#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 -0.34 0.62 1.61 0.01 -1.26 -5.15 113.70 109.19 1x67 s SER 2 Ca 0.00 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1x67 s SER 2 Cb 0.00 1.27 0.00 0.00 0.21 0.00 0.00 66.02 67.50 1x67 s SER 2 CO 0.00 -0.06 0.00 -1.20 0.41 0.00 0.00 173.24 172.39 1x67 n SER 3 N 5.39 -4.38 -3.37 2.44 7.64 -1.26 -4.87 113.62 115.22 1x67 n SER 3 Ca -0.04 0.15 -0.05 0.00 1.01 0.00 0.00 58.87 59.95 1x67 n SER 3 Cb 0.55 -0.44 -0.06 0.00 -1.01 0.00 0.00 64.21 63.25 1x67 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x67 s GLY 4 N -4.28 -0.60 -0.29 0.23 0.00 -1.26 -5.13 107.32 95.99 1x67 s GLY 4 Ca 0.00 1.40 -0.11 0.00 0.00 0.00 0.00 44.72 46.01 1x67 s GLY 4 CO 0.00 2.86 0.64 -0.45 0.00 0.00 0.00 173.10 176.16 1x67 s SER 5 N 2.68 -1.05 0.23 1.64 0.15 -1.26 -5.05 113.70 111.03 1x67 s SER 5 Ca 0.11 1.53 0.00 0.00 0.70 0.00 0.00 55.95 58.29 1x67 s SER 5 Cb -0.14 2.03 0.00 0.00 -1.71 0.00 0.00 66.02 66.19 1x67 s SER 5 CO -0.17 -0.22 0.00 -1.54 1.20 0.00 0.00 173.24 172.50 1x67 n SER 6 N 5.17 -0.57 0.00 5.45 3.41 -1.26 -5.17 113.62 120.64 1x67 n SER 6 Ca -0.14 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1x67 n SER 6 Cb 0.51 0.70 0.00 0.00 -0.26 0.00 0.00 64.21 65.16 1x67 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x67 n GLY 7 N 1.05 0.04 1.57 5.00 0.00 -1.26 -4.89 105.19 106.71 1x67 n GLY 7 Ca 0.00 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 1x67 n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x67 n MET 8 N 0.00 2.13 -4.44 1.61 1.56 -1.26 -4.97 117.12 111.75 1x67 n MET 8 Ca 0.00 -3.24 -0.22 0.00 -0.27 0.00 0.00 57.70 53.97 1x67 n MET 8 Cb 0.00 -1.97 -0.10 0.00 2.15 0.00 0.00 33.22 33.30 1x67 n MET 8 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1x67 s ALA 9 N -3.34 2.51 0.41 -5.12 0.00 -1.26 -4.73 121.76 110.23 1x67 s ALA 9 Ca 0.50 -1.83 -0.25 0.00 0.00 0.00 0.00 51.96 50.38 1x67 s ALA 9 Cb 0.43 -0.15 -0.11 0.00 0.00 0.00 0.00 23.12 23.29 1x67 s ALA 9 CO 0.02 0.17 1.05 0.00 0.00 0.00 0.00 175.76 177.01 1x67 n ALA 10 N -0.56 0.34 -0.06 0.00 0.00 -1.26 -4.87 120.51 114.09 1x67 n ALA 10 Ca -0.06 0.25 -0.06 0.00 0.00 0.00 0.00 53.44 53.57 1x67 n ALA 10 Cb 0.61 -2.11 -0.02 0.00 0.00 0.00 0.00 19.45 17.93 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 0.52 1.49 -2.05 0.00 5.15 -1.26 -4.97 115.26 114.14 1x67 n ASN 11 Ca 0.09 0.39 -0.18 0.00 -0.60 0.00 0.00 54.58 54.27 1x67 n ASN 11 Cb 0.39 -0.73 -0.04 0.00 -0.53 0.00 0.00 39.78 38.87 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 -4.09 -1.53 -0.11 1.20 4.32 -1.26 -4.85 117.00 110.68 1x67 n LEU 12 Ca -0.09 0.21 -0.22 0.00 -0.02 0.00 0.00 56.01 55.90 1x67 n LEU 12 Cb 0.33 -2.63 -0.09 0.00 -1.62 0.00 0.00 43.42 39.42 1x67 n LEU 12 CO 0.13 -0.49 -0.92 -0.24 -1.22 0.00 0.00 177.39 174.65 1x67 n SER 13 N -1.58 1.91 -0.14 -1.43 2.88 -1.26 -3.48 113.62 110.51 1x67 n SER 13 Ca -0.20 0.40 -0.04 0.00 -1.33 0.00 0.00 58.87 57.70 1x67 n SER 13 Cb 0.63 -0.86 0.05 0.00 -0.75 0.00 0.00 64.21 63.28 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 -1.00 0.27 -0.96 -1.46 3.08 -1.92 -2.00 114.38 110.39 1x67 h ARG 14 Ca -0.41 -0.02 -0.66 0.00 0.07 0.00 0.00 59.98 58.96 1x67 h ARG 14 Cb 1.31 -0.06 -0.31 0.00 0.08 0.00 0.00 29.97 30.99 1x67 h ARG 14 CO -0.25 0.18 0.62 0.09 -1.07 0.00 0.00 179.97 179.54 1x67 n ASN 15 N -5.06 7.28 0.00 7.04 3.02 -1.26 -4.80 115.26 121.48 1x67 n ASN 15 Ca 0.04 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.81 1x67 n ASN 15 Cb 0.20 -0.88 0.00 0.00 -0.61 0.00 0.00 39.78 38.49 1x67 n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x67 n GLY 16 N -0.89 -2.91 0.36 7.41 0.00 -0.75 -0.32 105.19 108.09 1x67 n GLY 16 Ca 0.60 0.24 0.14 0.00 0.00 0.00 0.00 46.02 47.00 1x67 n GLY 16 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1x67 h PRO 17 N 0.00 0.68 0.66 1.61 0.11 -1.87 -0.45 132.00 132.74 1x67 h PRO 17 Ca 0.00 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 1x67 h PRO 17 Cb 0.00 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 30.96 1x67 h PRO 17 CO 0.00 0.45 -0.32 0.00 -0.21 0.00 0.00 178.00 177.92 1x67 h ALA 18 N 1.65 -0.89 0.16 -0.75 0.00 -1.88 -0.37 119.26 117.18 1x67 h ALA 18 Ca 0.58 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.30 1x67 h ALA 18 Cb 0.99 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1x67 h ALA 18 CO -0.38 -0.98 -0.18 -0.07 0.00 0.00 0.00 179.25 177.65 1x67 h LEU 19 N -0.93 -0.48 -0.77 0.00 3.38 -0.04 -2.19 115.31 114.28 1x67 h LEU 19 Ca -0.09 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.06 1x67 h LEU 19 Cb 0.69 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.52 1x67 h LEU 19 CO 0.15 -0.26 0.33 -0.61 0.09 0.00 0.00 178.44 178.14 1x67 h GLN 20 N -0.38 0.48 0.19 1.13 