10 0.00 -0.37 0.00 0.00 57.07 58.51 1x67 s TYR 40 Cb 0.07 -3.29 -0.06 0.00 -0.40 0.00 0.00 41.96 38.28 1x67 s TYR 40 CO 0.14 -2.09 0.41 1.49 -1.57 0.00 0.00 175.55 173.93 1x67 h GLU 41 N -0.22 -0.28 0.00 -0.62 4.81 -1.73 -3.44 114.58 113.10 1x67 h GLU 41 Ca -0.47 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1x67 h GLU 41 Cb 1.27 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1x67 h GLU 41 CO 0.52 -0.13 0.00 0.41 -0.73 0.00 0.00 179.01 179.07 1x67 n GLY 42 N 0.98 3.48 2.00 1.92 0.00 -1.26 -5.02 105.19 107.29 1x67 n GLY 42 Ca -0.04 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 1x67 n GLY 42 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x67 n ASN 43 N 0.00 5.43 -4.02 1.61 2.85 -1.26 -5.00 115.26 114.87 1x67 n ASN 43 Ca 0.00 -3.77 -0.10 0.00 -0.11 0.00 0.00 54.58 50.60 1x67 n ASN 43 Cb 0.00 -0.57 -0.07 0.00 1.24 0.00 0.00 39.78 40.39 1x67 n ASN 43 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1x67 s SER 44 N -2.95 -0.02 -0.43 1.20 1.04 -1.26 -5.11 113.70 106.18 1x67 s SER 44 Ca 0.54 -0.98 -0.28 0.00 0.48 0.00 0.00 55.95 55.71 1x67 s SER 44 Cb 0.44 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 67.07 1x67 s SER 44 CO 0.02 -1.02 1.58 0.20 0.98 0.00 0.00 173.24 175.00 1x67 s ASN 45 N -3.03 6.06 -0.31 7.02 0.01 -1.26 -4.61 114.94 118.82 1x67 s ASN 45 Ca 0.24 0.84 -0.10 0.00 -0.71 0.00 0.00 52.86 53.13 1x67 s ASN 45 Cb 0.02 -2.54 0.21 0.00 0.41 0.00 0.00 41.25 39.35 1x67 s ASN 45 CO 0.07 -1.65 1.15 -1.81 -1.51 0.00 0.00 177.10 173.35 1x67 s ASP 46 N 5.09 -0.09 0.24 -1.22 1.01 -1.26 -4.27 116.67 116.16 1x67 s ASP 46 Ca 0.66 -0.10 -0.30 0.00 0.71 0.00 0.00 52.55 53.52 1x67 s ASP 46 Cb -0.16 0.12 -0.10 0.00 1.01 0.00 0.00 42.92 43.79 1x67 s ASP 46 CO 0.31 -0.01 1.47 -0.63 0.21 0.00 0.00 175.17 176.53 1x67 s ILE 47 N 1.25 2.61 0.10 0.77 -1.09 -1.26 -2.40 121.20 121.17 1x67 s ILE 47 Ca 0.20 0.50 -0.02 0.00 -2.23 0.00 0.00 60.65 59.10 1x67 s ILE 47 Cb 0.12 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.65 1x67 s ILE 47 CO -0.13 0.07 0.06 0.00 -1.23 0.00 0.00 174.94 173.71 1x67 s ARG 48 N -0.12 0.84 0.43 2.79 1.70 0.80 -4.29 118.95 121.10 1x67 s ARG 48 Ca 0.61 -1.31 -0.24 0.00 -0.47 0.00 0.00 55.73 54.32 1x67 s ARG 48 Cb -0.43 0.25 -0.11 0.00 -0.57 0.00 0.00 34.95 34.10 1x67 s ARG 48 CO 0.42 -0.23 0.93 0.28 -1.08 0.00 0.00 175.30 175.62 1x67 n VAL 49 N -0.04 2.39 -0.01 4.99 0.31 -1.26 -0.52 118.33 124.20 1x67 n VAL 49 Ca -0.09 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 63.73 1x67 n VAL 49 Cb 0.63 -1.04 -0.01 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 1.97 0.00 3.52 0.00 0.80 -4.51 120.51 121.69 1x67 n ALA 50 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1x67 n ALA 50 Cb 0.39 0.34 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 3.17 2.00 3.09 0.00 0.00 -1.19 -4.96 105.19 107.30 1x67 n GLY 51 Ca -0.02 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 1x67 n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x67 s THR 52 N -1.96 0.70 0.29 2.61 -4.23 -1.26 -1.16 115.64 110.63 1x67 s THR 52 Ca 0.00 -1.15 -0.17 0.00 -1.18 0.00 0.00 61.69 59.19 1x67 s THR 52 Cb 0.00 -0.74 0.02 0.00 1.34 0.00 0.00 72.50 73.11 1x67 s THR 52 CO 0.00 -0.34 0.65 -0.83 -0.54 0.00 0.00 174.62 173.56 1x67 s GLY 53 N -1.63 0.20 -0.10 3.99 0.00 -1.26 -5.05 107.32 103.48 1x67 s GLY 53 Ca -0.08 -0.57 0.16 0.00 0.00 0.00 0.00 44.72 44.24 1x67 