#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ymn s GLU 2 N 0.00 4.30 0.72 -1.58 2.12 -1.26 -4.99 118.70 118.01 1ymn s GLU 2 Ca 0.00 2.18 -0.11 0.00 0.36 0.00 0.00 54.97 57.40 1ymn s GLU 2 Cb 0.00 -3.18 0.02 0.00 0.26 0.00 0.00 34.13 31.23 1ymn s GLU 2 CO 0.00 -0.43 1.07 0.95 -0.54 0.00 0.00 175.26 176.31 1ymn s THR 3 N 0.63 3.79 0.31 -1.70 -4.23 -1.26 -4.86 115.64 108.32 1ymn s THR 3 Ca 0.63 0.58 0.00 0.00 -1.18 0.00 0.00 61.69 61.72 1ymn s THR 3 Cb -0.39 -3.34 0.18 0.00 1.34 0.00 0.00 72.50 70.29 1ymn s THR 3 CO 0.35 -0.76 1.88 0.00 -0.54 0.00 0.00 174.62 175.55 1ymn h ALA 4 N -0.80 1.32 -0.61 3.99 0.00 -1.94 -0.86 119.26 120.36 1ymn h ALA 4 Ca -0.45 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.23 1ymn h ALA 4 Cb 1.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1ymn h ALA 4 CO 0.58 0.50 0.09 0.00 0.00 0.00 0.00 179.25 180.42 1ymn h ALA 5 N 1.44 0.82 -0.38 0.00 0.00 -1.86 -0.68 119.26 118.60 1ymn h ALA 5 Ca 0.18 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1ymn h ALA 5 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ymn h ALA 5 CO -0.01 0.58 -0.32 0.00 0.00 0.00 0.00 179.25 179.50 1ymn h ALA 6 N 1.02 0.72 -0.55 0.00 0.00 -1.80 -2.25 119.26 116.40 1ymn h ALA 6 Ca 0.19 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1ymn h ALA 6 Cb 0.44 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1ymn h ALA 6 CO 0.01 0.66 0.03 -0.22 0.00 0.00 0.00 179.25 179.73 1ymn h LYS 7 N 0.70 0.93 -0.50 0.00 3.64 -0.99 -1.63 116.57 118.72 1ymn h LYS 7 Ca 0.07 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1ymn h LYS 7 Cb 0.88 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1ymn h LYS 7 CO 0.08 0.90 0.29 0.35 -2.27 0.00 0.00 179.45 178.81 1ymn h PHE 8 N 0.86 0.67 -0.03 1.91 3.04 -0.88 -0.11 116.94 122.40 1ymn h PHE 8 Ca 0.17 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1ymn h PHE 8 Cb 0.47 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.76 1ymn h PHE 8 CO 0.03 0.48 0.00 0.93 -2.02 0.00 0.00 178.31 177.73 1ymn h GLU 9 N 0.67 0.02 -0.78 1.11 5.08 -1.06 0.05 114.58 119.67 1ymn h GLU 9 Ca 0.18 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1ymn h GLU 9 Cb 0.01 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1ymn h GLU 9 CO -0.03 0.01 0.43 -0.09 -1.00 0.00 0.00 179.01 178.33 1ymn h ARG 10 N 0.02 1.08 0.00 2.33 2.43 -1.10 -1.76 114.38 117.37 1ymn h ARG 10 Ca 0.01 -0.12 -0.17 0.00 -0.81 0.00 0.00 59.98 58.90 1ymn h ARG 10 Cb 0.01 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1ymn h ARG 10 CO -0.02 0.79 -0.84 1.96 -1.51 0.00 0.00 179.97 180.35 1ymn h GLN 11 N 1.07 0.00 0.00 0.20 4.20 -0.91 -3.41 115.11 116.26 1ymn h GLN 11 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1ymn h GLN 11 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1ymn h GLN 11 CO -0.05 