#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afu s GLU 2 N 0.00 2.95 0.63 1.97 2.12 -1.26 -5.11 118.70 120.01 1afu s GLU 2 Ca 0.00 -0.61 -0.15 0.00 0.36 0.00 0.00 54.97 54.57 1afu s GLU 2 Cb 0.00 -2.59 -0.02 0.00 0.26 0.00 0.00 34.13 31.78 1afu s GLU 2 CO 0.00 0.50 1.07 0.95 -0.54 0.00 0.00 175.26 177.24 1afu s THR 3 N -0.37 3.66 0.50 -1.70 -4.23 -1.26 -4.84 115.64 107.39 1afu s THR 3 Ca 0.05 0.74 0.18 0.00 -1.18 0.00 0.00 61.69 61.48 1afu s THR 3 Cb -0.12 -3.29 0.32 0.00 1.34 0.00 0.00 72.50 70.75 1afu s THR 3 CO 0.02 -0.51 2.07 0.00 -0.54 0.00 0.00 174.62 175.66 1afu h ALA 4 N 0.13 2.14 -0.16 3.99 0.00 -1.97 0.25 119.26 123.63 1afu h ALA 4 Ca -0.46 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 1afu h ALA 4 Cb 1.23 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1afu h ALA 4 CO 0.56 -0.21 -0.63 0.00 0.00 0.00 0.00 179.25 178.97 1afu h ALA 5 N 1.85 0.59 -0.07 0.00 0.00 -1.86 -1.58 119.26 118.18 1afu h ALA 5 Ca 0.14 -0.55 -0.20 0.00 0.00 0.00 0.00 54.91 54.30 1afu h ALA 5 Cb 0.40 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1afu h ALA 5 CO -0.02 0.71 -0.78 0.00 0.00 0.00 0.00 179.25 179.16 1afu h ALA 6 N 0.87 0.50 -0.69 0.00 0.00 -1.60 -2.70 119.26 115.64 1afu h ALA 6 Ca -0.01 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 1afu h ALA 6 Cb 1.20 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1afu h ALA 6 CO 0.12 0.76 0.23 -0.22 0.00 0.00 0.00 179.25 180.14 1afu h LYS 7 N 0.30 1.06 -0.62 0.00 3.64 -0.91 -1.34 116.57 118.70 1afu h LYS 7 Ca -0.05 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1afu h LYS 7 Cb 1.38 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 1afu h LYS 7 CO 0.14 0.91 0.41 0.35 -2.27 0.00 0.00 179.45 178.98 1afu h PHE 8 N 1.00 0.79 -0.73 1.91 3.57 -1.16 -1.12 116.94 121.20 1afu h PHE 8 Ca 0.22 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 1afu h PHE 8 Cb 0.28 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1afu h PHE 8 CO 0.02 0.50 0.24 0.93 -2.23 0.00 0.00 178.31 177.77 1afu h GLU 9 N 0.84 1.12 -0.14 1.11 5.08 -1.18 -0.49 114.58 120.92 1afu h GLU 9 Ca 0.23 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1afu h GLU 9 Cb -0.09 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1afu h GLU 9 CO -0.05 0.95 0.02 -0.09 -1.00 0.00 0.00 179.01 178.84 1afu h ARG 10 N 1.07 0.24 0.00 2.33 2.43 -0.96 -1.96 114.38 117.53 1afu h ARG 10 Ca 0.24 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1afu h ARG 10 Cb 0.29 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1afu h ARG 10 CO -0.01 0.43 -0.35 1.96 -1.51 0.00 0.00 179.97 180.49 1afu h GLN 11 N 0.01 0.00 0.00 0.20 4.20 -1.22 -3.41 115.11 114.90 1afu h GLN 11 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1afu h GLN 11 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1afu h GLN 11 CO 0.00 0.30 -0.29 0.72 -0.67 0.00 0.00 178.83 178.89 1afu n HIS 12 N -3.16 0.00 -3.80 2.96 8.25 -0.20 -4.70 115.22 114.57 1afu n HIS 12 Ca 0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.13 1afu n HIS 12 Cb 0.66 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.69 1afu n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1afu s MET 13 N -0.99 4.12 -0.44 -0.41 -1.94 -0.74 0.21 119.30 119.12 1afu s MET 13 Ca 0.00 -0.24 0.06 0.00 -1.71 0.00 0.00 55.69 53.80 1afu s MET 13 Cb 0.00 -3.37 0.21 0.00 2.01 0.00 0.00 34.83 33.69 1afu s MET 13 CO 0.00 0.31 0.58 -3.47 -0.01 0.00 0.00 175.02 172.43 1afu n ASP 14 N 3.47 -1.30 0.00 3.03 2.03 -0.34 -4.85 116.55 118.60 1afu n ASP 14 Ca -0.16 -2.76 0.07 0.00 0.52 0.00 0.00 54.79 52.46 1afu n ASP 14 Cb 0.52 0.31 0.35 0.00 -0.72 0.00 0.00 41.12 41.58 1afu n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1afu n SER 15 N 2.15 0.00 0.37 1.67 7.64 -1.26 -3.68 113.62 120.51 1afu n SER 15 Ca 0.21 0.26 -0.18 0.00 1.01 0.00 0.00 58.87 60.18 1afu n SER 15 Cb 0.54 -0.38 -0.09 0.00 -1.01 0.00 0.00 64.21 63.27 1afu n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1afu