#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 1.79 0.00 1.61 0.01 -1.26 -5.04 113.70 110.81 1x67 s SER 2 Ca 0.00 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1x67 s SER 2 Cb 0.00 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1x67 s SER 2 CO 0.00 -0.13 0.00 -0.24 0.41 0.00 0.00 173.24 173.28 1x67 n SER 3 N 0.88 0.00 0.00 2.44 2.88 -1.26 -5.13 113.62 113.43 1x67 n SER 3 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1x67 n SER 3 Cb 0.56 0.35 0.00 0.00 -0.75 0.00 0.00 64.21 64.36 1x67 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x67 n GLY 4 N -1.43 0.81 3.09 0.46 0.00 -1.26 -4.96 105.19 101.91 1x67 n GLY 4 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -7.29 -3.32 1.61 7.64 -1.26 -5.03 113.62 105.97 1x67 n SER 5 Ca 0.00 0.13 -0.07 0.00 1.01 0.00 0.00 58.87 59.94 1x67 n SER 5 Cb 0.00 -4.50 -0.07 0.00 -1.01 0.00 0.00 64.21 58.63 1x67 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x67 s SER 6 N -2.59 0.02 0.00 6.43 0.01 -1.26 -5.13 113.70 111.19 1x67 s SER 6 Ca 0.18 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.68 1x67 s SER 6 Cb -0.04 1.26 0.00 0.00 0.21 0.00 0.00 66.02 67.45 1x67 s SER 6 CO 0.79 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.75 1x67 n GLY 7 N 5.37 0.82 3.53 3.44 0.00 -1.26 -5.07 105.19 112.02 1x67 n GLY 7 Ca -0.03 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.00 3.78 0.27 1.61 0.23 -1.26 -5.08 119.30 116.85 1x67 s MET 8 Ca 0.00 -0.44 -0.20 0.00 -1.03 0.00 0.00 55.69 54.03 1x67 s MET 8 Cb 0.00 -3.19 0.02 0.00 -1.53 0.00 0.00 34.83 30.12 1x67 s MET 8 CO 0.00 0.08 0.68 0.00 -2.03 0.00 0.00 175.02 173.75 1x67 s ALA 9 N 0.87 -1.08 0.26 3.16 0.00 -1.26 -4.96 121.76 118.75 1x67 s ALA 9 Ca 0.03 -0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 1x67 s ALA 9 Cb -0.14 0.88 -0.13 0.00 0.00 0.00 0.00 23.12 23.73 1x67 s ALA 9 CO 0.02 -1.00 1.31 0.00 0.00 0.00 0.00 175.76 176.09 1x67 n ALA 10 N -0.44 0.81 -3.76 0.00 0.00 -1.26 -4.84 120.51 111.02 1x67 n ALA 10 Ca -0.04 0.40 -0.34 0.00 0.00 0.00 0.00 53.44 53.46 1x67 n ALA 10 Cb 0.60 -2.22 -0.15 0.00 0.00 0.00 0.00 19.45 17.69 1x67 n ALA 10 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1x67 s ASN 11 N 0.03 4.16 -0.26 0.00 2.47 -1.26 -4.96 114.94 115.12 1x67 s ASN 11 Ca 0.65 -0.81 0.11 0.00 0.42 0.00 0.00 52.86 53.23 1x67 s ASN 11 Cb -0.66 -1.64 0.49 0.00 -1.45 0.00 0.00 41.25 37.99 1x67 s ASN 11 CO 0.54 -0.10 1.41 0.18 -3.72 0.00 0.00 177.10 175.41 1x67 n LEU 12 N 4.67 3.83 -0.06 3.21 4.32 -1.26 -1.85 117.00 129.86 1x67 n LEU 12 Ca -0.17 -3.64 -0.21 0.00 -0.02 0.00 0.00 56.01 51.97 1x67 n LEU 12 Cb 0.48 -0.60 -0.13 0.00 -1.62 0.00 0.00 43.42 41.55 1x67 n LEU 12 CO 0.27 1.16 -0.42 0.28 -1.22 0.00 0.00 177.39 177.46 1x67 h SER 13 N 1.06 0.15 -0.05 -1.43 0.02 -1.93 -2.69 113.55 108.68 1x67 h SER 13 Ca 0.15 -0.72 0.04 0.00 -0.84 0.00 0.00 61.79 60.42 1x67 h SER 13 Cb 1.52 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.96 1x67 h SER 13 CO 0.30 1.51 -0.24 0.03 -1.14 0.00 0.00 176.83 177.29 1x67 h ARG 14 N -0.68 -0.33 -0.98 3.45 3.08 -1.95 -2.65 114.38 114.32 1x67 h ARG 14 Ca -0.30 0.02 -0.64 0.00 0.07 0.00 0.00 59.98 59.13 1x67 h ARG 14 Cb 1.48 0.08 -0.34 0.00 0.08 0.00 0.00 29.97 31.26 1x67 h ARG 14 CO -0.08 -0.22 0.25 0.09 -1.07 0.00 0.00 179.97 178.95 1x67 n ASN 15 N -5.36 6.66 0.00 7.04 3.02 -1.26 -4.83 115.26 120.52 1x67 n ASN 15 Ca -0.04 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.73 1x67 n ASN 15 Cb 0.28 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 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 -2.89 0.31 7.41 0.00 -1.00 -0.90 105.19 107.30 1x67 n GLY 16 Ca 0.55 0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.94 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 0.40 0.53 1.61 0.11 -1.86 -0.93 132.00 131.87 1x67 h PRO 17 Ca 0.00 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1x67 h PRO 17 Cb 0.00 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 1x67 h PRO 17 CO 0.00 0.26 -0.42 0.00 -0.21 0.00 0.00 178.00 177.64 1x67 h ALA 18 N 1.68 -1.15 -0.01 -0.75 0.00 -1.89 0.20 119.26 117.34 1x67 h ALA 18 Ca 0.53 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.29 1x67 h ALA 18 Cb 0.96 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 1x67 h ALA 18 CO -0.51 -1.14 -0.31 -0.07 0.00 0.00 0.00 179.25 177.22 1x67 h LEU 19 N -0.92 -0.93 -0.83 0.00 3.38 -0.49 -1.65 115.31 113.88 1x67 h LEU 19 Ca -0.07 0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.17 1x67 h LEU 19 Cb 0.76 0.38 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 1x67 h LEU 19 CO 0.01 -0.37 0.42 -0.61 0.09 0.00 0.00 178.44 177.98 1x67 h GLN 20 N -0.45 0.59 0.02 1.13 4.15 -1.13 -1.78 115.11 