#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c0b n GLU 2 N 0.00 4.16 0.00 1.97 1.02 -1.26 -4.73 120.64 121.79 1c0b n GLU 2 Ca 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1c0b n GLU 2 Cb 0.00 -0.38 0.00 0.00 -0.02 0.00 0.00 31.44 31.04 1c0b n GLU 2 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1c0b n THR 3 N -0.60 0.00 -0.07 2.62 -1.04 -1.26 -4.87 114.28 109.05 1c0b n THR 3 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1c0b n THR 3 Cb 0.01 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.39 1c0b n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1c0b h ALA 4 N 0.00 0.01 0.00 2.41 0.00 -1.92 0.37 119.26 120.13 1c0b h ALA 4 Ca 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1c0b h ALA 4 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1c0b h ALA 4 CO 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 179.25 179.18 1c0b h ALA 5 N -0.04 1.42 0.22 0.00 0.00 -1.85 0.30 119.26 119.31 1c0b h ALA 5 Ca -0.01 -0.08 -0.32 0.00 0.00 0.00 0.00 54.91 54.49 1c0b h ALA 5 Cb 0.98 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.79 1c0b h ALA 5 CO -0.01 0.12 -1.48 0.00 0.00 0.00 0.00 179.25 177.88 1c0b h ALA 6 N 1.91 -0.07 -0.32 0.00 0.00 -1.88 -2.39 119.26 116.51 1c0b h ALA 6 Ca -0.00 -0.92 0.03 0.00 0.00 0.00 0.00 54.91 54.02 1c0b h ALA 6 Cb 0.23 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1c0b h ALA 6 CO 0.01 0.74 0.13 0.87 0.00 0.00 0.00 179.25 181.00 1c0b h LYS 7 N 0.06 0.27 -0.35 0.00 6.56 0.56 0.25 116.57 123.92 1c0b h LYS 7 Ca -0.27 -0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 59.24 1c0b h LYS 7 Cb 2.08 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 33.67 1c0b h LYS 7 CO 0.23 0.18 -0.04 0.35 -2.06 0.00 0.00 179.45 178.11 1c0b h PHE 8 N 0.27 0.71 -0.04 -1.35 3.04 -0.54 -2.19 116.94 116.85 1c0b h PHE 8 Ca 0.14 -0.14 -0.06 0.00 3.98 0.00 0.00 57.97 61.90 1c0b h PHE 8 Cb 0.09 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 1c0b h PHE 8 CO -0.12 0.77 -0.24 1.05 -2.02 0.00 0.00 178.31 177.75 1c0b h GLU 9 N 0.44 0.06 -0.09 1.11 4.11 -1.21 0.08 114.58 119.07 1c0b h GLU 9 Ca 0.09 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 1c0b h GLU 9 Cb 0.51 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1c0b h GLU 9 CO 0.02 0.30 0.03 -0.09 0.07 0.00 0.00 179.01 179.34 1c0b h ARG 10 N 0.06 0.14 0.12 1.06 2.43 0.07 -2.80 114.38 115.45 1c0b h ARG 10 Ca 0.01 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 58.95 1c0b h ARG 10 Cb 0.46 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1c0b h ARG 10 CO 0.03 0.31 -0.95 1.96 -1.51 0.00 0.00 179.97 179.81 1c0b h GLN 11 N -0.05 0.25 -0.00 0.20 4.20 -1.14 -3.42 115.11 115.16 1c0b h GLN 11 Ca 0.03 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.31 1c0b h GLN 11 Cb 0.22 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1c0b h GLN 11 CO -0.00 1.20 -0.54 0.72 -0.67 0.00 0.00 178.83 179.55 1c0b n HIS 12 N -4.11 0.00 -4.04 2.96 8.25 -0.01 -4.68 115.22 113.58 1c0b n HIS 12 Ca -0.18 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.93 1c0b n HIS 12 Cb 0.82 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.85 1c0b n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1c0b s MET 13 N -2.08 3.45 -0.46 -0.41 -1.94 -1.05 0.42 119.30 117.23 1c0b s MET 13 Ca 0.05 -0.25 0.06 0.00 -1.71 0.00 0.00 55.69 53.84 1c0b s MET 13 Cb 0.09 -3.09 0.21 0.00 2.01 0.00 0.00 34.83 34.05 1c0b s MET 13 CO 0.47 0.64 0.62 -3.47 -0.01 0.00 0.00 175.02 173.27 1c0b n ASP 14 N 2.39 -1.80 -2.85 3.03 2.03 -0.51 -4.88 116.55 113.96 1c0b n ASP 14 Ca -0.19 -2.82 -0.33 0.00 0.52 0.00 0.00 54.79 51.97 1c0b n ASP 14 Cb 0.54 0.67 -0.02 0.00 -0.72 0.00 0.00 41.12 41.59 1c0b n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1c0b n SER 15 N 2.30 7.06 0.00 1.67 7.64 -1.26 -4.04 113.62 126.98 1c0b n SER 15 Ca 0.20 -3.38 0.00 0.00 1.01 0.00 0.00 58.87 56.70 1c0b n SER 15 Cb 0.55 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1c0b n SER 15 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1c0b