#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x67 s SER 2 N 0.00 2.48 -0.27 1.61 0.15 -1.26 -5.00 113.70 111.41 1x67 s SER 2 Ca 0.00 -0.44 0.15 0.00 0.70 0.00 0.00 55.95 56.36 1x67 s SER 2 Cb 0.00 -1.14 0.40 0.00 -1.71 0.00 0.00 66.02 63.57 1x67 s SER 2 CO 0.00 0.10 1.36 -1.20 1.20 0.00 0.00 173.24 174.70 1x67 n SER 3 N 3.68 -0.48 0.00 5.45 7.64 -1.26 -5.13 113.62 123.52 1x67 n SER 3 Ca -0.21 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 57.54 1x67 n SER 3 Cb 0.52 0.29 0.00 0.00 -1.01 0.00 0.00 64.21 64.01 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 -1.05 3.62 2.97 0.23 0.00 -1.26 -5.11 105.19 104.60 1x67 n GLY 4 Ca -0.11 -1.35 -0.09 0.00 0.00 0.00 0.00 46.02 44.48 1x67 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x67 n SER 5 N 0.00 -7.36 -3.99 1.61 2.88 -1.26 -5.04 113.62 100.46 1x67 n SER 5 Ca 0.00 0.73 -0.12 0.00 -1.33 0.00 0.00 58.87 58.15 1x67 n SER 5 Cb 0.00 -4.11 -0.12 0.00 -0.75 0.00 0.00 64.21 59.23 1x67 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x67 s SER 6 N -1.79 0.52 0.00 -3.46 0.15 -1.26 -5.10 113.70 102.76 1x67 s SER 6 Ca 0.14 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1x67 s SER 6 Cb -0.03 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1x67 s SER 6 CO 0.65 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.55 1x67 n GLY 7 N 1.98 1.01 3.64 9.45 0.00 -1.26 -5.17 105.19 114.84 1x67 n GLY 7 Ca -0.20 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 1x67 n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1x67 s MET 8 N 0.65 0.34 0.06 1.61 0.23 -1.26 -5.18 119.30 115.74 1x67 s MET 8 Ca 0.00 0.49 -0.11 0.00 -1.03 0.00 0.00 55.69 55.04 1x67 s MET 8 Cb 0.00 0.12 0.01 0.00 -1.53 0.00 0.00 34.83 33.42 1x67 s MET 8 CO 0.00 -0.06 0.24 0.00 -2.03 0.00 0.00 175.02 173.17 1x67 s ALA 9 N 0.77 -0.45 0.80 3.16 0.00 -1.26 -4.68 121.76 120.10 1x67 s ALA 9 Ca -0.03 -0.28 -0.13 0.00 0.00 0.00 0.00 51.96 51.52 1x67 s ALA 9 Cb -0.04 0.38 0.08 0.00 0.00 0.00 0.00 23.12 23.54 1x67 s ALA 9 CO -0.12 -0.44 1.19 0.00 0.00 0.00 0.00 175.76 176.40 1x67 s ALA 10 N -3.01 1.87 0.00 0.00 0.00 -1.26 -4.88 121.76 114.49 1x67 s ALA 10 Ca -0.02 0.78 -0.05 0.00 0.00 0.00 0.00 51.96 52.67 1x67 s ALA 10 Cb 0.01 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1x67 s ALA 10 CO -0.06 -2.23 -0.10 -1.71 0.00 0.00 0.00 175.76 171.66 1x67 n ASN 11 N -3.31 1.11 -2.06 0.00 5.15 -1.26 -5.00 115.26 109.89 1x67 n ASN 11 Ca 0.13 0.16 -0.18 0.00 -0.60 0.00 0.00 54.58 54.09 1x67 n ASN 11 Cb 0.51 -0.42 -0.04 0.00 -0.53 0.00 0.00 39.78 39.30 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 -3.55 -1.54 -0.12 1.20 4.32 -1.26 -4.85 117.00 111.20 1x67 n LEU 12 Ca -0.04 0.21 -0.25 0.00 -0.02 0.00 0.00 56.01 55.91 1x67 n LEU 12 Cb 0.15 -2.64 -0.10 0.00 -1.62 0.00 0.00 43.42 39.21 1x67 n LEU 12 CO 0.06 -0.50 -1.02 -0.24 -1.22 0.00 0.00 177.39 174.48 1x67 n SER 13 N -1.59 1.91 -0.03 -1.43 2.88 -1.26 -3.53 113.62 110.58 1x67 n SER 13 Ca -0.20 0.38 -0.09 0.00 -1.33 0.00 0.00 58.87 57.63 1x67 n SER 13 Cb 0.64 -0.88 -0.02 0.00 -0.75 0.00 0.00 64.21 63.20 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 -0.22 -1.21 -1.46 3.08 -1.93 -2.09 114.38 109.55 1x67 h ARG 14 Ca -0.51 0.02 -0.69 0.00 0.07 0.00 0.00 59.98 58.87 1x67 h ARG 14 Cb 1.43 0.05 -0.30 0.00 0.08 0.00 0.00 29.97 31.23 1x67 h ARG 14 CO -0.31 -0.15 0.77 0.09 -1.07 0.00 0.00 179.97 179.31 1x67 n ASN 15 N -5.35 7.44 0.00 7.04 3.02 -1.26 -4.80 115.26 121.34 1x67 n ASN 15 Ca -0.02 -3.80 0.00 0.00 -0.03 0.00 0.00 54.58 50.74 1x67 n ASN 15 Cb 0.26 -0.95 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 -0.82 -2.93 0.37 7.41 0.00 -0.79 -0.54 105.19 107.90 1x67 n GLY 16 Ca 0.59 0.26 0.14 0.00 0.00 0.00 0.00 46.02 47.01 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 0.67 0.82 1.61 0.11 -1.87 -1.25 132.00 132.09 1x67 h PRO 17 Ca 0.00 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 1x67 h PRO 17 Cb 0.00 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 30.97 1x67 h PRO 17 CO 0.00 0.44 -0.41 0.00 -0.21 0.00 0.00 178.00 177.82 1x67 h ALA 18 N 1.62 -1.13 0.07 -0.75 0.00 -1.88 0.13 119.26 117.32 1x67 h ALA 18 Ca 0.53 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1x67 h ALA 18 Cb 0.91 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1x67 h ALA 18 CO -0.29 -1.13 -0.19 -0.07 0.00 0.00 0.00 179.25 177.57 1x67 h LEU 19 N -1.12 -0.52 -1.03 0.00 3.38 -0.33 -2.11 115.31 113.57 1x67 h LEU 19 Ca -0.11 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.04 1x67 h LEU 19 Cb 0.86 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.74 1x67 h LEU 19 CO 0.18 -0.26 0.63 -0.61 0.09 0.00 0.00 178.44 178.47 1x67 h GLN 20 N -0.34 0.98 -0.06 1.13 4.15 -1.23 -2.11 115.11 117.64 1x67 h GLN 20 Ca 0.04 -0.06 0.04 0.00 0.77 0.00 0.00 58.65 59.43 1x67 h GLN 20 Cb 0.37 -0.22 -0.04 0.00 0.21 0.00 0.00 27.48 27.80 1x67 h GLN 20 CO -0.13 0.65 -0.20 1.49 -1.93 0.00 0.00 178.83 178.71 1x67 h GLU 21 N 1.01 -0.28 0.00 1.69 4.81 -0.06 0.28 114.58 122.03 1x67 h GLU 21 Ca 0.48 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.72 1x67 h GLU 21 Cb 0.45 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1x67 h GLU 21 CO -0.25 -0.19 -0.05 0.00 -0.73 0.00 0.00 179.01 177.80 1x67 h ALA 22 N 0.65 1.44 0.00 2.92 0.00 -1.02 -1.12 119.26 122.14 1x67 h ALA 22 Ca 0.08 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1x67 h ALA 22 Cb 0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1x67 h ALA 22 CO -0.23 0.06 -0.85 -0.92 0.00 0.00 0.00 179.25 177.32 1x67 h TYR 23 N 0.00 0.00 0.01 0.00 3.20 -0.51 -3.06 116.97 116.61 1x67 h TYR 23 Ca -0.00 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.67 1x67 h TYR 23 Cb 0.13 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1x67 h TYR 23 CO 0.00 0.60 -0.95 0.28 -1.64 0.00 0.00 178.16 176.45 1x67 h VAL 24 N 0.00 1.65 -0.01 1.81 2.07 0.70 -3.17 116.25 119.30 1x67 h VAL 24 Ca -0.06 -3.16 -0.05 0.00 0.82 0.00 0.00 66.70 64.26 1x67 h VAL 24 Cb 1.51 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 34.01 1x67 h VAL 24 CO 0.07 0.90 -0.17 0.03 0.02 0.00 0.00 177.57 178.42 1x67 h ARG 25 N 0.01 0.14 -0.27 1.57 3.08 -1.45 -0.61 114.38 116.85 1x67 h ARG 25 Ca -0.02 -0.13 0.08 0.00 0.07 0.00 0.00 59.98 59.98 1x67 h ARG 25 Cb 1.66 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.74 1x67 h ARG 25 CO 0.13 0.85 0.22 0.28 -1.07 0.00 0.00 179.97 180.38 1x67 h VAL 26 N -0.53 0.70 0.00 2.04 2.07 -1.64 -0.26 116.25 118.63 1x67 h VAL 26 Ca -0.02 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 1x67 h VAL 26 Cb 0.90 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1x67 h VAL 26 CO 0.03 0.00 -1.44 1.33 0.02 0.00 0.00 177.57 177.51 1x67 n VAL 27 N -4.20 0.76 -3.40 2.57 0.24 -1.20 -4.60 118.33 108.51 1x67 n VAL 27 Ca 0.04 -0.61 -0.42 0.00 -2.04 0.00 0.00 64.34 61.30 1x67 n VAL 27 Cb 0.38 -0.43 -0.09 0.00 -1.47 0.00 0.00 33.84 32.23 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 -3.17 5.17 0.23 3.34 2.01 -0.11 -4.93 115.64 118.18 1x67 s THR 28 Ca -0.03 -0.31 0.36 0.00 0.31 0.00 0.00 61.69 62.01 1x67 s THR 28 Cb 0.10 -3.92 0.41 0.00 0.01 0.00 0.00 72.50 69.09 1x67 s THR 28 CO 0.82 -0.27 2.07 1.05 -0.69 0.00 0.00 174.62 177.61 1x67 h GLU 29 N 8.61 0.00 -0.17 4.92 4.11 -1.87 -3.15 114.58 127.03 1x67 h GLU 29 Ca -0.28 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.20 1x67 h GLU 29 Cb 1.13 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.31 1x67 h GLU 29 CO 0.74 0.00 -0.28 -0.22 0.07 0.00 0.00 179.01 179.31 1x67 h LYS 30 N 0.00 -0.32 -7.02 1.06 3.64 -1.91 -3.42 116.57 108.60 1x67 h LYS 30 Ca 0.00 0.02 -0.48 0.00 -1.27 0.00 0.00 60.65 58.92 1x67 h LYS 30 Cb 0.40 0.07 0.04 0.00 -0.41 0.00 0.00 32.23 32.34 1x67 h LYS 30 CO 0.00 -0.21 0.14 -1.12 -2.27 0.00 0.00 179.45 175.99 1x67 s SER 31 N -4.97 5.94 -0.76 4.20 0.01 -1.19 -5.01 113.70 111.92 1x67 s SER 31 Ca -0.15 0.82 -0.25 0.00 1.31 0.00 0.00 55.95 57.67 1x67 s SER 31 Cb 0.11 -1.98 0.04 0.00 0.21 0.00 0.00 66.02 64.40 1x67 s SER 31 CO 0.67 -0.81 1.24 -2.16 0.41 0.00 0.00 173.24 172.59 1x67 s PRO 32 N -4.86 3.23 -0.30 12.44 0.04 -1.26 -4.93 135.00 139.36 1x67 s PRO 32 Ca 0.51 -0.50 -0.06 0.00 0.04 0.00 0.00 61.00 60.99 1x67 s PRO 32 Cb -0.10 -4.35 0.16 0.00 0.04 0.00 0.00 34.50 30.25 1x67 s PRO 32 CO 0.45 -2.08 0.67 0.99 0.04 0.00 0.00 177.00 177.06 1x67 s THR 33 N 5.25 -0.94 -0.18 1.26 2.01 -1.26 -4.48 115.64 117.31 1x67 s THR 33 Ca 0.34 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.44 1x67 s THR 33 Cb -0.09 -1.00 -0.18 0.00 0.01 0.00 0.00 72.50 71.24 1x67 s THR 33 CO 0.10 0.00 -0.02 -0.67 -0.69 0.00 0.00 174.62 173.34 1x67 n ASP 34 N 5.41 1.40 -3.71 3.53 -0.08 -0.34 -4.43 116.55 118.34 1x67 n ASP 34 Ca -0.06 -0.04 -0.21 0.00 -1.51 0.00 0.00 54.79 52.97 1x67 n ASP 34 Cb 0.50 0.50 -0.08 0.00 2.34 0.00 0.00 41.12 44.38 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 -2.41 1.72 -0.30 -0.67 1.48 -0.92 -1.54 118.94 116.30 1x67 s TRP 35 Ca -0.15 -1.50 -0.14 0.00 -1.06 0.00 0.00 56.10 53.25 1x67 s TRP 35 Cb 0.06 -0.86 0.16 0.00 -1.16 0.00 0.00 33.47 31.67 1x67 s TRP 35 CO 0.61 -0.64 0.95 0.00 -4.06 0.00 0.00 176.95 173.81 1x67 s ALA 36 N -3.42 -2.69 -0.09 2.67 0.00 -0.93 -3.74 121.76 113.56 1x67 s ALA 36 Ca 0.34 2.03 -0.05 0.00 0.00 0.00 0.00 51.96 54.28 1x67 s ALA 36 Cb 0.03 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 1x67 s ALA 36 CO 0.22 -1.00 0.13 -1.17 0.00 0.00 0.00 175.76 173.93 1x67 s LEU 37 N 