0.73 -0.06 0.72 -0.67 0.00 0.00 178.83 179.50 1ymn n HIS 12 N -3.26 0.00 -3.52 2.96 8.25 -0.01 -4.67 115.22 114.97 1ymn n HIS 12 Ca -0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1ymn n HIS 12 Cb 0.85 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.90 1ymn n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1ymn s MET 13 N -0.93 4.15 -0.41 -0.41 -1.94 -0.67 0.17 119.30 119.25 1ymn s MET 13 Ca 0.00 0.19 0.04 0.00 -1.71 0.00 0.00 55.69 54.21 1ymn s MET 13 Cb 0.00 -3.37 0.17 0.00 2.01 0.00 0.00 34.83 33.63 1ymn s MET 13 CO 0.00 0.35 0.33 0.34 -0.01 0.00 0.00 175.02 176.03 1ymn s ASP 14 N 0.10 1.51 0.00 3.03 -1.08 -0.11 -4.83 116.67 115.29 1ymn s ASP 14 Ca 0.19 -2.93 0.22 0.00 -0.52 0.00 0.00 52.55 49.52 1ymn s ASP 14 Cb -0.14 -0.37 0.98 0.00 -1.46 0.00 0.00 42.92 41.94 1ymn s ASP 14 CO 0.07 -0.18 1.68 -1.20 0.52 0.00 0.00 175.17 176.05 1ymn n SER 15 N 2.99 1.10 0.01 -0.34 7.64 -1.26 -3.82 113.62 119.94 1ymn n SER 15 Ca 0.27 -1.54 0.11 0.00 1.01 0.00 0.00 58.87 58.72 1ymn n SER 15 Cb 0.47 -0.05 -0.09 0.00 -1.01 0.00 0.00 64.21 63.52 1ymn n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ymn n SER 16 N -0.08 0.54 -4.22 6.43 3.41 -1.26 -4.86 113.62 113.58 1ymn n SER 16 Ca 0.17 -0.41 -0.23 0.00 -0.26 0.00 0.00 58.87 58.14 1ymn n SER 16 Cb 0.25 1.28 -0.13 0.00 -0.26 0.00 0.00 64.21 65.35 1ymn n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ymn s THR 17 N -3.24 1.47 -0.69 6.66 -4.23 -1.26 -5.03 115.64 109.32 1ymn s THR 17 Ca 0.01 -1.25 0.26 0.00 -1.18 0.00 0.00 61.69 59.53 1ymn s THR 17 Cb 0.15 -1.32 0.29 0.00 1.34 0.00 0.00 72.50 72.96 1ymn s THR 17 CO 0.86 0.03 1.76 0.77 -0.54 0.00 0.00 174.62 177.51 1ymn h SER 18 N 4.61 0.00 -5.31 3.99 4.64 -1.89 -3.44 113.55 116.16 1ymn h SER 18 Ca -0.42 0.00 0.33 0.00 -0.47 0.00 0.00 61.79 61.22 1ymn h SER 18 Cb 1.17 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.12 1ymn h SER 18 CO 0.42 0.00 0.87 0.00 -0.87 0.00 0.00 176.83 177.26 1ymn s ALA 19 N -3.12 -2.25 0.05 5.18 0.00 -1.26 -4.85 121.76 115.50 1ymn s ALA 19 Ca 0.10 1.07 -0.31 0.00 0.00 0.00 0.00 51.96 52.82 1ymn s ALA 19 Cb 0.12 0.15 -0.07 0.00 0.00 0.00 0.00 23.12 23.31 1ymn s ALA 19 CO 0.59 -0.91 1.57 0.00 0.00 0.00 0.00 175.76 177.02 1ymn s ALA 20 N -2.30 3.65 -0.97 0.00 0.00 -1.26 -4.90 121.76 115.98 1ymn s ALA 20 Ca 0.13 1.10 0.23 0.00 0.00 0.00 0.00 51.96 53.43 1ymn s ALA 20 Cb 0.04 -3.66 0.20 0.00 0.00 0.00 0.00 23.12 19.70 1ymn s ALA 20 CO -0.04 -1.03 1.20 0.43 0.00 0.00 0.00 175.76 176.31 1ymn n SER 21 N 5.48 0.69 -3.79 0.00 7.64 -1.26 -4.97 113.62 117.40 1ymn n SER 21 Ca 0.15 -0.52 -0.10 0.00 1.01 0.00 0.00 58.87 59.42 1ymn n SER 21 Cb 0.41 0.56 -0.05 0.00 -1.01 0.00 0.00 64.21 64.13 1ymn n SER 21 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ymn s SER 22 N -3.08 -0.15 0.33 6.43 