n SER 16 N 0.62 1.37 -3.96 6.43 2.88 -1.26 -4.86 113.62 114.83 1c0b n SER 16 Ca 0.52 -0.21 -0.11 0.00 -1.33 0.00 0.00 58.87 57.74 1c0b n SER 16 Cb 0.40 0.68 -0.12 0.00 -0.75 0.00 0.00 64.21 64.42 1c0b n SER 16 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1c0b s THR 17 N -0.96 0.20 -0.28 2.46 -1.32 -1.26 -5.02 115.64 109.46 1c0b s THR 17 Ca 0.00 -0.62 0.28 0.00 -1.21 0.00 0.00 61.69 60.14 1c0b s THR 17 Cb 0.00 -0.27 0.34 0.00 -1.51 0.00 0.00 72.50 71.06 1c0b s THR 17 CO 0.00 -0.27 1.79 0.28 -2.21 0.00 0.00 174.62 174.21 1c0b h SER 18 N 5.18 0.00 0.00 8.08 0.02 -1.90 -3.45 113.55 121.48 1c0b h SER 18 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1c0b h SER 18 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1c0b h SER 18 CO 0.45 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.14 1c0b n ALA 19 N -2.00 0.00 -3.15 3.77 0.00 -1.26 -4.84 120.51 113.04 1c0b n ALA 19 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.52 1c0b n ALA 19 Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.82 1c0b n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c0b s ALA 20 N -1.11 -3.44 -0.78 0.00 0.00 -1.26 -5.05 121.76 110.13 1c0b s ALA 20 Ca 0.00 1.42 0.03 0.00 0.00 0.00 0.00 51.96 53.41 1c0b s ALA 20 Cb 0.00 -2.57 0.20 0.00 0.00 0.00 0.00 23.12 20.75 1c0b s ALA 20 CO 0.00 -1.65 0.64 0.45 0.00 0.00 0.00 175.76 175.20 1c0b n SER 21 N 5.37 3.58 0.00 0.00 2.88 -1.26 -4.75 113.62 119.44 1c0b n SER 21 Ca -0.01 -3.22 0.00 0.00 -1.33 0.00 0.00 58.87 54.31 1c0b n SER 21 Cb 0.55 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 1c0b n SER 21 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1c0b n SER 22 N 1.94 0.00 0.26 -3.46 3.41 -1.26 -4.96 113.62 109.55 1c0b n SER 22 Ca 0.22 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 59.00 1c0b n SER 22 Cb 0.36 0.00 0.78 0.00 -0.26 0.00 0.00 64.21 65.09 1c0b n SER 22 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1c0b h SER 23 N 0.00 0.00 -0.37 4.04 0.87 -1.87 -2.83 113.55 113.39 1c0b h SER 23 Ca 0.00 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1c0b h SER 23 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 1c0b h SER 23 CO 0.00 0.00 0.13 -1.13 -0.53 0.00 0.00 176.83 175.30 1c0b h ASN 24 N 0.00 0.14 -0.29 6.23 -0.73 -1.93 -1.25 115.58 117.74 1c0b h ASN 24 Ca 0.00 0.04 0.03 0.00 1.87 0.00 0.00 56.30 58.24 1c0b h ASN 24 Cb 0.34 0.03 -0.05 0.00 0.27 0.00 0.00 38.32 38.91 1c0b h ASN 24 CO 0.00 0.11 -0.33 0.22 -0.37 0.00 0.00 177.43 177.07 1c0b h TYR 25 N 0.28 -1.00 -0.34 0.67 3.20 -1.89 -0.69 116.97 117.20 1c0b h TYR 25 Ca 0.17 0.05 0.07 0.00 3.14 0.00 0.00 58.73 62.16 1c0b h TYR 25 Cb 0.15 0.48 -0.06 0.00 1.54 0.00 0.00 36.73 38.83 1c0b h TYR 25 CO -0.15 -0.27 -0.06 0.00 -1.64 0.00 0.00 178.16 176.04 1c0b h ASN 27 N 0.03 0.53 -0.22 0.00 2.35 -1.08 0.91 115.58 118.11 1c0b h ASN 27 Ca 0.17 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 1c0b h ASN 27 Cb 0.25 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1c0b h ASN 27 CO -0.33 0.44 -0.03 0.06 -1.65 0.00 0.00 177.43 175.92 1c0b h GLN 28 N 0.58 0.40 0.43 0.81 3.07 -0.78 -2.92 115.11 116.71 1c0b h GLN 28 Ca 0.16 -0.14 -0.02 0.00 0.09 0.00 0.00 58.65 58.73 1c0b h GLN 28 Cb 0.01 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.55 1c0b h GLN 28 CO -0.03 0.62 -0.21 0.52 0.09 0.00 0.00 178.83 179.82 1c0b h MET 29 N 0.15 -0.56 -0.92 0.06 2.86 -0.34 1.17 114.93 117.34 1c0b h MET 29 Ca 0.06 0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.86 1c0b h MET 29 Cb 0.46 0.13 -0.07 0.00 0.06 0.00 0.00 31.60 32.17 1c0b h MET 29 CO 0.02 -0.37 0.59 0.52 1.06 0.00 0.00 176.91 178.73 1c0b h MET 30 N -0.59 0.79 0.09 1.72 2.86 -0.89 0.43 114.93 119.35 1c0b h MET 30 Ca -0.06 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1c0b h MET 30 Cb 0.45 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1c0b h MET 30 CO 0.10 0.53 -0.04 -0.22 1.06 0.00 0.00 176.91 178.33 1c0b h LYS 31 N 0.82 -0.11 -0.01 1.72 3.64 -1.19 2.02 116.57 123.45 