2.54 4.26 -0.12 0.00 2.96 0.63 -2.08 118.68 126.87 1x67 s LEU 37 Ca -0.02 0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1x67 s LEU 37 Cb -0.07 -2.13 0.04 0.00 0.50 0.00 0.00 46.19 44.53 1x67 s LEU 37 CO -0.17 0.38 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.85 1x67 s PHE 38 N -1.06 1.16 0.30 5.38 0.08 -0.91 -0.61 117.98 122.32 1x67 s PHE 38 Ca 0.17 -0.63 0.05 0.00 0.12 0.00 0.00 56.93 56.64 1x67 s PHE 38 Cb -0.12 -1.06 -0.06 0.00 -0.57 0.00 0.00 43.02 41.21 1x67 s PHE 38 CO 0.06 -0.49 -0.01 -0.08 -0.10 0.00 0.00 175.22 174.61 1x67 s THR 39 N 1.81 1.42 1.00 0.64 -1.32 -0.16 -2.43 115.64 116.61 1x67 s THR 39 Ca 0.03 -2.06 -0.12 0.00 -1.21 0.00 0.00 61.69 58.33 1x67 s THR 39 Cb -0.14 -2.59 0.19 0.00 -1.51 0.00 0.00 72.50 68.45 1x67 s THR 39 CO -0.07 -0.18 1.09 -0.31 -2.21 0.00 0.00 174.62 172.94 1x67 s TYR 40 N -3.15 2.05 -0.14 9.09 1.51 -1.26 -0.12 117.35 125.33 1x67 s TYR 40 Ca 0.32 1.04 -0.29 0.00 -1.01 0.00 0.00 57.07 57.14 1x67 s TYR 40 Cb 0.06 -3.24 -0.26 0.00 -0.11 0.00 0.00 41.96 38.42 1x67 s TYR 40 CO 0.13 -2.94 0.76 0.93 -1.11 0.00 0.00 175.55 173.32 1x67 h GLU 41 N -1.93 -0.00 0.00 -0.62 4.39 -1.77 -3.44 114.58 111.21 1x67 h GLU 41 Ca -0.55 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.15 1x67 h GLU 41 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1x67 h GLU 41 CO 0.56 0.98 0.00 0.41 -1.16 0.00 0.00 179.01 179.81 1x67 n GLY 42 N 1.61 0.89 0.75 -3.84 0.00 -1.26 -5.01 105.19 98.33 1x67 n GLY 42 Ca -0.10 0.18 0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 2.07 -4.28 1.61 4.05 -1.26 -5.03 115.26 112.42 1x67 n ASN 43 Ca 0.00 -3.78 -0.16 0.00 0.45 0.00 0.00 54.58 51.09 1x67 n ASN 43 Cb 0.00 -0.56 -0.10 0.00 1.23 0.00 0.00 39.78 40.35 1x67 n ASN 43 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1x67 s SER 44 N -2.95 1.08 -0.52 1.20 1.04 -1.26 -5.11 113.70 107.19 1x67 s SER 44 Ca 0.40 -1.40 -0.27 0.00 0.48 0.00 0.00 55.95 55.16 1x67 s SER 44 Cb 0.37 0.20 0.03 0.00 0.10 0.00 0.00 66.02 66.73 1x67 s SER 44 CO -0.04 -0.76 1.09 0.20 0.98 0.00 0.00 173.24 174.72 1x67 s ASN 45 N -3.30 6.51 -0.31 7.02 0.01 -1.26 -4.55 114.94 119.05 1x67 s ASN 45 Ca 0.38 0.18 -0.10 0.00 -0.71 0.00 0.00 52.86 52.61 1x67 s ASN 45 Cb 0.08 -2.52 0.21 0.00 0.41 0.00 0.00 41.25 39.43 1x67 s ASN 45 CO 0.14 -1.29 1.15 -1.81 -1.51 0.00 0.00 177.10 173.78 1x67 s ASP 46 N 2.63 -0.09 0.30 -1.22 1.01 -1.26 -4.41 116.67 113.64 1x67 s ASP 46 Ca 0.42 -0.09 -0.30 0.00 0.71 0.00 0.00 52.55 53.30 1x67 s ASP 46 Cb -0.08 0.11 -0.11 0.00 1.01 0.00 0.00 42.92 43.85 1x67 s ASP 46 CO 0.27 -0.00 1.54 -0.63 0.21 0.00 0.00 175.17 176.56 1x67 s ILE 47 N 1.27 2.16 0.04 0.77 -1.09 -1.26 -2.90 121.20 120.20 1x67 s ILE 47 Ca 0.20 0.14 -0.09 0.00 -2.23 0.00 0.00 60.65 58.68 1x67 s ILE 47 Cb 0.12 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 1x67 s ILE 47 CO -0.13 0.03 0.18 0.00 -1.23 0.00 0.00 174.94 173.79 1x67 s ARG 48 N -0.84 0.70 0.43 2.79 1.70 0.83 -4.58 118.95 119.97 1x67 s ARG 48 Ca 0.60 -0.68 -0.24 0.00 -0.47 0.00 0.00 55.73 54.94 1x67 s ARG 48 Cb -0.46 0.29 -0.11 0.00 -0.57 0.00 0.00 34.95 34.09 1x67 s ARG 48 CO 0.50 -0.20 0.93 0.28 -1.08 0.00 0.00 175.30 175.73 1x67 n VAL 49 N 0.62 2.39 0.00 4.99 0.31 -1.26 -0.99 118.33 124.39 1x67 n VAL 49 Ca -0.18 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 1x67 n VAL 49 Cb 0.59 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 1x67 n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x67 n ALA 50 N -0.60 1.92 -3.62 3.52 0.00 0.22 -4.65 120.51 117.31 1x67 n ALA 50 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.47 1x67 n ALA 50 Cb 0.39 0.32 -0.05 0.00 0.00 0.00 0.00 19.45 20.11 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 -3.30 -0.06 -0.15 0.00 0.00 -1.15 -4.97 107.32 97.70 1x67 s GLY 51 Ca 0.00 2.59 -0.13 0.00 0.00 0.00 0.00 44.72 47.18 1x67 s GLY 51 CO 0.00 1.33 0.39 -0.51 0.00 0.00 0.00 173.10 174.30 1x67 s THR 52 N -0.68 -0.00 0.06 0.90 -4.23 -1.26 -0.27 115.64 110.15 1x67 s THR 52 Ca 0.03 0.01 -0.28 0.00 -1.18 0.00 0.00 61.69 60.27 1x67 s THR 52 Cb -0.02 -0.54 0.10 0.00 1.34 0.00 0.00 72.50 73.37 1x67 s THR 52 CO -0.05 0.00 1.15 -0.83 -0.54 0.00 0.00 174.62 174.35 1x67 s GLY 53 N 0.29 -0.34 -0.34 3.99 0.00 -1.25 -5.02 107.32 104.65 1x67 s GLY 53 Ca -0.01 0.45 0.09 0.00 0.00 0.00 0.00 44.72 45.25 1x67 s GLY 53 CO -0.00 0.07 1.76 -2.21 0.00 0.00 0.00 173.10 172.72 1x67 n GLU 54 N -0.48 3.01 0.26 2.90 2.13 -1.26 -1.20 120.64 126.00 1x67 n GLU 54 Ca -0.08 -3.07 0.16 0.00 0.66 0.00 0.00 57.16 54.84 1x67 n GLU 54 Cb 0.62 -2.12 0.56 0.00 0.27 0.00 0.00 31.44 30.77 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 1.92 0.00 0.00 8.31 0.00 -1.96 -3.44 103.07 107.91 1x67 h GLY 