#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1b s GLU 2 N 0.00 0.28 1.20 -1.58 2.12 -1.26 -5.10 118.70 114.37 1u1b s GLU 2 Ca 0.00 -0.31 -0.17 0.00 0.36 0.00 0.00 54.97 54.85 1u1b s GLU 2 Cb 0.00 -1.80 0.29 0.00 0.26 0.00 0.00 34.13 32.88 1u1b s GLU 2 CO 0.00 -0.74 1.04 0.95 -0.54 0.00 0.00 175.26 175.97 1u1b s THR 3 N 2.02 1.71 0.05 -1.70 -4.23 -1.26 -4.73 115.64 107.50 1u1b s THR 3 Ca 0.03 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.33 1u1b s THR 3 Cb -0.16 -2.28 -0.13 0.00 1.34 0.00 0.00 72.50 71.27 1u1b s THR 3 CO -0.15 0.00 1.43 0.00 -0.54 0.00 0.00 174.62 175.36 1u1b h ALA 4 N -2.66 0.21 -0.54 3.99 0.00 -1.97 -0.17 119.26 118.12 1u1b h ALA 4 Ca -0.52 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 1u1b h ALA 4 Cb 1.33 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1u1b h ALA 4 CO 0.43 -0.02 0.30 0.00 0.00 0.00 0.00 179.25 179.96 1u1b h ALA 5 N 0.70 0.69 -0.85 0.00 0.00 -1.90 -1.97 119.26 115.93 1u1b h ALA 5 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1u1b h ALA 5 Cb 0.48 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1u1b h ALA 5 CO 0.02 0.21 0.48 0.00 0.00 0.00 0.00 179.25 179.96 1u1b h ALA 6 N 1.13 1.09 -0.23 0.00 0.00 -1.87 -2.21 119.26 117.17 1u1b h ALA 6 Ca 0.19 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1u1b h ALA 6 Cb 0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1u1b h ALA 6 CO -0.03 0.58 -0.23 -0.22 0.00 0.00 0.00 179.25 179.35 1u1b h LYS 7 N 1.18 0.42 -0.75 0.00 3.64 -0.71 -1.87 116.57 118.48 1u1b h LYS 7 Ca 0.30 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1u1b h LYS 7 Cb 0.01 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1u1b h LYS 7 CO -0.05 0.63 0.28 0.35 -2.27 0.00 0.00 179.45 178.39 1u1b h PHE 8 N 0.38 1.16 -0.74 1.91 3.04 -0.77 -0.16 116.94 121.76 1u1b h PHE 8 Ca 0.06 -0.10 -0.06 0.00 3.98 0.00 0.00 57.97 61.85 1u1b h PHE 8 Cb 0.62 -0.34 -0.03 0.00 2.56 0.00 0.00 35.95 38.76 1u1b h PHE 8 CO 0.02 0.90 0.24 0.93 -2.02 0.00 0.00 178.31 178.37 1u1b h GLU 9 N 1.09 1.14 -0.43 1.11 5.08 -1.06 0.09 114.58 121.61 1u1b h GLU 9 Ca 0.25 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1u1b h GLU 9 Cb 0.25 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1u1b h GLU 9 CO -0.02 0.97 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.82 1u1b h ARG 10 N 1.09 0.79 0.00 2.33 2.43 -0.84 -2.02 114.38 118.16 1u1b h ARG 10 Ca 0.24 -0.28 -0.15 0.00 -0.81 0.00 0.00 59.98 58.98 1u1b h ARG 10 Cb 0.30 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1u1b h ARG 10 CO -0.01 0.88 -0.83 1.96 -1.51 0.00 0.00 179.97 180.47 1u1b h GLN 11 N 0.62 0.00 0.00 0.20 4.20 -0.94 -3.42 115.11 115.77 1u1b h GLN 11 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1u1b h GLN 11 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1u1b h GLN 11 CO 0.03 0.62 -0.02 0.72 -0.67 0.00 0.00 178.83 179.52 1u1b n HIS 12 N -3.21 0.00 -3.58 2.96 8.25 0.01 -4.72 115.22 114.93 1u1b n HIS 12 Ca -0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.08 1u1b n HIS 12 Cb 0.83 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.85 1u1b n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1u1b s MET 13 N -0.60 4.16 -0.43 -0.41 -1.94 -0.76 0.47 119.30 119.79 1u1b s MET 13 Ca 0.00 -0.07 0.05 0.00 -1.71 0.00 0.00 55.69 53.97 1u1b s MET 13 Cb 0.00 -3.49 0.19 0.00 2.01 0.00 0.00 34.83 33.54 1u1b s MET 13 CO 0.00 0.12 0.47 -3.47 -0.01 0.00 0.00 175.02 172.13 1u1b n ASP 14 N 4.02 -1.09 -0.14 3.03 2.03 -0.95 -4.81 116.55 118.64 1u1b n ASP 14 Ca -0.13 -2.57 0.15 0.00 0.52 0.00 0.00 54.79 52.76 1u1b n ASP 14 Cb 0.52 -0.00 0.73 0.00 -0.72 0.00 0.00 41.12 41.64 1u1b n ASP 14 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1u1b n SER 15 N 2.59 0.47 0.17 1.67 3.41 -1.26 -3.64 113.62 117.03 1u1b n SER 15 Ca 0.25 -0.87 0.02 0.00 -0.26 0.00 0.00 58.87 58.01 1u1b n SER 15 Cb 0.51 -0.05 0.35 0.00 -0.26 0.00 0.00 64.21 64.76 1u1b n SER 15 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1u1b h SER 16 N 0.67 