s GLY 53 CO 0.01 -0.30 1.17 1.18 0.00 0.00 0.00 173.10 175.16 1x67 n GLU 54 N -0.45 0.81 0.00 2.90 4.71 -1.26 -0.30 120.64 127.05 1x67 n GLU 54 Ca -0.04 -2.53 0.05 0.00 -0.01 0.00 0.00 57.16 54.64 1x67 n GLU 54 Cb 0.60 -0.90 -0.12 0.00 -1.01 0.00 0.00 31.44 30.01 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 -0.44 -1.12 0.00 0.62 0.00 -1.26 -4.79 105.19 98.19 1x67 n GLY 55 Ca 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 1.37 -0.56 0.30 -0.02 0.00 -1.26 -4.60 105.19 100.42 1x67 n GLY 56 Ca -0.10 -2.21 -0.00 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 0.76 -2.02 0.99 3.38 -1.98 0.18 115.31 116.62 1x67 h LEU 57 Ca 0.00 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.14 1x67 h LEU 57 Cb 0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1x67 h LEU 57 CO 0.00 0.49 0.41 -0.33 0.09 0.00 0.00 178.44 179.10 1x67 h GLU 58 N 0.89 0.00 0.00 1.13 5.08 -1.96 0.45 114.58 120.17 1x67 h GLU 58 Ca 0.35 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.49 1x67 h GLU 58 Cb 0.16 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1x67 h GLU 58 CO -0.17 0.00 -1.93 -1.91 -1.00 0.00 0.00 179.01 174.00 1x67 n GLU 59 N -4.14 0.66 0.08 2.33 4.07 -0.22 -4.10 120.64 119.31 1x67 n GLU 59 Ca 0.09 0.04 -0.13 0.00 -0.06 0.00 0.00 57.16 57.11 1x67 n GLU 59 Cb 0.62 -1.63 -0.08 0.00 -0.06 0.00 0.00 31.44 30.28 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 -0.50 5.31 4.05 0.13 -3.08 114.93 120.62 1x67 h MET 60 Ca -0.28 0.01 0.13 0.00 -0.28 0.00 0.00 59.70 59.28 1x67 h MET 60 Cb 1.73 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 32.56 1x67 h MET 60 CO 0.03 0.16 0.35 -0.39 0.23 0.00 0.00 176.91 177.29 1x67 h VAL 61 N -0.65 0.79 -0.27 -5.77 -1.51 -1.28 0.42 116.25 107.98 1x67 h VAL 61 Ca -0.02 -0.03 0.08 0.00 -1.23 0.00 0.00 66.70 65.49 1x67 h VAL 61 Cb 0.48 0.69 -0.01 0.00 -2.13 0.00 0.00 31.29 30.32 1x67 h VAL 61 CO 0.04 0.02 0.28 -0.33 -1.23 0.00 0.00 177.57 176.35 1x67 h GLU 62 N 0.09 0.00 0.04 5.19 4.39 -1.69 -0.13 114.58 122.48 1x67 h GLU 62 Ca 0.24 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.64 1x67 h GLU 62 Cb 0.82 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.43 1x67 h GLU 62 CO -0.02 0.00 -1.65 0.93 -1.16 0.00 0.00 179.01 177.11 1x67 h GLU 63 N 0.00 0.09 -6.21 2.33 4.39 -1.01 -3.46 114.58 110.71 1x67 h GLU 63 Ca 0.13 -0.15 -0.67 0.00 0.34 0.00 0.00 59.36 59.01 1x67 h GLU 63 Cb 0.69 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1x67 h GLU 63 CO -0.00 0.78 1.04 1.28 -1.16 0.00 0.00 179.01 180.95 1x67 n LEU 64 N -3.22 2.97 -4.43 1.33 4.77 -0.06 -4.94 117.00 113.41 1x67 n LEU 64 Ca -0.18 0.98 -0.36 0.00 -0.03 0.00 0.00 56.01 56.43 1x67 n LEU 64 Cb 1.04 -1.27 -0.13 0.00 -2.33 0.00 0.00 43.42 40.73 1x67 n LEU 64 CO 0.46 -0.23 -0.31 0.21 -1.33 0.00 0.00 177.39 176.19 1x67 s ASN 65 N 4.07 4.96 -0.73 -1.43 2.47 -1.26 -5.02 114.94 118.00 1x67 s ASN 65 Ca 0.96 -0.22 -0.26 0.00 0.42 0.00 0.00 52.86 53.76 1x67 s ASN 65 Cb -0.85 -1.88 -0.01 0.00 -1.45 0.00 0.00 41.25 37.06 1x67 s ASN 65 CO 0.57 -0.00 1.76 -0.94 -3.72 0.00 0.00 177.10 174.77 1x67 s SER 66 N 1.42 5.47 0.00 -4.21 1.04 -1.26 -2.95 113.70 113.21 1x67 s SER 66 Ca 0.05 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.32 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 0.02 -2.32 0.00 0.61 0.98 0.00 0.00 173.24 172.53 1x67 n GLY 67 N 6.01 0.31 3.07 7.32 0.00 -1.26 -4.68 105.19 115.96 1x67 n GLY 67 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 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 1.42 0.10 1.61 1.02 -1.15 -4.26 119.74 118.47 1x67 s LYS 68 Ca 0.00 -0.46 -0.31 0.00 0.02 0.00 0.00 55.97 55.22 1x67 s LYS 68 Cb 0.00 -1.26 -0.08 0.00 -0.52 0.00 0.00 37.83 35.98 1x67 s LYS 68 CO 0.00 0.17 1.37 0.08 -0.92 0.00 0.00 175.35 176.05 1x67 s VAL 69 N 0.16 3.41 0.26 3.17 1.01 -1.26 -4.21 120.40 122.93 1x67 s VAL 69 Ca -0.04 1.