117.63 1x67 h GLN 20 Ca 0.06 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.48 1x67 h GLN 20 Cb 0.55 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.06 1x67 h GLN 20 CO -0.27 0.39 -0.22 1.49 -1.93 0.00 0.00 178.83 178.29 1x67 h GLU 21 N 0.60 -0.35 -0.07 1.69 4.81 0.32 0.28 114.58 121.86 1x67 h GLU 21 Ca 0.45 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.72 1x67 h GLU 21 Cb 0.63 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.09 1x67 h GLU 21 CO -0.36 -0.23 0.08 0.00 -0.73 0.00 0.00 179.01 177.77 1x67 h ALA 22 N 0.49 1.62 0.00 2.92 0.00 -0.68 0.02 119.26 123.63 1x67 h ALA 22 Ca 0.05 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1x67 h ALA 22 Cb 0.43 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1x67 h ALA 22 CO -0.19 -0.12 -1.09 -0.92 0.00 0.00 0.00 179.25 176.94 1x67 h TYR 23 N 0.00 0.00 0.00 0.00 3.20 -0.40 -3.15 116.97 116.62 1x67 h TYR 23 Ca 0.03 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.72 1x67 h TYR 23 Cb 0.20 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1x67 h TYR 23 CO 0.00 0.64 -0.86 0.28 -1.64 0.00 0.00 178.16 176.58 1x67 h VAL 24 N 0.00 1.56 -0.01 1.81 2.07 0.14 -3.10 116.25 118.71 1x67 h VAL 24 Ca -0.10 -2.78 -0.05 0.00 0.82 0.00 0.00 66.70 64.59 1x67 h VAL 24 Cb 1.58 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.88 1x67 h VAL 24 CO 0.07 0.80 -0.17 0.03 0.02 0.00 0.00 177.57 178.32 1x67 h ARG 25 N 0.04 0.14 -0.21 1.57 3.08 -1.43 -0.40 114.38 117.17 1x67 h ARG 25 Ca -0.02 -0.13 0.06 0.00 0.07 0.00 0.00 59.98 59.96 1x67 h ARG 25 Cb 1.50 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.58 1x67 h ARG 25 CO 0.12 0.84 0.18 0.28 -1.07 0.00 0.00 179.97 180.32 1x67 h VAL 26 N -0.51 0.67 0.00 2.04 2.07 -1.64 -0.43 116.25 118.45 1x67 h VAL 26 Ca -0.02 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 1x67 h VAL 26 Cb 0.88 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1x67 h VAL 26 CO 0.03 0.00 -1.48 1.33 0.02 0.00 0.00 177.57 177.47 1x67 n VAL 27 N -4.12 0.73 -3.36 2.57 0.24 -1.17 -4.67 118.33 108.55 1x67 n VAL 27 Ca 0.02 -0.61 -0.45 0.00 -2.04 0.00 0.00 64.34 61.26 1x67 n VAL 27 Cb 0.32 -0.41 -0.07 0.00 -1.47 0.00 0.00 33.84 32.22 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 -3.18 5.20 0.65 3.34 2.01 -0.16 -4.91 115.64 118.59 1x67 s THR 28 Ca -0.04 -1.26 0.41 0.00 0.31 0.00 0.00 61.69 61.11 1x67 s THR 28 Cb 0.10 -4.21 0.42 0.00 0.01 0.00 0.00 72.50 68.82 1x67 s THR 28 CO 0.83 -0.70 2.33 1.05 -0.69 0.00 0.00 174.62 177.43 1x67 h GLU 29 N 8.81 0.00 -0.29 4.92 -0.00 -1.86 -2.67 114.58 123.48 1x67 h GLU 29 Ca -0.29 0.00 0.07 0.00 -0.00 0.00 0.00 59.36 59.14 1x67 h GLU 29 Cb 1.11 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.78 1x67 h GLU 29 CO 0.95 0.00 -0.20 -0.22 -0.00 0.00 0.00 179.01 179.54 1x67 h LYS 30 N 0.00 -0.16 -7.17 1.06 3.64 -1.91 -3.42 116.57 108.61 1x67 h LYS 30 Ca 0.00 0.01 -0.49 0.00 -1.27 0.00 0.00 60.65 58.90 1x67 h LYS 30 Cb 0.04 0.04 0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1x67 h LYS 30 CO -0.00 -0.11 0.24 -1.12 -2.27 0.00 0.00 179.45 176.19 1x67 s SER 31 N -5.09 5.90 -0.77 4.20 0.01 -1.01 -5.00 113.70 111.93 1x67 s SER 31 Ca -0.14 0.98 -0.26 0.00 1.31 0.00 0.00 55.95 57.84 1x67 s SER 31 Cb 0.13 -2.05 0.04 0.00 0.21 0.00 0.00 66.02 64.35 1x67 s SER 31 CO 0.69 -0.92 1.25 -2.16 0.41 0.00 0.00 173.24 172.50 1x67 s PRO 32 N -5.01 3.24 -0.22 12.44 0.04 -1.26 -4.95 135.00 139.27 1x67 s PRO 32 Ca 0.53 -0.48 -0.26 0.00 0.04 0.00 0.00 61.00 60.82 1x67 s PRO 32 Cb -0.11 -4.35 0.08 0.00 0.04 0.00 0.00 34.50 30.16 1x67 s PRO 32 CO 0.48 -2.10 0.76 0.99 0.04 0.00 0.00 177.00 177.17 1x67 s THR 33 N 5.31 0.00 0.00 1.26 2.01 -1.26 -4.76 115.64 118.20 1x67 s THR 33 Ca 0.34 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1x67 s THR 33 Cb -0.08 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.43 1x67 s THR 33 CO 0.11 0.00 0.00 -0.67 -0.69 0.00 0.00 174.62 173.37 1x67 n ASP 34 N 2.22 1.42 -3.86 3.53 -0.08 0.79 -4.74 116.55 115.83 1x67 n ASP 34 Ca -0.15 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 52.89 1x67 n ASP 34 Cb 0.56 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.95 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 -2.49 0.39 -3.52 -0.67 4.27 -1.15 -1.92 117.44 112.36 1x67 n TRP 35 Ca 0.00 -2.33 0.00 0.00 -3.89 0.00 0.00 57.50 51.28 1x67 n TRP 35 Cb 0.34 -0.09 -0.04 0.00 -1.36 0.00 0.00 31.31 30.15 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 -2.94 -2.39 0.01 -1.67 0.00 -0.79 -3.96 121.76 110.02 1x67 s ALA 36 Ca 0.13 2.19 -0.01 0.00 0.00 0.00 0.00 51.96 54.27 1x67 s ALA 36 Cb 0.01 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 1x67 s ALA 36 CO 0.09 -0.92 0.17 -1.17 0.00 0.00 