55 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1x67 h GLY 55 CO 0.75 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.90 1x67 n GLY 56 N 0.28 0.65 0.10 4.60 0.00 -1.26 -4.34 105.19 105.22 1x67 n GLY 56 Ca 0.01 -1.72 -0.01 0.00 0.00 0.00 0.00 46.02 44.31 1x67 n GLY 56 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x67 h LEU 57 N 0.00 0.00 -1.36 0.99 3.38 -1.95 -3.08 115.31 113.30 1x67 h LEU 57 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1x67 h LEU 57 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1x67 h LEU 57 CO 0.00 0.61 -0.27 -0.33 0.09 0.00 0.00 178.44 178.54 1x67 h GLU 58 N 0.00 0.00 0.00 1.13 5.08 -1.95 -2.46 114.58 116.38 1x67 h GLU 58 Ca -0.16 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.89 1x67 h GLU 58 Cb 1.61 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.80 1x67 h GLU 58 CO 0.05 0.27 -1.90 -1.91 -1.00 0.00 0.00 179.01 174.53 1x67 n GLU 59 N -3.69 0.65 0.06 2.33 4.07 -1.25 -3.66 120.64 119.16 1x67 n GLU 59 Ca -0.01 0.20 -0.13 0.00 -0.06 0.00 0.00 57.16 57.16 1x67 n GLU 59 Cb 0.38 -1.71 -0.08 0.00 -0.06 0.00 0.00 31.44 29.97 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 -0.14 0.00 5.31 4.05 -1.43 -2.94 114.93 119.78 1x67 h MET 60 Ca -0.35 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.03 1x67 h MET 60 Cb 2.05 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 32.87 1x67 h MET 60 CO 0.06 0.14 -0.21 -0.39 0.23 0.00 0.00 176.91 176.75 1x67 h VAL 61 N -0.41 1.03 0.00 -5.77 -1.51 -1.64 -2.12 116.25 105.82 1x67 h VAL 61 Ca -0.01 -0.74 -0.01 0.00 -1.23 0.00 0.00 66.70 64.70 1x67 h VAL 61 Cb 0.34 1.41 -0.00 0.00 -2.13 0.00 0.00 31.29 30.91 1x67 h VAL 61 CO 0.02 0.20 -0.05 -0.33 -1.23 0.00 0.00 177.57 176.19 1x67 h GLU 62 N 0.00 0.00 0.05 5.19 4.39 -1.59 -1.78 114.58 120.84 1x67 h GLU 62 Ca -0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 1x67 h GLU 62 Cb 0.40 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1x67 h GLU 62 CO 0.03 0.05 -1.23 0.93 -1.16 0.00 0.00 179.01 177.63 1x67 h GLU 63 N 0.00 0.10 -6.27 2.33 4.39 -1.32 -3.46 114.58 110.35 1x67 h GLU 63 Ca -0.00 -0.17 -0.66 0.00 0.34 0.00 0.00 59.36 58.88 1x67 h GLU 63 Cb 0.10 0.06 0.03 0.00 -0.10 0.00 0.00 28.75 28.84 1x67 h GLU 63 CO 0.01 1.00 0.89 1.28 -1.16 0.00 0.00 179.01 181.03 1x67 n LEU 64 N -3.37 2.80 -4.29 1.33 4.77 -0.67 -4.95 117.00 112.63 1x67 n LEU 64 Ca -0.07 1.04 -0.35 0.00 -0.03 0.00 0.00 56.01 56.60 1x67 n LEU 64 Cb 0.99 -1.28 -0.14 0.00 -2.33 0.00 0.00 43.42 40.66 1x67 n LEU 64 CO 0.49 -0.35 -0.36 0.21 -1.33 0.00 0.00 177.39 176.04 1x67 s ASN 65 N 2.85 4.55 -0.54 -1.43 3.84 -1.26 -5.04 114.94 117.91 1x67 s ASN 65 Ca 0.91 -0.63 -0.26 0.00 0.21 0.00 0.00 52.86 53.08 1x67 s ASN 65 Cb -0.84 -1.76 -0.05 0.00 -0.55 0.00 0.00 41.25 38.05 1x67 s ASN 65 CO 0.53 -0.10 2.15 -0.94 -2.79 0.00 0.00 177.10 175.95 1x67 s SER 66 N 1.44 4.83 0.00 -4.21 1.04 -1.26 -2.69 113.70 112.84 1x67 s SER 66 Ca 0.03 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.21 1x67 s SER 66 Cb -0.16 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1x67 s SER 66 CO -0.02 -2.64 0.00 0.61 0.98 0.00 0.00 173.24 172.17 1x67 n GLY 67 N 5.86 0.34 3.05 7.32 0.00 -1.26 -4.08 105.19 116.41 1x67 n GLY 67 Ca 0.29 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.13 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 0.77 -0.08 1.61 1.02 -1.10 -2.70 119.74 119.25 1x67 s LYS 68 Ca 0.00 -0.44 -0.30 0.00 0.02 0.00 0.00 55.97 55.25 1x67 s LYS 68 Cb 0.00 -0.73 -0.02 0.00 -0.52 0.00 0.00 37.83 36.56 1x67 s LYS 68 CO 0.00 0.19 1.11 0.08 -0.92 0.00 0.00 175.35 175.82 1x67 s VAL 69 N -0.43 4.49 0.29 3.17 1.01 -1.26 -4.19 120.40 123.48 1x67 s VAL 69 Ca 0.02 1.79 0.03 0.00 0.00 0.00 0.00 61.98 63.82 1x67 s VAL 69 Cb -0.05 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1x67 s VAL 69 CO -0.00 -0.01 0.17 -0.04 0.00 0.00 0.00 175.10 175.22 1x67 s MET 70 N 2.19 1.54 -0.08 2.72 -1.94 -1.11 -4.62 119.30 118.00 1x67 s MET 70 Ca 0.52 -1.87 0.02 0.00 -1.71 0.00 0.00 55.69 52.66 1x67 s MET 70 Cb -0.22 0.03 0.01 0.00 2.01 0.00 0.00 34.83 36.67 1x67 s MET 70 CO 0.20 -0.46 -0.13 0.71 -0.01 0.00 0.00 175.02 175.32 1x67 s TYR 71 N -3.70 1.63 -0.16 -0.03 1.51 -1.02 -1.72 117.35 113.87 1x67 s TYR 71 Ca 0.37 -0.65 -0.04 0.00 -1.01 0.00 0.00 57.07 55.74 1x67 s TYR 71 Cb 0.05 -1.19 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 1x67 s TYR 71 CO 0.18 -0.33 -0.02 0.00 -1.11 0.00 0.00 175.55 174.26 1x67 s ALA 72 N 0.75 3.06 -0.31 3.71 0.00 -0.85 -2.14 121.76 125.98 1x67 s ALA 72 Ca -0.13 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1x67 s ALA 72 Cb -0.16 -1.59 0.10 0.00 0.00 0.00 0.00 23.12 21.47 1x67 s ALA 72 CO 0.03 0.23 0.07 0.12 0.00 0.00 0.00 