h SER 16 N 0.00 -0.77 -2.59 6.43 4.64 -1.92 -3.44 113.55 115.89 1afu h SER 16 Ca 0.00 0.01 -0.47 0.00 -0.47 0.00 0.00 61.79 60.87 1afu h SER 16 Cb 0.19 0.20 0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1afu h SER 16 CO 0.00 -0.52 -0.23 0.42 -0.87 0.00 0.00 176.83 175.64 1afu s THR 17 N -5.82 4.81 -0.07 2.95 -4.23 -1.24 -5.01 115.64 107.03 1afu s THR 17 Ca -0.17 -0.61 0.14 0.00 -1.18 0.00 0.00 61.69 59.87 1afu s THR 17 Cb 0.03 -3.74 -0.18 0.00 1.34 0.00 0.00 72.50 69.95 1afu s THR 17 CO 0.60 -0.44 0.78 0.77 -0.54 0.00 0.00 174.62 175.79 1afu h SER 18 N 0.76 0.00 -3.70 3.99 4.64 -1.85 -3.44 113.55 113.95 1afu h SER 18 Ca -0.49 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.61 1afu h SER 18 Cb 1.23 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.27 1afu h SER 18 CO 0.60 0.83 -0.05 0.00 -0.87 0.00 0.00 176.83 177.33 1afu n ALA 19 N -2.47 -0.63 -1.90 5.18 0.00 -1.26 -4.75 120.51 114.68 1afu n ALA 19 Ca -0.13 -1.49 -0.43 0.00 0.00 0.00 0.00 53.44 51.39 1afu n ALA 19 Cb 0.96 1.20 -0.03 0.00 0.00 0.00 0.00 19.45 21.58 1afu n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1afu s ALA 20 N -2.59 3.12 -2.00 0.00 0.00 -1.26 -4.88 121.76 114.15 1afu s ALA 20 Ca 0.25 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1afu s ALA 20 Cb -0.02 -3.93 0.02 0.00 0.00 0.00 0.00 23.12 19.19 1afu s ALA 20 CO 0.18 -2.22 0.76 0.43 0.00 0.00 0.00 175.76 174.92 1afu n SER 21 N 9.43 0.00 0.00 0.00 7.64 -1.26 -4.91 113.62 124.51 1afu n SER 21 Ca 0.22 -1.48 0.00 0.00 1.01 0.00 0.00 58.87 58.62 1afu n SER 21 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1afu n SER 21 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1afu n SER 22 N -0.51 0.00 0.19 6.43 3.41 -1.26 -4.95 113.62 116.94 1afu n SER 22 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 1afu n SER 22 Cb 0.00 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 64.36 1afu n SER 22 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1afu h SER 23 N 0.00 0.00 -0.14 4.04 0.02 -1.95 -2.90 113.55 112.62 1afu h SER 23 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1afu h SER 23 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1afu h SER 23 CO 0.00 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.28 1afu n ASN 24 N -2.75 2.22 -0.11 3.07 3.02 -1.26 -4.54 115.26 114.92 1afu n ASN 24 Ca 0.03 -1.76 -0.07 0.00 -0.03 0.00 0.00 54.58 52.75 1afu n ASN 24 Cb 0.40 -0.08 -0.01 0.00 -0.61 0.00 0.00 39.78 39.48 1afu n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1afu h TYR 25 N 3.17 -0.80 -0.55 3.10 3.20 -1.88 -1.18 116.97 122.03 1afu h TYR 25 Ca 0.00 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1afu h TYR 25 Cb 0.69 0.41 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 1afu h TYR 25 CO 0.08 -0.36 0.25 0.00 -1.64 0.00 0.00 178.16 176.49 1afu h ASN 27 N 0.74 0.93 0.50 0.00 2.35 -1.70 0.12 115.58 118.53 1afu h ASN 27 Ca 0.19 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1afu h ASN 27 Cb 0.14 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1afu h ASN 27 CO -0.02 0.73 -0.24 -0.61 -1.65 0.00 0.00 177.43 175.64 1afu h GLN 28 N 1.06 -0.65 -0.93 0.81 4.15 -0.73 -3.22 115.11 115.60 1afu h GLN 28 Ca 0.27 0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.81 1afu h GLN 28 Cb -0.01 0.15 -0.07 0.00 0.21 0.00 0.00 27.48 27.76 1afu h GLN 28 CO -0.05 -0.43 0.58 0.52 -1.93 0.00 0.00 178.83 177.52 1afu h MET 29 N -0.92 1.01 -0.59 1.69 2.86 -0.58 -2.22 114.93 116.17 1afu h MET 29 Ca -0.07 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 1afu h MET 29 Cb 0.52 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 1afu h MET 29 CO 0.11 0.67 0.23 0.52 1.06 0.00 0.00 176.91 179.51 1afu h MET 30 N 1.04 0.86 0.04 1.72 2.86 -0.87 -1.65 114.93 118.94 1afu h MET 30 Ca 0.41 -0.14 -0.20 0.00 -2.06 0.00 0.00 59.70 57.71 1afu h MET 30 Cb 0.21 -0.15 0.02 0.00 0.06 0.00 0.00 31.60 31.74 1afu h MET 30 CO -0.19 0.71 -0.82 -0.22 1.06 0.00 0.00 176.91 177.45 1afu h LYS 31 N 0.85 0.49 0.00 1.72 3.64 -1.51 -0.84 116.57 120.92 1afu h LYS 31 Ca 0.20 -0.58 -0.05 0.00 -1.27 0.00 0.00 60.65 58.96 1afu h LYS 31 Cb 0.17 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1afu h LYS 31 CO -0.02 1.21 -0.22 0.66 -2.27 0.00 0.00 179.45 178.82 1afu h SER 32 N 0.01 0.00 -0.41 4.20 4.64 -1.24 -1.90 113.55 118.86 1afu h SER 32 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1afu h SER 32 Cb 1.