0.00 175.76 173.93 1x67 s LEU 37 N 2.60 4.25 -0.03 0.00 2.96 -0.43 -0.97 118.68 127.06 1x67 s LEU 37 Ca -0.04 0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 54.13 1x67 s LEU 37 Cb -0.09 -2.63 0.03 0.00 0.50 0.00 0.00 46.19 44.01 1x67 s LEU 37 CO -0.18 0.24 0.05 -0.36 -1.32 0.00 0.00 176.35 174.78 1x67 s PHE 38 N -1.35 0.01 0.20 5.38 0.08 -0.59 -0.32 117.98 121.39 1x67 s PHE 38 Ca 0.28 0.21 -0.03 0.00 0.12 0.00 0.00 56.93 57.51 1x67 s PHE 38 Cb -0.13 -0.29 -0.03 0.00 -0.57 0.00 0.00 43.02 42.00 1x67 s PHE 38 CO 0.20 -0.13 0.19 -0.08 -0.10 0.00 0.00 175.22 175.30 1x67 s THR 39 N 1.41 0.02 1.04 0.64 -1.32 0.23 -1.25 115.64 116.41 1x67 s THR 39 Ca -0.05 -1.86 -0.12 0.00 -1.21 0.00 0.00 61.69 58.45 1x67 s THR 39 Cb -0.13 -2.36 0.21 0.00 -1.51 0.00 0.00 72.50 68.72 1x67 s THR 39 CO -0.03 -0.08 1.07 -0.31 -2.21 0.00 0.00 174.62 173.06 1x67 s TYR 40 N -4.11 1.87 -0.15 9.09 1.51 -1.26 -0.13 117.35 124.17 1x67 s TYR 40 Ca 0.33 1.08 -0.15 0.00 -1.01 0.00 0.00 57.07 57.32 1x67 s TYR 40 Cb 0.06 -3.21 -0.12 0.00 -0.11 0.00 0.00 41.96 38.58 1x67 s TYR 40 CO 0.10 -3.17 0.18 1.49 -1.11 0.00 0.00 175.55 173.04 1x67 h GLU 41 N -2.11 0.00 0.00 -0.62 4.81 -1.71 -3.43 114.58 111.53 1x67 h GLU 41 Ca -0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1x67 h GLU 41 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1x67 h GLU 41 CO 0.55 0.50 0.00 0.41 -0.73 0.00 0.00 179.01 179.74 1x67 n GLY 42 N 1.60 1.30 2.22 1.92 0.00 -1.26 -5.02 105.19 105.94 1x67 n GLY 42 Ca -0.13 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 5.33 -3.53 1.61 5.15 -1.26 -5.02 115.26 117.54 1x67 n ASN 43 Ca 0.00 -3.75 -0.09 0.00 -0.60 0.00 0.00 54.58 50.13 1x67 n ASN 43 Cb 0.00 -0.48 -0.02 0.00 -0.53 0.00 0.00 39.78 38.75 1x67 n ASN 43 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1x67 s SER 44 N -3.25 0.08 -0.51 1.20 1.04 -1.26 -5.12 113.70 105.88 1x67 s SER 44 Ca 0.52 -1.01 -0.29 0.00 0.48 0.00 0.00 55.95 55.65 1x67 s SER 44 Cb 0.42 0.71 0.03 0.00 0.10 0.00 0.00 66.02 67.28 1x67 s SER 44 CO -0.05 -1.38 1.19 0.20 0.98 0.00 0.00 173.24 174.19 1x67 s ASN 45 N -3.05 6.53 -0.32 7.02 0.01 -1.26 -4.60 114.94 119.27 1x67 s ASN 45 Ca 0.19 0.39 -0.09 0.00 -0.71 0.00 0.00 52.86 52.64 1x67 s ASN 45 Cb -0.03 -2.55 0.21 0.00 0.41 0.00 0.00 41.25 39.28 1x67 s ASN 45 CO 0.11 -1.36 1.12 -1.81 -1.51 0.00 0.00 177.10 173.65 1x67 s ASP 46 N 2.84 -0.17 -0.04 -1.22 1.01 -1.26 -4.32 116.67 113.52 1x67 s ASP 46 Ca 0.48 -0.16 -0.30 0.00 0.71 0.00 0.00 52.55 53.28 1x67 s ASP 46 Cb -0.08 0.22 -0.05 0.00 1.01 0.00 0.00 42.92 44.02 1x67 s ASP 46 CO 0.30 -0.01 1.46 -0.63 0.21 0.00 0.00 175.17 176.50 1x67 s ILE 47 N 1.33 3.74 0.14 0.77 -1.09 -0.77 -2.32 121.20 123.00 1x67 s ILE 47 Ca 0.20 1.04 0.07 0.00 -2.23 0.00 0.00 60.65 59.73 1x67 s ILE 47 Cb 0.11 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.28 1x67 s ILE 47 CO -0.13 -0.04 -0.16 0.00 -1.23 0.00 0.00 174.94 173.38 1x67 s ARG 48 N 3.05 1.12 -0.00 2.79 1.70 0.82 -4.70 118.95 123.73 1x67 s ARG 48 Ca 0.65 -1.29 -0.30 0.00 -0.47 0.00 0.00 55.73 54.32 1x67 s ARG 48 Cb -0.31 -1.09 -0.06 0.00 -0.57 0.00 0.00 34.95 32.92 1x67 s ARG 48 CO 0.25 0.22 1.54 0.54 -1.08 0.00 0.00 175.30 176.78 1x67 s VAL 49 N -2.02 3.50 0.05 4.99 0.11 -1.26 -0.60 120.40 125.17 1x67 s VAL 49 Ca 0.11 0.82 -0.17 0.00 -2.93 0.00 0.00 61.98 59.82 1x67 s VAL 49 Cb -0.06 -3.53 -0.19 0.00 -1.53 0.00 0.00 36.38 31.08 1x67 s VAL 49 CO 0.04 -0.03 1.22 0.00 -3.33 0.00 0.00 175.10 173.01 1x67 h ALA 50 N 8.49 0.20 0.00 1.54 0.00 -0.97 -3.46 119.26 125.06 1x67 h ALA 50 Ca -0.39 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1x67 h ALA 50 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1x67 h ALA 50 CO 0.93 0.46 0.00 0.41 0.00 0.00 0.00 179.25 181.05 1x67 n GLY 51 N 0.78 1.32 2.48 0.00 0.00 -1.21 -4.99 105.19 103.57 1x67 n GLY 51 Ca -0.08 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.78 1x67 n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x67 n THR 52 N -0.54 0.00 -3.59 2.61 -2.24 -1.26 -1.32 114.28 107.94 1x67 n THR 52 Ca 0.00 -1.73 0.02 0.00 -2.27 0.00 0.00 64.05 60.06 1x67 n THR 52 Cb 0.00 0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 1x67 n THR 52 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x67 s GLY 53 N -2.86 -0.39 -0.13 3.38 0.00 -1.25 -5.00 107.32 101.06 1x67 s GLY 53 Ca 0.12 1.34 0.17 0.00 0.00 0.00 0.00 44.72 46.35 1x67 s GLY 53 CO 0.09 0.35 1.19 1.18 0.00 0.00 0.00 173.10 175.91 1x67 n GLU 54 N -0.31 1.05 0.00 2.90 4.71 -1.26 -0.15 120.64 127.58 1x67 n GLU 54 Ca -0.04 -2.83 0.11 0.00 -0.01 0.00 0.00 57.16 54.39 1x67 n GLU 54 Cb 0.61 -0.99 -0.15 0.00 -1.01 0.00 0.00 31.44 29.90 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 -0.41 -1.06 0.00 0.62 0.00 -1.26 -4.86 105.19 98.22 1x67 n GLY 55 Ca 0.14 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 1.26 -0.83 0.29 -0.02 0.00 -1.26 -4.53 105.19 100.10 1x67 n GLY 56 Ca -0.04 -2.16 0.01 0.00 0.00 0.00 0.00 46.02 43.83 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 0.56 -1.51 0.99 3.38 -1.98 -0.38 115.31 116.38 1x67 h LEU 57 Ca 0.00 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1x67 h LEU 57 Cb 0.00 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1x67 h LEU 57 CO 0.00 0.53 0.40 -0.33 0.09 0.00 0.00 178.44 179.13 1x67 h GLU 58 N 0.61 0.59 0.00 1.13 5.08 -1.96 -0.95 114.58 119.08 1x67 h GLU 58 Ca 0.15 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.30 1x67 h GLU 58 Cb 0.16 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1x67 h GLU 58 CO -0.01 0.39 -1.37 1.49 -1.00 0.00 0.00 179.01 178.51 1x67 h GLU 59 N 0.61 0.00 0.19 2.33 4.57 -1.62 -3.32 114.58 117.35 1x67 h GLU 59 Ca 0.25 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.42 1x67 h GLU 59 Cb 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1x67 h GLU 59 CO -0.07 0.33 -0.09 1.98 -1.18 0.00 0.00 179.01 179.97 1x67 h MET 60 N 0.00 -0.25 -0.46 1.92 4.05 -0.19 -3.04 114.93 116.96 1x67 h MET 60 Ca -0.16 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.33 1x67 h MET 60 Cb 1.61 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 32.44 1x67 h MET 60 CO 0.05 0.06 0.31 -0.39 0.23 0.00 0.00 176.91 177.17 1x67 h VAL 61 N -0.58 0.99 -0.24 -5.77 -1.51 -1.38 -0.58 116.25 107.18 1x67 h VAL 61 Ca -0.03 -0.15 0.07 0.00 -1.23 0.00 0.00 66.70 65.37 1x67 h VAL 61 Cb 0.43 0.53 -0.01 0.00 -2.13 0.00 0.00 31.29 30.11 1x67 h VAL 61 CO 0.04 0.08 0.25 -0.33 -1.23 0.00 0.00 177.57 176.38 1x67 h GLU 62 N 0.42 0.00 0.03 5.19 4.39 -1.62 -0.30 114.58 122.69 1x67 h GLU 62 Ca 0.20 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.60 1x67 h GLU 62 Cb 0.24 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 1x67 h GLU 62 CO -0.05 0.00 -1.67 0.93 -1.16 0.00 0.00 179.01 177.06 1x67 h GLU 63 N 0.00 0.06 -6.30 2.33 4.39 -1.14 -3.47 114.58 110.45 1x67 h GLU 63 Ca 0.11 -0.11 -0.65 0.00 0.34 0.00 0.00 59.36 59.06 1x67 h GLU 63 Cb 0.61 0.04 0.03 0.00 -0.10 0.00 0.00 28.75 29.34 1x67 h GLU 63 CO -0.00 0.70 0.84 1.28 -1.16 0.00 0.00 179.01 180.67 1x67 n LEU 64 N -3.17 2.72 -4.41 1.33 4.77 -0.13 -4.95 117.00 113.17 1x67 n LEU 64 Ca -0.18 1.06 -0.36 0.00 -0.03 0.00 0.00 56.01 56.50 1x67 n LEU 64 Cb 1.04 -1.29 -0.13 0.00 -2.33 0.00 0.00 43.42 40.71 1x67 n LEU 64 CO 0.45 -0.41 -0.32 0.21 -1.33 0.00 0.00 177.39 175.99 1x67 s ASN 65 N 2.40 4.86 -0.75 -1.43 2.47 -1.26 -5.01 114.94 116.22 1x67 s ASN 65 Ca 0.89 -0.25 -0.26 0.00 0.42 0.00 0.00 52.86 53.66 1x67 s ASN 65 Cb -0.83 -1.86 -0.00 0.00 -1.45 0.00 0.00 41.25 37.10 1x67 s ASN 65 CO 0.51 -0.01 1.68 -0.94 -3.72 0.00 0.00 177.10 174.62 1x67 s SER 66 N 1.47 5.62 0.00 -4.21 1.04 -1.26 -3.02 113.70 113.33 1x67 s SER 66 Ca 0.05 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1x67 s SER 66 Cb -0.15 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1x67 s SER 66 CO 0.01 -2.21 0.00 0.61 0.98 0.00 0.00 173.24 172.63 1x67 n GLY 67 N 6.01 0.32 3.10 7.32 0.00 -1.26 -4.62 105.19 116.07 1x67 n GLY 67 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 1.54 0.11 1.61 1.02 -1.17 -3.81 119.74 119.04 1x67 s LYS 68 Ca 0.00 -0.53 -0.31 0.00 0.02 0.00 0.00 55.97 55.15 1x67 s LYS 68 Cb 0.00 -1.37 -0.08 0.00 -0.52 0.00 0.00 37.83 35.87 1x67 s LYS 68 CO 0.00 0.22 1.36 0.08 -0.92 0.00 0.00 175.35 176.09 1x67 s VAL 69 N 0.05 3.41 0.30 3.17 1.01 -1.26 -4.22 120.40 122.86 1x67 s VAL 69 Ca -0.03 1.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.96 1x67 s VAL 69 Cb -0.10 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1x67 s VAL 69 CO 0.02 0.08 0.35 -0.04 0.00 0.00 0.00 175.10 175.51 1x67 s MET 70 N 1.08 1.69 -0.08 2.72 -1.94 -0.97 -4.53 119.30 117.26 1x67 s MET 70 Ca 0.64 -1.74 0.01 0.00 -1.71 0.00 0.00 55.69 52.88 1x67 s MET 70 Cb -0.36 0.38 0.02 0.00 2.01 0.00 0.00 34.83 36.88 1x67 s MET 70 CO 0.30 -0.66 -0.08 0.71 -0.01 0.00 0.00 175.02 175.29 1x67 s TYR 71 N -3.49 1.23 -0.21 -0.03 1.51 -0.38 -1.82 117.35 114.16 1x67 s TYR 71 Ca 0.34 -0.50 -0.06 0.00 -1.01 0.00 0.00 57.07 55.84 1x67 s TYR 71 Cb 0.02 -1.01 -0.03 0.00 -0.11 0.00 0.00 41.96 40.83 1x67 s TYR 71 CO 0.19 -0.35 0.03 0.00 -1.11 0.00 0.00 175.55 174.31 1x67 s ALA 72 N 1.23 3.11 -0.34 3.71 0.00 -0.98 -1.55 121.76 126.93 1x67 s ALA 72 Ca -0.05 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 50.96 1x67 s ALA 72 Cb -0.14 -1.87 0.10 0.00 0.00 0.00 0.00 23.12 21.21 1x67 s ALA 72 CO -0.02 -0.19 0.05 0.12 0.00 0.00 0.00 175.76 175.72 1x67 s PHE 73 N 1.07 3.76 