1c0b h LYS 31 Ca 0.46 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.86 1c0b h LYS 31 Cb 0.59 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.40 1c0b h LYS 31 CO -0.22 0.31 -0.42 0.77 -2.27 0.00 0.00 179.45 177.63 1c0b h SER 32 N -0.58 -1.29 0.00 4.20 0.02 0.23 0.37 113.55 116.50 1c0b h SER 32 Ca -0.01 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1c0b h SER 32 Cb 0.48 0.49 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1c0b h SER 32 CO 0.02 -0.40 0.00 0.54 -1.14 0.00 0.00 176.83 175.85 1c0b n ARG 33 N -4.77 0.48 -3.30 3.45 5.12 0.06 -4.77 116.66 112.92 1c0b n ARG 33 Ca -0.06 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.63 1c0b n ARG 33 Cb 0.30 -1.25 -0.04 0.00 -1.16 0.00 0.00 32.46 30.31 1c0b n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1c0b n ASN 34 N 0.46 -1.21 0.02 0.55 3.02 0.13 -4.74 115.26 113.49 1c0b n ASN 34 Ca 0.00 -0.55 0.12 0.00 -0.03 0.00 0.00 54.58 54.11 1c0b n ASN 34 Cb 0.17 -1.09 0.49 0.00 -0.61 0.00 0.00 39.78 38.74 1c0b n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1c0b n LEU 35 N -2.84 0.13 0.05 3.41 4.77 0.68 -1.83 117.00 121.38 1c0b n LEU 35 Ca 0.06 0.52 0.11 0.00 -0.03 0.00 0.00 56.01 56.68 1c0b n LEU 35 Cb 0.36 -0.49 0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1c0b n LEU 35 CO 0.52 -0.13 0.02 0.35 -1.33 0.00 0.00 177.39 176.82 1c0b n THR 36 N -1.63 0.31 -1.52 -5.08 -2.24 -1.14 -3.30 114.28 99.68 1c0b n THR 36 Ca 0.05 -0.34 -0.59 0.00 -2.27 0.00 0.00 64.05 60.90 1c0b n THR 36 Cb 0.29 -0.01 -0.09 0.00 -2.10 0.00 0.00 70.33 68.42 1c0b n THR 36 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1c0b n LYS 37 N -2.19 0.00 0.00 -0.78 4.81 -0.76 -2.03 118.16 117.21 1c0b n LYS 37 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1c0b n LYS 37 Cb 0.47 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 34.17 1c0b n LYS 37 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1c0b n ASP 38 N 2.96 0.00 -3.18 3.14 9.92 -1.26 -4.34 116.55 123.78 1c0b n ASP 38 Ca 0.25 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.53 1c0b n ASP 38 Cb -0.02 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.44 1c0b n ASP 38 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1c0b s ARG 39 N 0.00 0.53 -0.06 -1.24 3.52 -0.86 -4.99 118.95 115.85 1c0b s ARG 39 Ca 0.00 0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 56.17 1c0b s ARG 39 Cb 0.00 0.35 -0.03 0.00 -1.56 0.00 0.00 34.95 33.72 1c0b s ARG 39 CO 0.00 -0.67 1.11 0.00 -0.81 0.00 0.00 175.30 174.92 1c0b s LYS 41 N 1.92 3.26 0.12 0.00 -2.85 -1.21 -4.95 119.74 116.04 1c0b s LYS 41 Ca 0.53 1.91 -0.20 0.00 -1.00 0.00 0.00 55.97 57.21 1c0b s LYS 41 Cb -0.22 -2.15 -0.06 0.00 -2.06 0.00 0.00 37.83 33.33 1c0b s LYS 41 CO 0.22 -1.00 1.77 -1.35 0.10 0.00 0.00 175.35 175.09 1c0b h PRO 42 N 1.38 0.22 -3.22 1.78 0.11 -1.94 -3.44 132.00 126.88 1c0b h PRO 42 Ca -0.50 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.41 1c0b h PRO 42 Cb 1.28 -0.05 -0.27 0.00 0.11 0.00 0.00 31.00 32.07 1c0b h PRO 42 CO 0.57 0.15 -0.50 0.54 -0.21 0.00 0.00 178.00 178.55 1c0b s VAL 43 N -6.18 -0.01 -0.04 3.15 0.11 -1.26 -0.37 120.40 115.80 1c0b s VAL 43 Ca -0.13 0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 58.92 1c0b s VAL 43 Cb 0.09 -0.29 0.01 0.00 -1.53 0.00 0.00 36.38 34.66 1c0b s VAL 43 CO 0.69 0.02 0.12 0.21 -3.33 0.00 0.00 175.10 172.80 1c0b s ASN 44 N 0.41 -0.11 -0.14 3.54 2.47 -0.40 -4.99 114.94 115.72 1c0b s ASN 44 Ca -0.03 0.21 -0.03 0.00 0.42 0.00 0.00 52.86 53.43 1c0b s ASN 44 Cb -0.04 0.24 -0.03 0.00 -1.45 0.00 0.00 41.25 39.97 1c0b s ASN 44 CO -0.02 -0.06 -0.04 0.42 -3.72 0.00 0.00 177.10 173.69 1c0b s THR 45 N -0.02 3.91 -0.17 -5.21 -4.23 -1.26 -0.02 115.64 108.64 1c0b s THR 45 Ca -0.01 -0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 60.10 1c0b s THR 45 Cb -0.01 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.11 1c0b s THR 45 CO 0.00 0.51 -0.03 -0.36 -0.54 0.00 0.00 174.62 174.21 1c0b s PHE 46 N 0.17 3.03 -0.21 3.99 0.08 0.32 -4.32 117.98 