4.15 -1.10 -1.65 115.11 117.93 1x67 h GLN 20 Ca 0.01 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.41 1x67 h GLN 20 Cb 0.36 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1x67 h GLN 20 CO -0.06 0.32 -0.25 1.49 -1.93 0.00 0.00 178.83 178.40 1x67 h GLU 21 N 0.50 -0.48 -0.14 1.69 4.81 -0.61 0.27 114.58 120.62 1x67 h GLU 21 Ca 0.42 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.72 1x67 h GLU 21 Cb 0.60 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1x67 h GLU 21 CO -0.38 -0.32 0.17 0.00 -0.73 0.00 0.00 179.01 177.76 1x67 h ALA 22 N 0.20 1.70 0.01 2.92 0.00 -0.76 0.22 119.26 123.55 1x67 h ALA 22 Ca 0.01 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.66 1x67 h ALA 22 Cb 0.48 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1x67 h ALA 22 CO -0.09 -0.25 -1.40 -0.92 0.00 0.00 0.00 179.25 176.59 1x67 h TYR 23 N 0.00 0.03 0.00 0.00 3.20 -0.31 -3.14 116.97 116.74 1x67 h TYR 23 Ca 0.07 -0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.77 1x67 h TYR 23 Cb 0.42 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 1x67 h TYR 23 CO 0.00 1.03 -0.68 0.28 -1.64 0.00 0.00 178.16 177.15 1x67 h VAL 24 N 0.00 1.47 -0.01 1.81 2.07 0.15 -3.06 116.25 118.69 1x67 h VAL 24 Ca -0.17 -2.35 -0.05 0.00 0.82 0.00 0.00 66.70 64.95 1x67 h VAL 24 Cb 1.91 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.96 1x67 h VAL 24 CO 0.11 0.67 -0.18 0.03 0.02 0.00 0.00 177.57 178.22 1x67 h ARG 25 N 0.00 0.13 -0.18 1.57 3.08 -1.36 -0.59 114.38 117.03 1x67 h ARG 25 Ca -0.01 -0.13 0.05 0.00 0.07 0.00 0.00 59.98 59.96 1x67 h ARG 25 Cb 1.22 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 1x67 h ARG 25 CO 0.09 0.86 0.18 0.28 -1.07 0.00 0.00 179.97 180.31 1x67 h VAL 26 N -0.55 0.54 0.00 2.04 2.07 -1.60 -0.25 116.25 118.49 1x67 h VAL 26 Ca -0.02 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 1x67 h VAL 26 Cb 0.92 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1x67 h VAL 26 CO 0.03 0.00 -1.61 1.33 0.02 0.00 0.00 177.57 177.34 1x67 n VAL 27 N -3.91 0.60 -3.50 2.57 0.24 -1.16 -4.63 118.33 108.54 1x67 n VAL 27 Ca 0.01 -0.60 -0.39 0.00 -2.04 0.00 0.00 64.34 61.33 1x67 n VAL 27 Cb 0.31 -0.31 -0.10 0.00 -1.47 0.00 0.00 33.84 32.26 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 -3.23 5.25 -0.14 3.34 2.01 -0.11 -4.94 115.64 117.82 1x67 s THR 28 Ca -0.05 0.18 0.29 0.00 0.31 0.00 0.00 61.69 62.43 1x67 s THR 28 Cb 0.11 -3.65 0.37 0.00 0.01 0.00 0.00 72.50 69.34 1x67 s THR 28 CO 0.84 0.13 1.83 1.05 -0.69 0.00 0.00 174.62 177.78 1x67 h GLU 29 N 8.36 0.00 -0.03 4.92 -0.00 -1.89 -3.28 114.58 122.66 1x67 h GLU 29 Ca -0.33 0.00 0.03 0.00 -0.00 0.00 0.00 59.36 59.07 1x67 h GLU 29 Cb 1.17 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.86 1x67 h GLU 29 CO 0.61 0.00 -0.39 -0.22 -0.00 0.00 0.00 179.01 179.01 1x67 h LYS 30 N 0.00 -0.50 -7.22 1.06 1.63 -1.92 -3.42 116.57 106.19 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 0.70 0.11 0.06 0.00 -0.60 0.00 0.00 32.23 32.50 1x67 h LYS 30 CO 0.00 -0.34 0.28 -1.12 -3.45 0.00 0.00 179.45 174.82 1x67 s SER 31 N -4.83 5.88 -0.77 4.20 0.01 -1.24 -5.00 113.70 111.96 1x67 s SER 31 Ca -0.16 1.05 -0.26 0.00 1.31 0.00 0.00 55.95 57.89 1x67 s SER 31 Cb 0.09 -2.08 0.04 0.00 0.21 0.00 0.00 66.02 64.28 1x67 s SER 31 CO 0.64 -0.97 1.25 -2.16 0.41 0.00 0.00 173.24 172.41 1x67 s PRO 32 N -5.07 3.24 -0.29 12.44 0.04 -1.26 -4.94 135.00 139.15 1x67 s PRO 32 Ca 0.54 -0.48 -0.14 0.00 0.04 0.00 0.00 61.00 60.96 1x67 s PRO 32 Cb -0.11 -4.35 0.11 0.00 0.04 0.00 0.00 34.50 30.19 1x67 s PRO 32 CO 0.49 -2.09 0.71 0.99 0.04 0.00 0.00 177.00 177.14 1x67 s THR 33 N 5.30 -0.43 -0.03 1.26 2.01 -1.26 -4.38 115.64 118.11 1x67 s THR 33 Ca 0.34 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.37 1x67 s THR 33 Cb -0.08 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 1x67 s THR 33 CO 0.11 0.00 0.02 -0.67 -0.69 0.00 0.00 174.62 173.39 1x67 n ASP 34 N 4.77 4.22 -3.57 3.53 -0.08 -0.13 -4.60 116.55 120.69 1x67 n ASP 34 Ca -0.16 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 52.92 1x67 n ASP 34 Cb 0.54 0.70 -0.08 0.00 2.34 0.00 0.00 41.12 44.62 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 -2.11 1.71 -0.30 -0.67 1.48 -0.97 -2.29 118.94 115.80 1x67 s TRP 35 Ca -0.01 -1.57 -0.13 0.00 -1.06 0.00 0.00 56.10 53.32 1x67 s TRP 35 Cb 0.01 -0.78 0.17 0.00 -1.16 0.00 0.00 33.47 31.70 1x67 s TRP 35 CO 0.13 -0.75 0.95 0.00 -4.06 0.00 0.00 176.95 173.23 1x67 s ALA 36 N -3.46 -2.76 -0.14 2.67 0.00 -0.90 -3.83 121.76 113.34 1x67 s ALA 36 Ca 0.38 1.95 -0.07 0.00 0.00 0.00 0.00 51.96 54.22 1x67 s ALA 36 Cb 0.03 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 1x67 s ALA 36 CO 0.24 -1.06 0.11 -1.17 0.00 0.00 0.00 175.76 173.88 1x67 s LEU 37 N 2.59 4.20 -0.13 