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.91 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 0.02 0.07 0.30 -0.04 0.00 0.00 0.00 175.10 175.45 1x67 s MET 70 N 1.18 1.49 -0.09 2.72 -1.94 -0.98 -4.56 119.30 117.12 1x67 s MET 70 Ca 0.64 -1.61 0.01 0.00 -1.71 0.00 0.00 55.69 53.01 1x67 s MET 70 Cb -0.36 0.36 0.02 0.00 2.01 0.00 0.00 34.83 36.86 1x67 s MET 70 CO 0.30 -0.56 -0.10 0.71 -0.01 0.00 0.00 175.02 175.36 1x67 s TYR 71 N -3.83 1.48 -0.09 -0.03 1.51 -0.87 -1.93 117.35 113.59 1x67 s TYR 71 Ca 0.34 -0.64 -0.02 0.00 -1.01 0.00 0.00 57.07 55.73 1x67 s TYR 71 Cb 0.03 -1.15 -0.03 0.00 -0.11 0.00 0.00 41.96 40.70 1x67 s TYR 71 CO 0.15 -0.39 0.00 0.00 -1.11 0.00 0.00 175.55 174.20 1x67 s ALA 72 N 1.14 3.28 -0.36 3.71 0.00 -1.08 -1.68 121.76 126.77 1x67 s ALA 72 Ca -0.05 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.10 1x67 s ALA 72 Cb -0.14 -1.51 0.12 0.00 0.00 0.00 0.00 23.12 21.59 1x67 s ALA 72 CO -0.02 0.55 0.17 0.12 0.00 0.00 0.00 175.76 176.58 1x67 s PHE 73 N -0.76 1.36 0.55 0.00 5.36 -0.67 -2.79 117.98 121.03 1x67 s PHE 73 Ca 0.12 -1.80 0.06 0.00 -0.96 0.00 0.00 56.93 54.35 1x67 s PHE 73 Cb -0.12 -1.46 0.06 0.00 -0.34 0.00 0.00 43.02 41.17 1x67 s PHE 73 CO 0.02 -0.83 0.76 0.00 -1.46 0.00 0.00 175.22 173.71 1x67 s ARG 75 N -4.67 0.09 0.14 0.00 3.52 -0.89 -3.28 118.95 113.86 1x67 s ARG 75 Ca 0.60 0.11 0.05 0.00 -0.13 0.00 0.00 55.73 56.36 1x67 s ARG 75 Cb -0.07 -1.37 -0.04 0.00 -1.56 0.00 0.00 34.95 31.90 1x67 s ARG 75 CO 0.38 -0.60 -0.11 0.14 -0.81 0.00 0.00 175.30 174.30 1x67 s VAL 76 N 2.22 1.15 -0.05 7.11 -7.23 -1.08 -4.96 120.40 117.56 1x67 s VAL 76 Ca 0.04 -1.97 -0.15 0.00 -1.81 0.00 0.00 61.98 58.09 1x67 s VAL 76 Cb -0.15 -1.75 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 1x67 s VAL 76 CO -0.09 -0.69 0.40 -1.59 -0.31 0.00 0.00 175.10 172.82 1x67 s LYS 77 N -3.50 4.05 0.99 4.82 -2.85 -1.26 -0.29 119.74 121.70 1x67 s LYS 77 Ca 0.14 0.37 -0.12 0.00 -1.00 0.00 0.00 55.97 55.36 1x67 s LYS 77 Cb 0.01 -3.30 0.14 0.00 -2.06 0.00 0.00 37.83 32.63 1x67 s LYS 77 CO 0.01 0.51 0.83 -0.25 0.10 0.00 0.00 175.35 176.55 1x67 n ASP 78 N 2.47 -0.92 -0.03 0.03 9.92 -0.31 -4.87 116.55 122.85 1x67 n ASP 78 Ca -0.12 0.24 -0.14 0.00 -0.53 0.00 0.00 54.79 54.23 1x67 n ASP 78 Cb 0.52 -1.32 -0.11 0.00 -0.64 0.00 0.00 41.12 39.57 1x67 n ASP 78 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1x67 h PRO 79 N -1.98 0.14 0.00 -0.24 0.13 -1.92 -3.18 132.00 124.95 1x67 h PRO 79 Ca -0.48 -0.13 -0.45 0.00 -0.87 0.00 0.00 66.00 64.08 1x67 h PRO 79 Cb 1.29 0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.39 1x67 h PRO 79 CO 0.40 0.82 -2.46 0.09 -0.23 0.00 0.00 178.00 176.62 1x67 n ASN 80 N -4.59 1.96 -0.26 1.44 3.02 -1.26 -4.43 115.26 111.14 1x67 n ASN 80 Ca -0.09 0.30 0.18 0.00 -0.03 0.00 0.00 54.58 54.93 1x67 n ASN 80 Cb 0.43 -0.79 0.47 0.00 -0.61 0.00 0.00 39.78 39.29 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 -0.89 0.48 -0.94 6.41 0.02 -1.97 -3.45 113.55 113.21 1x67 h SER 81 Ca -0.67 0.05 -0.35 0.00 -0.84 0.00 0.00 61.79 59.98 1x67 h SER 81 Cb 1.63 -0.04 -0.13 0.00 0.14 0.00 0.00 62.40 64.00 1x67 h SER 81 CO -0.38 0.20 -0.32 0.61 -1.14 0.00 0.00 176.83 175.79 1x67 n GLY 82 N -1.48 1.51 3.54 -3.77 0.00 -1.20 -4.95 105.19 98.83 1x67 n GLY 82 Ca 0.20 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1x67 n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x67 s LEU 83 N -3.93 2.85 -0.28 0.99 1.43 -1.26 -4.81 118.68 113.67 1x67 s LEU 83 Ca 0.00 -0.60 -0.29 0.00 -1.03 0.00 0.00 54.13 52.21 1x67 s LEU 83 Cb 0.00 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 1x67 s LEU 83 CO 0.00 0.13 1.60 -2.16 0.23 0.00 0.00 176.35 176.15 1x67 s PRO 84 N -2.63 3.66 0.30 1.29 0.04 -1.26 -1.16 135.00 135.24 1x67 s PRO 84 Ca 0.23 1.45 0.08 0.00 0.04 0.00 0.00 61.00 62.80 1x67 s PRO 84 Cb -0.09 -4.06 -0.04 0.00 0.04 0.00 0.00 34.50 30.35 1x67 s PRO 84 CO 0.13 -1.46 0.17 0.15 0.04 0.00 0.00 177.00 176.03 1x67 s LYS 85 N 4.91 2.62 -0.07 4.56 -0.14 0.61 -4.97 119.74 127.25 1x67 s LYS 85 Ca 0.71 -1.31 0.03 0.00 -1.36 0.00 0.00 55.97 54.04 1x67 s LYS 85 Cb -0.22 -2.37 -0.02 0.00 -1.68 0.00 0.00 37.83 33.54 1x67 s LYS 85 CO 0.30 0.24 -0.15 -0.06 -0.76 0.00 0.00 175.35 174.93 1x67 s PHE 86 N -2.29 2.70 -0.00 3.18 0.08 -1.26 -2.62 117.98 117.77 1x67 s PHE 86 Ca 0.36 -0.36 0.06 0.00 0.12 0.00 0.00 56.93 57.11 1x67 s PHE 86 Cb -0.06 -1.69 -0.03 0.00 -0.57 0.00 0.00 43.02 40.68 1x67 s PHE 86 CO 0.24 0.03 -0.18 0.08 -0.10 0.00 0.00 175.22 175.29 1x67 s VAL 87 N -0.36 2.76 -0.19 -0.44 1.01 -1.21 -0.12 120.40 121.86 1x67 s VAL 87 Ca 0.03 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1x67 s VAL 87 Cb -0.12 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.18 1x67 s VAL 87 CO 0.02 0.47 -0.17 -0.22 0.00 0.00 0.00 175.10 175.21 1x67 s LEU 88 N -1.03 2.28 -0.12 3.92 1.98 -0.76 -3.68 118.68 121.27 1x67 s LEU 88 Ca 0.13 -0.76 0.01 0.00 -2.89 0.00 0.00 54.13 50.62 1x67 s LEU 88 Cb -0.10 -1.43 -0.01 0.00 0.66 0.00 0.00 46.19 45.31 1x67 s LEU 88 CO 0.02 -0.05 -0.17 -0.63 -1.89 0.00 0.00 176.35 173.63 1x67 s ILE 89 N 1.30 2.63 -1.15 6.68 1.01 -1.12 -0.90 121.20 129.65 1x67 s ILE 89 Ca 0.02 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.78 1x67 s ILE 89 Cb -0.14 -2.08 0.25 0.00 0.01 0.00 0.00 42.46 40.50 1x67 s ILE 89 CO -0.11 0.54 1.40 0.59 0.00 0.00 0.00 174.94 177.35 1x67 n ASN 90 N 3.60 5.68 -4.67 3.58 3.02 -0.51 -2.65 115.26 123.31 1x67 n ASN 90 Ca -0.19 -3.15 -0.51 0.00 -0.03 0.00 0.00 54.58 50.71 1x67 n ASN 90 Cb 0.53 -1.40 -0.05 0.00 -0.61 0.00 0.00 39.78 38.24 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 3.01 2.08 -3.54 3.10 -0.00 -0.81 -3.99 117.44 117.29 1x67 n TRP 91 Ca 0.29 0.32 -0.29 0.00 -0.00 0.00 0.00 57.50 57.82 1x67 n TRP 91 Cb 0.38 -2.52 -0.13 0.00 -0.00 0.00 0.00 31.31 29.04 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 2.49 0.47 0.16 5.87 2.01 -1.22 -2.33 115.64 123.09 1x67 s THR 92 Ca 0.89 -1.87 -0.34 0.00 0.31 0.00 0.00 61.69 60.69 1x67 s THR 92 Cb -0.84 -1.35 -0.15 0.00 0.01 0.00 0.00 72.50 70.18 1x67 s THR 92 CO 0.51 -0.94 1.41 0.61 -0.69 0.00 0.00 174.62 175.52 1x67 n GLY 93 N 4.00 0.70 0.23 4.40 0.00 -1.26 -4.30 105.19 108.97 1x67 n GLY 93 Ca 0.10 0.61 0.05 0.00 0.00 0.00 0.00 46.02 46.78 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 