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1afu h SER 32 CO 0.16 0.22 0.00 0.54 -0.87 0.00 0.00 176.83 176.88 1afu n ARG 33 N -3.89 2.01 -2.84 4.77 5.12 -0.63 -4.93 116.66 116.27 1afu n ARG 33 Ca -0.02 -1.56 -0.13 0.00 -1.93 0.00 0.00 57.85 54.21 1afu n ARG 33 Cb 0.31 -1.36 0.03 0.00 -1.16 0.00 0.00 32.46 30.28 1afu n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1afu n ASN 34 N 0.77 -4.18 -0.87 0.55 3.02 -0.71 -4.80 115.26 109.03 1afu n ASN 34 Ca 0.15 -0.21 0.10 0.00 -0.03 0.00 0.00 54.58 54.59 1afu n ASN 34 Cb 0.38 -2.94 0.13 0.00 -0.61 0.00 0.00 39.78 36.74 1afu n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1afu n LEU 35 N -2.57 2.89 -0.10 3.41 4.77 -0.32 -4.22 117.00 120.87 1afu n LEU 35 Ca -0.04 -1.29 0.06 0.00 -0.03 0.00 0.00 56.01 54.71 1afu n LEU 35 Cb 0.55 -0.12 0.08 0.00 -2.33 0.00 0.00 43.42 41.60 1afu n LEU 35 CO 0.30 0.58 0.50 0.35 -1.33 0.00 0.00 177.39 177.78 1afu n THR 36 N 1.13 1.33 0.02 -5.08 -2.24 -1.19 -2.23 114.28 106.02 1afu n THR 36 Ca 0.14 -1.54 -0.01 0.00 -2.27 0.00 0.00 64.05 60.36 1afu n THR 36 Cb 0.50 0.11 -0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1afu n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1afu h LYS 37 N 0.00 -0.06 -0.07 -0.78 3.11 -1.89 -3.39 116.57 113.49 1afu h LYS 37 Ca 0.00 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.72 1afu h LYS 37 Cb 0.91 0.01 0.01 0.00 -1.00 0.00 0.00 32.23 32.16 1afu h LYS 37 CO 0.00 -0.04 -0.44 0.38 -2.81 0.00 0.00 179.45 176.53 1afu h ASP 38 N -0.09 0.52 -3.66 4.20 2.03 -1.89 -3.48 116.42 114.04 1afu h ASP 38 Ca -0.01 -0.67 -0.19 0.00 -0.73 0.00 0.00 57.03 55.44 1afu h ASP 38 Cb 0.05 -0.15 -0.04 0.00 -0.83 0.00 0.00 39.33 38.36 1afu h ASP 38 CO 0.01 1.10 0.01 -2.11 -1.03 0.00 0.00 179.24 177.22 1afu n ARG 39 N -4.31 0.88 -3.10 4.15 1.85 -1.26 -5.10 116.66 109.77 1afu n ARG 39 Ca -0.09 -2.64 -0.41 0.00 -1.00 0.00 0.00 57.85 53.72 1afu n ARG 39 Cb 0.57 2.78 -0.06 0.00 -1.05 0.00 0.00 32.46 34.70 1afu n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1afu s LYS 41 N 2.59 4.22 0.17 0.00 2.20 -0.95 -4.92 119.74 123.05 1afu s LYS 41 Ca 0.26 2.18 -0.14 0.00 -0.36 0.00 0.00 55.97 57.91 1afu s LYS 41 Cb -0.15 -3.70 0.10 0.00 -1.51 0.00 0.00 37.83 32.56 1afu s LYS 41 CO 0.11 -0.72 1.81 -1.35 -0.36 0.00 0.00 175.35 174.83 1afu h PRO 42 N 8.52 0.57 -4.17 4.03 0.11 -1.94 -3.44 132.00 135.69 1afu h PRO 42 Ca -0.40 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 65.42 1afu h PRO 42 Cb 1.19 -0.13 -0.24 0.00 0.11 0.00 0.00 31.00 31.92 1afu h PRO 42 CO 0.93 0.38 -0.73 0.08 -0.21 0.00 0.00 178.00 178.45 1afu s VAL 43 N -6.14 0.28 -0.11 3.15 1.01 -1.26 -0.31 120.40 117.02 1afu s VAL 43 Ca -0.13 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 1afu s VAL 43 Cb 0.13 -0.32 0.07 0.00 0.00 0.00 0.00 36.38 36.25 1afu s VAL 43 CO 0.74 -0.21 0.68 0.21 0.00 0.00 0.00 175.10 176.52 1afu s ASN 44 N -0.84 -0.67 -0.07 3.32 2.47 -0.32 -5.01 114.94 113.82 1afu s ASN 44 Ca -0.06 0.90 0.05 0.00 0.42 0.00 0.00 52.86 54.17 1afu s ASN 44 Cb -0.06 0.78 -0.01 0.00 -1.45 0.00 0.00 41.25 40.51 1afu s ASN 44 CO -0.00 -0.51 -0.24 -0.89 -3.72 0.00 0.00 177.10 171.74 1afu s THR 45 N -0.77 1.97 -0.09 -5.21 2.01 -1.26 0.02 115.64 112.31 1afu s THR 45 Ca -0.08 -1.01 -0.00 0.00 0.31 0.00 0.00 61.69 60.91 1afu s THR 45 Cb -0.01 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 1afu s THR 45 CO 0.07 0.55 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.13 1afu s PHE 46 N -0.02 2.95 -0.16 4.92 0.08 0.35 -4.43 