0.37 0.00 5.36 -0.14 -1.85 117.98 126.55 1x67 s PHE 73 Ca 0.03 -2.99 0.07 0.00 -0.96 0.00 0.00 56.93 53.08 1x67 s PHE 73 Cb -0.14 -2.94 -0.02 0.00 -0.34 0.00 0.00 43.02 39.58 1x67 s PHE 73 CO 0.02 -0.95 0.36 0.00 -1.46 0.00 0.00 175.22 173.19 1x67 s ARG 75 N -4.08 0.13 0.24 0.00 3.52 -0.81 -2.02 118.95 115.93 1x67 s ARG 75 Ca 0.45 -0.04 0.05 0.00 -0.13 0.00 0.00 55.73 56.06 1x67 s ARG 75 Cb -0.06 -1.61 -0.05 0.00 -1.56 0.00 0.00 34.95 31.67 1x67 s ARG 75 CO 0.28 -0.60 -0.04 0.14 -0.81 0.00 0.00 175.30 174.28 1x67 s VAL 76 N 2.10 1.31 -0.11 7.11 -7.23 -1.02 -4.95 120.40 117.62 1x67 s VAL 76 Ca 0.02 -2.08 -0.12 0.00 -1.81 0.00 0.00 61.98 58.00 1x67 s VAL 76 Cb -0.15 -2.34 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 1x67 s VAL 76 CO -0.08 -0.36 0.27 -1.59 -0.31 0.00 0.00 175.10 173.04 1x67 s LYS 77 N -3.79 3.93 0.99 4.82 -2.85 -1.26 -0.15 119.74 121.43 1x67 s LYS 77 Ca 0.28 0.10 -0.12 0.00 -1.00 0.00 0.00 55.97 55.23 1x67 s LYS 77 Cb 0.04 -3.30 0.15 0.00 -2.06 0.00 0.00 37.83 32.67 1x67 s LYS 77 CO 0.09 0.52 0.90 -0.25 0.10 0.00 0.00 175.35 176.71 1x67 n ASP 78 N 2.63 -0.75 -0.03 0.03 9.92 -0.50 -4.88 116.55 122.97 1x67 n ASP 78 Ca -0.15 0.24 -0.14 0.00 -0.53 0.00 0.00 54.79 54.21 1x67 n ASP 78 Cb 0.53 -1.35 -0.11 0.00 -0.64 0.00 0.00 41.12 39.56 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 -2.02 0.15 0.00 -0.24 0.13 -1.92 -3.17 132.00 124.93 1x67 h PRO 79 Ca -0.48 -0.13 -0.45 0.00 -0.87 0.00 0.00 66.00 64.07 1x67 h PRO 79 Cb 1.29 0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.38 1x67 h PRO 79 CO 0.41 0.81 -2.53 0.09 -0.23 0.00 0.00 178.00 176.55 1x67 n ASN 80 N -4.59 1.96 -0.31 1.44 3.02 -1.26 -4.46 115.26 111.06 1x67 n ASN 80 Ca -0.09 0.22 0.13 0.00 -0.03 0.00 0.00 54.58 54.80 1x67 n ASN 80 Cb 0.43 -0.71 0.36 0.00 -0.61 0.00 0.00 39.78 39.25 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 -0.74 0.70 -0.70 6.41 0.02 -1.97 -3.45 113.55 113.82 1x67 h SER 81 Ca -0.67 0.06 -0.30 0.00 -0.84 0.00 0.00 61.79 60.03 1x67 h SER 81 Cb 1.69 -0.07 -0.12 0.00 0.14 0.00 0.00 62.40 64.04 1x67 h SER 81 CO -0.34 0.31 -0.27 0.61 -1.14 0.00 0.00 176.83 176.00 1x67 n GLY 82 N -1.40 1.52 3.56 -3.77 0.00 -1.20 -4.95 105.19 98.95 1x67 n GLY 82 Ca 0.20 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.36 2.94 -0.36 0.99 1.43 -1.26 -4.80 118.68 114.27 1x67 s LEU 83 Ca 0.00 -0.55 -0.29 0.00 -1.03 0.00 0.00 54.13 52.26 1x67 s LEU 83 Cb 0.00 -1.66 -0.00 0.00 0.03 0.00 0.00 46.19 44.55 1x67 s LEU 83 CO 0.00 0.12 1.58 -2.16 0.23 0.00 0.00 176.35 176.12 1x67 s PRO 84 N -2.66 3.51 0.15 1.29 0.04 -1.26 -1.41 135.00 134.67 1x67 s PRO 84 Ca 0.23 1.21 0.05 0.00 0.04 0.00 0.00 61.00 62.53 1x67 s PRO 84 Cb -0.09 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.32 1x67 s PRO 84 CO 0.14 -1.64 0.13 0.15 0.04 0.00 0.00 177.00 175.83 1x67 s LYS 85 N 5.17 2.90 -0.18 4.56 -0.14 0.79 -4.97 119.74 127.88 1x67 s LYS 85 Ca 0.69 -0.84 -0.08 0.00 -1.36 0.00 0.00 55.97 54.38 1x67 s LYS 85 Cb -0.18 -2.66 -0.04 0.00 -1.68 0.00 0.00 37.83 33.27 1x67 s LYS 85 CO 0.32 0.50 0.07 -0.06 -0.76 0.00 0.00 175.35 175.42 1x67 s PHE 86 N -1.70 3.29 -0.07 3.18 0.08 -1.26 -2.45 117.98 119.06 1x67 s PHE 86 Ca 0.31 0.14 0.03 0.00 0.12 0.00 0.00 56.93 57.54 1x67 s PHE 86 Cb -0.10 -2.07 -0.02 0.00 -0.57 0.00 0.00 43.02 40.25 1x67 s PHE 86 CO 0.23 0.22 -0.16 0.08 -0.10 0.00 0.00 175.22 175.49 1x67 s VAL 87 N 0.24 2.84 -0.06 -0.44 1.01 -0.86 -0.12 120.40 123.01 1x67 s VAL 87 Ca 0.05 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.30 1x67 s VAL 87 Cb -0.12 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1x67 s VAL 87 CO -0.00 0.57 -0.24 -0.22 0.00 0.00 0.00 175.10 175.21 1x67 s LEU 88 N -0.40 2.06 -0.06 3.92 2.96 -1.18 -2.66 118.68 123.31 1x67 s LEU 88 Ca 0.04 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1x67 s LEU 88 Cb -0.12 -1.35 0.01 0.00 0.50 0.00 0.00 46.19 45.23 1x67 s LEU 88 CO 0.02 0.23 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.52 1x67 s ILE 89 N -0.10 1.16 -1.15 6.68 1.01 -0.77 -1.84 121.20 126.17 1x67 s ILE 89 Ca -0.05 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 60.02 1x67 s ILE 89 Cb -0.14 -1.05 0.25 0.00 0.01 0.00 0.00 42.46 41.53 1x67 s ILE 89 CO 0.04 0.36 1.48 0.59 0.00 0.00 0.00 174.94 177.41 1x67 n ASN 90 N 3.72 5.74 -4.65 3.58 3.02 -0.10 -2.33 115.26 124.24 1x67 n ASN 90 Ca -0.22 -3.20 -0.50 0.00 -0.03 0.00 0.00 54.58 50.63 1x67 n ASN 90 Cb 0.52 -1.39 -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 2.83 2.03 -3.39 3.10 -0.00 -0.75 -3.71 117.44 117.55 1x67 n TRP 91 Ca 0.30 0.36 -0.25 0.00 -0.00 0.00 0.00 57.50 57.91 1x67 n TRP 91 Cb 0.37 -2.49 -0.10 0.00 -0.00 0.00 0.00 31.31 29.08 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 1.79 0.10 0.51 5.87 2.01 -1.12 -2.30 115.64 122.50 1x67 s THR 92 Ca 0.86 -1.95 -0.21 0.00 0.31 0.00 0.00 61.69 60.70 1x67 s THR 92 Cb -0.82 -1.06 -0.09 0.00 0.01 0.00 0.00 72.50 70.55 1x67 s THR 92 CO 0.47 -0.99 0.86 0.61 -0.69 0.00 0.00 174.62 174.88 1x67 n GLY 93 N 3.54 -0.61 0.17 4.40 0.00 -1.25 -4.32 105.19 107.12 1x67 n GLY 93 Ca 0.19 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.21 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 0.89 0.00 -0.00 1.61 4.11 -1.87 -2.77 114.58 116.54 1x67 h GLU 94 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1x67 h GLU 94 Cb 1.