4.77 0.04 -0.05 1.61 4.11 -1.89 -2.06 114.58 121.11 1x67 h GLU 94 Ca -0.45 -0.01 0.01 0.00 0.07 0.00 0.00 59.36 58.98 1x67 h GLU 94 Cb 1.29 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1x67 h GLU 94 CO 0.80 0.18 0.15 0.78 0.07 0.00 0.00 179.01 180.99 1x67 h GLY 95 N 0.48 0.00 -4.81 1.06 0.00 -1.87 -3.41 103.07 94.53 1x67 h GLY 95 Ca 0.01 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.80 1x67 h GLY 95 CO 0.02 0.00 0.80 0.14 0.00 0.00 0.00 176.54 177.50 1x67 s VAL 96 N -4.30 3.73 1.22 4.60 1.01 -0.78 -5.00 120.40 120.89 1x67 s VAL 96 Ca -0.04 1.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.89 1x67 s VAL 96 Cb 0.13 -3.73 0.25 0.00 0.00 0.00 0.00 36.38 33.03 1x67 s VAL 96 CO 0.42 0.01 0.55 -0.46 0.00 0.00 0.00 175.10 175.62 1x67 n ASN 97 N 5.17 -3.03 0.09 3.32 6.94 -1.26 -4.73 115.26 121.75 1x67 n ASN 97 Ca 0.13 -0.45 -0.22 0.00 -0.02 0.00 0.00 54.58 54.01 1x67 n ASN 97 Cb 0.44 -0.97 -0.14 0.00 -2.36 0.00 0.00 39.78 36.75 1x67 n ASN 97 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1x67 h ASP 98 N -2.88 0.78 -0.33 0.53 3.32 -1.94 -2.40 116.42 113.50 1x67 h ASP 98 Ca -0.43 -0.87 0.10 0.00 0.02 0.00 0.00 57.03 55.85 1x67 h ASP 98 Cb 1.18 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 1x67 h ASP 98 CO 0.30 1.57 0.28 0.58 -1.72 0.00 0.00 179.24 180.25 1x67 h VAL 99 N 0.10 0.64 0.11 -1.35 2.07 -2.00 -1.96 116.25 113.86 1x67 h VAL 99 Ca -0.19 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.00 1x67 h VAL 99 Cb 1.89 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1x67 h VAL 99 CO 0.23 0.00 -1.74 -0.09 0.02 0.00 0.00 177.57 175.98 1x67 h ARG 100 N 0.00 0.23 -0.90 1.57 9.65 -1.91 -3.24 114.38 119.77 1x67 h ARG 100 Ca 0.16 -0.39 0.19 0.00 -1.10 0.00 0.00 59.98 58.84 1x67 h ARG 100 Cb 0.71 0.14 -0.07 0.00 -1.39 0.00 0.00 29.97 29.36 1x67 h ARG 100 CO -0.00 1.19 0.59 0.87 2.80 0.00 0.00 179.97 185.41 1x67 h LYS 101 N -0.19 0.45 0.00 0.20 1.57 -0.84 0.34 116.57 118.10 1x67 h LYS 101 Ca -0.38 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1x67 h LYS 101 Cb 1.86 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.07 1x67 h LYS 101 CO 0.04 0.30 -0.40 0.78 -0.57 0.00 0.00 179.45 179.60 1x67 h GLY 102 N 0.46 0.00 1.26 3.86 0.00 -1.54 -3.05 103.07 104.06 1x67 h GLY 102 Ca 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.65 1x67 h GLY 102 CO -0.19 0.00 -1.19 0.00 0.00 0.00 0.00 176.54 175.16 1x67 h ALA 103 N 2.04 0.65 0.00 3.60 0.00 -0.55 -3.34 119.26 121.66 1x67 h ALA 103 Ca 0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 54.91 54.01 1x67 h ALA 103 Cb 0.98 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1x67 h ALA 103 CO 0.00 0.86 -0.96 0.00 0.00 0.00 0.00 179.25 179.15 1x67 h ALA 105 N 1.39 1.51 -0.22 0.00 0.00 -1.65 -1.75 119.26 118.54 1x67 h ALA 105 Ca -0.08 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1x67 h ALA 105 Cb 1.53 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1x67 h ALA 105 CO 0.07 0.41 0.15 0.77 0.00 0.00 0.00 179.25 180.65 1x67 h SER 106 N 0.75 0.14 0.96 0.00 0.02 -1.71 -0.05 113.55 113.66 1x67 h SER 106 Ca 0.20 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.06 1x67 h SER 106 Cb 0.01 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1x67 h SER 106 CO -0.03 0.09 -0.42 0.45 -1.14 0.00 0.00 176.83 175.78 1x67 h HIS 107 N 0.16 0.00 -0.87 3.45 3.86 -1.51 -3.14 115.15 117.11 1x67 h HIS 107 