117.98 121.67 1afu s PHE 46 Ca -0.07 -0.10 -0.05 0.00 0.12 0.00 0.00 56.93 56.83 1afu s PHE 46 Cb -0.14 -1.78 -0.03 0.00 -0.57 0.00 0.00 43.02 40.50 1afu s PHE 46 CO 0.05 0.20 -0.01 0.08 -0.10 0.00 0.00 175.22 175.45 1afu s VAL 47 N -0.45 4.19 -0.84 -0.44 1.01 0.13 -0.42 120.40 123.57 1afu s VAL 47 Ca 0.07 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1afu s VAL 47 Cb -0.12 -2.84 0.34 0.00 0.00 0.00 0.00 36.38 33.75 1afu s VAL 47 CO 0.02 0.49 1.59 1.41 0.00 0.00 0.00 175.10 178.62 1afu n HIS 48 N 3.41 3.17 -4.30 5.22 -0.00 -0.09 -1.20 115.22 121.44 1afu n HIS 48 Ca -0.17 -2.91 -0.16 0.00 -0.00 0.00 0.00 57.72 54.48 1afu n HIS 48 Cb 0.52 -0.93 -0.10 0.00 -0.00 0.00 0.00 29.99 29.48 1afu n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1afu s GLU 49 N -4.02 1.24 0.64 -0.41 0.41 -1.26 -4.66 118.70 110.64 1afu s GLU 49 Ca 0.44 -1.61 -0.17 0.00 -0.41 0.00 0.00 54.97 53.23 1afu s GLU 49 Cb 0.27 -0.55 -0.01 0.00 -1.78 0.00 0.00 34.13 32.07 1afu s GLU 49 CO -0.19 -0.07 1.20 -1.54 -0.49 0.00 0.00 175.26 174.17 1afu s SER 50 N -3.25 4.88 0.34 -0.19 1.04 -1.26 -4.32 113.70 110.94 1afu s SER 50 Ca 0.25 2.33 0.01 0.00 0.48 0.00 0.00 55.95 59.03 1afu s SER 50 Cb 0.05 -2.59 0.59 0.00 0.10 0.00 0.00 66.02 64.18 1afu s SER 50 CO 0.06 -1.80 1.99 0.25 0.98 0.00 0.00 173.24 174.73 1afu h LEU 51 N 0.43 0.76 -0.56 2.42 5.85 -1.98 -2.19 115.31 120.03 1afu h LEU 51 Ca -0.49 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.16 1afu h LEU 51 Cb 1.29 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1afu h LEU 51 CO 0.53 0.56 0.19 0.00 -0.34 0.00 0.00 178.44 179.39 1afu h ALA 52 N 1.57 0.73 -0.53 1.25 0.00 -1.99 -0.09 119.26 120.20 1afu h ALA 52 Ca 0.24 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1afu h ALA 52 Cb -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1afu h ALA 52 CO -0.05 0.38 0.13 -0.44 0.00 0.00 0.00 179.25 179.27 1afu h ASP 53 N 0.78 0.75 -0.21 0.00 3.32 -1.78 -1.78 116.42 117.50 1afu h ASP 53 Ca 0.18 -0.13 -0.15 0.00 0.02 0.00 0.00 57.03 56.95 1afu h ASP 53 Cb 0.26 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1afu h ASP 53 CO -0.01 0.74 -0.47 0.58 -1.72 0.00 0.00 179.24 178.36 1afu h VAL 54 N 0.78 1.31 0.00 -1.35 2.07 -1.18 -3.12 116.25 114.76 1afu h VAL 54 Ca 0.17 -1.69 -0.04 0.00 0.82 0.00 0.00 66.70 65.96 1afu h VAL 54 Cb 0.29 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1afu h VAL 54 CO -0.00 0.53 -0.20 1.56 0.02 0.00 0.00 177.57 179.48 1afu h GLN 55 N 0.39 0.00 0.00 1.57 4.20 -0.82 -2.02 115.11 118.43 1afu h GLN 55 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1afu h GLN 55 Cb 1.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.86 1afu h GLN 55 CO 0.10 0.20 -0.01 0.00 -0.67 0.00 0.00 178.83 178.46 1afu h ALA 56 N 1.80 1.44 -0.01 3.87 0.00 -1.26 -2.51 119.26 122.58 1afu h ALA 56 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1afu h ALA 56 Cb 0.38 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1afu h ALA 56 CO 0.03 0.01 0.01 0.28 0.00 0.00 0.00 179.25 179.58 1afu h VAL 57 N 0.00 0.71 0.00 0.00 2.07 -1.41 -1.39 116.25 116.24 1afu h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1afu h VAL 57 Cb 0.03 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1afu h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1afu n SER 59 N -1.59 3.27 0.00 0.00 7.64 -0.52 -4.99 113.62 117.43 1afu n SER 59 Ca 0.02 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 57.18 1afu n SER 59 Cb 0.12 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1afu n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1afu n GLN 60 N -0.43 1.43 -2.48 1.43 6.02 -0.36 -5.03 117.38 117.96 1afu n GLN 60 Ca 0.17 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.73 1afu n GLN 60 Cb 0.70 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.93 1afu n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1afu s LYS 61 N 4.48 3.66 0.08 -1.09 2.20 -1.06 -4.87 119.74 123.13 1afu s LYS 61 Ca 0.00 