0.00 2.96 0.55 -1.66 118.68 127.19 1x67 s LEU 37 Ca -0.01 0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 54.24 1x67 s LEU 37 Cb -0.08 -2.03 0.03 0.00 0.50 0.00 0.00 46.19 44.61 1x67 s LEU 37 CO -0.17 0.34 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.78 1x67 s PHE 38 N -0.60 1.48 0.36 5.38 0.08 -0.74 -0.89 117.98 123.05 1x67 s PHE 38 Ca 0.12 -0.82 0.05 0.00 0.12 0.00 0.00 56.93 56.41 1x67 s PHE 38 Cb -0.12 -1.22 -0.07 0.00 -0.57 0.00 0.00 43.02 41.04 1x67 s PHE 38 CO 0.02 -0.54 0.03 -0.08 -0.10 0.00 0.00 175.22 174.56 1x67 s THR 39 N 1.71 1.53 0.92 0.64 -1.32 -0.66 -2.04 115.64 116.41 1x67 s THR 39 Ca 0.03 -2.01 -0.12 0.00 -1.21 0.00 0.00 61.69 58.39 1x67 s THR 39 Cb -0.14 -2.86 0.14 0.00 -1.51 0.00 0.00 72.50 68.13 1x67 s THR 39 CO -0.08 -0.01 1.12 -0.31 -2.21 0.00 0.00 174.62 173.13 1x67 s TYR 40 N -3.06 2.45 -0.12 9.09 1.51 -1.26 -0.40 117.35 125.56 1x67 s TYR 40 Ca 0.36 0.94 -0.22 0.00 -1.01 0.00 0.00 57.07 57.14 1x67 s TYR 40 Cb 0.09 -3.31 -0.26 0.00 -0.11 0.00 0.00 41.96 38.36 1x67 s TYR 40 CO 0.16 -2.41 0.62 1.49 -1.11 0.00 0.00 175.55 174.30 1x67 h GLU 41 N -1.54 0.14 0.00 -0.62 4.81 -1.64 -3.45 114.58 112.28 1x67 h GLU 41 Ca -0.51 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.49 1x67 h GLU 41 Cb 1.32 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.79 1x67 h GLU 41 CO 0.60 1.11 0.00 0.41 -0.73 0.00 0.00 179.01 180.40 1x67 n GLY 42 N 1.63 2.90 2.09 1.92 0.00 -1.26 -5.01 105.19 107.47 1x67 n GLY 42 Ca -0.20 0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 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 6.98 -4.07 1.61 3.02 -1.26 -4.90 115.26 116.63 1x67 n ASN 43 Ca 0.00 -3.40 -0.10 0.00 -0.03 0.00 0.00 54.58 51.05 1x67 n ASN 43 Cb 0.00 -1.02 -0.07 0.00 -0.61 0.00 0.00 39.78 38.08 1x67 n ASN 43 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1x67 s SER 44 N -0.76 0.01 -0.52 6.41 1.04 -1.26 -5.12 113.70 113.51 1x67 s SER 44 Ca 0.47 -1.12 -0.28 0.00 0.48 0.00 0.00 55.95 55.50 1x67 s SER 44 Cb 0.37 0.51 0.03 0.00 0.10 0.00 0.00 66.02 67.02 1x67 s SER 44 CO -0.01 -1.02 1.12 0.20 0.98 0.00 0.00 173.24 174.51 1x67 s ASN 45 N -3.08 6.53 -0.30 7.02 -0.87 -1.26 -4.61 114.94 118.37 1x67 s ASN 45 Ca 0.29 0.23 -0.13 0.00 -1.57 0.00 0.00 52.86 51.68 1x67 s ASN 45 Cb 0.02 -2.53 0.18 0.00 -0.02 0.00 0.00 41.25 38.91 1x67 s ASN 45 CO 0.10 -1.31 1.10 -1.81 -2.57 0.00 0.00 177.10 172.62 1x67 s ASP 46 N 2.64 -0.25 0.22 -1.22 1.01 -1.26 -4.36 116.67 113.45 1x67 s ASP 46 Ca 0.43 0.02 -0.29 0.00 0.71 0.00 0.00 52.55 53.43 1x67 s ASP 46 Cb -0.08 1.10 -0.09 0.00 1.01 0.00 0.00 42.92 44.86 1x67 s ASP 46 CO 0.28 -0.04 0.90 -0.63 0.21 0.00 0.00 175.17 175.88 1x67 s ILE 47 N 2.91 4.15 0.13 0.77 -1.09 -1.26 -1.92 121.20 124.88 1x67 s ILE 47 Ca 0.29 1.98 0.00 0.00 -2.23 0.00 0.00 60.65 60.69 1x67 s ILE 47 Cb -0.00 -4.27 -0.00 0.00 -1.58 0.00 0.00 42.46 36.61 1x67 s ILE 47 CO -0.22 0.49 0.16 -2.11 -1.23 0.00 0.00 174.94 172.03 1x67 n ARG 48 N 1.47 0.24 -2.97 2.79 1.85 0.46 -4.37 116.66 116.14 1x67 n ARG 48 Ca -0.03 -1.09 -0.38 0.00 -1.00 0.00 0.00 57.85 55.36 1x67 n ARG 48 Cb 0.48 1.01 -0.06 0.00 -1.05 0.00 0.00 32.46 32.83 1x67 n ARG 48 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1x67 s VAL 49 N -2.56 4.38 0.00 8.89 1.01 -1.26 -1.65 120.40 129.22 1x67 s VAL 49 Ca 0.12 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.71 1x67 s VAL 49 Cb -0.00 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1x67 s VAL 49 CO 0.08 0.34 0.00 0.00 0.00 0.00 0.00 175.10 175.52 1x67 n ALA 50 N 1.09 1.96 -3.62 5.51 0.00 -0.07 -4.71 120.51 120.67 1x67 n ALA 50 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 1x67 n ALA 50 Cb 0.50 0.36 -0.06 0.00 0.00 0.00 0.00 19.45 20.24 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 -3.47 -0.12 -0.15 0.00 0.00 -1.16 -4.98 107.32 97.44 1x67 s GLY 51 Ca 0.00 2.54 -0.13 0.00 0.00 0.00 0.00 44.72 47.13 1x67 s GLY 51 CO 0.00 1.50 0.40 -0.51 0.00 0.00 0.00 173.10 174.49 1x67 s THR 52 N -0.37 -0.00 -0.00 0.90 -4.23 -1.26 -0.33 115.64 110.34 1x67 s THR 52 Ca 0.02 0.01 -0.29 0.00 -1.18 0.00 0.00 61.69 60.26 1x67 s THR 52 Cb -0.03 -0.57 0.10 0.00 1.34 0.00 0.00 72.50 73.34 1x67 s THR 52 CO -0.04 0.00 1.27 -0.83 -0.54 0.00 0.00 174.62 174.48 1x67 s GLY 53 N 0.35 -0.21 -0.33 3.99 0.00 -1.25 -5.02 107.32 104.85 1x67 s GLY 53 Ca -0.01 0.24 0.09 0.00 0.00 0.00 0.00 44.72 45.04 1x67 s GLY 53 CO -0.01 3.46 1.75 -2.21 0.00 0.00 0.00 173.10 176.09 1x67 n GLU 54 N -0.74 3.05 0.28 2.90 2.13 -1.26 -0.96 120.64 126.04 1x67 n GLU 54 Ca -0.01 -3.07 0.18 0.00 0.66 0.00 0.00 57.16 54.92 1x67 n GLU 54 Cb 0.60 -2.12 0.77 0.00 0.27 0.00 0.00 31.44 30.97 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 1.98 0.00 0.00 8.31 0.00 -1.96 -3.44 103.07 