1.04 -1.26 -5.02 113.70 112.00 1ymn s SER 22 Ca 0.09 -0.57 0.25 0.00 0.48 0.00 0.00 55.95 56.20 1ymn s SER 22 Cb 0.17 0.51 1.17 0.00 0.10 0.00 0.00 66.02 67.97 1ymn s SER 22 CO 0.77 -0.96 1.76 0.77 0.98 0.00 0.00 173.24 176.56 1ymn h SER 23 N 2.35 0.00 0.15 7.02 4.64 -1.94 -2.24 113.55 123.53 1ymn h SER 23 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1ymn h SER 23 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1ymn h SER 23 CO 0.43 0.00 -0.09 -3.20 -0.87 0.00 0.00 176.83 173.10 1ymn n ASN 24 N -2.38 0.88 -0.10 4.97 4.05 -1.26 -4.35 115.26 117.07 1ymn n ASN 24 Ca 0.00 -1.02 -0.08 0.00 0.45 0.00 0.00 54.58 53.93 1ymn n ASN 24 Cb 0.16 0.01 -0.01 0.00 1.23 0.00 0.00 39.78 41.16 1ymn n ASN 24 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 1ymn h TYR 25 N 1.24 -0.82 -0.55 1.20 3.20 -1.81 -2.51 116.97 116.92 1ymn h TYR 25 Ca 0.00 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 1ymn h TYR 25 Cb 0.39 0.41 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 1ymn h TYR 25 CO 0.00 -0.36 0.34 0.00 -1.64 0.00 0.00 178.16 176.50 1ymn h ASN 27 N 0.74 0.41 0.00 0.00 2.35 -1.75 -0.10 115.58 117.24 1ymn h ASN 27 Ca 0.20 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1ymn h ASN 27 Cb -0.03 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1ymn h ASN 27 CO -0.04 0.24 -0.00 -0.61 -1.65 0.00 0.00 177.43 175.37 1ymn h GLN 28 N 0.56 -0.00 -0.77 0.81 4.15 -1.11 -3.20 115.11 115.54 1ymn h GLN 28 Ca 0.32 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.71 1ymn h GLN 28 Cb 0.33 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 1ymn h GLN 28 CO -0.26 0.53 0.36 0.52 -1.93 0.00 0.00 178.83 178.06 1ymn h MET 29 N -0.54 1.12 -0.58 1.69 2.86 -0.69 0.32 114.93 119.12 1ymn h MET 29 Ca -0.00 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1ymn h MET 29 Cb 0.54 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 1ymn h MET 29 CO 0.00 0.88 0.36 0.52 1.06 0.00 0.00 176.91 179.74 1ymn h MET 30 N 1.10 0.77 0.10 1.72 2.86 -1.12 -0.80 114.93 119.56 1ymn h MET 30 Ca 0.26 -0.06 -0.20 0.00 -2.06 0.00 0.00 59.70 57.65 1ymn h MET 30 Cb 0.14 -0.17 0.02 0.00 0.06 0.00 0.00 31.60 31.65 1ymn h MET 30 CO -0.03 0.53 -0.84 -0.22 1.06 0.00 0.00 176.91 177.41 1ymn h LYS 31 N 0.79 0.39 0.00 1.72 3.64 -1.44 0.90 116.57 122.56 1ymn h LYS 31 Ca 0.21 -0.55 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 1ymn h LYS 31 Cb -0.06 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1ymn h LYS 31 CO -0.04 1.23 -0.03 0.77 -2.27 0.00 0.00 179.45 179.10 1ymn h SER 32 N -0.18 0.00 -0.67 4.20 0.02 -0.59 -1.27 113.55 115.06 1ymn h SER 32 Ca -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1ymn h SER 32 Cb 1.