0.76 -0.30 0.00 -0.36 0.00 0.00 55.97 56.06 1afu s LYS 61 Cb 0.00 -3.96 -0.06 0.00 -1.51 0.00 0.00 37.83 32.30 1afu s LYS 61 CO 0.00 -1.47 1.19 1.21 -0.36 0.00 0.00 175.35 175.92 1afu s ASN 62 N 3.17 7.10 0.13 1.43 3.84 -1.26 -0.14 114.94 129.21 1afu s ASN 62 Ca 0.54 2.04 -0.05 0.00 0.21 0.00 0.00 52.86 55.60 1afu s ASN 62 Cb -0.10 -2.58 -0.02 0.00 -0.55 0.00 0.00 41.25 37.99 1afu s ASN 62 CO 0.32 -0.43 0.15 0.68 -2.79 0.00 0.00 177.10 175.03 1afu s VAL 63 N 0.84 0.11 0.39 -5.21 -7.23 -0.01 -4.92 120.40 104.36 1afu s VAL 63 Ca 0.57 -1.59 -0.25 0.00 -1.81 0.00 0.00 61.98 58.90 1afu s VAL 63 Cb -0.30 -1.79 -0.09 0.00 0.56 0.00 0.00 36.38 34.76 1afu s VAL 63 CO 0.30 -0.50 1.07 0.00 -0.31 0.00 0.00 175.10 175.66 1afu s ALA 64 N -3.97 3.13 0.63 1.32 0.00 -1.26 -3.03 121.76 118.58 1afu s ALA 64 Ca 0.16 0.75 -0.09 0.00 0.00 0.00 0.00 51.96 52.78 1afu s ALA 64 Cb 0.06 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1afu s ALA 64 CO -0.02 -0.24 0.99 0.00 0.00 0.00 0.00 175.76 176.49 1afu h LYS 66 N -0.37 0.65 0.00 0.00 1.57 -1.93 -1.07 116.57 115.43 1afu h LYS 66 Ca -0.45 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1afu h LYS 66 Cb 1.25 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1afu h LYS 66 CO 0.62 0.45 0.00 0.27 -0.57 0.00 0.00 179.45 180.22 1afu n ASN 67 N -4.45 0.00 0.00 0.86 6.94 -1.26 -4.87 115.26 112.48 1afu n ASN 67 Ca 0.04 -0.90 0.00 0.00 -0.02 0.00 0.00 54.58 53.70 1afu n ASN 67 Cb 0.07 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.49 1afu n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1afu n GLY 68 N 0.72 0.73 3.78 4.83 0.00 -0.41 -5.06 105.19 109.78 1afu n GLY 68 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1afu n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1afu s GLN 69 N -0.75 1.77 -0.18 1.61 -0.21 -1.26 -4.76 119.66 115.87 1afu s GLN 69 Ca 0.00 0.68 0.15 0.00 0.02 0.00 0.00 55.36 56.20 1afu s GLN 69 Cb 0.00 -1.88 0.38 0.00 1.00 0.00 0.00 33.01 32.51 1afu s GLN 69 CO 0.00 -1.85 1.22 0.25 -2.12 0.00 0.00 175.29 172.79 1afu n THR 70 N -3.59 2.10 -1.32 -0.19 -2.24 -1.26 -0.78 114.28 106.99 1afu n THR 70 Ca 0.07 -2.73 -0.27 0.00 -2.27 0.00 0.00 64.05 58.85 1afu n THR 70 Cb 0.56 -0.25 0.13 0.00 -2.10 0.00 0.00 70.33 68.68 1afu n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1afu n ASN 71 N -1.23 5.27 -4.82 3.42 6.94 -1.26 -4.75 115.26 118.83 1afu n ASN 71 Ca 0.19 -3.70 -0.31 0.00 -0.02 0.00 0.00 54.58 50.73 1afu n ASN 71 Cb 0.70 -0.86 -0.06 0.00 -2.36 0.00 0.00 39.78 37.21 1afu n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1afu s TYR 73 N -1.38 0.29 -0.14 0.00 1.51 0.10 -0.83 117.35 116.90 1afu s TYR 73 Ca 0.29 -0.06 -0.04 0.00 -1.01 0.00 0.00 57.07 56.25 1afu s TYR 73 Cb -0.12 -0.19 -0.03 0.00 -0.11 0.00 0.00 41.96 41.50 1afu s TYR 73 CO 0.22 -0.01 0.01 -1.14 -1.11 0.00 0.00 175.55 173.52 1afu s GLN 74 N -0.09 3.50 0.31 -0.62 0.74 0.80 -1.15 119.66 123.16 1afu s GLN 74 Ca 0.01 -0.42 -0.29 0.00 0.05 0.00 0.00 55.36 54.71 1afu s GLN 74 Cb -0.01 -2.96 -0.10 0.00 1.10 0.00 0.00 33.01 31.03 1afu s GLN 74 CO -0.00 0.44 1.35 -1.54 -0.55 0.00 0.00 175.29 174.99 1afu s SER 75 N -0.13 6.71 0.15 6.67 1.04 0.14 -2.57 113.70 125.71 1afu s SER 75 Ca 0.05 2.71 -0.11 0.00 0.48 0.00 0.00 55.95 59.08 1afu s SER 75 Cb -0.13 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1afu s SER 75 CO 0.02 -0.60 1.55 1.88 0.98 0.00 0.00 173.24 177.07 1afu h TYR 76 N 3.78 1.10 -1.70 5.02 0.05 -1.95 -3.43 116.97 119.85 1afu h TYR 76 Ca -0.48 -0.26 -0.45 0.00 0.05 0.00 0.00 58.73 57.59 1afu h TYR 76 Cb 1.22 -0.26 0.04 0.00 1.01 0.00 0.00 36.73 38.74 1afu h TYR 76 CO 0.57 1.07 -0.10 -1.12 -1.05 0.00 0.00 178.16 177.53 1afu s SER 77 N -6.65 5.19 0.25 3.88 0.01 -1.26 -5.06 113.70 110.06 1afu s SER 77 Ca -0.12 -0.41 -0.08 0.00 1.31 0.00 0.00 55.95 56.66 1afu s SER 77 Cb 0.12 -0.37 -0.06 0.00 0.21 0.00 0.00 66.02 65.92 1afu s SER 77 CO 0.86 -1.20 0.55 0.42 0.41 0.00 0.00 173.24 174.28 1afu s