107.96 1x67 h GLY 55 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1x67 h GLY 55 CO 0.72 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.87 1x67 n GLY 56 N -0.21 0.78 0.09 4.60 0.00 -1.26 -4.12 105.19 105.07 1x67 n GLY 56 Ca -0.00 -1.51 -0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 0.83 0.12 0.99 4.77 -1.26 -3.09 117.00 119.36 1x67 n LEU 57 Ca 0.00 0.37 -0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1x67 n LEU 57 Cb 0.00 0.08 0.28 0.00 -2.33 0.00 0.00 43.42 41.46 1x67 n LEU 57 CO 0.00 0.16 0.70 -0.33 -1.33 0.00 0.00 177.39 176.59 1x67 h GLU 58 N 0.00 0.17 0.16 3.23 5.08 -1.96 -2.57 114.58 118.68 1x67 h GLU 58 Ca -0.17 -0.07 -0.34 0.00 -1.00 0.00 0.00 59.36 57.78 1x67 h GLU 58 Cb 1.60 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.84 1x67 h GLU 58 CO 0.05 0.51 -1.73 1.49 -1.00 0.00 0.00 179.01 178.33 1x67 h GLU 59 N 0.15 0.33 -0.14 2.33 4.57 -1.72 -3.18 114.58 116.92 1x67 h GLU 59 Ca 0.02 -0.56 0.03 0.00 -1.18 0.00 0.00 59.36 57.67 1x67 h GLU 59 Cb 0.71 0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 29.47 1x67 h GLU 59 CO 0.05 1.22 -0.06 1.98 -1.18 0.00 0.00 179.01 181.02 1x67 h MET 60 N 0.09 -0.05 -0.01 1.92 4.05 -1.48 -1.70 114.93 117.75 1x67 h MET 60 Ca -0.33 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.03 1x67 h MET 60 Cb 2.07 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.87 1x67 h MET 60 CO 0.16 -0.03 -0.31 -0.39 0.23 0.00 0.00 176.91 176.57 1x67 h VAL 61 N -0.05 1.23 0.00 -5.77 -1.51 -1.62 -2.29 116.25 106.24 1x67 h VAL 61 Ca 0.08 -1.08 -0.02 0.00 -1.23 0.00 0.00 66.70 64.45 1x67 h VAL 61 Cb 0.17 1.57 -0.00 0.00 -2.13 0.00 0.00 31.29 30.89 1x67 h VAL 61 CO -0.18 0.31 -0.11 -0.33 -1.23 0.00 0.00 177.57 176.03 1x67 h GLU 62 N 0.01 0.00 0.06 5.19 4.39 -1.30 -2.31 114.58 120.63 1x67 h GLU 62 Ca -0.00 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.43 1x67 h GLU 62 Cb 0.56 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 1x67 h GLU 62 CO 0.04 0.11 -1.37 0.93 -1.16 0.00 0.00 179.01 177.56 1x67 h GLU 63 N 0.00 0.12 -6.26 2.33 4.39 -0.97 -3.46 114.58 110.73 1x67 h GLU 63 Ca -0.00 -0.20 -0.66 0.00 0.34 0.00 0.00 59.36 58.84 1x67 h GLU 63 Cb 0.27 0.08 0.03 0.00 -0.10 0.00 0.00 28.75 29.02 1x67 h GLU 63 CO 0.01 0.96 0.91 1.28 -1.16 0.00 0.00 179.01 181.02 1x67 n LEU 64 N -3.34 2.83 -4.33 1.33 4.77 -0.87 -4.94 117.00 112.45 1x67 n LEU 64 Ca -0.11 1.04 -0.37 0.00 -0.03 0.00 0.00 56.01 56.55 1x67 n LEU 64 Cb 1.01 -1.28 -0.13 0.00 -2.33 0.00 0.00 43.42 40.69 1x67 n LEU 64 CO 0.48 -0.33 -0.29 0.21 -1.33 0.00 0.00 177.39 176.13 1x67 s ASN 65 N 3.02 5.02 -0.49 -1.43 2.47 -1.26 -5.03 114.94 117.24 1x67 s ASN 65 Ca 0.92 -0.69 -0.27 0.00 0.42 0.00 0.00 52.86 53.24 1x67 s ASN 65 Cb -0.85 -1.86 -0.04 0.00 -1.45 0.00 0.00 41.25 37.06 1x67 s ASN 65 CO 0.54 -0.17 2.09 -0.94 -3.72 0.00 0.00 177.10 174.90 1x67 s SER 66 N 1.49 5.05 0.00 -4.21 1.04 -1.26 -2.77 113.70 113.04 1x67 s SER 66 Ca 0.03 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.35 1x67 s SER 66 Cb -0.17 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1x67 s SER 66 CO 0.02 -2.44 0.00 0.61 0.98 0.00 0.00 173.24 172.41 1x67 n GLY 67 N 5.78 0.41 3.22 7.32 0.00 -1.26 -4.34 105.19 116.32 1x67 n GLY 67 Ca 0.28 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.15 1x67 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x67 s LYS 68 N 0.00 0.98 -0.14 1.61 1.02 -1.12 -2.09 119.74 120.01 1x67 s LYS 68 Ca 0.00 -1.31 -0.20 0.00 0.02 0.00 0.00 55.97 54.49 1x67 s LYS 68 Cb 0.00 -0.67 -0.04 0.00 -0.52 0.00 0.00 37.83 36.61 1x67 s LYS 68 CO 0.00 0.10 0.55 0.08 -0.92 0.00 0.00 175.35 175.16 1x67 s VAL 69 N -2.74 5.12 0.25 3.17 1.01 -1.26 -3.81 120.40 122.13 1x67 s VAL 69 Ca 0.11 1.08 0.01 0.00 0.00 0.00 0.00 61.98 63.18 1x67 s VAL 69 Cb -0.01 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1x67 s VAL 69 CO 0.01 0.25 0.19 -0.04 0.00 0.00 0.00 175.10 175.52 1x67 s MET 70 N 1.05 1.40 -0.10 2.72 -1.94 -1.17 -4.58 119.30 116.68 1x67 s MET 70 Ca 0.28 -1.75 0.01 0.00 -1.71 0.00 0.00 55.69 52.53 1x67 s MET 70 Cb -0.16 0.30 0.02 0.00 2.01 0.00 0.00 34.83 37.00 1x67 s MET 70 CO 0.12 -0.49 -0.13 0.71 -0.01 0.00 0.00 175.02 175.21 1x67 s TYR 71 N -3.91 1.80 -0.21 -0.03 1.51 -0.87 -2.13 117.35 113.52 1x67 s TYR 71 Ca 0.39 -0.82 -0.06 0.00 -1.01 0.00 0.00 57.07 55.57 1x67 s TYR 71 Cb 0.05 -1.32 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 1x67 s TYR 71 CO 0.17 -0.44 0.02 0.00 -1.11 0.00 0.00 175.55 174.19 1x67 s ALA 72 N 1.03 3.10 -0.31 3.71 0.00 -0.92 -1.79 121.76 126.58 1x67 s ALA 72 Ca -0.06 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 50.95 1x67 s ALA 72 Cb -0.15 -1.84 0.09 0.00 0.00 0.00 0.00 23.12 21.21 1x67 s ALA 72 CO -0.02 -0.17 -0.01 0.12 0.00 0.00 