0.04 -2.50 4.04 4.64 -1.93 -3.44 113.55 115.07 1u1b h SER 16 Ca 0.00 -0.01 -0.56 0.00 -0.47 0.00 0.00 61.79 60.75 1u1b h SER 16 Cb 0.25 -0.01 -0.14 0.00 -0.31 0.00 0.00 62.40 62.19 1u1b h SER 16 CO 0.00 0.39 -0.72 0.28 -0.87 0.00 0.00 176.83 175.91 1u1b s THR 17 N -4.23 2.12 -1.84 2.95 -1.32 -1.24 -5.04 115.64 107.03 1u1b s THR 17 Ca -0.03 -2.27 0.16 0.00 -1.21 0.00 0.00 61.69 58.34 1u1b s THR 17 Cb 0.14 -2.35 0.25 0.00 -1.51 0.00 0.00 72.50 69.04 1u1b s THR 17 CO 0.73 -0.38 1.16 -1.54 -2.21 0.00 0.00 174.62 172.37 1u1b n SER 18 N -0.60 2.75 -3.60 8.08 3.41 -1.26 -4.62 113.62 117.77 1u1b n SER 18 Ca -0.06 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 1u1b n SER 18 Cb 0.61 -0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 1u1b n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1b s ALA 19 N -1.25 -2.27 -0.66 7.33 0.00 -1.26 -4.88 121.76 118.77 1u1b s ALA 19 Ca 0.25 1.22 -0.26 0.00 0.00 0.00 0.00 51.96 53.17 1u1b s ALA 19 Cb 0.15 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 1u1b s ALA 19 CO 0.22 -0.85 1.89 0.00 0.00 0.00 0.00 175.76 177.02 1u1b s ALA 20 N -2.23 2.07 0.00 0.00 0.00 -1.26 -4.93 121.76 115.41 1u1b s ALA 20 Ca 0.13 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1u1b s ALA 20 Cb 0.03 -4.35 0.00 0.00 0.00 0.00 0.00 23.12 18.80 1u1b s ALA 20 CO -0.04 -4.07 0.00 -1.13 0.00 0.00 0.00 175.76 170.52 1u1b n SER 21 N 13.06 0.00 -4.65 0.00 3.41 -1.26 -4.72 113.62 119.45 1u1b n SER 21 Ca 0.24 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.44 1u1b n SER 21 Cb 0.51 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.47 1u1b n SER 21 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1u1b n SER 22 N 0.00 1.88 0.00 4.04 2.88 -1.26 -4.79 113.62 116.37 1u1b n SER 22 Ca 0.00 1.08 0.07 0.00 -1.33 0.00 0.00 58.87 58.69 1u1b n SER 22 Cb 0.00 -1.42 0.42 0.00 -0.75 0.00 0.00 64.21 62.46 1u1b n SER 22 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1u1b n SER 23 N 0.40 0.00 -0.69 -3.46 7.64 -1.26 -0.11 113.62 116.13 1u1b n SER 23 Ca 0.08 -0.54 0.07 0.00 1.01 0.00 0.00 58.87 59.49 1u1b n SER 23 Cb 0.39 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.78 1u1b n SER 23 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1u1b n ASN 24 N -0.95 3.26 -0.19 6.43 4.05 -1.26 -4.69 115.26 121.91 1u1b n ASN 24 Ca 0.11 -2.47 -0.06 0.00 0.45 0.00 0.00 54.58 52.60 1u1b n ASN 24 Cb 0.05 -0.36 -0.01 0.00 1.23 0.00 0.00 39.78 40.69 1u1b n ASN 24 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 1u1b h TYR 25 N 1.74 -1.00 -0.12 1.20 3.20 -0.85 -2.98 116.97 118.17 1u1b h TYR 25 Ca 0.00 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1u1b h TYR 25 Cb 1.03 0.52 -0.01 0.00 1.54 0.00 0.00 36.73 39.82 1u1b h TYR 25 CO 0.32 -0.39 0.07 0.00 -1.64 0.00 0.00 178.16 176.52 1u1b h ASN 27 N 0.12 0.00 0.07 0.00 2.35 -1.78 -0.59 115.58 115.74 1u1b h ASN 27 Ca 0.04 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.58 1u1b h ASN 27 Cb 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1u1b h ASN 27 CO -0.01 0.00 -1.08 1.56 -1.65 0.00 0.00 177.43 176.26 1u1b h GLN 28 N 0.00 0.14 -0.28 0.81 4.20 -1.46 -3.31 115.11 115.21 1u1b h GLN 28 Ca 0.18 -0.25 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 1u1b h GLN 28 Cb 0.73 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1u1b h GLN 28 CO -0.00 1.12 -0.18 0.52 -0.67 0.00 0.00 178.83 179.61 1u1b h MET 29 N -0.60 0.50 0.00 1.46 2.86 -0.99 0.28 114.93 118.45 1u1b h MET 29 Ca -0.25 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.18 1u1b h MET 29 Cb 1.50 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.12 1u1b h MET 29 CO -0.01 0.67 -0.24 0.52 1.06 0.00 0.00 176.91 178.91 1u1b h MET 30 N 0.46 0.00 0.13 1.72 2.86 -1.29 -0.98 114.93 117.82 1u1b h MET 30 Ca 0.08 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1u1b h MET 30 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1u1b h MET 30 CO 0.04 0.24 -0.06 -0.22 1.06 0.00 0.00 176.91 177.96 1u1b h LYS 31 N 0.00 -0.17 -0.19 