THR 78 N -2.68 4.98 0.11 1.44 -4.23 -1.26 -4.37 115.64 109.63 1afu s THR 78 Ca 0.59 0.30 0.05 0.00 -1.18 0.00 0.00 61.69 61.45 1afu s THR 78 Cb -0.08 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.06 1afu s THR 78 CO 0.38 -0.17 -0.13 -0.04 -0.54 0.00 0.00 174.62 174.12 1afu s MET 79 N -3.11 0.95 -0.20 3.99 -1.94 0.23 -4.85 119.30 114.37 1afu s MET 79 Ca 0.46 -1.20 -0.29 0.00 -1.71 0.00 0.00 55.69 52.95 1afu s MET 79 Cb -0.11 -0.77 -0.01 0.00 2.01 0.00 0.00 34.83 35.96 1afu s MET 79 CO 0.25 0.14 1.24 0.45 -0.01 0.00 0.00 175.02 177.09 1afu s SER 80 N -2.42 6.91 0.09 3.03 0.15 -1.26 -1.81 113.70 118.38 1afu s SER 80 Ca 0.07 1.56 0.02 0.00 0.70 0.00 0.00 55.95 58.30 1afu s SER 80 Cb -0.04 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 1afu s SER 80 CO 0.02 -0.81 -0.07 0.27 1.20 0.00 0.00 173.24 173.84 1afu s ILE 81 N 3.64 0.74 -0.13 6.45 -4.36 -0.11 -0.92 121.20 126.51 1afu s ILE 81 Ca 0.54 -1.78 0.01 0.00 -0.26 0.00 0.00 60.65 59.15 1afu s ILE 81 Cb -0.20 -1.50 0.02 0.00 1.25 0.00 0.00 42.46 42.03 1afu s ILE 81 CO 0.15 -0.75 -0.14 -0.89 0.24 0.00 0.00 174.94 173.54 1afu s THR 82 N -3.13 1.52 -0.18 8.37 2.01 0.44 -0.38 115.64 124.29 1afu s THR 82 Ca 0.08 -0.63 -0.15 0.00 0.31 0.00 0.00 61.69 61.30 1afu s THR 82 Cb 0.02 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1afu s THR 82 CO -0.03 0.45 0.37 -0.62 -0.69 0.00 0.00 174.62 174.09 1afu s ASP 83 N 1.26 6.45 -0.16 3.53 -1.08 0.17 -0.50 116.67 126.35 1afu s ASP 83 Ca -0.00 0.53 -0.02 0.00 -0.52 0.00 0.00 52.55 52.54 1afu s ASP 83 Cb -0.14 -2.22 -0.02 0.00 -1.46 0.00 0.00 42.92 39.09 1afu s ASP 83 CO -0.06 -0.01 -0.09 0.00 0.52 0.00 0.00 175.17 175.53 1afu s ARG 85 N 0.60 0.23 0.29 0.00 3.52 -0.88 -1.17 118.95 121.53 1afu s ARG 85 Ca -0.06 0.13 -0.30 0.00 -0.13 0.00 0.00 55.73 55.38 1afu s ARG 85 Cb -0.15 -0.49 -0.12 0.00 -1.56 0.00 0.00 34.95 32.63 1afu s ARG 85 CO 0.03 -0.18 1.50 -1.91 -0.81 0.00 0.00 175.30 173.93 1afu n GLU 86 N 4.37 2.45 -1.47 5.12 2.13 0.58 -0.47 120.64 133.34 1afu n GLU 86 Ca -0.22 0.87 -0.30 0.00 0.66 0.00 0.00 57.16 58.17 1afu n GLU 86 Cb 0.50 -2.59 0.11 0.00 0.27 0.00 0.00 31.44 29.74 1afu n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1afu s THR 87 N -0.25 2.74 0.33 6.31 -4.23 -0.77 -4.82 115.64 114.95 1afu s THR 87 Ca 0.63 0.24 0.20 0.00 -1.18 0.00 0.00 61.69 61.58 1afu s THR 87 Cb -0.54 -2.93 0.19 0.00 1.34 0.00 0.00 72.50 70.55 1afu s THR 87 CO 0.52 -0.31 1.90 1.23 -0.54 0.00 0.00 174.62 177.42 1afu h GLY 88 N -1.28 0.00 0.19 3.99 0.00 -1.94 -2.93 103.07 101.10 1afu h GLY 88 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1afu h GLY 88 CO 0.59 0.00 -0.23 1.44 0.00 0.00 0.00 176.54 178.34 1afu n SER 89 N -3.79 1.06 -4.76 0.19 7.64 -1.26 -4.95 113.62 107.75 1afu n SER 89 Ca -0.01 -0.94 -0.41 0.00 1.01 0.00 0.00 58.87 58.52 1afu n SER 89 Cb 0.36 0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 1afu n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1afu s SER 90 N -2.46 6.68 -0.15 6.43 0.15 -1.11 -4.98 113.70 118.27 1afu s SER 90 Ca 0.26 2.70 -0.07 0.00 0.70 0.00 0.00 55.95 59.53 1afu s SER 90 Cb 0.19 -2.64 0.06 0.00 -1.71 0.00 0.00 66.02 61.93 1afu s SER 90 CO 0.50 -0.64 0.35 -0.75 1.20 0.00 0.00 173.24 173.90 1afu s LYS 91 N -1.06 0.31 0.41 5.44 2.20 -0.96 -4.93 119.74 121.15 1afu s LYS 91 Ca 0.55 0.74 -0.27 0.00 -0.36 0.00 0.00 55.97 56.63 1afu s LYS 91 Cb -0.41 -0.01 -0.10 0.00 -1.51 0.00 0.00 37.83 35.80 1afu s LYS 91 CO 0.48 -0.18 1.44 -0.47 -0.36 0.00 0.00 175.35 176.26 1afu s TYR 92 N 1.62 2.55 -1.42 4.03 5.04 -1.26 0.77 117.35 128.68 1afu s TYR 92 Ca -0.07 1.23 0.26 0.00 -2.44 0.00 0.00 57.07 56.05 1afu s TYR 92 Cb -0.10 -3.95 1.31 0.00 0.35 0.00 0.00 41.96 39.57 1afu s TYR 92 CO -0.11 -2.88 1.88 -0.35 -1.34 0.00 0.00 175.55 172.74 1afu n PRO 93 N 0.14 0.36 -3.14 4.97 -0.04 -1.26 -4.97 135.00 131.07 1afu n PRO 93 Ca 0.03 0.04 -0.45 0.00 -0.04 0.00 0.00 63.50 63.08 1afu n PRO 93 Cb 0.41 