121.04 1c0b s PHE 46 Ca -0.02 -0.35 -0.18 0.00 0.12 0.00 0.00 56.93 56.51 1c0b s PHE 46 Cb -0.14 -2.00 -0.03 0.00 -0.57 0.00 0.00 43.02 40.28 1c0b s PHE 46 CO 0.03 -0.10 0.49 0.08 -0.10 0.00 0.00 175.22 175.62 1c0b s VAL 47 N 0.55 5.13 -0.34 -0.44 1.01 0.17 -0.43 120.40 126.04 1c0b s VAL 47 Ca -0.02 0.88 0.04 0.00 0.00 0.00 0.00 61.98 62.87 1c0b s VAL 47 Cb -0.14 -3.81 0.49 0.00 0.00 0.00 0.00 36.38 32.92 1c0b s VAL 47 CO 0.02 0.19 1.61 1.41 0.00 0.00 0.00 175.10 178.33 1c0b n HIS 48 N 4.80 2.06 -5.02 5.22 -0.00 0.80 -1.43 115.22 121.64 1c0b n HIS 48 Ca -0.06 -1.30 -0.32 0.00 -0.00 0.00 0.00 57.72 56.04 1c0b n HIS 48 Cb 0.50 -0.69 -0.14 0.00 -0.00 0.00 0.00 29.99 29.66 1c0b n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1c0b s GLU 49 N -2.30 2.48 0.17 -0.41 2.02 -1.26 -4.67 118.70 114.73 1c0b s GLU 49 Ca 0.40 -0.77 -0.20 0.00 0.02 0.00 0.00 54.97 54.41 1c0b s GLU 49 Cb 0.33 -2.29 -0.13 0.00 0.10 0.00 0.00 34.13 32.14 1c0b s GLU 49 CO 0.08 0.55 0.34 0.45 0.02 0.00 0.00 175.26 176.70 1c0b n SER 50 N 2.50 -1.11 -0.26 -0.19 2.88 -1.26 -4.59 113.62 111.59 1c0b n SER 50 Ca -0.17 0.81 0.04 0.00 -1.33 0.00 0.00 58.87 58.21 1c0b n SER 50 Cb 0.52 -0.70 0.17 0.00 -0.75 0.00 0.00 64.21 63.45 1c0b n SER 50 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1c0b h LEU 51 N 0.67 0.44 -0.46 2.46 5.85 -1.96 -1.16 115.31 121.14 1c0b h LEU 51 Ca -0.22 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.65 1c0b h LEU 51 Cb 1.07 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 1c0b h LEU 51 CO 0.41 0.22 0.12 0.00 -0.34 0.00 0.00 178.44 178.85 1c0b h ALA 52 N 1.49 0.53 -0.99 1.25 0.00 -1.99 0.28 119.26 119.83 1c0b h ALA 52 Ca 0.40 0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.53 1c0b h ALA 52 Cb 0.51 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 1c0b h ALA 52 CO -0.33 -0.28 0.62 -0.44 0.00 0.00 0.00 179.25 178.82 1c0b h ASP 53 N 0.27 0.86 0.24 0.00 3.32 -1.56 0.24 116.42 119.79 1c0b h ASP 53 Ca 0.23 0.06 -0.23 0.00 0.02 0.00 0.00 57.03 57.10 1c0b h ASP 53 Cb 0.27 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.72 1c0b h ASP 53 CO -0.27 0.42 -0.96 0.58 -1.72 0.00 0.00 179.24 177.29 1c0b h VAL 54 N 0.90 1.37 -0.27 -1.35 2.07 -0.22 -3.14 116.25 115.60 1c0b h VAL 54 Ca 0.51 -2.38 -0.07 0.00 0.82 0.00 0.00 66.70 65.59 1c0b h VAL 54 Cb 0.63 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 1c0b h VAL 54 CO -0.29 0.72 -0.12 1.56 0.02 0.00 0.00 177.57 179.46 1c0b h GLN 55 N 0.28 0.46 -0.82 1.57 4.20 0.10 -2.71 115.11 118.19 1c0b h GLN 55 Ca -0.09 -0.13 0.19 0.00 0.06 0.00 0.00 58.65 58.69 1c0b h GLN 55 Cb 1.60 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 29.27 1c0b h GLN 55 CO 0.17 0.58 0.56 0.00 -0.67 0.00 0.00 178.83 179.47 1c0b h ALA 56 N 1.45 2.31 0.00 3.87 0.00 -0.54 -0.15 119.26 126.21 1c0b h ALA 56 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1c0b h ALA 56 Cb 0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1c0b h ALA 56 CO 0.03 -0.56 -0.04 0.28 0.00 0.00 0.00 179.25 178.96 1c0b h VAL 57 N 0.30 0.90 0.00 0.00 2.07 -1.53 -1.37 116.25 116.62 1c0b h VAL 57 Ca 0.41 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.79 1c0b h VAL 57 Cb 1.16 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1c0b h VAL 57 CO -0.12 0.04 0.18 0.00 0.02 0.00 0.00 177.57 177.70 1c0b n SER 59 N -2.73 3.92 0.00 0.00 3.41 -0.52 -4.94 113.62 112.76 1c0b n SER 59 Ca -0.02 -3.33 0.00 0.00 -0.26 0.00 0.00 58.87 55.26 1c0b n SER 59 Cb 0.23 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1c0b n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c0b n GLN 60 N -0.57 0.00 -2.48 4.33 6.02 -0.20 -5.05 117.38 119.44 1c0b n GLN 60 Ca 0.33 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.89 1c0b n GLN 60 Cb 0.84 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.08 1c0b n GLN 60 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1c0b s LYS 61 N 3.62 3.98 -0.23 -1.09 1.02 -0.94 -4.86 119.74 121.23 1c0b s LYS 61 Ca 0.00 1.23 -0.28 0.00 0.02 0.00 