0.00 175.76 175.69 1x67 s PHE 73 N 1.03 3.55 0.42 0.00 5.36 -0.66 -1.59 117.98 126.09 1x67 s PHE 73 Ca 0.02 -2.73 0.08 0.00 -0.96 0.00 0.00 56.93 53.34 1x67 s PHE 73 Cb -0.14 -2.54 -0.02 0.00 -0.34 0.00 0.00 43.02 39.98 1x67 s PHE 73 CO 0.02 -0.92 0.37 0.00 -1.46 0.00 0.00 175.22 173.23 1x67 s ARG 75 N -4.13 0.20 0.02 0.00 3.52 -0.97 -2.08 118.95 115.53 1x67 s ARG 75 Ca 0.47 0.43 0.02 0.00 -0.13 0.00 0.00 55.73 56.51 1x67 s ARG 75 Cb -0.03 -0.73 -0.02 0.00 -1.56 0.00 0.00 34.95 32.62 1x67 s ARG 75 CO 0.27 -0.54 -0.06 0.14 -0.81 0.00 0.00 175.30 174.31 1x67 s VAL 76 N 2.39 0.39 0.29 7.11 -7.23 -0.41 -4.90 120.40 118.04 1x67 s VAL 76 Ca 0.06 -0.77 -0.29 0.00 -1.81 0.00 0.00 61.98 59.17 1x67 s VAL 76 Cb -0.15 -0.44 -0.10 0.00 0.56 0.00 0.00 36.38 36.26 1x67 s VAL 76 CO -0.12 -0.26 1.14 -1.59 -0.31 0.00 0.00 175.10 173.97 1x67 s LYS 77 N -1.10 4.58 0.85 4.82 -2.85 -1.26 -0.11 119.74 124.66 1x67 s LYS 77 Ca -0.08 1.89 -0.11 0.00 -1.00 0.00 0.00 55.97 56.67 1x67 s LYS 77 Cb -0.07 -3.17 0.10 0.00 -2.06 0.00 0.00 37.83 32.63 1x67 s LYS 77 CO -0.00 0.12 1.09 -0.51 0.10 0.00 0.00 175.35 176.16 1x67 s ASP 78 N -0.75 3.80 -0.04 0.03 1.11 -0.63 -4.84 116.67 115.34 1x67 s ASP 78 Ca 0.46 1.70 -0.25 0.00 0.18 0.00 0.00 52.55 54.64 1x67 s ASP 78 Cb -0.33 -2.36 -0.22 0.00 1.07 0.00 0.00 42.92 41.08 1x67 s ASP 78 CO 0.43 -2.46 1.10 1.55 1.18 0.00 0.00 175.17 176.96 1x67 h PRO 79 N -1.43 0.14 0.00 8.23 0.13 -1.92 -2.81 132.00 134.34 1x67 h PRO 79 Ca -0.47 -0.13 -0.23 0.00 -0.87 0.00 0.00 66.00 64.30 1x67 h PRO 79 Cb 1.26 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 1x67 h PRO 79 CO 0.52 0.81 -1.31 0.27 -0.23 0.00 0.00 178.00 178.06 1x67 n ASN 80 N -4.60 1.86 -0.32 1.44 0.23 -1.26 -4.31 115.26 108.30 1x67 n ASN 80 Ca -0.09 0.43 0.04 0.00 -0.53 0.00 0.00 54.58 54.43 1x67 n ASN 80 Cb 0.43 -0.95 0.18 0.00 -2.08 0.00 0.00 39.78 37.36 1x67 n ASN 80 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1x67 h SER 81 N -1.00 0.78 -0.50 0.53 0.87 -1.96 -3.45 113.55 108.81 1x67 h SER 81 Ca -0.35 0.04 -0.22 0.00 -1.23 0.00 0.00 61.79 60.03 1x67 h SER 81 Cb 1.28 -0.12 -0.09 0.00 -0.44 0.00 0.00 62.40 63.04 1x67 h SER 81 CO -0.21 0.45 -0.20 0.61 -0.53 0.00 0.00 176.83 176.95 1x67 n GLY 82 N -1.33 1.19 3.33 5.77 0.00 -1.06 -4.95 105.19 108.15 1x67 n GLY 82 Ca 0.15 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.41 2.39 -0.21 0.99 1.43 -1.26 -4.80 118.68 114.80 1x67 s LEU 83 Ca 0.00 -0.80 -0.37 0.00 -1.03 0.00 0.00 54.13 51.93 1x67 s LEU 83 Cb 0.00 -0.90 -0.13 0.00 0.03 0.00 0.00 46.19 45.19 1x67 s LEU 83 CO 0.00 0.02 1.89 -2.65 0.23 0.00 0.00 176.35 175.84 1x67 n PRO 84 N 0.56 1.58 -4.77 1.29 -0.02 -1.26 -1.60 135.00 130.78 1x67 n PRO 84 Ca -0.15 0.56 -0.33 0.00 -2.02 0.00 0.00 63.50 61.56 1x67 n PRO 84 Cb 0.56 -2.41 -0.15 0.00 -0.02 0.00 0.00 33.50 31.47 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 4.31 3.24 0.15 -0.52 -0.14 0.84 -4.90 119.74 122.71 1x67 s LYS 85 Ca 0.98 -0.76 -0.21 0.00 -1.36 0.00 0.00 55.97 54.62 1x67 s LYS 85 Cb -0.86 -2.55 -0.08 0.00 -1.68 0.00 0.00 37.83 32.66 1x67 s LYS 85 CO 0.57 0.12 0.68 -0.06 -0.76 0.00 0.00 175.35 175.90 1x67 s PHE 86 N 0.54 3.79 -0.07 3.18 0.08 -1.26 -1.29 117.98 122.96 1x67 s PHE 86 Ca -0.10 1.42 0.01 0.00 0.12 0.00 0.00 56.93 58.38 1x67 s PHE 86 Cb -0.16 -2.62 0.02 0.00 -0.57 0.00 0.00 43.02 39.69 1x67 s PHE 86 CO 0.04 0.49 -0.07 0.08 -0.10 0.00 0.00 175.22 175.66 1x67 s VAL 87 N -1.25 0.79 -0.14 -0.44 1.01 -0.88 -0.12 120.40 119.36 1x67 s VAL 87 Ca 0.35 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 1x67 s VAL 87 Cb -0.20 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 1x67 s VAL 87 CO 0.22 0.29 0.01 -0.22 0.00 0.00 0.00 175.10 175.41 1x67 s LEU 88 N 1.10 3.58 -0.06 3.92 2.96 -1.00 -2.36 118.68 126.81 1x67 s LEU 88 Ca -0.08 0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 1x67 s LEU 88 Cb -0.14 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.69 1x67 s LEU 88 CO -0.01 0.25 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.48 1x67 s ILE 89 N -0.10 1.41 -1.13 6.68 1.01 -0.62 -0.73 121.20 127.72 1x67 s ILE 89 Ca 0.05 -0.67 -0.09 0.00 0.00 0.00 0.00 60.65 59.93 1x67 s ILE 89 Cb -0.13 -1.24 0.26 0.00 0.01 0.00 0.00 42.46 41.37 1x67 s ILE 89 CO 0.02 0.41 1.26 0.59 0.00 0.00 0.00 174.94 177.22 1x67 n ASN 90 N 3.46 5.61 -4.65 3.58 3.02 0.26 -2.16 115.26 124.37 1x67 n ASN 90 Ca -0.20 -3.09 -0.50 0.00 -0.03 0.00 0.00 54.58 50.76 1x67 n ASN 90 Cb 0.52 -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 2.96 2.02 -3.41 3.10 -0.00 -0.90 -3.77 117.44 117.43 1x67 n TRP 91 Ca 0.27 0.37 -0.27 0.00 -0.00 0.00 0.00 57.50 57.86 1x67 n TRP 91 Cb 0.39 -2.49 -0.10 0.00 -0.00 0.00 0.00 31.31 29.10 1x67 n TRP 91 