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1afu n PRO 93 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1afu s ASN 94 N -2.58 7.13 -0.15 3.54 -0.87 0.23 -4.98 114.94 117.27 1afu s ASN 94 Ca 0.24 -3.16 -0.29 0.00 -1.57 0.00 0.00 52.86 48.08 1afu s ASN 94 Cb 0.17 -2.31 -0.01 0.00 -0.02 0.00 0.00 41.25 39.08 1afu s ASN 94 CO 0.40 -0.56 1.18 0.00 -2.57 0.00 0.00 177.10 175.55 1afu s ALA 96 N 3.03 2.46 0.06 0.00 0.00 -1.26 -4.94 121.76 121.10 1afu s ALA 96 Ca 0.52 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1afu s ALA 96 Cb -0.21 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 1afu s ALA 96 CO 0.15 0.55 -0.07 0.71 0.00 0.00 0.00 175.76 177.09 1afu s TYR 97 N -0.74 0.73 -0.09 0.00 2.02 -1.26 -1.85 117.35 116.16 1afu s TYR 97 Ca 0.12 -0.63 -0.13 0.00 -0.37 0.00 0.00 57.07 56.06 1afu s TYR 97 Cb -0.10 -0.43 -0.05 0.00 -0.40 0.00 0.00 41.96 40.98 1afu s TYR 97 CO 0.01 -0.11 0.31 0.15 -1.57 0.00 0.00 175.55 174.35 1afu s LYS 98 N -2.25 3.95 -0.21 -0.62 1.02 0.38 -4.66 119.74 117.34 1afu s LYS 98 Ca -0.04 0.19 -0.06 0.00 0.02 0.00 0.00 55.97 56.08 1afu s LYS 98 Cb -0.05 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.93 1afu s LYS 98 CO -0.01 0.53 0.03 0.99 -0.92 0.00 0.00 175.35 175.98 1afu s THR 99 N -0.47 4.22 -0.21 2.17 2.01 -1.26 -2.07 115.64 120.02 1afu s THR 99 Ca 0.19 -0.22 -0.01 0.00 0.31 0.00 0.00 61.69 61.97 1afu s THR 99 Cb -0.14 -2.93 0.06 0.00 0.01 0.00 0.00 72.50 69.50 1afu s THR 99 CO 0.08 0.40 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.50 1afu s THR 100 N 1.11 1.07 0.10 -0.82 2.01 -0.26 -4.99 115.64 113.86 1afu s THR 100 Ca 0.03 -0.88 -0.25 0.00 0.31 0.00 0.00 61.69 60.91 1afu s THR 100 Cb -0.14 -1.42 -0.07 0.00 0.01 0.00 0.00 72.50 70.88 1afu s THR 100 CO 0.02 -0.11 0.76 -1.58 -0.69 0.00 0.00 174.62 173.02 1afu s GLN 101 N 1.61 4.51 0.22 4.92 2.00 -1.26 0.42 119.66 132.08 1afu s GLN 101 Ca -0.03 1.09 -0.13 0.00 -2.00 0.00 0.00 55.36 54.29 1afu s GLN 101 Cb -0.18 -3.31 -0.00 0.00 0.80 0.00 0.00 33.01 30.32 1afu s GLN 101 CO -0.07 0.42 0.45 0.00 -0.50 0.00 0.00 175.29 175.59 1afu s ALA 102 N -0.57 -0.30 -0.25 1.58 0.00 0.48 -4.96 121.76 117.73 1afu s ALA 102 Ca 0.37 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1afu s ALA 102 Cb -0.22 1.00 0.07 0.00 0.00 0.00 0.00 23.12 23.97 1afu s ALA 102 CO 0.24 -0.81 -0.01 -0.80 0.00 0.00 0.00 175.76 174.38 1afu s ASN 103 N -2.99 3.85 0.24 0.00 0.01 -1.26 -0.94 114.94 113.86 1afu s ASN 103 Ca 0.19 -1.30 -0.05 0.00 -0.71 0.00 0.00 52.86 51.00 1afu s ASN 103 Cb 0.00 -1.10 -0.02 0.00 0.41 0.00 0.00 41.25 40.53 1afu s ASN 103 CO 0.06 -0.28 0.30 -0.54 -1.51 0.00 0.00 177.10 175.12 1afu s LYS 104 N 1.44 1.43 0.27 -0.60 1.02 -0.75 -4.77 119.74 117.77 1afu s LYS 104 Ca -0.01 -1.52 -0.24 0.00 0.02 0.00 0.00 55.97 54.21 1afu s LYS 104 Cb -0.18 0.37 -0.09 0.00 -0.52 0.00 0.00 37.83 37.40 1afu s LYS 104 CO -0.09 -0.54 0.86 -1.01 -0.92 0.00 0.00 175.35 173.64 1afu s HIS 105 N -3.95 3.74 0.11 3.18 3.76 0.64 -0.60 115.29 122.16 1afu s HIS 105 Ca 0.32 1.66 0.06 0.00 -0.15 0.00 0.00 55.06 56.95 1afu s HIS 105 Cb 0.03 -2.82 -0.04 0.00 1.11 0.00 0.00 32.58 30.86 1afu s HIS 105 CO 0.13 0.31 -0.04 0.96 -0.85 0.00 0.00 174.74 175.25 1afu s ILE 106 N -1.49 3.71 -0.18 0.60 -4.36 -1.26 0.20 121.20 118.42 1afu s ILE 106 Ca 0.45 -1.17 0.01 0.00 -0.26 0.00 0.00 60.65 59.68 1afu s ILE 106 Cb -0.19 -2.77 0.02 0.00 1.25 0.00 0.00 42.46 40.77 1afu s ILE 106 CO 0.24 0.08 -0.19 -0.63 0.24 0.00 0.00 174.94 174.69 1afu s ILE 107 N -1.33 2.00 0.11 8.37 1.09 0.89 -0.69 121.20 131.64 1afu s ILE 107 Ca 0.24 -0.93 0.05 0.00 -1.10 0.00 0.00 60.65 58.91 1afu s ILE 107 Cb -0.11 -1.83 -0.04 0.00 -1.06 0.00 0.00 42.46 39.43 1afu s ILE 107 CO 0.16 0.50 -0.13 0.68 -0.10 0.00 0.00 174.94 176.05 1afu s VAL 108 N 1.31 1.20 -0.08 2.92 -7.23 -0.30 0.19 120.40 118.42 1afu s VAL 108 Ca 0.04 -1.61 -0.14 0.00 -1.81 0.00 0.00 61.98 58.46 1afu s VAL 108 Cb -0.13 -1.39 -0.05 0.00 0.56 0.00 0.00 36.38 