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.61 1x67 h GLU 94 CO 0.53 0.45 0.07 0.78 0.07 0.00 0.00 179.01 180.90 1x67 h GLY 95 N 1.39 0.00 -6.14 1.06 0.00 -1.83 -3.41 103.07 94.14 1x67 h GLY 95 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1x67 h GLY 95 CO 0.06 0.00 1.09 0.14 0.00 0.00 0.00 176.54 177.83 1x67 s VAL 96 N -4.15 3.80 0.42 4.60 1.01 -1.05 -4.96 120.40 120.08 1x67 s VAL 96 Ca -0.05 0.90 -0.24 0.00 0.00 0.00 0.00 61.98 62.59 1x67 s VAL 96 Cb 0.12 -3.85 -0.11 0.00 0.00 0.00 0.00 36.38 32.55 1x67 s VAL 96 CO 0.39 -0.38 0.95 -0.46 0.00 0.00 0.00 175.10 175.60 1x67 n ASN 97 N 8.40 0.99 -0.33 3.32 6.94 -1.26 -4.71 115.26 128.61 1x67 n ASN 97 Ca 0.18 1.02 0.13 0.00 -0.02 0.00 0.00 54.58 55.88 1x67 n ASN 97 Cb 0.46 -1.32 0.35 0.00 -2.36 0.00 0.00 39.78 36.90 1x67 n ASN 97 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1x67 h ASP 98 N 1.42 0.74 -0.36 0.53 3.32 -1.92 0.24 116.42 120.39 1x67 h ASP 98 Ca -0.44 0.07 0.11 0.00 0.02 0.00 0.00 57.03 56.79 1x67 h ASP 98 Cb 1.35 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1x67 h ASP 98 CO 0.56 0.31 0.35 0.58 -1.72 0.00 0.00 179.24 179.32 1x67 h VAL 99 N 0.74 0.49 0.10 -1.35 2.07 -2.02 -0.60 116.25 115.69 1x67 h VAL 99 Ca 0.53 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.72 1x67 h VAL 99 Cb 0.85 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1x67 h VAL 99 CO -0.30 0.00 -1.79 -0.09 0.02 0.00 0.00 177.57 175.41 1x67 h ARG 100 N 0.00 0.22 -0.75 1.57 9.65 -0.85 -3.31 114.38 120.91 1x67 h ARG 100 Ca 0.17 -0.37 0.12 0.00 -1.10 0.00 0.00 59.98 58.80 1x67 h ARG 100 Cb 0.87 0.14 -0.08 0.00 -1.39 0.00 0.00 29.97 29.50 1x67 h ARG 100 CO -0.00 1.05 0.35 0.87 2.80 0.00 0.00 179.97 185.03 1x67 h LYS 101 N 0.06 0.53 0.00 0.20 1.57 -0.62 0.23 116.57 118.54 1x67 h LYS 101 Ca -0.34 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.33 1x67 h LYS 101 Cb 2.03 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 34.21 1x67 h LYS 101 CO 0.12 0.35 -0.39 0.78 -0.57 0.00 0.00 179.45 179.74 1x67 h GLY 102 N 0.55 0.00 1.39 3.86 0.00 -1.63 -2.97 103.07 104.27 1x67 h GLY 102 Ca 0.39 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.43 1x67 h GLY 102 CO -0.33 0.00 -1.22 0.00 0.00 0.00 0.00 176.54 174.98 1x67 h ALA 103 N 1.61 0.06 0.00 3.60 0.00 -1.07 -3.25 119.26 120.21 1x67 h ALA 103 Ca -0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 54.91 54.07 1x67 h ALA 103 Cb 0.81 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1x67 h ALA 103 CO 0.05 0.78 -0.18 0.00 0.00 0.00 0.00 179.25 179.90 1x67 h ALA 105 N 1.82 0.83 0.00 0.00 0.00 -1.55 0.32 119.26 120.68 1x67 h ALA 105 Ca -0.00 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1x67 h ALA 105 Cb 0.31 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1x67 h ALA 105 CO 0.02 -0.26 -0.10 1.03 0.00 0.00 0.00 179.25 179.94 1x67 h SER 106 N 0.34 0.00 0.58 0.00 0.87 -1.65 -2.25 113.55 111.43 1x67 h SER 106 Ca 0.34 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.62 1x67 h SER 106 Cb 0.50 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1x67 h SER 106 CO -0.39 0.10 -1.36 0.45 -0.53 0.00 0.00 176.83 175.11 1x67 h HIS 107 N 0.00 0.43 -0.72 2.24 -0.00 -0.78 -3.31 115.15 113.01 1x67 h HIS 107 Ca -0.00 -0.31 0.06 0.00 -0.00 0.00 0.00 60.37 60.12 1x67 h HIS 107 Cb 0.19 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.54 1x67 h HIS 107 CO 0.00 1.29 0.47 0.28 -0.00 0.00 0.00 177.93 179.98 1x67 h VAL 108 N 0.06 1.03 -0.50 2.45 2.07 0.08 -0.80 116.25 120.65 1x67 h VAL 108 Ca -0.17 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 67.17 1x67 h VAL 108 Cb 1.98 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 1x67 h VAL 108 CO 0.18 0.14 0.34 -1.28 0.02 0.00 0.00 177.57 176.97 1x67 h SER 109 N 0.76 0.26 0.00 0.57 0.87 -1.60 0.22 113.55 114.64 1x67 h SER 109 Ca 0.31 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.82 1x67 h SER 109 Cb 0.23 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1x67 h SER 109 CO -0.10 0.16 -0.30 0.74 -0.53 0.00 0.00 176.83 176.80 1x67 h THR 110 N 0.29 1.09 -0.66 2.23 