Ca 0.10 0.00 0.22 0.00 -1.16 0.00 0.00 60.37 59.53 1x67 h HIS 107 Cb 0.19 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.61 1x67 h HIS 107 CO -0.00 0.42 0.60 0.28 0.86 0.00 0.00 177.93 180.09 1x67 h VAL 108 N 0.00 0.63 -0.42 2.45 2.07 -0.94 0.26 116.25 120.29 1x67 h VAL 108 Ca -0.00 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1x67 h VAL 108 Cb 1.01 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1x67 h VAL 108 CO 0.05 0.04 0.08 -1.28 0.02 0.00 0.00 177.57 176.49 1x67 h SER 109 N 0.20 0.59 0.04 0.57 0.87 -1.66 0.29 113.55 114.46 1x67 h SER 109 Ca 0.44 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1x67 h SER 109 Cb 1.39 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1x67 h SER 109 CO -0.09 0.60 -0.02 0.74 -0.53 0.00 0.00 176.83 177.53 1x67 h THR 110 N 0.62 0.72 -0.50 2.23 2.02 -0.72 -3.22 112.91 114.06 1x67 h THR 110 Ca 0.14 -1.45 0.08 0.00 0.77 0.00 0.00 66.41 65.95 1x67 h THR 110 Cb 0.26 1.33 -0.06 0.00 -1.74 0.00 0.00 68.15 67.94 1x67 h THR 110 CO -0.00 0.23 0.13 0.24 0.37 0.00 0.00 175.52 176.50 1x67 h MET 111 N -0.99 0.27 -1.00 6.66 2.07 -1.33 -1.01 114.93 119.61 1x67 h MET 111 Ca -0.01 -0.02 0.18 0.00 -2.07 0.00 0.00 59.70 57.79 1x67 h MET 111 Cb 0.43 -0.06 -0.10 0.00 -1.87 0.00 0.00 31.60 29.99 1x67 h MET 111 CO 0.01 0.18 0.62 0.00 1.07 0.00 0.00 176.91 178.79 1x67 h ALA 112 N 1.37 1.68 -0.46 6.32 0.00 -1.07 0.53 119.26 127.62 1x67 h ALA 112 Ca 0.25 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 1x67 h ALA 112 Cb 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1x67 h ALA 112 CO -0.29 -0.03 -0.13 0.77 0.00 0.00 0.00 179.25 179.57 1x67 h SER 113 N 0.78 0.91 0.41 0.00 0.02 -1.21 -3.26 113.55 111.21 1x67 h SER 113 Ca 0.56 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1x67 h SER 113 Cb 0.85 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1x67 h SER 113 CO -0.35 1.07 -0.20 0.15 -1.14 0.00 0.00 176.83 176.36 1x67 h PHE 114 N 0.74 -0.51 -0.26 3.45 3.57 -0.45 -3.29 116.94 120.19 1x67 h PHE 114 Ca 0.12 -0.01 -0.71 0.00 3.53 0.00 0.00 57.97 60.90 1x67 h PHE 114 Cb 0.68 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 1x67 h PHE 114 CO 0.05 -0.21 3.15 1.28 -2.23 0.00 0.00 178.31 180.35 1x67 n LEU 115 N -5.24 7.45 -4.93 0.59 4.77 -0.00 -4.95 117.00 114.69 1x67 n LEU 115 Ca -0.11 -4.32 -0.29 0.00 -0.03 0.00 0.00 56.01 51.27 1x67 n LEU 115 Cb 0.28 -1.59 0.16 0.00 -2.33 0.00 0.00 43.42 39.94 1x67 n LEU 115 CO 0.32 1.48 0.81 -0.54 -1.33 0.00 0.00 177.39 178.13 1x67 s LYS 116 N 2.25 1.05 0.00 3.23 -0.14 -1.24 -4.30 119.74 120.59 1x67 s LYS 116 Ca 0.53 -0.40 0.00 0.00 -1.36 0.00 0.00 55.97 54.73 1x67 s LYS 116 Cb 0.15 -1.94 0.00 0.00 -1.68 0.00 0.00 37.83 34.36 1x67 s LYS 116 CO -0.07 -2.11 0.00 0.41 -0.76 0.00 0.00 175.35 172.82 1x67 n GLY 117 N -3.54 3.17 3.68 -3.33 0.00 -1.26 -5.01 105.19 98.89 1x67 n GLY 117 Ca 0.14 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.18 0.99 0.11 4.61 0.00 -1.26 -4.43 120.51 119.35 1x67 n ALA 118 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1x67 n ALA 118 Cb 0.00 -2.45 -0.02 0.00 0.00 0.00 0.00 19.45 16.99 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 8.14 0.00 -3.42 0.00 3.86 -0.90 -3.46 115.15 119.37 1x67 h HIS 119 Ca -0.47 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 58.58 1x67 h HIS 119 Cb 1.27 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 29.51 1x67 h