35.37 1afu s VAL 108 CO -0.12 -0.41 0.35 0.00 -0.31 0.00 0.00 175.10 174.61 1afu s ALA 109 N -2.02 3.66 0.03 1.32 0.00 -0.13 -0.73 121.76 123.89 1afu s ALA 109 Ca 0.06 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 51.75 1afu s ALA 109 Cb -0.06 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 1afu s ALA 109 CO 0.02 0.32 -0.17 0.00 0.00 0.00 0.00 175.76 175.93 1afu s GLU 111 N -1.33 1.35 0.09 0.00 2.12 -0.53 -4.90 118.70 115.51 1afu s GLU 111 Ca 0.14 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.93 1afu s GLU 111 Cb -0.11 0.59 0.00 0.00 0.26 0.00 0.00 34.13 34.88 1afu s GLU 111 CO 0.05 -0.60 0.00 0.41 -0.54 0.00 0.00 175.26 174.58 1afu n GLY 112 N -0.39 -2.44 2.71 -1.50 0.00 -1.26 -2.52 105.19 99.79 1afu n GLY 112 Ca -0.15 -1.59 -0.28 0.00 0.00 0.00 0.00 46.02 44.00 1afu n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1afu s ASN 113 N -2.02 2.98 0.39 1.61 3.04 -1.26 -1.88 114.94 117.79 1afu s ASN 113 Ca 0.00 -0.89 -0.27 0.00 0.04 0.00 0.00 52.86 51.74 1afu s ASN 113 Cb 0.00 -0.56 -0.11 0.00 -1.54 0.00 0.00 41.25 39.04 1afu s ASN 113 CO 0.00 -0.33 1.35 -0.81 -3.04 0.00 0.00 177.10 174.28 1afu n PRO 114 N 5.07 2.23 -2.39 0.43 -0.04 -1.26 -5.10 135.00 133.94 1afu n PRO 114 Ca -0.08 0.79 -0.40 0.00 -0.04 0.00 0.00 63.50 63.77 1afu n PRO 114 Cb 0.47 -2.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.43 1afu n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1afu s TYR 115 N -1.14 2.10 0.30 0.54 5.04 -0.79 -4.87 117.35 118.53 1afu s TYR 115 Ca 0.57 0.16 0.02 0.00 -2.44 0.00 0.00 57.07 55.39 1afu s TYR 115 Cb -0.51 -4.47 -0.04 0.00 0.35 0.00 0.00 41.96 37.29 1afu s TYR 115 CO 0.61 -2.13 0.12 0.14 -1.34 0.00 0.00 175.55 172.95 1afu s VAL 116 N 6.76 0.54 0.26 3.14 -7.23 -1.05 -4.83 120.40 117.99 1afu s VAL 116 Ca 0.46 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.33 1afu s VAL 116 Cb -0.09 -2.58 -0.10 0.00 0.56 0.00 0.00 36.38 34.18 1afu s VAL 116 CO 0.15 0.00 1.41 -2.84 -0.31 0.00 0.00 175.10 173.51 1afu s PRO 117 N -3.90 4.29 0.00 4.82 0.02 -1.26 -1.45 135.00 137.52 1afu s PRO 117 Ca 0.35 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.64 1afu s PRO 117 Cb 0.06 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.47 1afu s PRO 117 CO 0.15 -0.37 0.04 1.33 -0.33 0.00 0.00 177.00 177.82 1afu n VAL 118 N 2.09 0.00 -3.71 3.83 0.24 0.95 -4.56 118.33 117.18 1afu n VAL 118 Ca 0.06 -0.33 -0.13 0.00 -2.04 0.00 0.00 64.34 61.89 1afu n VAL 118 Cb 0.41 1.05 -0.09 0.00 -1.47 0.00 0.00 33.84 33.73 1afu n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1afu s HIS 119 N -0.57 -0.48 -0.25 6.34 5.65 -1.14 -4.64 115.29 120.20 1afu s HIS 119 Ca 0.00 1.14 -0.14 0.00 0.25 0.00 0.00 55.06 56.31 1afu s HIS 119 Cb 0.00 0.18 -0.04 0.00 -1.18 0.00 0.00 32.58 31.54 1afu s HIS 119 CO 0.00 -0.27 0.35 0.12 -0.65 0.00 0.00 174.74 174.28 1afu s PHE 120 N 0.04 3.29 -0.23 3.88 2.19 -1.26 -0.95 117.98 124.92 1afu s PHE 120 Ca -0.02 0.43 -0.14 0.00 0.33 0.00 0.00 56.93 57.53 1afu s PHE 120 Cb -0.03 -2.52 -0.17 0.00 -1.31 0.00 0.00 43.02 38.99 1afu s PHE 120 CO 0.01 -0.14 -0.06 -3.47 1.83 0.00 0.00 175.22 173.40 1afu n ASP 121 N 4.98 1.95 -3.60 6.13 2.03 0.13 -4.94 116.55 123.23 1afu n ASP 121 Ca -0.09 0.29 -0.03 0.00 0.52 0.00 0.00 54.79 55.48 1afu n ASP 121 Cb 0.51 -0.83 -0.02 0.00 -0.72 0.00 0.00 41.12 40.07 1afu n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1afu s ALA 122 N -2.47 -2.08 0.06 -1.67 0.00 -1.09 -4.96 121.76 109.55 1afu s ALA 122 Ca -0.33 1.35 0.07 0.00 0.00 0.00 0.00 51.96 53.05 1afu s ALA 122 Cb 0.10 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1afu s ALA 122 CO 0.57 -0.70 -0.17 -1.54 0.00 0.00 0.00 175.76 173.92 1afu s SER 123 N -2.38 3.93 0.00 0.00 1.04 -1.26 -0.07 113.70 114.95 1afu s SER 123 Ca 0.10 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1afu s SER 123 Cb 0.00 -0.65 0.00 0.00 0.10 0.00 0.00 66.02 65.48 1afu s SER 123 CO -0.05 0.23 0.20 0.52 0.98 0.00 0.00 173.24 175.13