0.00 55.97 56.94 1c0b s LYS 61 Cb 0.00 -3.83 0.01 0.00 -0.52 0.00 0.00 37.83 33.49 1c0b s LYS 61 CO 0.00 -1.03 1.00 1.21 -0.92 0.00 0.00 175.35 175.61 1c0b s ASN 62 N 2.42 7.05 0.00 2.83 3.04 -1.26 0.21 114.94 129.23 1c0b s ASN 62 Ca 0.53 1.32 0.00 0.00 0.04 0.00 0.00 52.86 54.75 1c0b s ASN 62 Cb -0.16 -2.52 0.00 0.00 -1.54 0.00 0.00 41.25 37.03 1c0b s ASN 62 CO 0.20 -0.64 0.00 1.33 -3.04 0.00 0.00 177.10 174.95 1c0b n VAL 63 N 5.30 0.00 -3.94 -5.21 0.24 0.92 -4.92 118.33 110.73 1c0b n VAL 63 Ca 0.11 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.06 1c0b n VAL 63 Cb 0.46 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.69 1c0b n VAL 63 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1c0b s ALA 64 N -2.00 2.74 0.97 2.33 0.00 -1.26 -1.50 121.76 123.04 1c0b s ALA 64 Ca 0.00 -1.26 -0.13 0.00 0.00 0.00 0.00 51.96 50.56 1c0b s ALA 64 Cb 0.00 -1.66 0.03 0.00 0.00 0.00 0.00 23.12 21.49 1c0b s ALA 64 CO 0.00 -0.54 0.30 0.00 0.00 0.00 0.00 175.76 175.52 1c0b n LYS 66 N -1.50 0.78 0.00 0.00 5.02 -1.26 -4.17 118.16 117.03 1c0b n LYS 66 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1c0b n LYS 66 Cb 0.55 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 1c0b n LYS 66 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1c0b n ASN 67 N 0.31 0.00 -0.03 4.39 4.13 -1.26 -5.02 115.26 117.78 1c0b n ASN 67 Ca 0.00 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.13 1c0b n ASN 67 Cb 0.27 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.40 1c0b n ASN 67 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1c0b h GLY 68 N 0.00 -0.03 0.00 7.41 0.00 -1.97 -3.50 103.07 104.97 1c0b h GLY 68 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1c0b h GLY 68 CO 0.00 -0.01 0.00 -1.06 0.00 0.00 0.00 176.54 175.47 1c0b n GLN 69 N -4.77 0.00 0.00 4.80 6.02 -1.26 -4.80 117.38 117.37 1c0b n GLN 69 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 1c0b n GLN 69 Cb 0.33 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.59 1c0b n GLN 69 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1c0b n THR 70 N 1.39 0.00 -0.72 5.09 5.66 -0.56 -3.80 114.28 121.34 1c0b n THR 70 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1c0b n THR 70 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1c0b n THR 70 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1c0b n ASN 71 N 0.00 -1.49 -4.38 1.09 4.05 -1.26 -4.88 115.26 108.39 1c0b n ASN 71 Ca 0.00 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.70 1c0b n ASN 71 Cb 0.00 -0.25 -0.14 0.00 1.23 0.00 0.00 39.78 40.62 1c0b n ASN 71 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1c0b s TYR 73 N 0.59 1.14 -0.08 0.00 1.51 0.65 -0.06 117.35 121.11 1c0b s TYR 73 Ca -0.06 -0.27 -0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1c0b s TYR 73 Cb -0.15 -0.71 -0.03 0.00 -0.11 0.00 0.00 41.96 40.96 1c0b s TYR 73 CO 0.03 -0.00 -0.06 -1.14 -1.11 0.00 0.00 175.55 173.27 1c0b s GLN 74 N -0.62 2.92 0.19 -0.62 0.74 0.56 -0.55 119.66 122.28 1c0b s GLN 74 Ca 0.03 -0.54 -0.31 0.00 0.05 0.00 0.00 55.36 54.60 1c0b s GLN 74 Cb -0.06 -2.65 -0.09 0.00 1.10 0.00 0.00 33.01 31.30 1c0b s GLN 74 CO 0.00 0.59 1.46 -1.54 -0.55 0.00 0.00 175.29 175.25 1c0b s SER 75 N -0.61 6.69 0.02 6.67 1.04 0.22 -2.21 113.70 125.52 1c0b s SER 75 Ca 0.09 2.55 -0.07 0.00 0.48 0.00 0.00 55.95 59.01 1c0b s SER 75 Cb -0.12 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.37 1c0b s SER 75 CO 0.02 -0.72 1.11 1.88 0.98 0.00 0.00 173.24 176.51 1c0b h TYR 76 N 6.05 -0.31 -0.78 5.02 0.05 -1.94 -3.43 116.97 121.63 1c0b h TYR 76 Ca -0.44 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.35 1c0b h TYR 76 Cb 1.21 0.13 0.00 0.00 1.01 0.00 0.00 36.73 39.08 1c0b h TYR 76 CO 0.63 -0.11 0.00 0.45 -1.05 0.00 0.00 178.16 178.08 1c0b n SER 77 N -3.08 0.00 -4.76 3.88 2.88 -1.26 -5.03 113.62 106.26 1c0b n SER 77 Ca -0.01 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.16 1c0b n SER 77 Cb 0.08 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.47 1c0b n SER 77 