HIS 119 CO 0.80 0.60 -0.50 0.08 0.86 0.00 0.00 177.93 179.77 1x67 s VAL 120 N -2.91 0.05 0.06 2.45 1.01 -1.23 -5.07 120.40 114.76 1x67 s VAL 120 Ca 0.02 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 61.70 1x67 s VAL 120 Cb 0.08 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 1x67 s VAL 120 CO 0.77 -0.21 -0.23 -0.89 0.00 0.00 0.00 175.10 174.54 1x67 s THR 121 N -0.74 2.44 -0.04 3.92 2.01 -1.26 -1.82 115.64 120.15 1x67 s THR 121 Ca -0.08 -1.36 -0.01 0.00 0.31 0.00 0.00 61.69 60.55 1x67 s THR 121 Cb -0.05 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 70.49 1x67 s THR 121 CO 0.01 0.31 0.07 -0.63 -0.69 0.00 0.00 174.62 173.69 1x67 s ILE 122 N -0.90 -0.05 -0.71 1.82 1.01 -0.08 -4.98 121.20 117.32 1x67 s ILE 122 Ca 0.13 0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.90 1x67 s ILE 122 Cb -0.10 -0.13 0.18 0.00 0.01 0.00 0.00 42.46 42.42 1x67 s ILE 122 CO 0.04 0.08 0.57 0.20 0.00 0.00 0.00 174.94 175.83 1x67 s ASN 123 N 1.05 5.85 0.15 3.58 -0.87 -1.26 -1.42 114.94 122.01 1x67 s ASN 123 Ca -0.09 -2.79 0.02 0.00 -1.57 0.00 0.00 52.86 48.43 1x67 s ASN 123 Cb -0.12 -2.00 0.02 0.00 -0.02 0.00 0.00 41.25 39.13 1x67 s ASN 123 CO -0.04 -0.45 0.15 0.00 -2.57 0.00 0.00 177.10 174.19 1x67 n ALA 124 N 3.68 0.20 0.00 0.60 0.00 -1.26 -4.98 120.51 118.75 1x67 n ALA 124 Ca 0.10 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1x67 n ALA 124 Cb 0.41 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.24 0.00 -3.51 0.00 1.74 -1.26 -3.37 116.66 109.02 1x67 n ARG 125 Ca 0.03 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.92 1x67 n ARG 125 Cb 0.11 -0.16 -0.01 0.00 -1.02 0.00 0.00 32.46 31.38 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 -1.22 4.19 0.32 7.54 0.00 -1.26 -4.01 121.76 127.32 1x67 s ALA 126 Ca 0.00 -1.50 0.23 0.00 0.00 0.00 0.00 51.96 50.70 1x67 s ALA 126 Cb 0.00 -1.60 1.14 0.00 0.00 0.00 0.00 23.12 22.66 1x67 s ALA 126 CO 0.00 -0.03 1.95 0.93 0.00 0.00 0.00 175.76 178.60 1x67 h GLU 127 N 0.94 0.00 0.00 0.00 5.08 -1.97 -2.27 114.58 116.36 1x67 h GLU 127 Ca -0.45 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.84 1x67 h GLU 127 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1x67 h GLU 127 CO 0.53 0.21 -0.29 1.05 -1.00 0.00 0.00 179.01 179.51 1x67 h GLU 128 N 0.00 0.00 -0.84 2.33 4.11 -2.01 -2.95 114.58 115.22 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 0.53 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.66 1x67 h GLU 128 CO 0.03 0.29 0.26 -0.25 0.07 0.00 0.00 179.01 179.41 1x67 n ASP 129 N -3.34 4.15 -0.98 3.06 8.00 -0.85 -3.98 116.55 122.60 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 0.52 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 40.89 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 -1.54 2.53 0.24 -1.12 -4.64 118.33 113.64 1x67 n VAL 130 Ca 0.35 -0.31 -0.30 0.00 -2.04 0.00 0.00 64.34 62.03 1x67 n VAL 130 Cb 1.22 0.56 0.07 0.00 -1.47 0.00 0.00 33.84 34.23 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 2.44 0.17 7.34 8.01 -1.23 -4.85 118.70 130.57 1x67 s GLU 131 Ca 0.11 0.80 -0.23 0.00 0.01 0.00 0.00 54.97 55.66 1x67 s GLU 131 Cb 0.12 -1.95 0.06 0.00 -4.31 0.00 0.00 34.13 28.06 1x67 s GLU 131 CO -0.05 -1.41 1.60 -1.35 0.01 0.00 0.00 175.26 174.05 1x67 h PRO 132 N -0.94 -0.24 -0.23 0.39 0.11 -1.94 -0.55 132.00 128.60 1x67 h PRO 132 Ca -0.46 0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.57 