2.02 -1.34 -3.28 112.91 113.26 1x67 h THR 110 Ca 0.23 -1.92 0.08 0.00 0.77 0.00 0.00 66.41 65.57 1x67 h THR 110 Cb 0.53 2.17 -0.06 0.00 -1.74 0.00 0.00 68.15 69.04 1x67 h THR 110 CO -0.05 0.37 0.33 0.24 0.37 0.00 0.00 175.52 176.78 1x67 h MET 111 N -1.00 0.56 -0.77 6.66 2.07 -1.13 -1.51 114.93 119.80 1x67 h MET 111 Ca -0.07 -0.03 0.13 0.00 -2.07 0.00 0.00 59.70 57.65 1x67 h MET 111 Cb 0.81 -0.13 -0.09 0.00 -1.87 0.00 0.00 31.60 30.33 1x67 h MET 111 CO -0.04 0.37 0.37 0.00 1.07 0.00 0.00 176.91 178.68 1x67 h ALA 112 N 1.39 1.11 -0.13 6.32 0.00 -0.72 0.20 119.26 127.43 1x67 h ALA 112 Ca 0.32 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.20 1x67 h ALA 112 Cb 0.30 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1x67 h ALA 112 CO -0.24 -0.11 -0.41 0.77 0.00 0.00 0.00 179.25 179.26 1x67 h SER 113 N 0.56 0.31 0.05 0.00 0.02 -1.37 -3.18 113.55 109.94 1x67 h SER 113 Ca 0.41 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1x67 h SER 113 Cb 0.55 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1x67 h SER 113 CO -0.34 0.69 -0.02 0.15 -1.14 0.00 0.00 176.83 176.16 1x67 h PHE 114 N 0.24 -0.06 -0.78 3.45 3.57 -0.14 -3.17 116.94 120.05 1x67 h PHE 114 Ca 0.02 -0.00 -0.58 0.00 3.53 0.00 0.00 57.97 60.94 1x67 h PHE 114 Cb 0.83 0.02 -0.11 0.00 2.79 0.00 0.00 35.95 39.49 1x67 h PHE 114 CO 0.02 0.16 1.66 1.28 -2.23 0.00 0.00 178.31 179.20 1x67 n LEU 115 N -5.02 7.32 -4.42 0.59 4.77 -0.50 -4.97 117.00 114.75 1x67 n LEU 115 Ca -0.08 -4.33 -0.29 0.00 -0.03 0.00 0.00 56.01 51.29 1x67 n LEU 115 Cb 0.14 -1.36 0.27 0.00 -2.33 0.00 0.00 43.42 40.14 1x67 n LEU 115 CO 0.33 1.92 0.48 -0.54 -1.33 0.00 0.00 177.39 178.25 1x67 s LYS 116 N -0.49 -1.58 0.00 3.23 1.02 -1.20 -3.80 119.74 116.92 1x67 s LYS 116 Ca 0.60 0.68 0.00 0.00 0.02 0.00 0.00 55.97 57.27 1x67 s LYS 116 Cb 0.26 -1.49 0.00 0.00 -0.52 0.00 0.00 37.83 36.08 1x67 s LYS 116 CO -0.12 -4.12 0.00 0.41 -0.92 0.00 0.00 175.35 170.60 1x67 n GLY 117 N 1.09 3.15 3.51 -3.33 0.00 -1.26 -4.98 105.19 103.36 1x67 n GLY 117 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 0.76 0.22 4.61 0.00 -1.25 -4.23 120.51 119.44 1x67 n ALA 118 Ca 0.00 -0.49 0.08 0.00 0.00 0.00 0.00 53.44 53.04 1x67 n ALA 118 Cb 0.00 -2.75 0.51 0.00 0.00 0.00 0.00 19.45 17.21 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 15.30 0.00 -2.61 0.00 3.86 -0.90 -3.41 115.15 127.38 1x67 h HIS 119 Ca -0.20 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.74 1x67 h HIS 119 Cb 1.30 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 29.42 1x67 h HIS 119 CO 1.00 0.25 -0.59 0.08 0.86 0.00 0.00 177.93 179.53 1x67 s VAL 120 N -4.00 -0.37 -0.25 2.45 1.01 -1.25 -4.88 120.40 113.11 1x67 s VAL 120 Ca -0.02 0.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 1x67 s VAL 120 Cb 0.13 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 1x67 s VAL 120 CO 0.65 -0.07 0.45 -0.89 0.00 0.00 0.00 175.10 175.24 1x67 s THR 121 N 2.37 5.13 -0.08 3.92 2.01 -1.26 -3.10 115.64 124.63 1x67 s THR 121 Ca 0.05 0.77 0.05 0.00 0.31 0.00 0.00 61.69 62.87 1x67 s THR 121 Cb -0.14 -3.77 -0.00 0.00 0.01 0.00 0.00 72.50 68.59 1x67 s THR 121 CO -0.11 0.15 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.10 1x67 s ILE 122 N 1.98 2.05 -0.84 1.82 1.01 -0.77 -5.04 121.20 121.41 1x67 s ILE 122 Ca 0.19 -1.03 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 1x67 s ILE 122 Cb -0.15 -1.76 0.22 0.00 0.01 0.00 0.00 42.46 40.77 1x67 s ILE 122 CO 0.09 0.56 0.75 0.54 0.00 0.00 0.00 174.94 176.88 1x67 s ASN 123 N 0.16 6.31 0.70 3.58 2.20 -1.26 -0.92 114.94 125.71 1x67 s ASN 123 Ca -0.13 -3.12 0.02 0.00 -0.94 0.00 0.00 52.86 48.69 1x67 s ASN 123 Cb -0.16 -2.05 0.13 0.00 -2.00 0.00 0.00 41.25 37.16 1x67 s ASN 123 CO 0.07 -0.38 0.97 0.00 -2.94 0.00 0.00 177.10 174.81 1x67 s ALA 124 N -0.48 4.02 0.00 3.54 0.00 -1.24 -4.94 121.76 122.65 1x67 s ALA 124 Ca 0.22 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.22 1x67 s ALA 124 Cb -0.12 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.20 1x67 s ALA 124 CO -0.08 -1.39 0.00 0.54 0.00 0.00 0.00 175.76 174.83 1x67 n ARG 125 N -2.73 0.00 -3.32 0.00 3.00 -1.26 -2.77 116.66 109.58 1x67 n ARG 125 Ca 0.17 0.00 -0.22 0.00 -0.01 0.00 0.00 57.85 57.79 1x67 n ARG 125 Cb 0.61 -0.29 -0.00 0.00 0.00 0.00 0.00 32.46 32.78 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 -1.25 3.91 0.31 7.54 0.00 -1.26 -3.87 121.76 127.13 1x67 s ALA 126 Ca 0.00 -1.17 0.23 0.00 0.00 0.00 0.00 51.96 51.02 1x67 s ALA 126 Cb 0.00 -1.95 1.12 0.00 0.00 0.00 0.00 23.12 22.29 1x67 s ALA 126 CO 0.00 -0.14 1.93 0.93 0.00 0.00 0.00 175.76 178.49 1x67 h GLU 127 N 0.70 0.00 0.00 0.00 5.08 -1.99 -2.30 114.58 116.08 1x67 h GLU 127 Ca -0.47 