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.14 1ymn h SER 32 CO 0.16 0.03 0.00 0.54 -1.14 0.00 0.00 176.83 176.42 1ymn n ARG 33 N -4.14 3.64 -3.67 3.45 5.12 -0.34 -4.97 116.66 115.76 1ymn n ARG 33 Ca -0.03 -2.88 -0.23 0.00 -1.93 0.00 0.00 57.85 52.78 1ymn n ARG 33 Cb 0.12 -1.86 0.06 0.00 -1.16 0.00 0.00 32.46 29.61 1ymn n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1ymn n ASN 34 N 1.21 -3.67 -1.26 0.55 3.02 -0.48 -4.84 115.26 109.79 1ymn n ASN 34 Ca 0.26 -0.69 0.09 0.00 -0.03 0.00 0.00 54.58 54.21 1ymn n ASN 34 Cb 0.87 -4.52 0.30 0.00 -0.61 0.00 0.00 39.78 35.81 1ymn n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ymn n LEU 35 N -4.54 4.18 -1.02 3.41 4.77 0.31 -4.37 117.00 119.73 1ymn n LEU 35 Ca -0.13 -2.39 0.02 0.00 -0.03 0.00 0.00 56.01 53.48 1ymn n LEU 35 Cb 0.61 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1ymn n LEU 35 CO 0.68 0.79 0.16 0.35 -1.33 0.00 0.00 177.39 178.04 1ymn n THR 36 N 0.81 0.10 0.41 -5.08 -2.24 -1.25 -1.67 114.28 105.37 1ymn n THR 36 Ca 0.22 -0.66 -0.17 0.00 -2.27 0.00 0.00 64.05 61.17 1ymn n THR 36 Cb 0.77 0.73 -0.09 0.00 -2.10 0.00 0.00 70.33 69.64 1ymn n THR 36 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1ymn h LYS 37 N 0.55 -1.02 0.00 -0.78 2.10 -1.92 -3.37 116.57 112.13 1ymn h LYS 37 Ca -0.12 0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1ymn h LYS 37 Cb 1.64 0.23 0.00 0.00 -0.90 0.00 0.00 32.23 33.20 1ymn h LYS 37 CO 0.05 -0.67 0.00 -0.25 -2.00 0.00 0.00 179.45 176.59 1ymn n ASP 38 N -5.50 1.52 -3.63 7.07 8.00 -1.26 -5.01 116.55 117.73 1ymn n ASP 38 Ca -0.14 -1.53 -0.08 0.00 0.71 0.00 0.00 54.79 53.75 1ymn n ASP 38 Cb 0.43 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.46 1ymn n ASP 38 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1ymn s ARG 39 N -0.53 0.40 -0.30 -1.24 3.52 -1.26 -5.11 118.95 114.43 1ymn s ARG 39 Ca 0.00 0.42 -0.29 0.00 -0.13 0.00 0.00 55.73 55.73 1ymn s ARG 39 Cb 0.00 0.20 0.01 0.00 -1.56 0.00 0.00 34.95 33.60 1ymn s ARG 39 CO 0.00 -0.06 1.14 0.00 -0.81 0.00 0.00 175.30 175.57 1ymn s LYS 41 N 3.73 4.18 0.23 0.00 2.20 -0.67 -4.89 119.74 124.53 1ymn s LYS 41 Ca 0.49 2.38 -0.04 0.00 -0.36 0.00 0.00 55.97 58.43 1ymn s LYS 41 Cb -0.14 -3.76 0.25 0.00 -1.51 0.00 0.00 37.83 32.67 1ymn s LYS 41 CO 0.17 -0.80 1.73 -1.00 -0.36 0.00 0.00 175.35 175.08 1ymn h PRO 42 N 8.93 0.91 -3.65 4.03 0.13 -1.93 -3.43 132.00 137.00 1ymn h PRO 42 Ca -0.43 -0.25 -0.19 0.00 -0.87 0.00 0.00 66.00 64.26 1ymn h PRO 42 Cb 1.20 -0.11 -0.25 0.00 0.13 0.00 0.00 31.00 31.98 1ymn h PRO 42 CO 0.94 0.88 -0.63 0.54 -0.23 0.00 0.00 178.00 179.51 1ymn s VAL 43 N -5.06 0.04 0.01 1.56 0.11 -1.26 -0.64 120.40 115.17 1ymn s VAL 43 Ca -0.10 -0.33 -0.27 0.00 -2.93 0.00 0.00 61.98 58.35 1ymn s VAL 43 Cb 0.14 -0.20 0.06 0.00 -1.53 0.00 0.00 36.38 34.86 1ymn s VAL 43 CO 0.83 -0.18 0.62 0.21 -3.33 0.00 0.00 175.10 173.24 1ymn s ASN 44 N -0.55 -0.58 -0.04 3.54 2.47 -0.22 -5.01 114.94 114.56 1ymn s ASN 44 Ca -0.06 0.44 0.05 0.00 0.42 0.00 0.00 52.86 53.70 1ymn s ASN 44 Cb -0.04 0.53 -0.01 0.00 -1.45 0.00 0.00 41.25 40.29 1ymn s ASN 44 CO 0.00 -0.70 -0.18 -0.89 -3.72 0.00 0.00 177.10 171.61 1ymn s THR 45 N -1.96 1.51 -0.07 -5.21 2.01 -1.26 -0.29 115.64 110.36 1ymn s THR 45 Ca -0.08 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.17 1ymn s THR 45 Cb -0.01 -1.28 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 1ymn s THR 45 CO 0.03 0.43 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.91 1ymn s PHE 46 N -0.08 2.79 -0.23 4.92 0.08 -0.06 -4.34 117.98 121.06 1ymn s PHE 46 Ca -0.02 -0.21 -0.06 0.00 0.12 0.00 0.00 56.93 56.76 1ymn s PHE 46 Cb -0.11 -1.70 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 1ymn s PHE 46 CO 0.02 0.14 0.04 0.08 -0.10 0.00 0.00 175.22 175.39 1ymn s VAL 47 N -0.50 4.11 -1.22 -0.44 1.01 0.13 -0.79 120.40 122.70 1ymn s VAL 47 Ca 0.07 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 1ymn s VAL 47 Cb -0.12 -2.90 0.21 0.00 0.00 0.00 0.00 36.38 33.57 1ymn s VAL 47 CO 0.02 0.38 1.71 1.41 0.00 0.00 0.00 175.10 178.62 1ymn n HIS 48 N 4.68 3.04 -3.99 5.22 -0.00 0.59 -0.93 115.22 123.83 1ymn n HIS 48 Ca -0.17 -2.83 -0.10 0.00 -0.00 0.00 0.00 57.72 54.63 1ymn n HIS 48 Cb 0.51 -1.79 -0.06 0.00 -0.00 0.00 0.00 29.99 28.65 1ymn n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1ymn s GLU 49 N -0.34 1.34 0.72 -0.41 0.41 -1.25 -4.40 118.70 114.78 1ymn s GLU 49 Ca 0.37 -1.24 -0.14 0.00 -0.41 0.00 0.00 54.97 53.56 1ymn s GLU 49 Cb 0.07 0.41 0.03 0.00 -1.78 0.00 0.00 34.13 32.86 1ymn s GLU 49 CO 0.03 -0.52 1.14 -1.54 -0.49 0.00 0.00 175.26 173.87 1ymn s SER 50 N -3.01 4.57 0.26 -0.19 1.04 -1.26 -3.98 113.70 111.13 1ymn s SER 50 Ca 0.21 2.09 -0.05 0.00 0.48 0.00 0.00 55.95 58.68 1ymn s SER 50 Cb 0.02 -2.56 0.30 0.00 0.10 0.00 0.00 66.02 63.87 1ymn s SER 50 CO 0.05 -2.00 1.87 0.25 0.98 0.00 0.00 173.24 174.40 1ymn h LEU 51 N -0.41 1.03 -0.48 2.42 5.85 -1.97 -2.39 115.31 119.36 1ymn h LEU 51 Ca -0.46 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.21 1ymn h LEU 51 Cb 1.26 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.98 1ymn h LEU 51 CO 0.51 0.84 0.22 0.00 -0.34 0.00 0.00 178.44 179.67 1ymn h ALA 52 N 1.33 0.60 -0.93 1.25 0.00 -1.99 0.12 119.26 119.64 1ymn h ALA 52 Ca 0.29 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1ymn h ALA 52 Cb 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1ymn h ALA 52 CO -0.04 -0.14 0.58 -0.44 0.00 0.00 0.00 179.25 179.21 1ymn h ASP 53 N 0.44 1.09 -0.08 0.00 5.19 -1.80 -0.64 116.42 120.62 1ymn h ASP 53 Ca 0.21 -0.05 -0.22 0.00 -0.62 0.00 0.00 57.03 56.36 1ymn h ASP 53 Cb 0.15 -0.27 0.01 0.00 0.18 0.00 0.00 39.33 39.40 1ymn h ASP 53 CO -0.17 0.82 -0.76 0.58 -3.12 0.00 0.00 179.24 176.59 1ymn h VAL 54 N 1.27 