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 0.58 -0.16 -0.27 1.05 -0.21 0.00 0.00 178.00 178.99 1x67 h GLU 133 N -0.25 0.45 -0.08 1.05 4.11 -1.97 -0.74 114.58 117.15 1x67 h GLU 133 Ca 0.18 -0.17 0.02 0.00 0.07 0.00 0.00 59.36 59.46 1x67 h GLU 133 Cb 0.54 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1x67 h GLU 133 CO -0.55 0.68 0.08 0.00 0.07 0.00 0.00 179.01 179.29 1x67 n ILE 135 N -3.96 1.57 0.29 0.00 5.41 -0.71 -4.28 119.36 117.67 1x67 n ILE 135 Ca -0.01 -0.46 0.13 0.00 1.00 0.00 0.00 62.75 63.41 1x67 n ILE 135 Cb 0.18 -1.70 0.84 0.00 -0.71 0.00 0.00 39.64 38.24 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 -0.40 0.00 0.00 0.38 2.86 -0.90 -0.26 114.93 116.60 1x67 h MET 136 Ca -0.55 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.03 1x67 h MET 136 Cb 1.76 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.42 1x67 h MET 136 CO -0.16 0.02 -0.31 0.93 1.06 0.00 0.00 176.91 178.45 1x67 h GLU 137 N 0.00 0.00 0.00 1.72 3.07 -1.11 -3.00 114.58 115.26 1x67 h GLU 137 Ca -0.00 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.63 1x67 h GLU 137 Cb 0.06 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.92 1x67 h GLU 137 CO 0.00 0.31 -1.85 1.63 -1.40 0.00 0.00 179.01 177.70 1x67 n LYS 138 N -3.64 0.65 -0.04 2.33 5.02 -0.25 -4.19 118.16 118.04 1x67 n LYS 138 Ca -0.01 0.10 0.02 0.00 -2.02 0.00 0.00 58.31 56.40 1x67 n LYS 138 Cb 0.43 -1.67 0.34 0.00 -0.02 0.00 0.00 35.03 34.11 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 1.16 -0.59 -0.18 2.07 -1.04 -2.19 116.25 115.47 1x67 h VAL 139 Ca -0.28 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 1x67 h VAL 139 Cb 1.78 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1x67 h VAL 139 CO 0.04 0.18 0.21 0.00 0.02 0.00 0.00 177.57 178.03 1x67 h ALA 140 N 1.60 1.27 -1.43 1.67 0.00 -1.70 -3.41 119.26 117.26 1x67 h ALA 140 Ca 0.16 -0.17 -0.49 0.00 0.00 0.00 0.00 54.91 54.41 1x67 h ALA 140 Cb 0.09 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1x67 h ALA 140 CO -0.02 0.53 1.63 0.45 0.00 0.00 0.00 179.25 181.84 1x67 n SER 141 N -4.31 2.16 0.00 0.00 2.88 -0.83 -4.67 113.62 108.86 1x67 n SER 141 Ca 0.05 -0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 1x67 n SER 141 Cb 0.18 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.15 1x67 n SER 141 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x67 n GLY 142 N 6.07 -1.99 3.70 0.46 0.00 -1.26 -5.00 105.19 107.18 1x67 n GLY 142 Ca 0.40 0.95 -0.54 0.00 0.00 0.00 0.00 46.02 46.83 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 0.00 1.54 -3.54 1.61 -0.02 -1.26 -4.96 135.00 128.37 1x67 n PRO 143 Ca 0.00 0.57 -0.24 0.00 -2.02 0.00 0.00 63.50 61.80 1x67 n PRO 143 Cb 0.00 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.15 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 3.71 6.32 -0.07 2.55 0.15 -1.26 -5.11 113.70 120.00 1x67 s SER 144 Ca 0.96 0.39 -0.03 0.00 0.70 0.00 0.00 55.95 57.97 1x67 s SER 144 Cb -0.93 -2.00 0.04 0.00 -1.71 0.00 0.00 66.02 61.42 1x67 s SER 144 CO 0.60 -0.20 0.14 -0.44 1.20 0.00 0.00 173.24 174.53 1x67 s SER 145 N -3.82 0.47 0.00 5.45 0.01 -1.26 -5.24 113.70 109.30 1x67 s SER 145 Ca 0.39 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.93 1x67 s SER 145 Cb -0.10 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1x67 s SER 145 CO 0.33 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.38