175.76 176.21 1x67 s PHE 73 N 0.30 2.42 0.18 0.00 5.36 -0.88 -2.19 117.98 123.16 1x67 s PHE 73 Ca -0.03 -2.14 0.06 0.00 -0.96 0.00 0.00 56.93 53.87 1x67 s PHE 73 Cb -0.14 -2.10 -0.04 0.00 -0.34 0.00 0.00 43.02 40.41 1x67 s PHE 73 CO 0.03 -0.89 0.07 0.00 -1.46 0.00 0.00 175.22 172.97 1x67 s ARG 75 N -3.11 1.44 0.45 0.00 3.52 -0.59 -2.69 118.95 117.97 1x67 s ARG 75 Ca 0.30 -0.88 0.03 0.00 -0.13 0.00 0.00 55.73 55.05 1x67 s ARG 75 Cb -0.09 -2.49 -0.02 0.00 -1.56 0.00 0.00 34.95 30.78 1x67 s ARG 75 CO 0.21 -0.60 0.07 0.14 -0.81 0.00 0.00 175.30 174.31 1x67 s VAL 76 N 1.49 0.90 -0.06 7.11 -7.23 -1.22 -4.94 120.40 116.45 1x67 s VAL 76 Ca -0.05 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.13 1x67 s VAL 76 Cb -0.18 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 1x67 s VAL 76 CO -0.07 0.00 -0.07 -1.59 -0.31 0.00 0.00 175.10 173.06 1x67 s LYS 77 N -3.79 2.73 0.84 4.82 -2.85 -1.26 -0.27 119.74 119.96 1x67 s LYS 77 Ca 0.16 -0.56 -0.11 0.00 -1.00 0.00 0.00 55.97 54.46 1x67 s LYS 77 Cb 0.02 -2.58 0.10 0.00 -2.06 0.00 0.00 37.83 33.31 1x67 s LYS 77 CO 0.09 0.66 1.09 -0.51 0.10 0.00 0.00 175.35 176.79 1x67 s ASP 78 N -0.84 3.92 -0.06 0.03 1.11 -0.85 -4.88 116.67 115.09 1x67 s ASP 78 Ca 0.13 1.67 -0.25 0.00 0.18 0.00 0.00 52.55 54.28 1x67 s ASP 78 Cb -0.11 -2.35 -0.24 0.00 1.07 0.00 0.00 42.92 41.28 1x67 s ASP 78 CO 0.02 -2.38 0.99 1.55 1.18 0.00 0.00 175.17 176.53 1x67 h PRO 79 N -1.37 0.16 0.00 8.23 0.13 -1.93 -2.84 132.00 134.38 1x67 h PRO 79 Ca -0.46 -0.18 -0.14 0.00 -0.87 0.00 0.00 66.00 64.35 1x67 h PRO 79 Cb 1.26 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 1x67 h PRO 79 CO 0.53 0.95 -0.93 -0.91 -0.23 0.00 0.00 178.00 177.40 1x67 h ASN 80 N -0.55 0.00 -0.64 1.44 2.35 -1.95 -3.39 115.58 112.84 1x67 h ASN 80 Ca -0.03 -0.31 0.05 0.00 -0.55 0.00 0.00 56.30 55.46 1x67 h ASN 80 Cb 1.05 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.37 1x67 h ASN 80 CO 0.05 1.18 0.37 0.77 -1.65 0.00 0.00 177.43 178.15 1x67 h SER 81 N -1.00 0.57 -0.57 5.81 4.64 -1.98 -3.46 113.55 117.56 1x67 h SER 81 Ca -0.20 0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 60.94 1x67 h SER 81 Cb 0.97 -0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 62.89 1x67 h SER 81 CO -0.12 0.38 -0.19 0.61 -0.87 0.00 0.00 176.83 176.64 1x67 n GLY 82 N -1.28 0.96 3.59 -0.77 0.00 -1.07 -4.95 105.19 101.67 1x67 n GLY 82 Ca 0.07 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.24 3.06 -0.42 0.99 1.43 -1.26 -4.75 118.68 115.48 1x67 s LEU 83 Ca 0.00 -0.49 -0.28 0.00 -1.03 0.00 0.00 54.13 52.33 1x67 s LEU 83 Cb 0.00 -1.77 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 1x67 s LEU 83 CO 0.00 0.12 1.59 -2.16 0.23 0.00 0.00 176.35 176.13 1x67 s PRO 84 N -2.67 3.36 0.53 1.29 0.04 -1.26 -2.02 135.00 134.27 1x67 s PRO 84 Ca 0.24 1.01 0.08 0.00 0.04 0.00 0.00 61.00 62.38 1x67 s PRO 84 Cb -0.10 -4.13 0.06 0.00 0.04 0.00 0.00 34.50 30.37 1x67 s PRO 84 CO 0.15 -1.83 0.73 0.15 0.04 0.00 0.00 177.00 176.24 1x67 s LYS 85 N 5.47 2.45 -0.11 4.56 -0.14 0.62 -4.95 119.74 127.65 1x67 s LYS 85 Ca 0.67 -1.43 0.02 0.00 -1.36 0.00 0.00 55.97 53.86 1x67 s LYS 85 Cb -0.16 -2.66 0.01 0.00 -1.68 0.00 0.00 37.83 33.34 1x67 s LYS 85 CO 0.31 -0.69 -0.16 -0.06 -0.76 0.00 0.00 175.35 173.99 1x67 s PHE 86 N -2.59 2.01 -0.04 3.18 0.08 -1.26 -3.37 117.98 115.99 1x67 s PHE 86 Ca 0.60 -0.95 0.02 0.00 0.12 0.00 0.00 56.93 56.71 1x67 s PHE 86 Cb -0.07 -1.45 -0.03 0.00 -0.57 0.00 0.00 43.02 40.90 1x67 s PHE 86 CO 0.37 -0.49 -0.06 0.08 -0.10 0.00 0.00 175.22 175.03 1x67 s VAL 87 N 0.98 3.74 -0.20 -0.44 1.01 -1.09 -0.12 120.40 124.28 1x67 s VAL 87 Ca -0.07 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1x67 s VAL 87 Cb -0.15 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.69 1x67 s VAL 87 CO -0.02 0.50 -0.16 -0.22 0.00 0.00 0.00 175.10 175.20 1x67 s LEU 88 N -1.10 2.38 -0.13 3.92 1.98 -0.94 -3.57 118.68 121.22 1x67 s LEU 88 Ca 0.15 -0.82 0.01 0.00 -2.89 0.00 0.00 54.13 50.58 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 0.04 -0.06 -0.15 -0.63 -1.89 0.00 0.00 176.35 173.66 1x67 s ILE 89 N 1.28 2.84 -1.14 6.68 1.01 -0.93 -1.30 121.20 129.64 1x67 s ILE 89 Ca 0.01 -0.73 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 1x67 s ILE 89 Cb -0.15 -2.18 0.24 0.00 0.01 0.00 0.00 42.46 40.38 1x67 s ILE 89 CO -0.11 0.53 1.21 0.20 0.00 0.00 0.00 174.94 176.78 1x67 s ASN 90 N 0.42 7.23 0.03 3.58 0.01 -0.64 -2.00 114.94 123.57 1x67 s ASN 90 Ca -0.11 -3.37 -0.36 0.00 -0.71 0.00 0.00 52.86 48.31 1x67 s ASN 90 Cb -0.16 -2.28 -0.15 0.00 0.41 0.00 0.00 41.25 39.08 1x67 s ASN 90 CO 0.05 -0.45 1.59 1.87 -1.51 0.00 0.00 177.10 178.65 1x67 n TRP 91 N 3.74 2.02 -3.43 2.20 -0.00 -0.70 -3.94 117.44 117.33 