1.72 3.64 -1.34 -2.50 116.57 117.73 1u1b h LYS 31 Ca -0.00 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1u1b h LYS 31 Cb 0.48 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1u1b h LYS 31 CO 0.03 -0.02 0.15 0.66 -2.27 0.00 0.00 179.45 178.00 1u1b h SER 32 N -1.03 0.00 -0.24 4.20 4.64 -0.46 -2.21 113.55 118.45 1u1b h SER 32 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1u1b h SER 32 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1u1b h SER 32 CO 0.03 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.53 1u1b n ARG 33 N -4.29 1.68 -3.53 4.77 5.12 -0.38 -4.92 116.66 115.11 1u1b n ARG 33 Ca 0.02 -0.93 -0.24 0.00 -1.93 0.00 0.00 57.85 54.77 1u1b n ARG 33 Cb 0.28 -1.27 0.07 0.00 -1.16 0.00 0.00 32.46 30.39 1u1b n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1u1b n ASN 34 N 0.23 -6.25 -1.77 0.55 5.03 -0.83 -4.83 115.26 107.39 1u1b n ASN 34 Ca 0.09 -0.52 0.08 0.00 0.87 0.00 0.00 54.58 55.10 1u1b n ASN 34 Cb 0.26 -4.94 0.39 0.00 -1.02 0.00 0.00 39.78 34.46 1u1b n ASN 34 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1u1b n LEU 35 N -4.84 5.33 -1.19 3.41 4.77 -0.94 -4.27 117.00 119.28 1u1b n LEU 35 Ca -0.01 -2.70 0.00 0.00 -0.03 0.00 0.00 56.01 53.28 1u1b n LEU 35 Cb 0.57 -0.65 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1u1b n LEU 35 CO 0.63 0.69 0.17 0.35 -1.33 0.00 0.00 177.39 177.90 1u1b n THR 36 N 0.82 0.00 0.12 -5.08 -2.24 -1.24 -3.07 114.28 103.59 1u1b n THR 36 Ca 0.27 -0.56 -0.06 0.00 -2.27 0.00 0.00 64.05 61.43 1u1b n THR 36 Cb 1.08 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 70.03 1u1b n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1u1b h LYS 37 N 0.56 -0.38 -0.03 -0.78 1.79 -1.95 -3.38 116.57 112.40 1u1b h LYS 37 Ca -0.27 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1u1b h LYS 37 Cb 1.66 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 32.40 1u1b h LYS 37 CO -0.02 -0.26 0.00 -0.40 -1.08 0.00 0.00 179.45 177.70 1u1b n ASP 38 N -4.97 2.73 0.00 0.86 5.68 -1.26 -5.01 116.55 114.58 1u1b n ASP 38 Ca -0.05 -1.86 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 1u1b n ASP 38 Cb 0.16 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1u1b n ASP 38 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1u1b n ARG 39 N 1.17 0.00 -3.26 0.11 0.63 -1.26 -5.15 116.66 108.89 1u1b n ARG 39 Ca 0.12 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.68 1u1b n ARG 39 Cb 0.52 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.37 1u1b n ARG 39 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1u1b s LYS 41 N -1.60 3.55 0.19 0.00 2.20 -1.18 -5.00 119.74 117.90 1u1b s LYS 41 Ca 0.35 -0.53 -0.17 0.00 -0.36 0.00 0.00 55.97 55.26 1u1b s LYS 41 Cb -0.17 -3.80 0.16 0.00 -1.51 0.00 0.00 37.83 32.50 1u1b s LYS 41 CO 0.20 -0.47 1.62 -1.35 -0.36 0.00 0.00 175.35 174.99 1u1b h PRO 42 N 8.47 -0.08 -3.71 4.03 0.11 -1.94 -3.43 132.00 135.44 1u1b h PRO 42 Ca -0.31 0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.54 1u1b h PRO 42 Cb 1.15 0.02 -0.30 0.00 0.11 0.00 0.00 31.00 31.98 1u1b h PRO 42 CO 0.66 -0.06 -0.73 0.08 -0.21 0.00 0.00 178.00 177.74 1u1b s VAL 43 N -6.15 0.03 -0.13 3.15 1.01 -1.26 0.26 120.40 117.31 1u1b s VAL 43 Ca -0.14 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 1u1b s VAL 43 Cb 0.17 -0.08 0.04 0.00 0.00 0.00 0.00 36.38 36.51 1u1b s VAL 43 CO 0.71 0.05 0.33 0.21 0.00 0.00 0.00 175.10 176.40 1u1b s ASN 44 N 0.38 -0.37 -0.07 3.32 2.47 -0.55 -5.00 114.94 115.11 1u1b s ASN 44 Ca -0.03 0.69 0.00 0.00 0.42 0.00 0.00 52.86 53.95 1u1b s ASN 44 Cb -0.05 0.64 -0.03 0.00 -1.45 0.00 0.00 41.25 40.36 1u1b s ASN 44 CO -0.01 -0.15 -0.06 -0.89 -3.72 0.00 0.00 177.10 172.27 1u1b s THR 45 N 0.79 3.77 -0.05 -5.21 2.01 -1.26 -0.52 115.64 115.17 1u1b s THR 45 Ca -0.05 -0.45 0.03 0.00 0.31 0.00 0.00 61.69 61.53 1u1b s THR 45 Cb -0.06 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 1u1b s THR 45 CO -0.06 0.60 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.97 1u1b s PHE 