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1x67 s THR 92 N 1.75 0.34 1.15 5.87 2.01 -1.11 -3.03 115.64 122.61 1x67 s THR 92 Ca 0.86 -2.50 -0.17 0.00 0.31 0.00 0.00 61.69 60.19 1x67 s THR 92 Cb -0.82 -1.26 0.19 0.00 0.01 0.00 0.00 72.50 70.62 1x67 s THR 92 CO 0.47 -1.19 0.31 0.61 -0.69 0.00 0.00 174.62 174.14 1x67 n GLY 93 N 3.06 -2.67 0.10 4.40 0.00 -1.23 -4.21 105.19 104.64 1x67 n GLY 93 Ca 0.26 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 1x67 n GLY 93 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x67 n GLU 94 N -2.78 0.67 0.31 1.61 0.28 -1.26 -4.21 120.64 115.26 1x67 n GLU 94 Ca 0.04 0.12 0.20 0.00 -0.16 0.00 0.00 57.16 57.35 1x67 n GLU 94 Cb 0.53 -1.60 1.02 0.00 1.43 0.00 0.00 31.44 32.81 1x67 n GLU 94 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1x67 h GLY 95 N 3.28 0.00 -4.53 -1.84 0.00 -1.82 -3.43 103.07 94.74 1x67 h GLY 95 Ca -0.48 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.32 1x67 h GLY 95 CO 0.03 0.00 0.72 0.54 0.00 0.00 0.00 176.54 177.83 1x67 s VAL 96 N -4.09 3.29 1.09 4.60 0.11 -0.89 -4.83 120.40 119.68 1x67 s VAL 96 Ca -0.03 0.93 -0.12 0.00 -2.93 0.00 0.00 61.98 59.83 1x67 s VAL 96 Cb 0.12 -3.60 0.24 0.00 -1.53 0.00 0.00 36.38 31.61 1x67 s VAL 96 CO 0.47 0.08 1.06 0.54 -3.33 0.00 0.00 175.10 173.92 1x67 s ASN 97 N 1.06 1.60 0.18 3.54 4.22 -1.26 -4.87 114.94 119.41 1x67 s ASN 97 Ca 0.64 1.69 0.06 0.00 -2.14 0.00 0.00 52.86 53.11 1x67 s ASN 97 Cb -0.37 -2.36 0.03 0.00 1.28 0.00 0.00 41.25 39.83 1x67 s ASN 97 CO 0.31 -3.84 1.41 0.44 -2.04 0.00 0.00 177.10 173.37 1x67 h ASP 98 N -2.38 0.12 -0.13 3.54 3.32 -1.95 -2.94 116.42 116.00 1x67 h ASP 98 Ca -0.56 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 56.43 1x67 h ASP 98 Cb 1.31 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1x67 h ASP 98 CO 0.48 0.90 0.13 0.58 -1.72 0.00 0.00 179.24 179.62 1x67 h VAL 99 N 0.05 0.55 0.09 -1.35 2.07 -1.99 -1.56 116.25 114.10 1x67 h VAL 99 Ca -0.03 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.16 1x67 h VAL 99 Cb 1.47 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 1x67 h VAL 99 CO 0.12 0.00 -1.86 -1.14 0.02 0.00 0.00 177.57 174.71 1x67 n ARG 100 N -3.91 0.70 -0.14 1.57 3.00 -1.19 -3.35 116.66 113.34 1x67 n ARG 100 Ca 0.00 0.33 0.11 0.00 -0.00 0.00 0.00 57.85 58.30 1x67 n ARG 100 Cb 0.25 -1.70 0.45 0.00 0.00 0.00 0.00 32.46 31.46 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 -0.22 0.51 0.00 -0.14 1.57 -1.25 0.23 116.57 117.27 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 1.84 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.04 1x67 h LYS 101 CO -0.00 0.33 -0.43 0.78 -0.57 0.00 0.00 179.45 179.56 1x67 h GLY 102 N 0.52 0.00 1.22 3.86 0.00 -1.46 -3.09 103.07 104.12 1x67 h GLY 102 Ca 0.32 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.50 1x67 h GLY 102 CO -0.11 0.00 -1.20 0.00 0.00 0.00 0.00 176.54 175.23 1x67 h ALA 103 N 2.04 0.65 0.00 3.60 0.00 -1.00 -3.34 119.26 121.20 1x67 h ALA 103 Ca 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 54.91 54.03 1x67 h ALA 103 Cb 0.98 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1x67 h ALA 103 CO 0.00 0.83 -0.90 0.00 0.00 0.00 0.00 179.25 179.19 1x67 h ALA 105 N 1.41 1.47 0.00 0.00 0.00 -1.65 0.26 119.26 120.75 1x67 h ALA 105 Ca -0.07 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1x67 h ALA 105 Cb 1.51 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1x67 h ALA 105 CO 0.07 -0.05 -0.31 1.03 0.00 0.00 0.00 179.25 179.99 1x67 h SER 106 N 0.72 0.00 0.89 0.00 0.87 -1.76 -2.48 113.55 111.79 1x67 h SER 106 Ca 0.52 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.95 1x67 h SER 106 Cb 0.75 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 1x67 h SER 106 CO -0.37 0.31 -0.60 0.45 -0.53 0.00 0.00 176.83 176.09 1x67 h HIS 107 N 0.00 0.00 -0.96 2.24 3.86 -0.68 -3.20 115.15 116.41 1x67 h HIS 107 Ca -0.00 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.40 1x67 h HIS 107 Cb 0.60 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.98 1x67 h HIS 107 CO 0.00 0.60 0.61 0.28 0.86 0.00 0.00 177.93 180.28 1x67 h VAL 108 N 0.00 0.71 -0.28 2.45 2.07 -0.82 0.30 116.25 120.67 1x67 h VAL 108 Ca -0.01 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 1x67 h VAL 108 Cb 1.21 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1x67 h VAL 108 CO 0.08 0.11 -0.08 0.28 0.02 0.00 0.00 177.57 177.98 1x67 h SER 109 N 0.62 0.43 0.00 0.57 0.02 -1.68 0.31 113.55 113.82 1x67 h SER 109 Ca 0.53 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.36 1x67 h SER 109 Cb 1.00 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.43 1x67 h SER 109 CO -0.28 0.55 -0.15 0.74 -1.14 0.00 0.00 176.83 176.55 1x67 h THR 110 N 0.43 1.26 -0.53 -2.27 2.02 -0.75 -3.26 112.91 109.80 1x67 h THR 110 Ca 