1x67 n TRP 91 Ca 0.28 0.36 -0.27 0.00 -0.00 0.00 0.00 57.50 57.87 1x67 n TRP 91 Cb 0.41 -2.49 -0.10 0.00 -0.00 0.00 0.00 31.31 29.12 1x67 n TRP 91 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1x67 s THR 92 N 1.77 0.46 1.17 5.87 2.01 -1.18 -2.75 115.64 122.98 1x67 s THR 92 Ca 0.86 -2.63 -0.17 0.00 0.31 0.00 0.00 61.69 60.06 1x67 s THR 92 Cb -0.82 -1.34 0.21 0.00 0.01 0.00 0.00 72.50 70.56 1x67 s THR 92 CO 0.47 -1.19 0.41 0.61 -0.69 0.00 0.00 174.62 174.23 1x67 n GLY 93 N 2.94 -2.76 0.11 4.40 0.00 -1.25 -4.32 105.19 104.32 1x67 n GLY 93 Ca 0.27 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.08 0.68 0.25 1.61 0.28 -1.26 -4.20 120.64 114.93 1x67 n GLU 94 Ca 0.05 0.16 0.18 0.00 -0.16 0.00 0.00 57.16 57.40 1x67 n GLU 94 Cb 0.51 -1.62 0.89 0.00 1.43 0.00 0.00 31.44 32.65 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 2.67 0.00 -4.95 -1.84 0.00 -1.83 -3.41 103.07 93.71 1x67 h GLY 95 Ca -0.47 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.30 1x67 h GLY 95 CO 0.02 0.00 0.83 0.54 0.00 0.00 0.00 176.54 177.93 1x67 s VAL 96 N -4.42 4.03 1.17 4.60 0.11 -1.10 -4.83 120.40 119.96 1x67 s VAL 96 Ca -0.04 1.34 -0.15 0.00 -2.93 0.00 0.00 61.98 60.20 1x67 s VAL 96 Cb 0.13 -3.86 0.24 0.00 -1.53 0.00 0.00 36.38 31.36 1x67 s VAL 96 CO 0.46 -0.04 0.69 -0.46 -3.33 0.00 0.00 175.10 172.42 1x67 n ASN 97 N 5.81 -1.99 0.10 3.54 6.94 -1.26 -4.84 115.26 123.57 1x67 n ASN 97 Ca 0.13 -0.16 -0.02 0.00 -0.02 0.00 0.00 54.58 54.50 1x67 n ASN 97 Cb 0.45 -1.16 0.01 0.00 -2.36 0.00 0.00 39.78 36.71 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 -2.52 0.00 0.15 0.53 3.32 -1.94 -3.04 116.42 112.92 1x67 h ASP 98 Ca -0.60 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.44 1x67 h ASP 98 Cb 1.34 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.89 1x67 h ASP 98 CO 0.46 0.75 -0.05 0.58 -1.72 0.00 0.00 179.24 179.26 1x67 h VAL 99 N 0.00 0.58 0.09 -1.35 2.07 -2.00 -2.25 116.25 113.39 1x67 h VAL 99 Ca -0.01 -0.24 -0.31 0.00 0.82 0.00 0.00 66.70 66.97 1x67 h VAL 99 Cb 1.49 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 1x67 h VAL 99 CO 0.10 0.05 -1.66 -0.09 0.02 0.00 0.00 177.57 175.99 1x67 h ARG 100 N 0.00 0.19 -0.42 1.57 9.65 -1.91 -3.24 114.38 120.22 1x67 h ARG 100 Ca -0.00 -0.32 0.12 0.00 -1.10 0.00 0.00 59.98 58.68 1x67 h ARG 100 Cb 0.14 0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.82 1x67 h ARG 100 CO 0.01 1.15 0.30 0.87 2.80 0.00 0.00 179.97 185.10 1x67 h LYS 101 N -0.32 0.03 0.00 0.20 1.57 -1.38 0.14 116.57 116.80 1x67 h LYS 101 Ca -0.38 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1x67 h LYS 101 Cb 1.77 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.07 1x67 h LYS 101 CO -0.01 0.02 -0.57 0.78 -0.57 0.00 0.00 179.45 179.10 1x67 h GLY 102 N 0.03 0.00 1.10 3.86 0.00 -1.56 -3.19 103.07 103.31 1x67 h GLY 102 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.38 1x67 h GLY 102 CO -0.01 0.00 -1.28 0.00 0.00 0.00 0.00 176.54 175.25 1x67 h ALA 103 N 2.05 0.64 0.00 3.60 0.00 -0.86 -3.34 119.26 121.35 1x67 h ALA 103 Ca 0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 54.91 54.04 1x67 h ALA 103 Cb 0.98 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1x67 h ALA 103 CO 0.00 0.82 -0.68 0.00 0.00 0.00 0.00 179.25 179.39 1x67 h ALA 105 N 1.41 1.23 0.00 0.00 0.00 -1.67 0.27 119.26 120.51 1x67 h ALA 105 Ca -0.02 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1x67 h ALA 105 Cb 1.47 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1x67 h ALA 105 CO 0.07 -0.12 -0.15 0.77 0.00 0.00 0.00 179.25 179.82 1x67 h SER 106 N 0.58 0.00 0.61 0.00 0.02 -1.77 -2.35 113.55 110.64 1x67 h SER 106 Ca 0.45 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 61.16 1x67 h SER 106 Cb 0.65 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 1x67 h SER 106 CO -0.37 0.15 -1.10 0.45 -1.14 0.00 0.00 176.83 174.83 1x67 h HIS 107 N 0.00 0.43 -0.93 3.45 3.86 -0.68 -3.26 115.15 118.02 1x67 h HIS 107 Ca -0.00 -0.28 0.21 0.00 -1.16 0.00 0.00 60.37 59.13 1x67 h HIS 107 Cb 0.33 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.70 1x67 h HIS 107 CO 0.00 1.17 0.61 0.28 0.86 0.00 0.00 177.93 180.85 1x67 h VAL 108 N 0.10 0.67 -0.96 2.45 2.07 -0.63 0.99 116.25 120.93 1x67 h VAL 108 Ca -0.10 -0.15 0.08 0.00 0.82 0.00 0.00 66.70 67.35 1x67 h VAL 108 Cb 1.79 0.19 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 1x67 h VAL 108 CO 0.18 0.08 0.61 -1.28 0.02 0.00 0.00 177.57 177.18 1x67 h SER 109 N 0.44 0.96 0.18 0.57 0.87 -1.61 0.20 113.55 115.16 1x67 h SER 109 Ca 0.49 0.02 -0.25 0.00 -1.23 0.00 0.00 61.79 60.82 1x67 h SER 109 Cb 1.18 -0.18 0.03 0.00 -0.44 0.00 0.00 62.40 62.99 1x67 h SER 109 CO -0.20 0.59 -1.13 0.74 -0.53 0.00 0.00 176.83 