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1c0b s THR 78 N 3.43 5.27 -0.04 2.46 -1.32 -1.26 -4.43 115.64 119.74 1c0b s THR 78 Ca 0.00 0.61 0.01 0.00 -1.21 0.00 0.00 61.69 61.10 1c0b s THR 78 Cb 0.00 -3.64 -0.03 0.00 -1.51 0.00 0.00 72.50 67.31 1c0b s THR 78 CO 0.00 0.43 -0.05 -0.04 -2.21 0.00 0.00 174.62 172.75 1c0b s MET 79 N 0.11 2.72 -0.41 7.08 -1.94 0.10 -4.95 119.30 122.02 1c0b s MET 79 Ca 0.18 -0.59 -0.28 0.00 -1.71 0.00 0.00 55.69 53.29 1c0b s MET 79 Cb -0.14 -2.59 -0.01 0.00 2.01 0.00 0.00 34.83 34.10 1c0b s MET 79 CO 0.06 0.65 1.73 0.45 -0.01 0.00 0.00 175.02 177.89 1c0b s SER 80 N -1.07 5.86 0.10 3.03 0.15 -1.26 -2.63 113.70 117.88 1c0b s SER 80 Ca 0.15 0.99 0.09 0.00 0.70 0.00 0.00 55.95 57.87 1c0b s SER 80 Cb -0.11 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 1c0b s SER 80 CO 0.04 -1.79 -0.19 -0.63 1.20 0.00 0.00 173.24 171.87 1c0b s ILE 81 N 7.02 2.79 -0.10 6.45 1.09 -1.14 -0.14 121.20 137.17 1c0b s ILE 81 Ca 0.73 -1.43 0.03 0.00 -1.10 0.00 0.00 60.65 58.88 1c0b s ILE 81 Cb -0.18 -2.25 0.01 0.00 -1.06 0.00 0.00 42.46 38.98 1c0b s ILE 81 CO 0.31 0.17 -0.19 -0.89 -0.10 0.00 0.00 174.94 174.23 1c0b s THR 82 N -1.08 1.74 -0.20 2.92 2.01 0.43 -2.37 115.64 119.10 1c0b s THR 82 Ca 0.17 -0.82 -0.08 0.00 0.31 0.00 0.00 61.69 61.27 1c0b s THR 82 Cb -0.11 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 1c0b s THR 82 CO 0.09 0.49 0.09 -0.62 -0.69 0.00 0.00 174.62 173.97 1c0b s ASP 83 N 0.59 5.80 -0.23 3.53 -1.08 0.22 -0.52 116.67 124.98 1c0b s ASP 83 Ca -0.14 0.10 -0.06 0.00 -0.52 0.00 0.00 52.55 51.93 1c0b s ASP 83 Cb -0.17 -2.01 -0.03 0.00 -1.46 0.00 0.00 42.92 39.26 1c0b s ASP 83 CO 0.04 0.15 0.03 0.00 0.52 0.00 0.00 175.17 175.92 1c0b s ARG 85 N 1.36 2.07 0.69 0.00 1.81 -0.57 -1.27 118.95 123.04 1c0b s ARG 85 Ca 0.05 -0.65 -0.17 0.00 -1.72 0.00 0.00 55.73 53.24 1c0b s ARG 85 Cb -0.15 -2.19 -0.04 0.00 -0.45 0.00 0.00 34.95 32.13 1c0b s ARG 85 CO 0.02 -0.33 0.67 -1.91 -0.68 0.00 0.00 175.30 173.07 1c0b n GLU 86 N 4.76 0.43 -3.18 3.54 2.13 0.50 -0.22 120.64 128.60 1c0b n GLU 86 Ca -0.15 0.19 0.04 0.00 0.66 0.00 0.00 57.16 57.90 1c0b n GLU 86 Cb 0.48 -1.93 -0.03 0.00 0.27 0.00 0.00 31.44 30.23 1c0b n GLU 86 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1c0b s THR 87 N -1.82 -0.08 0.00 6.31 -1.32 0.23 -4.74 115.64 114.22 1c0b s THR 87 Ca 0.69 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.17 1c0b s THR 87 Cb -0.37 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.62 1c0b s THR 87 CO 0.54 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.56 1c0b n GLY 88 N 4.85 -0.23 7.00 6.08 0.00 -1.26 -2.92 105.19 118.70 1c0b n GLY 88 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1c0b n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1c0b n SER 89 N 0.00 0.00 -3.30 1.61 7.64 -1.26 -4.93 113.62 113.38 1c0b n SER 89 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1c0b n SER 89 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1c0b n SER 89 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1c0b n SER 90 N 10.70 -2.81 -3.59 6.43 7.64 -1.26 -4.92 113.62 125.80 1c0b n SER 90 Ca 0.00 0.52 -0.41 0.00 1.01 0.00 0.00 58.87 59.99 1c0b n SER 90 Cb 0.00 -0.66 -0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1c0b n SER 90 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1c0b n LYS 91 N 1.16 4.27 -0.22 1.43 2.85 -1.26 -4.61 118.16 121.78 1c0b n LYS 91 Ca 0.06 -3.44 0.00 0.00 -1.05 0.00 0.00 58.31 53.89 1c0b n LYS 91 Cb 0.36 -2.73 0.00 0.00 -0.65 0.00 0.00 35.03 32.02 1c0b n LYS 91 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1c0b n TYR 92 N 2.45 -0.21 0.00 5.58 4.01 -1.26 -4.99 117.16 122.73 1c0b n TYR 92 Ca 0.56 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.30 1c0b n TYR 92 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1c0b n TYR 92 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1c0b n PRO 93 N 0.00 0.00 -2.41 -0.72 -0.02 -1.26 -4.17 135.00 126.42 1c0b n PRO 93 Ca 0.00 0.17 -0.37 0.00 -2.02 