46 N -0.78 2.72 -0.20 4.92 0.08 0.12 -4.40 117.98 120.44 1u1b s PHE 46 Ca 0.12 -0.14 -0.05 0.00 0.12 0.00 0.00 56.93 56.98 1u1b s PHE 46 Cb -0.11 -1.63 -0.02 0.00 -0.57 0.00 0.00 43.02 40.68 1u1b s PHE 46 CO 0.02 0.20 -0.01 0.08 -0.10 0.00 0.00 175.22 175.41 1u1b s VAL 47 N -0.74 3.89 -1.10 -0.44 1.01 0.18 -1.12 120.40 122.06 1u1b s VAL 47 Ca 0.12 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 1u1b s VAL 47 Cb -0.11 -2.75 0.29 0.00 0.00 0.00 0.00 36.38 33.81 1u1b s VAL 47 CO 0.01 0.44 1.65 1.41 0.00 0.00 0.00 175.10 178.60 1u1b n HIS 48 N 4.20 2.43 -4.05 5.22 -0.00 0.40 -2.23 115.22 121.19 1u1b n HIS 48 Ca -0.17 -2.60 -0.10 0.00 -0.00 0.00 0.00 57.72 54.85 1u1b n HIS 48 Cb 0.52 -1.35 -0.08 0.00 -0.00 0.00 0.00 29.99 29.08 1u1b n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1u1b s GLU 49 N -2.67 1.15 0.62 -0.41 0.41 -1.26 -4.54 118.70 112.00 1u1b s GLU 49 Ca 0.35 -1.33 -0.15 0.00 -0.41 0.00 0.00 54.97 53.43 1u1b s GLU 49 Cb 0.09 0.34 -0.02 0.00 -1.78 0.00 0.00 34.13 32.76 1u1b s GLU 49 CO 0.04 -0.40 1.07 -1.54 -0.49 0.00 0.00 175.26 173.94 1u1b s SER 50 N -3.03 5.54 0.29 -0.19 1.04 -1.26 -4.25 113.70 111.85 1u1b s SER 50 Ca 0.23 1.85 -0.02 0.00 0.48 0.00 0.00 55.95 58.50 1u1b s SER 50 Cb 0.05 -2.54 0.44 0.00 0.10 0.00 0.00 66.02 64.07 1u1b s SER 50 CO 0.04 -1.33 1.91 0.25 0.98 0.00 0.00 173.24 175.09 1u1b h LEU 51 N 0.21 0.87 -0.84 2.42 5.85 -1.98 -2.03 115.31 119.81 1u1b h LEU 51 Ca -0.47 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.21 1u1b h LEU 51 Cb 1.23 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 1u1b h LEU 51 CO 0.56 0.71 0.54 0.00 -0.34 0.00 0.00 178.44 179.92 1u1b h ALA 52 N 1.43 1.09 -0.48 1.25 0.00 -1.98 0.28 119.26 120.85 1u1b h ALA 52 Ca 0.25 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1u1b h ALA 52 Cb 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1u1b h ALA 52 CO -0.04 0.40 0.04 -0.44 0.00 0.00 0.00 179.25 179.21 1u1b h ASP 53 N 1.08 0.79 -0.18 0.00 3.32 -1.76 -1.53 116.42 118.14 1u1b h ASP 53 Ca 0.33 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 1u1b h ASP 53 Cb -0.03 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 1u1b h ASP 53 CO -0.10 0.88 -0.18 0.58 -1.72 0.00 0.00 179.24 178.70 1u1b h VAL 54 N 0.68 1.34 -0.39 -1.35 2.07 -1.04 -3.09 116.25 114.46 1u1b h VAL 54 Ca 0.14 -1.34 0.04 0.00 0.82 0.00 0.00 66.70 66.35 1u1b h VAL 54 Cb 0.45 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1u1b h VAL 54 CO 0.02 0.40 0.26 1.56 0.02 0.00 0.00 177.57 179.83 1u1b h GLN 55 N 0.09 0.37 0.00 1.57 4.20 -0.39 -0.85 115.11 120.10 1u1b h GLN 55 Ca 0.03 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1u1b h GLN 55 Cb 0.72 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1u1b h GLN 55 CO 0.04 0.25 0.00 0.00 -0.67 0.00 0.00 178.83 178.45 1u1b h ALA 56 N 1.78 1.00 0.00 3.87 0.00 -1.18 -2.35 119.26 122.37 1u1b h ALA 56 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1u1b h ALA 56 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1u1b h ALA 56 CO -0.04 0.00 -0.16 0.28 0.00 0.00 0.00 179.25 179.33 1u1b h VAL 57 N 0.00 1.09 0.00 0.00 2.07 -1.19 -1.71 116.25 116.51 1u1b h VAL 57 Ca 0.00 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1u1b h VAL 57 Cb 0.25 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1u1b h VAL 57 CO 0.00 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.75 1u1b n SER 59 N -1.28 2.34 0.00 0.00 3.41 -0.64 -5.01 113.62 112.44 1u1b n SER 59 Ca 0.04 -3.18 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 1u1b n SER 59 Cb 0.06 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1u1b n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1b n GLN 60 N -1.37 2.12 -2.28 4.33 6.02 -0.16 -5.02 117.38 121.02 1u1b n GLN 60 Ca 0.17 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.73 1u1b n GLN 60 Cb 0.66 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.89 1u1b n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1u1b s LYS 61 N 4.71 3.90 -0.13 -1.09 