0.09 -1.99 0.05 0.00 0.77 0.00 0.00 66.41 65.32 1x67 h THR 110 Cb 0.40 2.42 -0.05 0.00 -1.74 0.00 0.00 68.15 69.19 1x67 h THR 110 CO 0.02 0.43 0.27 0.24 0.37 0.00 0.00 175.52 176.84 1x67 h MET 111 N -1.00 0.50 -0.77 6.66 2.07 -0.61 -1.93 114.93 119.85 1x67 h MET 111 Ca -0.04 -0.03 0.14 0.00 -2.07 0.00 0.00 59.70 57.70 1x67 h MET 111 Cb 0.80 -0.11 -0.09 0.00 -1.87 0.00 0.00 31.60 30.32 1x67 h MET 111 CO -0.02 0.33 0.33 0.00 1.07 0.00 0.00 176.91 178.62 1x67 h ALA 112 N 1.29 1.10 -0.34 6.32 0.00 -1.08 -0.61 119.26 125.94 1x67 h ALA 112 Ca 0.24 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1x67 h ALA 112 Cb 0.15 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1x67 h ALA 112 CO -0.16 -0.18 0.02 0.77 0.00 0.00 0.00 179.25 179.69 1x67 h SER 113 N 0.49 0.58 -0.35 0.00 0.02 -1.43 -3.11 113.55 109.74 1x67 h SER 113 Ca 0.42 -0.30 0.05 0.00 -0.84 0.00 0.00 61.79 61.12 1x67 h SER 113 Cb 0.62 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 1x67 h SER 113 CO -0.39 0.73 0.10 0.15 -1.14 0.00 0.00 176.83 176.28 1x67 h PHE 114 N 0.41 0.18 -0.89 3.45 3.57 -0.52 -2.52 116.94 120.61 1x67 h PHE 114 Ca 0.10 0.02 -0.46 0.00 3.53 0.00 0.00 57.97 61.15 1x67 h PHE 114 Cb 0.43 -0.03 -0.15 0.00 2.79 0.00 0.00 35.95 38.98 1x67 h PHE 114 CO 0.03 0.06 0.40 1.28 -2.23 0.00 0.00 178.31 177.86 1x67 n LEU 115 N -5.05 6.37 -4.31 0.59 4.77 -0.35 -4.98 117.00 114.05 1x67 n LEU 115 Ca 0.01 -3.97 -0.31 0.00 -0.03 0.00 0.00 56.01 51.72 1x67 n LEU 115 Cb 0.14 -1.27 0.20 0.00 -2.33 0.00 0.00 43.42 40.16 1x67 n LEU 115 CO 0.26 1.75 -0.24 0.29 -1.33 0.00 0.00 177.39 178.12 1x67 n LYS 116 N 1.21 -2.04 0.00 3.23 4.76 -0.95 -3.65 118.16 120.72 1x67 n LYS 116 Ca 0.49 -0.58 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 1x67 n LYS 116 Cb 0.59 -1.81 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1x67 n LYS 116 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x67 n GLY 117 N 1.80 3.14 3.51 0.72 0.00 -1.26 -4.98 105.19 108.11 1x67 n GLY 117 Ca 0.01 0.00 -0.42 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 -1.18 0.75 0.17 4.61 0.00 -1.24 -4.22 120.51 119.42 1x67 n ALA 118 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 53.44 52.99 1x67 n ALA 118 Cb 0.00 -2.75 0.28 0.00 0.00 0.00 0.00 19.45 16.98 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 15.33 0.00 -2.68 0.00 3.86 -0.89 -3.43 115.15 127.34 1x67 h HIS 119 Ca -0.20 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.76 1x67 h HIS 119 Cb 1.30 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 29.43 1x67 h HIS 119 CO 1.00 0.43 -0.57 0.08 0.86 0.00 0.00 177.93 179.73 1x67 s VAL 120 N -3.52 -0.38 -0.22 2.45 1.01 -1.23 -4.96 120.40 113.55 1x67 s VAL 120 Ca 0.00 0.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 1x67 s VAL 120 Cb 0.11 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 1x67 s VAL 120 CO 0.70 -0.02 0.28 -0.89 0.00 0.00 0.00 175.10 175.18 1x67 s THR 121 N 2.39 5.28 -0.04 3.92 2.01 -1.26 -2.39 115.64 125.55 1x67 s THR 121 Ca 0.04 0.45 0.07 0.00 0.31 0.00 0.00 61.69 62.57 1x67 s THR 121 Cb -0.14 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 1x67 s THR 121 CO -0.10 0.30 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.25 1x67 s ILE 122 N 1.14 2.02 -0.81 1.82 1.01 0.10 -4.55 121.20 121.93 1x67 s ILE 122 Ca 0.14 -1.07 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 1x67 s ILE 122 Cb -0.14 -1.69 0.20 0.00 0.01 0.00 0.00 42.46 40.84 1x67 s ILE 122 CO 0.06 0.57 0.67 0.54 0.00 0.00 0.00 174.94 176.77 1x67 s ASN 123 N -0.38 5.67 0.75 3.58 2.20 -1.26 -0.58 114.94 124.93 1x67 s ASN 123 Ca 0.03 -3.55 -0.02 0.00 -0.94 0.00 0.00 52.86 48.38 1x67 s ASN 123 Cb -0.12 -1.86 0.15 0.00 -2.00 0.00 0.00 41.25 37.42 1x67 s ASN 123 CO 0.01 -0.21 0.98 0.00 -2.94 0.00 0.00 177.10 174.94 1x67 n ALA 124 N 2.53 0.01 0.00 3.54 0.00 -1.25 -4.95 120.51 120.39 1x67 n ALA 124 Ca 0.18 -1.83 0.00 0.00 0.00 0.00 0.00 53.44 51.79 1x67 n ALA 124 Cb 0.37 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -2.85 0.00 -3.08 0.00 3.00 -1.26 -2.76 116.66 109.72 1x67 n ARG 125 Ca 0.16 0.00 -0.18 0.00 -0.01 0.00 0.00 57.85 57.82 1x67 n ARG 125 Cb 0.56 -0.31 0.01 0.00 0.00 0.00 0.00 32.46 32.72 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 4.39 0.19 7.54 0.00 -1.26 -3.51 121.76 127.87 1x67 s ALA 126 Ca 0.00 -1.58 0.21 0.00 0.00 0.00 0.00 51.96 50.59 1x67 s ALA 126 Cb 0.00 -1.69 0.84 0.00 0.00 0.00 0.00 23.12 22.27 1x67 s ALA 126 CO 0.00 -0.27 1.80 0.93 0.00 0.00 0.00 175.76 178.23 1x67 h GLU 127 N 0.64 0.00 0.00 0.00 5.08 -1.97 -2.72 114.58 115.61 1x67 h GLU 127 Ca -0.42 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.89 1x67 h GLU 127 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1x67 h GLU 127 CO 0.48 0.30 -0.25 