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.83 1x67 h GLU 127 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1x67 h GLU 127 CO 0.57 0.21 -0.27 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 -2.93 114.58 115.24 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 0.55 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.67 1x67 h GLU 128 CO 0.03 0.27 0.27 -0.25 0.07 0.00 0.00 179.01 179.39 1x67 n ASP 129 N -3.34 4.15 -0.97 3.06 8.00 -0.86 -3.98 116.55 122.61 1x67 n ASP 129 Ca 0.01 -3.01 -0.01 0.00 0.71 0.00 0.00 54.79 52.49 1x67 n ASP 129 Cb 0.50 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 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 -1.81 2.53 0.24 -1.11 -4.65 118.33 113.36 1x67 n VAL 130 Ca 0.35 -0.31 -0.30 0.00 -2.04 0.00 0.00 64.34 62.04 1x67 n VAL 130 Cb 1.22 0.56 0.04 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 3.04 0.17 7.34 8.01 -1.23 -4.86 118.70 131.17 1x67 s GLU 131 Ca 0.10 0.63 -0.22 0.00 0.01 0.00 0.00 54.97 55.49 1x67 s GLU 131 Cb 0.12 -2.03 0.07 0.00 -4.31 0.00 0.00 34.13 27.99 1x67 s GLU 131 CO -0.05 -0.94 1.60 -1.35 0.01 0.00 0.00 175.26 174.52 1x67 h PRO 132 N -0.59 -0.22 -0.01 0.39 0.11 -1.94 0.44 132.00 130.18 1x67 h PRO 132 Ca -0.45 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 1x67 h PRO 132 Cb 1.23 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1x67 h PRO 132 CO 0.62 -0.15 -0.38 1.05 -0.21 0.00 0.00 178.00 178.93 1x67 h GLU 133 N -0.23 0.01 0.00 1.05 4.11 -1.97 0.73 114.58 118.29 1x67 h GLU 133 Ca 0.19 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.57 1x67 h GLU 133 Cb 0.53 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1x67 h GLU 133 CO -0.56 0.40 -0.17 0.00 0.07 0.00 0.00 179.01 178.75 1x67 n ILE 135 N -3.79 1.56 0.26 0.00 5.41 -0.48 -4.31 119.36 118.00 1x67 n ILE 135 Ca -0.02 -0.49 0.12 0.00 1.00 0.00 0.00 62.75 63.35 1x67 n ILE 135 Cb 0.27 -1.64 0.73 0.00 -0.71 0.00 0.00 39.64 38.29 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 -0.32 0.00 0.00 0.38 2.86 -0.85 -1.21 114.93 115.79 1x67 h MET 136 Ca -0.57 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.02 1x67 h MET 136 Cb 1.80 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.46 1x67 h MET 136 CO -0.15 0.10 -0.26 0.93 1.06 0.00 0.00 176.91 178.59 1x67 h GLU 137 N 0.00 0.00 0.00 1.72 4.39 -1.31 -2.89 114.58 116.49 1x67 h GLU 137 Ca -0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 1x67 h GLU 137 Cb 0.23 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 1x67 h GLU 137 CO 0.01 0.26 -1.87 1.63 -1.16 0.00 0.00 179.01 177.88 1x67 n LYS 138 N -3.74 0.65 0.01 2.33 5.02 -0.56 -4.18 118.16 117.68 1x67 n LYS 138 Ca -0.01 0.11 0.03 0.00 -2.02 0.00 0.00 58.31 56.41 1x67 n LYS 138 Cb 0.36 -1.67 0.38 0.00 -0.02 0.00 0.00 35.03 34.08 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 1.14 -0.39 -0.18 2.07 -1.08 -2.55 116.25 115.26 1x67 h VAL 139 Ca -0.29 -0.41 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 1x67 h VAL 139 Cb 1.82 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1x67 h VAL 139 CO 0.04 0.16 -0.06 0.00 0.02 0.00 0.00 177.57 177.73 1x67 h ALA 140 N 1.66 0.54 -1.47 1.67 0.00 -1.69 -3.40 119.26 116.57 1x67 h ALA 140 Ca 0.13 -0.29 -0.51 0.00 0.00 0.00 0.00 54.91 54.23 1x67 h ALA 140 Cb 0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1x67 h ALA 140 CO -0.02 0.37 1.29 -1.12 0.00 0.00 0.00 179.25 179.78 1x67 s SER 141 N -6.31 5.47 0.99 0.00 0.01 -0.96 -4.96 113.70 107.94 1x67 s SER 141 Ca -0.13 0.20 -0.16 0.00 1.31 0.00 0.00 55.95 57.17 1x67 s SER 141 Cb 0.10 -2.54 0.21 0.00 0.21 0.00 0.00 66.02 64.00 1x67 s SER 141 CO 0.81 -2.25 1.28 -0.83 0.41 0.00 0.00 173.24 172.66 1x67 s GLY 142 N 7.14 1.74 -1.16 3.44 0.00 -1.26 -4.91 107.32 112.31 1x67 s GLY 142 Ca 0.61 -1.13 -0.22 0.00 0.00 0.00 0.00 44.72 43.98 1x67 s GLY 142 CO 0.20 -0.36 1.91 -1.55 0.00 0.00 0.00 173.10 173.30 1x67 n PRO 143 N -3.89 1.88 -3.11 2.90 -0.04 -1.26 -4.71 135.00 126.77 1x67 n PRO 143 Ca 0.14 -2.53 -0.19 0.00 -0.04 0.00 0.00 63.50 60.88 1x67 n PRO 143 Cb 0.59 -3.58 -0.05 0.00 -0.04 0.00 0.00 33.50 30.42 1x67 n PRO 143 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x67 n SER 144 N 12.36 -1.18 -4.78 3.54 7.64 -1.26 -5.13 113.62 124.82 1x67 n SER 144 Ca 0.46 -2.73 -0.38 0.00 1.01 0.00 0.00 58.87 57.24 1x67 n SER 144 Cb 0.46 0.21 -0.06 0.00 -1.01 0.00 0.00 64.21 63.80 1x67 n SER 144 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x67 s SER 145 N -0.51 7.37 0.00 6.43 0.01 -1.26 -5.21 113.70 120.52 1x67 s SER 145 Ca 0.33 1.80 0.08 0.00 1.31 0.00 0.00 55.95 59.47 1x67 s SER 145 Cb 0.11 -2.56 0.47 0.00 0.21 0.00 0.00 66.02 64.24 1x67 s SER 145 CO -0.15 0.00 0.92 0.61 0.41 0.00 0.00 173.24 175.03