2.20 -1.16 -4.87 119.74 123.29 1u1b s LYS 61 Ca 0.00 1.49 -0.29 0.00 -0.36 0.00 0.00 55.97 56.80 1u1b s LYS 61 Cb 0.00 -3.94 -0.02 0.00 -1.51 0.00 0.00 37.83 32.36 1u1b s LYS 61 CO 0.00 -1.15 1.20 1.21 -0.36 0.00 0.00 175.35 176.25 1u1b s ASN 62 N 3.34 7.02 0.15 1.43 3.04 -1.26 -0.66 114.94 128.00 1u1b s ASN 62 Ca 0.63 1.68 0.03 0.00 0.04 0.00 0.00 52.86 55.24 1u1b s ASN 62 Cb -0.21 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 36.91 1u1b s ASN 62 CO 0.25 -0.67 -0.05 0.68 -3.04 0.00 0.00 177.10 174.27 1u1b s VAL 63 N 2.96 0.85 0.23 -5.21 -7.23 0.20 -4.95 120.40 107.25 1u1b s VAL 63 Ca 0.53 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.41 1u1b s VAL 63 Cb -0.22 -1.94 -0.09 0.00 0.56 0.00 0.00 36.38 34.70 1u1b s VAL 63 CO 0.16 -0.65 0.97 0.00 -0.31 0.00 0.00 175.10 175.26 1u1b s ALA 64 N -3.53 3.34 0.94 1.32 0.00 -1.26 -2.87 121.76 119.70 1u1b s ALA 64 Ca 0.19 0.66 -0.12 0.00 0.00 0.00 0.00 51.96 52.68 1u1b s ALA 64 Cb 0.05 -3.23 0.16 0.00 0.00 0.00 0.00 23.12 20.09 1u1b s ALA 64 CO 0.01 0.13 1.11 0.00 0.00 0.00 0.00 175.76 177.01 1u1b h LYS 66 N -1.66 0.55 -0.14 0.00 1.57 -1.92 -2.40 116.57 112.56 1u1b h LYS 66 Ca -0.52 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 1u1b h LYS 66 Cb 1.32 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1u1b h LYS 66 CO 0.59 0.47 0.00 0.27 -0.57 0.00 0.00 179.45 180.22 1u1b n ASN 67 N -4.37 1.00 0.00 0.86 6.94 -1.26 -4.90 115.26 113.54 1u1b n ASN 67 Ca 0.02 -1.78 0.00 0.00 -0.02 0.00 0.00 54.58 52.81 1u1b n ASN 67 Cb 0.16 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 1u1b n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u1b n GLY 68 N 0.91 3.26 3.69 4.83 0.00 -0.90 -5.04 105.19 111.93 1u1b n GLY 68 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1u1b n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u1b n GLN 69 N -1.42 0.18 -0.63 1.61 6.02 -1.26 -4.66 117.38 117.22 1u1b n GLN 69 Ca 0.00 0.14 0.01 0.00 -0.01 0.00 0.00 57.00 57.14 1u1b n GLN 69 Cb 0.00 -2.43 0.21 0.00 1.02 0.00 0.00 30.24 29.03 1u1b n GLN 69 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1u1b n THR 70 N -3.30 2.38 -1.52 5.09 -2.24 -1.26 -0.17 114.28 113.25 1u1b n THR 70 Ca 0.14 -2.62 -0.20 0.00 -2.27 0.00 0.00 64.05 59.09 1u1b n THR 70 Cb 0.50 -0.29 0.12 0.00 -2.10 0.00 0.00 70.33 68.57 1u1b n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1u1b n ASN 71 N -1.05 4.57 -4.91 3.42 6.94 -1.26 -4.78 115.26 118.19 1u1b n ASN 71 Ca 0.27 -3.76 -0.31 0.00 -0.02 0.00 0.00 54.58 50.75 1u1b n ASN 71 Cb 0.91 -0.69 -0.04 0.00 -2.36 0.00 0.00 39.78 37.60 1u1b n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1u1b s TYR 73 N -1.51 0.75 -0.17 0.00 1.51 0.99 -0.63 117.35 118.29 1u1b s TYR 73 Ca 0.35 -0.17 -0.07 0.00 -1.01 0.00 0.00 57.07 56.17 1u1b s TYR 73 Cb -0.13 -0.54 -0.04 0.00 -0.11 0.00 0.00 41.96 41.14 1u1b s TYR 73 CO 0.26 -0.07 0.07 -1.14 -1.11 0.00 0.00 175.55 173.56 1u1b s GLN 74 N 0.16 3.89 0.27 -0.62 0.74 0.17 -1.34 119.66 122.94 1u1b s GLN 74 Ca -0.02 -0.32 -0.29 0.00 0.05 0.00 0.00 55.36 54.77 1u1b s GLN 74 Cb -0.07 -3.20 -0.10 0.00 1.10 0.00 0.00 33.01 30.74 1u1b s GLN 74 CO 0.00 0.34 1.29 -1.54 -0.55 0.00 0.00 175.29 174.83 1u1b s SER 75 N 0.18 6.88 0.14 6.67 1.04 -0.06 -2.99 113.70 125.55 1u1b s SER 75 Ca 0.05 2.53 -0.12 0.00 0.48 0.00 0.00 55.95 58.89 1u1b s SER 75 Cb -0.12 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.33 1u1b s SER 75 CO 0.00 -0.49 1.48 1.88 0.98 0.00 0.00 173.24 177.09 1u1b h TYR 76 N 4.29 1.08 -3.59 5.02 0.05 -1.95 -3.43 116.97 118.44 1u1b h TYR 76 Ca -0.47 -0.31 -0.49 0.00 0.05 0.00 0.00 58.73 57.51 1u1b h TYR 76 Cb 1.22 -0.23 0.04 0.00 1.01 0.00 0.00 36.73 38.76 1u1b h TYR 76 CO 0.59 1.13 0.12 -1.12 -1.05 0.00 0.00 178.16 177.83 1u1b s SER 77 N -6.76 6.19 0.27 3.88 0.01 -1.26 -5.04 113.70 110.98 1u1b s SER 77 Ca -0.11 0.91 -0.07 0.00 1.31 0.00 0.00 55.95 58.00 1u1b s SER 77 Cb 0.11 -2.19 -0.06 0.00 0.21 0.00 0.00 66.02 64.09 1u1b s SER 77 CO 0.87 -0.64 0.55 