1.05 -1.00 0.00 0.00 179.01 179.58 1x67 h GLU 128 N 0.00 0.00 -0.84 2.33 4.11 -2.01 -2.91 114.58 115.26 1x67 h GLU 128 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.22 1x67 h GLU 128 Cb 0.78 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.90 1x67 h GLU 128 CO 0.04 0.25 0.26 -0.25 0.07 0.00 0.00 179.01 179.39 1x67 n ASP 129 N -3.33 4.14 -0.97 3.06 8.00 -1.02 -3.98 116.55 122.45 1x67 n ASP 129 Ca 0.01 -3.00 -0.01 0.00 0.71 0.00 0.00 54.79 52.50 1x67 n ASP 129 Cb 0.49 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 40.86 1x67 n ASP 129 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1x67 n VAL 130 N -0.16 0.00 -1.60 2.53 0.24 -1.10 -4.64 118.33 113.60 1x67 n VAL 130 Ca 0.35 -0.30 -0.30 0.00 -2.04 0.00 0.00 64.34 62.04 1x67 n VAL 130 Cb 1.21 0.55 0.07 0.00 -1.47 0.00 0.00 33.84 34.20 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 2.58 0.17 7.34 8.01 -1.23 -4.83 118.70 130.73 1x67 s GLU 131 Ca 0.10 0.77 -0.23 0.00 0.01 0.00 0.00 54.97 55.62 1x67 s GLU 131 Cb 0.12 -1.96 0.06 0.00 -4.31 0.00 0.00 34.13 28.03 1x67 s GLU 131 CO -0.05 -1.31 1.60 -1.35 0.01 0.00 0.00 175.26 174.16 1x67 h PRO 132 N -0.86 -0.24 -0.09 0.39 0.11 -1.95 -0.37 132.00 128.99 1x67 h PRO 132 Ca -0.45 0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.56 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 0.59 -0.16 -0.43 1.05 -0.21 0.00 0.00 178.00 178.83 1x67 h GLU 133 N -0.25 0.20 0.00 1.05 4.11 -1.98 -1.37 114.58 116.34 1x67 h GLU 133 Ca 0.18 -0.10 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 1x67 h GLU 133 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1x67 h GLU 133 CO -0.55 0.60 -0.03 0.00 0.07 0.00 0.00 179.01 179.10 1x67 n ILE 135 N -3.95 1.58 0.21 0.00 5.41 -0.61 -4.19 119.36 117.80 1x67 n ILE 135 Ca -0.03 -0.39 0.12 0.00 1.00 0.00 0.00 62.75 63.45 1x67 n ILE 135 Cb 0.11 -1.79 0.71 0.00 -0.71 0.00 0.00 39.64 37.97 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 -0.54 0.00 0.00 0.38 2.86 -1.11 0.14 114.93 116.65 1x67 h MET 136 Ca -0.52 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.04 1x67 h MET 136 Cb 1.69 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.34 1x67 h MET 136 CO -0.18 0.00 -0.35 0.93 1.06 0.00 0.00 176.91 178.36 1x67 h GLU 137 N 0.00 0.00 0.00 1.72 3.07 -1.27 -2.98 114.58 115.12 1x67 h GLU 137 Ca 0.06 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.71 1x67 h GLU 137 Cb 0.25 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.12 1x67 h GLU 137 CO -0.00 0.35 -1.82 1.63 -1.40 0.00 0.00 179.01 177.78 1x67 n LYS 138 N -3.82 0.65 0.03 2.33 4.76 -0.02 -4.18 118.16 117.91 1x67 n LYS 138 Ca -0.01 0.09 0.02 0.00 -2.87 0.00 0.00 58.31 55.54 1x67 n LYS 138 Cb 0.43 -1.68 0.36 0.00 -1.84 0.00 0.00 35.03 32.30 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 1.16 -0.39 -0.18 2.07 -0.69 -2.70 116.25 115.52 1x67 h VAL 139 Ca -0.26 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.59 1x67 h VAL 139 Cb 1.72 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1x67 h VAL 139 CO 0.04 0.21 -0.03 0.00 0.02 0.00 0.00 177.57 177.81 1x67 h ALA 140 N 1.61 0.53 -1.48 1.67 0.00 -1.69 -3.40 119.26 116.50 1x67 h ALA 140 Ca 0.10 -0.28 -0.50 0.00 0.00 0.00 0.00 54.91 54.24 1x67 h ALA 140 Cb 0.22 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1x67 h ALA 140 CO 0.00 0.34 1.34 -1.12 0.00 0.00 0.00 179.25 179.81 1x67 s SER 141 N -6.25 5.30 -0.00 0.00 0.01 -1.02 -4.88 113.70 106.87 1x67 s SER 141 Ca -0.13 0.30 -0.04 0.00 1.31 0.00 0.00 55.95 57.39 1x67 s SER 141 Cb 0.10 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.78 1x67 s SER 141 CO 0.80 -2.36 0.62 1.23 0.41 0.00 0.00 173.24 173.94 1x67 h GLY 142 N 16.30 -0.16 -0.80 3.44 0.00 -1.82 -3.47 103.07 116.56 1x67 h GLY 142 Ca -0.26 0.06 -0.45 0.00 0.00 0.00 0.00 47.33 46.68 1x67 h GLY 142 CO 1.22 -0.06 0.26 2.56 0.00 0.00 0.00 176.54 180.52 1x67 s PRO 143 N -2.50 0.64 -0.64 4.80 0.04 -1.26 -4.53 135.00 131.55 1x67 s PRO 143 Ca -0.02 0.27 -0.09 0.00 0.04 0.00 0.00 61.00 61.20 1x67 s PRO 143 Cb 0.00 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.77 1x67 s PRO 143 CO 0.07 -2.53 0.65 0.43 0.04 0.00 0.00 177.00 175.66 1x67 n SER 144 N -3.99 -7.07 -4.46 6.66 7.64 -1.26 -4.98 113.62 106.16 1x67 n SER 144 Ca 0.07 -0.08 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1x67 n SER 144 Cb 0.59 -4.29 -0.12 0.00 -1.01 0.00 0.00 64.21 59.38 1x67 n SER 144 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x67 s SER 145 N -2.72 5.06 0.00 6.43 1.04 -1.26 -5.08 113.70 117.16 1x67 s SER 145 Ca 0.11 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1x67 s SER 145 Cb -0.02 -1.89 0.00 0.00 0.10 0.00 0.00 66.02 64.20 1x67 s SER 145 CO 0.80 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.64