176.30 1x67 h THR 110 N 1.08 1.37 -0.37 2.23 2.02 -1.06 -3.29 112.91 114.89 1x67 h THR 110 Ca 0.43 -2.58 0.02 0.00 0.77 0.00 0.00 66.41 65.05 1x67 h THR 110 Cb 0.24 3.10 -0.03 0.00 -1.74 0.00 0.00 68.15 69.72 1x67 h THR 110 CO -0.19 0.75 0.20 0.24 0.37 0.00 0.00 175.52 176.89 1x67 h MET 111 N -0.17 0.39 -0.80 6.66 2.07 -0.81 -1.84 114.93 120.43 1x67 h MET 111 Ca -0.20 -0.02 0.15 0.00 -2.07 0.00 0.00 59.70 57.55 1x67 h MET 111 Cb 1.85 -0.09 -0.09 0.00 -1.87 0.00 0.00 31.60 31.40 1x67 h MET 111 CO 0.19 0.26 0.37 0.00 1.07 0.00 0.00 176.91 178.80 1x67 h ALA 112 N 1.18 1.17 -0.34 6.32 0.00 -0.73 -1.08 119.26 125.77 1x67 h ALA 112 Ca 0.15 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1x67 h ALA 112 Cb 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1x67 h ALA 112 CO -0.09 -0.16 0.01 1.03 0.00 0.00 0.00 179.25 180.04 1x67 h SER 113 N 0.52 0.58 -0.13 0.00 0.87 -1.50 -3.17 113.55 110.73 1x67 h SER 113 Ca 0.44 -0.30 0.04 0.00 -1.23 0.00 0.00 61.79 60.74 1x67 h SER 113 Cb 0.65 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.41 1x67 h SER 113 CO -0.39 0.74 -0.14 0.15 -0.53 0.00 0.00 176.83 176.66 1x67 h PHE 114 N 0.41 -0.36 -0.93 2.24 3.57 -0.43 -2.76 116.94 118.67 1x67 h PHE 114 Ca 0.10 0.02 -0.67 0.00 3.53 0.00 0.00 57.97 60.95 1x67 h PHE 114 Cb 0.44 0.18 -0.11 0.00 2.79 0.00 0.00 35.95 39.25 1x67 h PHE 114 CO 0.03 -0.21 2.14 1.28 -2.23 0.00 0.00 178.31 179.32 1x67 n LEU 115 N -5.29 7.76 -4.44 0.59 4.77 -0.55 -4.98 117.00 114.86 1x67 n LEU 115 Ca -0.03 -4.60 -0.29 0.00 -0.03 0.00 0.00 56.01 51.06 1x67 n LEU 115 Cb 0.21 -1.37 0.26 0.00 -2.33 0.00 0.00 43.42 40.19 1x67 n LEU 115 CO 0.22 1.99 0.49 -0.54 -1.33 0.00 0.00 177.39 178.22 1x67 s LYS 116 N -0.72 -1.56 0.00 3.23 -0.14 -1.05 -3.85 119.74 115.65 1x67 s LYS 116 Ca 0.58 0.58 0.00 0.00 -1.36 0.00 0.00 55.97 55.77 1x67 s LYS 116 Cb 0.22 -1.50 0.00 0.00 -1.68 0.00 0.00 37.83 34.88 1x67 s LYS 116 CO -0.11 -4.08 0.00 0.41 -0.76 0.00 0.00 175.35 170.81 1x67 n GLY 117 N 0.88 3.01 3.51 -3.33 0.00 -1.26 -4.98 105.19 103.02 1x67 n GLY 117 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.16 0.75 0.17 4.61 0.00 -1.25 -4.24 120.51 119.39 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 0.25 0.00 0.00 0.00 0.00 19.45 16.95 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 15.32 0.00 -3.24 0.00 3.86 -0.90 -3.44 115.15 126.74 1x67 h HIS 119 Ca -0.20 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.80 1x67 h HIS 119 Cb 1.30 0.00 -0.30 0.00 1.06 0.00 0.00 27.41 29.47 1x67 h HIS 119 CO 1.00 0.44 -0.55 0.08 0.86 0.00 0.00 177.93 179.75 1x67 s VAL 120 N -3.43 -0.03 -0.11 2.45 1.01 -1.24 -5.06 120.40 113.99 1x67 s VAL 120 Ca 0.01 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 1x67 s VAL 120 Cb 0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 1x67 s VAL 120 CO 0.71 0.05 -0.01 -0.89 0.00 0.00 0.00 175.10 174.96 1x67 s THR 121 N 0.82 4.23 -0.04 3.92 2.01 -1.26 -2.22 115.64 123.10 1x67 s THR 121 Ca -0.06 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.69 1x67 s THR 121 Cb -0.08 -2.80 0.02 0.00 0.01 0.00 0.00 72.50 69.65 1x67 s THR 121 CO -0.04 0.57 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.79 1x67 s ILE 122 N -0.52 0.49 -0.70 1.82 1.01 -0.42 -5.00 121.20 117.88 1x67 s ILE 122 Ca 0.09 -0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.56 1x67 s ILE 122 Cb -0.12 -0.51 0.18 0.00 0.01 0.00 0.00 42.46 42.02 1x67 s ILE 122 CO 0.02 0.21 0.56 0.54 0.00 0.00 0.00 174.94 176.27 1x67 s ASN 123 N 0.82 5.79 0.40 3.58 2.20 -1.26 -1.62 114.94 124.85 1x67 s ASN 123 Ca -0.11 -2.79 0.04 0.00 -0.94 0.00 0.00 52.86 49.06 1x67 s ASN 123 Cb -0.14 -1.98 0.06 0.00 -2.00 0.00 0.00 41.25 37.19 1x67 s ASN 123 CO 0.00 -0.44 0.48 0.00 -2.94 0.00 0.00 177.10 174.20 1x67 n ALA 124 N 3.67 0.53 0.00 3.54 0.00 -1.25 -4.98 120.51 122.01 1x67 n ALA 124 Ca 0.10 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.38 1x67 n ALA 124 Cb 0.41 0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.80 0.00 -3.14 0.00 1.74 -1.26 -3.13 116.66 109.07 1x67 n ARG 125 Ca 0.09 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.99 1x67 n ARG 125 Cb 0.34 -0.21 0.01 0.00 -1.02 0.00 0.00 32.46 31.58 1x67 n ARG 125 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x67 s ALA 126 N -1.24 4.49 0.14 7.54 0.00 -1.26 -3.78 121.76 127.65 1x67 s ALA 126 Ca 0.00 -1.79 0.20 0.00 0.00 0.00 0.00 51.96 50.36 1x67 s ALA 126 Cb 0.00 -1.46 0.70 0.00 0.00 0.00 0.00 23.12 22.36 1x67 s ALA 126 CO 0.00 -0.40 1.74 0.93 0.00 0.00 0.00 175.76 178.03 1x67 h GLU 127 N 0.61 0.00 0.00 0.00 5.08 -1.96 -2.85 114.58 115.45 1x67 h GLU 127 Ca -0.38 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.92 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 