0.42 0.41 0.00 0.00 173.24 174.86 1u1b s THR 78 N -2.78 4.99 0.07 1.44 -4.23 -1.26 -4.51 115.64 109.36 1u1b s THR 78 Ca 0.48 0.20 0.05 0.00 -1.18 0.00 0.00 61.69 61.25 1u1b s THR 78 Cb -0.10 -3.69 -0.03 0.00 1.34 0.00 0.00 72.50 70.02 1u1b s THR 78 CO 0.45 -0.24 -0.14 -0.04 -0.54 0.00 0.00 174.62 174.12 1u1b s MET 79 N -3.29 0.82 -0.11 3.99 -1.94 -0.11 -4.85 119.30 113.81 1u1b s MET 79 Ca 0.45 -0.92 -0.30 0.00 -1.71 0.00 0.00 55.69 53.22 1u1b s MET 79 Cb -0.11 -0.81 -0.03 0.00 2.01 0.00 0.00 34.83 35.89 1u1b s MET 79 CO 0.27 0.18 1.38 0.45 -0.01 0.00 0.00 175.02 177.29 1u1b s SER 80 N -1.65 6.87 0.25 3.03 0.15 -1.26 -2.19 113.70 118.90 1u1b s SER 80 Ca -0.02 1.90 0.01 0.00 0.70 0.00 0.00 55.95 58.54 1u1b s SER 80 Cb -0.10 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.62 1u1b s SER 80 CO 0.02 -0.79 0.09 0.27 1.20 0.00 0.00 173.24 174.03 1u1b s ILE 81 N 3.43 0.57 -0.07 6.45 -4.36 0.30 -0.45 121.20 127.06 1u1b s ILE 81 Ca 0.61 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.98 1u1b s ILE 81 Cb -0.26 -2.62 0.03 0.00 1.25 0.00 0.00 42.46 40.86 1u1b s ILE 81 CO 0.21 -0.02 0.02 -0.89 0.24 0.00 0.00 174.94 174.49 1u1b s THR 82 N -3.75 0.27 -0.16 8.37 2.01 -0.28 -1.94 115.64 120.16 1u1b s THR 82 Ca 0.37 0.15 -0.15 0.00 0.31 0.00 0.00 61.69 62.37 1u1b s THR 82 Cb 0.08 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 1u1b s THR 82 CO 0.13 0.21 0.36 -1.81 -0.69 0.00 0.00 174.62 172.82 1u1b s ASP 83 N 2.01 6.49 -0.27 3.53 1.01 -0.48 -0.71 116.67 128.25 1u1b s ASP 83 Ca 0.05 0.57 -0.05 0.00 0.71 0.00 0.00 52.55 53.83 1u1b s ASP 83 Cb -0.12 -2.22 0.01 0.00 1.01 0.00 0.00 42.92 41.60 1u1b s ASP 83 CO -0.05 0.03 0.02 0.00 0.21 0.00 0.00 175.17 175.38 1u1b s ARG 85 N 1.43 3.40 0.58 0.00 3.00 -1.02 -1.48 118.95 124.86 1u1b s ARG 85 Ca 0.02 -0.64 -0.20 0.00 0.00 0.00 0.00 55.73 54.91 1u1b s ARG 85 Cb -0.17 -2.85 -0.04 0.00 0.00 0.00 0.00 34.95 31.89 1u1b s ARG 85 CO -0.00 -0.00 1.31 -2.00 0.00 0.00 0.00 175.30 174.60 1u1b s GLU 86 N 0.95 2.96 0.45 3.54 2.12 0.14 -1.11 118.70 127.75 1u1b s GLU 86 Ca -0.01 2.10 0.08 0.00 0.36 0.00 0.00 54.97 57.50 1u1b s GLU 86 Cb -0.15 -2.09 0.02 0.00 0.26 0.00 0.00 34.13 32.17 1u1b s GLU 86 CO 0.00 -1.29 0.56 0.95 -0.54 0.00 0.00 175.26 174.94 1u1b s THR 87 N -1.38 2.72 -0.54 -1.70 -4.23 -1.07 -4.86 115.64 104.58 1u1b s THR 87 Ca 0.75 -1.09 0.26 0.00 -1.18 0.00 0.00 61.69 60.43 1u1b s THR 87 Cb -0.38 -2.82 0.30 0.00 1.34 0.00 0.00 72.50 70.94 1u1b s THR 87 CO 0.43 0.00 1.75 1.23 -0.54 0.00 0.00 174.62 177.49 1u1b h GLY 88 N 0.65 0.00 1.38 3.99 0.00 -1.96 -2.92 103.07 104.21 1u1b h GLY 88 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1u1b h GLY 88 CO 0.47 0.00 -0.46 -1.14 0.00 0.00 0.00 176.54 175.42 1u1b n SER 89 N -2.49 0.72 -4.73 0.19 3.41 -1.26 -4.87 113.62 104.58 1u1b n SER 89 Ca 0.04 0.23 -0.42 0.00 -0.26 0.00 0.00 58.87 58.46 1u1b n SER 89 Cb 0.39 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 1u1b n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1u1b s SER 90 N -4.25 6.82 -0.29 4.04 0.15 -1.11 -4.87 113.70 114.19 1u1b s SER 90 Ca 0.08 2.42 0.02 0.00 0.70 0.00 0.00 55.95 59.17 1u1b s SER 90 Cb 0.13 -2.60 0.16 0.00 -1.71 0.00 0.00 66.02 62.01 1u1b s SER 90 CO 0.69 -0.62 0.43 -1.59 1.20 0.00 0.00 173.24 173.34 1u1b s LYS 91 N 0.41 0.43 0.12 5.44 0.00 -1.11 -4.87 119.74 120.17 1u1b s LYS 91 Ca 0.61 0.15 -0.33 0.00 0.00 0.00 0.00 55.97 56.40 1u1b s LYS 91 Cb -0.38 -0.26 -0.18 0.00 0.00 0.00 0.00 37.83 37.01 1u1b s LYS 91 CO 0.35 -1.04 0.77 0.98 0.00 0.00 0.00 175.35 176.41 1u1b n TYR 92 N 5.34 0.04 -0.92 1.78 4.19 -1.26 -0.08 117.16 126.25 1u1b n TYR 92 Ca 0.01 0.99 -0.13 0.00 3.31 0.00 0.00 57.90 62.09 1u1b n TYR 92 Cb 0.50 -2.03 -0.04 0.00 0.49 0.00 0.00 39.34 38.26 1u1b n TYR 92 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1u1b n PRO 93 N 1.23 1.73 -2.53 2.98 -0.02 -1.26 -4.95 135.00 132.18 1u1b n PRO 93 Ca 0.19 -1.14 -0.18 0.00 -2.02 0.00 0.00 63.50 60.35 1u1b n PRO 93 Cb 0.18 -1.63 0.02 