0.00 0.00 63.50 61.27 1c0b n PRO 93 Cb 0.00 -1.69 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 1c0b n PRO 93 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1c0b s ASN 94 N -2.17 6.14 -0.16 2.55 2.47 -1.26 -4.92 114.94 117.58 1c0b s ASN 94 Ca 0.00 -1.43 -0.01 0.00 0.42 0.00 0.00 52.86 51.85 1c0b s ASN 94 Cb 0.00 -2.57 0.04 0.00 -1.45 0.00 0.00 41.25 37.27 1c0b s ASN 94 CO 0.00 -1.85 -0.04 0.00 -3.72 0.00 0.00 177.10 171.49 1c0b s ALA 96 N 1.67 1.97 0.06 0.00 0.00 -1.15 -5.01 121.76 119.30 1c0b s ALA 96 Ca 0.01 -1.35 0.04 0.00 0.00 0.00 0.00 51.96 50.66 1c0b s ALA 96 Cb -0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1c0b s ALA 96 CO -0.08 0.36 -0.12 0.71 0.00 0.00 0.00 175.76 176.64 1c0b s TYR 97 N -1.38 0.99 -0.06 0.00 2.02 -1.26 0.74 117.35 118.41 1c0b s TYR 97 Ca 0.10 -0.47 0.00 0.00 -0.37 0.00 0.00 57.07 56.33 1c0b s TYR 97 Cb -0.09 -0.57 -0.03 0.00 -0.40 0.00 0.00 41.96 40.87 1c0b s TYR 97 CO 0.05 -0.00 -0.04 -1.59 -1.57 0.00 0.00 175.55 172.40 1c0b s LYS 98 N -1.66 2.79 -0.49 -0.62 -2.85 0.69 -4.65 119.74 112.95 1c0b s LYS 98 Ca -0.05 -0.54 -0.16 0.00 -1.00 0.00 0.00 55.97 54.23 1c0b s LYS 98 Cb -0.10 -2.64 0.09 0.00 -2.06 0.00 0.00 37.83 33.12 1c0b s LYS 98 CO 0.01 0.66 0.43 0.99 0.10 0.00 0.00 175.35 177.55 1c0b s THR 99 N -0.88 5.22 -0.20 3.79 2.01 -1.26 -1.50 115.64 122.81 1c0b s THR 99 Ca 0.14 -1.18 -0.07 0.00 0.31 0.00 0.00 61.69 60.89 1c0b s THR 99 Cb -0.11 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 1c0b s THR 99 CO 0.03 -0.66 0.05 -0.89 -0.69 0.00 0.00 174.62 172.46 1c0b s THR 100 N 1.64 4.45 -0.16 -0.82 2.01 -0.21 -4.63 115.64 117.91 1c0b s THR 100 Ca 0.04 -0.14 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 1c0b s THR 100 Cb -0.26 -3.03 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 1c0b s THR 100 CO 0.06 0.42 -0.07 -1.58 -0.69 0.00 0.00 174.62 172.76 1c0b s GLN 101 N 0.86 3.51 0.26 4.92 0.74 -1.26 0.72 119.66 129.40 1c0b s GLN 101 Ca 0.03 -0.60 0.01 0.00 0.05 0.00 0.00 55.36 54.85 1c0b s GLN 101 Cb -0.14 -2.85 -0.00 0.00 1.10 0.00 0.00 33.01 31.11 1c0b s GLN 101 CO 0.02 0.12 0.05 0.00 -0.55 0.00 0.00 175.29 174.93 1c0b n ALA 102 N 3.87 0.29 -3.32 1.58 0.00 -1.00 -5.01 120.51 116.92 1c0b n ALA 102 Ca -0.18 -1.24 -0.25 0.00 0.00 0.00 0.00 53.44 51.77 1c0b n ALA 102 Cb 0.52 0.76 -0.09 0.00 0.00 0.00 0.00 19.45 20.64 1c0b n ALA 102 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1c0b n ASN 103 N -1.49 -0.63 -4.77 0.00 5.03 -1.26 -2.89 115.26 109.25 1c0b n ASN 103 Ca -0.07 -2.46 -0.31 0.00 0.87 0.00 0.00 54.58 52.61 1c0b n ASN 103 Cb 0.36 -0.39 -0.05 0.00 -1.02 0.00 0.00 39.78 38.69 1c0b n ASN 103 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1c0b n LYS 104 N 2.65 0.72 -4.09 3.52 5.02 -1.08 -4.76 118.16 120.15 1c0b n LYS 104 Ca 0.28 -3.67 -0.26 0.00 -2.02 0.00 0.00 58.31 52.63 1c0b n LYS 104 Cb 0.49 0.80 -0.06 0.00 -0.02 0.00 0.00 35.03 36.25 1c0b n LYS 104 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1c0b s HIS 105 N -2.83 3.13 0.04 2.13 -3.43 -1.26 0.01 115.29 113.08 1c0b s HIS 105 Ca 0.10 -0.02 0.06 0.00 -0.80 0.00 0.00 55.06 54.40 1c0b s HIS 105 Cb -0.01 -1.51 -0.03 0.00 -1.43 0.00 0.00 32.58 29.60 1c0b s HIS 105 CO 0.06 0.52 -0.12 0.96 -2.00 0.00 0.00 174.74 174.16 1c0b s ILE 106 N -1.73 3.21 -0.31 -5.38 -4.36 -1.26 -1.62 121.20 109.75 1c0b s ILE 106 Ca 0.31 -1.04 -0.03 0.00 -0.26 0.00 0.00 60.65 59.63 1c0b s ILE 106 Cb -0.10 -2.39 0.05 0.00 1.25 0.00 0.00 42.46 41.26 1c0b s ILE 106 CO 0.23 0.33 0.03 -0.63 0.24 0.00 0.00 174.94 175.13 1c0b s ILE 107 N -0.99 3.21 0.12 8.37 1.01 -1.08 0.69 121.20 132.52 1c0b s ILE 107 Ca 0.17 -1.31 0.09 0.00 0.00 0.00 0.00 60.65 59.60 1c0b s ILE 107 Cb -0.11 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 1c0b s ILE 107 CO 0.07 -0.12 -0.22 0.68 0.00 0.00 0.00 174.94 175.35 1c0b s VAL 108 N 1.30 1.87 -0.02 2.92 -7.23 0.29 -1.93 120.40 117.60 1c0b s VAL 108 Ca -0.04 -1.66 -0.01 0.00 -1.81 0.00 0.00 61.98 58.46 1c0b s VAL 108 Cb -0.20 