0.47 0.35 -0.27 1.05 -1.00 0.00 0.00 179.01 179.60 1x67 h GLU 128 N 0.00 0.00 -0.84 2.33 4.11 -2.01 -2.93 114.58 115.24 1x67 h GLU 128 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.22 1x67 h GLU 128 Cb 0.89 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.02 1x67 h GLU 128 CO 0.05 0.27 0.26 -0.25 0.07 0.00 0.00 179.01 179.41 1x67 n ASP 129 N -3.34 4.14 -0.97 3.06 9.92 -1.08 -3.98 116.55 124.30 1x67 n ASP 129 Ca 0.01 -3.00 -0.01 0.00 -0.53 0.00 0.00 54.79 51.26 1x67 n ASP 129 Cb 0.50 -0.71 -0.02 0.00 -0.64 0.00 0.00 41.12 40.26 1x67 n ASP 129 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1x67 n VAL 130 N -0.16 0.00 -1.71 2.53 0.24 -1.11 -4.63 118.33 113.49 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 1.21 0.56 0.05 0.00 -1.47 0.00 0.00 33.84 34.19 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 2.82 0.17 7.34 8.01 -1.23 -4.84 118.70 130.97 1x67 s GLU 131 Ca 0.10 0.70 -0.22 0.00 0.01 0.00 0.00 54.97 55.56 1x67 s GLU 131 Cb 0.12 -2.00 0.08 0.00 -4.31 0.00 0.00 34.13 28.02 1x67 s GLU 131 CO -0.05 -1.12 1.60 -1.35 0.01 0.00 0.00 175.26 174.35 1x67 h PRO 132 N -0.72 -0.22 -0.53 0.39 0.11 -1.94 -0.35 132.00 128.74 1x67 h PRO 132 Ca -0.45 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1x67 h PRO 132 Cb 1.23 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1x67 h PRO 132 CO 0.60 -0.14 -0.00 1.05 -0.21 0.00 0.00 178.00 179.30 1x67 h GLU 133 N -0.22 0.93 -0.16 1.05 4.11 -1.97 0.19 114.58 118.50 1x67 h GLU 133 Ca 0.19 -0.30 0.05 0.00 0.07 0.00 0.00 59.36 59.37 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 0.95 0.16 0.00 0.07 0.00 0.00 179.01 179.63 1x67 n ILE 135 N -3.92 1.61 -0.10 0.00 5.41 -0.24 -4.31 119.36 117.81 1x67 n ILE 135 Ca 0.01 -0.50 -0.00 0.00 1.00 0.00 0.00 62.75 63.26 1x67 n ILE 135 Cb 0.28 -1.69 0.27 0.00 -0.71 0.00 0.00 39.64 37.79 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 -0.27 0.75 -0.10 0.38 2.86 -0.24 -1.15 114.93 117.16 1x67 h MET 136 Ca -0.51 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.05 1x67 h MET 136 Cb 1.82 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 33.34 1x67 h MET 136 CO -0.09 0.62 0.11 0.93 1.06 0.00 0.00 176.91 179.54 1x67 h GLU 137 N 0.74 0.00 0.01 1.72 4.39 -0.77 -1.60 114.58 119.07 1x67 h GLU 137 Ca 0.18 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.54 1x67 h GLU 137 Cb 0.15 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.75 1x67 h GLU 137 CO -0.02 0.00 -2.04 1.63 -1.16 0.00 0.00 179.01 177.42 1x67 n LYS 138 N -3.91 0.67 -0.09 2.33 4.76 -0.66 -3.80 118.16 117.46 1x67 n LYS 138 Ca -0.00 0.17 0.05 0.00 -2.87 0.00 0.00 58.31 55.66 1x67 n LYS 138 Cb 0.22 -1.67 0.38 0.00 -1.84 0.00 0.00 35.03 32.12 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 0.01 1.08 0.05 -0.18 2.07 -0.28 -2.32 116.25 116.68 1x67 h VAL 139 Ca -0.42 -0.23 -0.27 0.00 0.82 0.00 0.00 66.70 66.60 1x67 h VAL 139 Cb 2.09 0.35 0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1x67 h VAL 139 CO 0.05 0.12 -1.10 0.00 0.02 0.00 0.00 177.57 176.66 1x67 h ALA 140 N 1.67 0.12 -1.80 1.67 0.00 -1.61 -3.44 119.26 115.87 1x67 h ALA 140 Ca 0.22 -0.73 -0.60 0.00 0.00 0.00 0.00 54.91 53.80 1x67 h ALA 140 Cb 0.06 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1x67 h ALA 140 CO -0.06 0.72 1.49 0.43 0.00 0.00 0.00 179.25 181.83 1x67 n SER 141 N -3.80 3.01 -1.95 0.00 7.64 -0.87 -4.95 113.62 112.70 1x67 n SER 141 Ca -0.11 0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1x67 n SER 141 Cb 0.92 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 1x67 n SER 141 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x67 n GLY 142 N 5.94 0.11 3.56 0.23 0.00 -1.26 -4.95 105.19 108.81 1x67 n GLY 142 Ca 0.32 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 1x67 n GLY 142 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x67 s PRO 143 N -1.12 2.68 -0.12 1.61 0.04 -1.26 -4.80 135.00 132.03 1x67 s PRO 143 Ca 0.00 -0.25 -0.17 0.00 0.04 0.00 0.00 61.00 60.62 1x67 s PRO 143 Cb 0.00 -4.99 -0.15 0.00 0.04 0.00 0.00 34.50 29.41 1x67 s PRO 143 CO 0.00 -3.15 0.46 1.03 0.04 0.00 0.00 177.00 175.37 1x67 h SER 144 N 11.61 -0.01 0.00 6.66 0.87 -2.02 -3.48 113.55 127.19 1x67 h SER 144 Ca 0.05 -0.56 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 1x67 h SER 144 Cb 1.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1x67 h SER 144 CO 1.23 0.77 0.00 -1.20 -0.53 0.00 0.00 176.83 177.10 1x67 n SER 145 N -4.69 0.00 0.00 6.23 7.64 -1.26 -5.33 113.62 116.20 1x67 n SER 145 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1x67 n SER 145 Cb 0.27 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1x67 n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64