0.00 -0.02 0.00 0.00 33.50 32.05 1u1b n PRO 93 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1u1b n ASN 94 N 1.27 3.33 -4.67 2.55 3.02 0.88 -5.08 115.26 116.57 1u1b n ASN 94 Ca 0.28 -3.24 -0.44 0.00 -0.03 0.00 0.00 54.58 51.15 1u1b n ASN 94 Cb 0.63 -0.48 -0.04 0.00 -0.61 0.00 0.00 39.78 39.29 1u1b n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u1b s ALA 96 N 4.17 3.23 0.07 0.00 0.00 -1.26 -4.95 121.76 123.03 1u1b s ALA 96 Ca 0.89 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.76 1u1b s ALA 96 Cb -0.52 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 1u1b s ALA 96 CO 0.44 0.68 -0.05 0.71 0.00 0.00 0.00 175.76 177.54 1u1b s TYR 97 N -1.24 0.72 0.05 0.00 2.02 -1.26 -2.61 117.35 115.02 1u1b s TYR 97 Ca 0.24 -0.90 0.05 0.00 -0.37 0.00 0.00 57.07 56.09 1u1b s TYR 97 Cb -0.12 -0.45 -0.04 0.00 -0.40 0.00 0.00 41.96 40.96 1u1b s TYR 97 CO 0.16 -0.22 -0.08 0.21 -1.57 0.00 0.00 175.55 174.05 1u1b s LYS 98 N -3.51 2.37 -0.13 -0.62 2.20 -0.26 -4.62 119.74 115.18 1u1b s LYS 98 Ca 0.07 -0.86 0.01 0.00 -0.36 0.00 0.00 55.97 54.82 1u1b s LYS 98 Cb 0.04 -2.41 -0.01 0.00 -1.51 0.00 0.00 37.83 33.93 1u1b s LYS 98 CO -0.06 0.56 -0.15 0.99 -0.36 0.00 0.00 175.35 176.33 1u1b s THR 99 N -1.10 2.86 -0.02 3.43 2.01 -1.26 -2.45 115.64 119.12 1u1b s THR 99 Ca 0.19 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.48 1u1b s THR 99 Cb -0.11 -2.19 0.01 0.00 0.01 0.00 0.00 72.50 70.22 1u1b s THR 99 CO 0.11 0.53 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.62 1u1b s THR 100 N 0.36 0.54 0.02 -0.82 2.01 -0.98 -5.02 115.64 111.75 1u1b s THR 100 Ca -0.12 -0.22 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 1u1b s THR 100 Cb -0.16 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1u1b s THR 100 CO 0.06 0.18 0.12 -1.10 -0.69 0.00 0.00 174.62 173.20 1u1b s GLN 101 N 0.31 3.17 0.14 4.92 -0.21 -1.26 -1.39 119.66 125.34 1u1b s GLN 101 Ca -0.04 -0.48 -0.24 0.00 0.02 0.00 0.00 55.36 54.62 1u1b s GLN 101 Cb -0.08 -2.91 0.07 0.00 1.00 0.00 0.00 33.01 31.09 1u1b s GLN 101 CO -0.00 0.63 0.73 0.00 -2.12 0.00 0.00 175.29 174.53 1u1b s ALA 102 N -1.31 -1.60 -0.35 6.09 0.00 -0.82 -4.98 121.76 118.79 1u1b s ALA 102 Ca 0.27 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.71 1u1b s ALA 102 Cb -0.12 0.74 0.11 0.00 0.00 0.00 0.00 23.12 23.84 1u1b s ALA 102 CO 0.19 -0.82 0.12 -0.80 0.00 0.00 0.00 175.76 174.45 1u1b s ASN 103 N -2.73 4.17 0.17 0.00 0.01 -1.26 -0.54 114.94 114.76 1u1b s ASN 103 Ca 0.05 -2.00 -0.05 0.00 -0.71 0.00 0.00 52.86 50.15 1u1b s ASN 103 Cb -0.02 -1.12 -0.02 0.00 0.41 0.00 0.00 41.25 40.50 1u1b s ASN 103 CO -0.07 -0.37 0.20 -0.54 -1.51 0.00 0.00 177.10 174.80 1u1b s LYS 104 N 1.14 1.13 0.34 -0.60 1.02 -0.93 -4.75 119.74 117.10 1u1b s LYS 104 Ca 0.12 -1.35 -0.28 0.00 0.02 0.00 0.00 55.97 54.48 1u1b s LYS 104 Cb -0.19 0.32 -0.09 0.00 -0.52 0.00 0.00 37.83 37.35 1u1b s LYS 104 CO -0.15 -0.39 1.19 -1.01 -0.92 0.00 0.00 175.35 174.07 1u1b s HIS 105 N -4.04 3.23 0.12 3.18 3.76 -1.26 -0.93 115.29 119.35 1u1b s HIS 105 Ca 0.24 1.56 0.06 0.00 -0.15 0.00 0.00 55.06 56.76 1u1b s HIS 105 Cb 0.05 -3.45 -0.04 0.00 1.11 0.00 0.00 32.58 30.25 1u1b s HIS 105 CO 0.04 -1.24 -0.00 0.96 -0.85 0.00 0.00 174.74 173.65 1u1b s ILE 106 N -1.24 3.91 -0.13 0.60 -4.36 -1.26 -0.93 121.20 117.78 1u1b s ILE 106 Ca 0.50 -1.13 0.00 0.00 -0.26 0.00 0.00 60.65 59.76 1u1b s ILE 106 Cb -0.34 -2.90 0.02 0.00 1.25 0.00 0.00 42.46 40.50 1u1b s ILE 106 CO 0.44 0.04 -0.12 -0.63 0.24 0.00 0.00 174.94 174.91 1u1b s ILE 107 N -1.44 1.38 0.17 8.37 1.01 0.29 -0.88 121.20 130.11 1u1b s ILE 107 Ca 0.26 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.45 1u1b s ILE 107 Cb -0.11 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 1u1b s ILE 107 CO 0.18 0.43 -0.13 0.68 0.00 0.00 0.00 174.94 176.10 1u1b s VAL 108 N 1.42 1.46 -0.12 2.92 -7.23 -0.45 -0.59 120.40 117.83 1u1b s VAL 108 Ca 0.02 -2.08 -0.06 0.00 -1.81 0.00 0.00 61.98 58.05 1u1b s VAL 108 Cb -0.13 