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 1c0b s VAL 108 CO 0.00 -0.07 0.09 0.00 -0.31 0.00 0.00 175.10 174.81 1c0b s ALA 109 N -1.28 3.60 -0.07 1.32 0.00 -0.62 -0.25 121.76 124.46 1c0b s ALA 109 Ca 0.10 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1c0b s ALA 109 Cb -0.09 -1.61 0.02 0.00 0.00 0.00 0.00 23.12 21.44 1c0b s ALA 109 CO 0.05 0.68 -0.06 0.00 0.00 0.00 0.00 175.76 176.43 1c0b s GLU 111 N 1.19 3.26 0.85 0.00 0.41 -0.10 -4.89 118.70 119.42 1c0b s GLU 111 Ca -0.06 -2.02 -0.11 0.00 -0.41 0.00 0.00 54.97 52.36 1c0b s GLU 111 Cb -0.14 -4.36 0.10 0.00 -1.78 0.00 0.00 34.13 27.95 1c0b s GLU 111 CO -0.02 -1.32 1.09 0.20 -0.49 0.00 0.00 175.26 174.72 1c0b s GLY 112 N 2.99 1.63 0.00 -1.39 0.00 -1.26 -2.63 107.32 106.66 1c0b s GLY 112 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 44.72 44.82 1c0b s GLY 112 CO -0.02 0.45 0.00 1.16 0.00 0.00 0.00 173.10 174.68 1c0b n ASN 113 N -3.73 0.00 -3.16 1.64 2.04 -1.26 -4.78 115.26 106.02 1c0b n ASN 113 Ca 0.07 0.00 -0.19 0.00 -0.44 0.00 0.00 54.58 54.03 1c0b n ASN 113 Cb 0.55 0.00 0.16 0.00 -2.53 0.00 0.00 39.78 37.96 1c0b n ASN 113 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 1c0b n PRO 114 N 0.00 -2.56 -2.81 -0.53 -0.04 -1.26 -5.14 135.00 122.66 1c0b n PRO 114 Ca 0.00 -1.06 -0.41 0.00 -0.04 0.00 0.00 63.50 61.99 1c0b n PRO 114 Cb 0.00 -1.04 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 1c0b n PRO 114 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1c0b s TYR 115 N -2.15 3.71 -0.10 0.54 1.51 -1.26 -4.96 117.35 114.63 1c0b s TYR 115 Ca 0.44 1.63 -0.04 0.00 -1.01 0.00 0.00 57.07 58.09 1c0b s TYR 115 Cb -0.05 -3.00 0.05 0.00 -0.11 0.00 0.00 41.96 38.85 1c0b s TYR 115 CO 0.34 0.12 0.20 0.14 -1.11 0.00 0.00 175.55 175.25 1c0b s VAL 116 N 0.47 -0.23 0.12 0.71 -7.23 -1.08 -4.94 120.40 108.22 1c0b s VAL 116 Ca 0.46 0.26 -0.30 0.00 -1.81 0.00 0.00 61.98 60.59 1c0b s VAL 116 Cb -0.21 -0.34 -0.07 0.00 0.56 0.00 0.00 36.38 36.32 1c0b s VAL 116 CO 0.26 0.11 1.13 -2.16 -0.31 0.00 0.00 175.10 174.14 1c0b s PRO 117 N 1.94 4.53 -0.01 4.82 0.04 -1.26 -0.92 135.00 144.13 1c0b s PRO 117 Ca -0.02 1.73 0.01 0.00 0.04 0.00 0.00 61.00 62.75 1c0b s PRO 117 Cb -0.12 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.10 1c0b s PRO 117 CO -0.07 -0.06 0.00 1.33 0.04 0.00 0.00 177.00 178.24 1c0b n VAL 118 N 3.05 0.05 -3.82 -0.36 0.24 -0.91 -4.32 118.33 112.25 1c0b n VAL 118 Ca 0.05 -0.03 -0.22 0.00 -2.04 0.00 0.00 64.34 62.10 1c0b n VAL 118 Cb 0.46 -0.90 -0.17 0.00 -1.47 0.00 0.00 33.84 31.76 1c0b n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1c0b s HIS 119 N -2.02 0.65 -0.66 6.34 5.65 -1.25 -4.02 115.29 119.98 1c0b s HIS 119 Ca -0.00 -0.15 -0.21 0.00 0.25 0.00 0.00 55.06 54.94 1c0b s HIS 119 Cb 0.00 -0.76 0.09 0.00 -1.18 0.00 0.00 32.58 30.73 1c0b s HIS 119 CO 0.03 -0.30 0.89 0.12 -0.65 0.00 0.00 174.74 174.82 1c0b s PHE 120 N 1.82 2.83 0.00 3.88 2.19 -1.26 -1.59 117.98 125.84 1c0b s PHE 120 Ca 0.03 -0.77 0.00 0.00 0.33 0.00 0.00 56.93 56.52 1c0b s PHE 120 Cb -0.12 -4.19 0.00 0.00 -1.31 0.00 0.00 43.02 37.39 1c0b s PHE 120 CO -0.04 -1.51 0.00 -3.47 1.83 0.00 0.00 175.22 172.02 1c0b n ASP 121 N 7.12 0.00 -4.81 6.13 -0.08 -0.81 -4.93 116.55 119.16 1c0b n ASP 121 Ca -0.04 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.92 1c0b n ASP 121 Cb 0.45 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.92 1c0b n ASP 121 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1c0b s ALA 122 N -2.54 2.76 -1.05 -1.67 0.00 -1.26 -4.91 121.76 113.09 1c0b s ALA 122 Ca 0.00 0.28 -0.03 0.00 0.00 0.00 0.00 51.96 52.21 1c0b s ALA 122 Cb 0.00 -3.20 0.30 0.00 0.00 0.00 0.00 23.12 20.22 1c0b s ALA 122 CO 0.00 -0.86 1.42 -1.13 0.00 0.00 0.00 175.76 175.18 1c0b n SER 123 N -2.30 6.20 0.00 0.00 3.41 -1.26 -2.62 113.62 117.05 1c0b n SER 123 Ca 0.08 -3.40 0.00 0.00 -0.26 0.00 0.00 58.87 55.29 1c0b n SER 123 Cb 0.53 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 1c0b n SER 123 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40