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 1u1b s VAL 108 CO -0.08 -0.63 0.12 0.00 -0.31 0.00 0.00 175.10 174.20 1u1b s ALA 109 N -2.98 3.77 0.11 1.32 0.00 0.49 -0.01 121.76 124.46 1u1b s ALA 109 Ca 0.18 -0.67 0.10 0.00 0.00 0.00 0.00 51.96 51.57 1u1b s ALA 109 Cb -0.00 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 1u1b s ALA 109 CO 0.04 0.60 -0.24 0.00 0.00 0.00 0.00 175.76 176.16 1u1b n GLU 111 N 1.06 0.55 -0.56 0.00 1.02 -0.37 -4.92 120.64 117.43 1u1b n GLU 111 Ca -0.19 -1.20 0.07 0.00 -0.02 0.00 0.00 57.16 55.82 1u1b n GLU 111 Cb 0.53 1.44 -0.04 0.00 -0.02 0.00 0.00 31.44 33.35 1u1b n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u1b n GLY 112 N -0.28 -2.89 0.00 0.62 0.00 -1.26 -2.53 105.19 98.85 1u1b n GLY 112 Ca -0.04 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1u1b n GLY 112 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1u1b n ASN 113 N -2.92 0.00 -4.64 1.61 5.15 -1.26 -3.52 115.26 109.68 1u1b n ASN 113 Ca -0.04 0.12 -0.55 0.00 -0.60 0.00 0.00 54.58 53.51 1u1b n ASN 113 Cb 0.26 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.44 1u1b n ASN 113 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1u1b n PRO 114 N -0.17 1.20 -2.05 1.20 -0.02 -1.26 -4.66 135.00 129.23 1u1b n PRO 114 Ca 0.00 0.42 -0.39 0.00 -2.02 0.00 0.00 63.50 61.51 1u1b n PRO 114 Cb 0.00 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.24 1u1b n PRO 114 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1u1b s TYR 115 N 4.50 1.69 0.19 6.00 5.04 -1.23 -4.85 117.35 128.69 1u1b s TYR 115 Ca 1.01 0.76 0.04 0.00 -2.44 0.00 0.00 57.07 56.44 1u1b s TYR 115 Cb -1.01 -4.11 -0.05 0.00 0.35 0.00 0.00 41.96 37.15 1u1b s TYR 115 CO 0.61 -2.33 -0.06 0.14 -1.34 0.00 0.00 175.55 172.57 1u1b s VAL 116 N 8.84 1.16 0.22 3.14 -7.23 -1.05 -4.80 120.40 120.68 1u1b s VAL 116 Ca 0.67 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.47 1u1b s VAL 116 Cb -0.13 -2.10 -0.10 0.00 0.56 0.00 0.00 36.38 34.62 1u1b s VAL 116 CO 0.21 -0.54 1.46 -2.84 -0.31 0.00 0.00 175.10 173.09 1u1b s PRO 117 N -3.79 4.26 0.00 4.82 0.02 -1.26 -1.23 135.00 137.82 1u1b s PRO 117 Ca 0.23 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.54 1u1b s PRO 117 Cb 0.04 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1u1b s PRO 117 CO 0.05 -0.46 0.02 1.33 -0.33 0.00 0.00 177.00 177.61 1u1b n VAL 118 N 2.79 0.00 -3.70 3.83 0.24 0.11 -4.50 118.33 117.10 1u1b n VAL 118 Ca 0.09 -0.29 -0.11 0.00 -2.04 0.00 0.00 64.34 61.98 1u1b n VAL 118 Cb 0.40 1.02 -0.10 0.00 -1.47 0.00 0.00 33.84 33.69 1u1b n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1u1b s HIS 119 N -0.55 -0.61 -0.28 6.34 5.65 -1.18 -4.68 115.29 119.99 1u1b s HIS 119 Ca 0.00 1.36 -0.17 0.00 0.25 0.00 0.00 55.06 56.49 1u1b s HIS 119 Cb 0.00 0.26 -0.03 0.00 -1.18 0.00 0.00 32.58 31.64 1u1b s HIS 119 CO 0.00 -0.32 0.49 0.12 -0.65 0.00 0.00 174.74 174.38 1u1b s PHE 120 N 0.89 3.25 -0.21 3.88 2.19 -1.26 -0.38 117.98 126.34 1u1b s PHE 120 Ca -0.05 0.52 -0.19 0.00 0.33 0.00 0.00 56.93 57.54 1u1b s PHE 120 Cb -0.06 -2.73 -0.16 0.00 -1.31 0.00 0.00 43.02 38.77 1u1b s PHE 120 CO -0.07 -0.32 0.09 -3.47 1.83 0.00 0.00 175.22 173.28 1u1b n ASP 121 N 5.54 1.86 -3.59 6.13 2.03 0.25 -4.95 116.55 123.81 1u1b n ASP 121 Ca -0.05 0.45 -0.01 0.00 0.52 0.00 0.00 54.79 55.70 1u1b n ASP 121 Cb 0.50 -0.93 0.01 0.00 -0.72 0.00 0.00 41.12 39.97 1u1b n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u1b s ALA 122 N -2.44 -1.98 0.05 -1.67 0.00 -1.01 -4.95 121.76 109.75 1u1b s ALA 122 Ca -0.28 0.01 0.05 0.00 0.00 0.00 0.00 51.96 51.74 1u1b s ALA 122 Cb 0.06 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 1u1b s ALA 122 CO 0.52 -1.09 -0.14 -1.54 0.00 0.00 0.00 175.76 173.52 1u1b s SER 123 N -3.41 1.61 0.00 0.00 1.04 -1.26 -0.55 113.70 111.13 1u1b s SER 123 Ca 0.22 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1u1b s SER 123 Cb -0.01 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1u1b s SER 123 CO 0.02 -0.00 0.00 1.33 0.98 0.00 0.00 173.24 175.56