1.29 -0.40 -1.35 2.07 -1.11 -3.14 116.25 114.88 1ymn h VAL 54 Ca 0.34 -1.99 -0.05 0.00 0.82 0.00 0.00 66.70 65.81 1ymn h VAL 54 Cb -0.09 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1ymn h VAL 54 CO -0.07 0.63 0.04 1.56 0.02 0.00 0.00 177.57 179.75 1ymn h GLN 55 N 0.50 0.61 0.00 1.57 4.20 -0.45 -2.45 115.11 119.10 1ymn h GLN 55 Ca -0.05 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 1ymn h GLN 55 Cb 1.38 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 29.07 1ymn h GLN 55 CO 0.15 0.61 -0.03 0.00 -0.67 0.00 0.00 178.83 178.89 1ymn h ALA 56 N 1.46 1.19 -0.04 3.87 0.00 -1.07 -2.27 119.26 122.39 1ymn h ALA 56 Ca 0.13 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ymn h ALA 56 Cb 0.32 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ymn h ALA 56 CO 0.01 0.03 0.05 0.28 0.00 0.00 0.00 179.25 179.62 1ymn h VAL 57 N 0.00 0.60 0.00 0.00 2.07 -1.47 -1.53 116.25 115.91 1ymn h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ymn h VAL 57 Cb 0.13 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1ymn h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1ymn n SER 59 N -1.37 1.91 0.00 0.00 3.41 -0.58 -5.01 113.62 111.98 1ymn n SER 59 Ca 0.03 -2.85 0.00 0.00 -0.26 0.00 0.00 58.87 55.79 1ymn n SER 59 Cb 0.07 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1ymn n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ymn n GLN 60 N -1.15 0.30 -2.59 4.33 6.02 -0.40 -5.00 117.38 118.89 1ymn n GLN 60 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.69 1ymn n GLN 60 Cb 0.64 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.88 1ymn n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1ymn s LYS 61 N 3.98 3.85 -0.10 -1.09 2.47 -0.89 -4.89 119.74 123.07 1ymn s LYS 61 Ca 0.00 0.80 -0.30 0.00 -1.56 0.00 0.00 55.97 54.92 1ymn s LYS 61 Cb 0.00 -3.85 -0.03 0.00 -1.46 0.00 0.00 37.83 32.49 1ymn s LYS 61 CO 0.00 -1.21 1.31 1.21 0.16 0.00 0.00 175.35 176.82 1ymn s ASN 62 N 2.26 6.93 0.19 1.43 3.04 -1.26 -0.07 114.94 127.46 1ymn s ASN 62 Ca 0.48 1.83 0.06 0.00 0.04 0.00 0.00 52.86 55.27 1ymn s ASN 62 Cb -0.10 -2.55 -0.05 0.00 -1.54 0.00 0.00 41.25 37.02 1ymn s ASN 62 CO 0.26 -0.73 -0.10 0.68 -3.04 0.00 0.00 177.10 174.17 1ymn s VAL 63 N 3.10 1.40 0.50 -5.21 -7.23 -0.08 -4.93 120.40 107.96 1ymn s VAL 63 Ca 0.58 -2.12 -0.23 0.00 -1.81 0.00 0.00 61.98 58.40 1ymn s VAL 63 Cb -0.25 -2.04 -0.06 0.00 0.56 0.00 0.00 36.38 34.59 1ymn s VAL 63 CO 0.20 -0.60 1.32 0.00 -0.31 0.00 0.00 175.10 175.71 1ymn s ALA 64 N -3.18 2.95 0.15 1.32 0.00 -1.26 -3.96 121.76 117.78 1ymn s ALA 64 Ca 0.22 1.26 -0.02 0.00 0.00 0.00 0.00 51.96 53.41 1ymn s ALA 64 Cb 0.02 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 1ymn s ALA 64 CO 0.05 -1.15 0.35 0.00 0.00 0.00 0.00 175.76 175.01 1ymn h LYS 66 N 2.55 1.27 -0.04 0.00 1.57 -1.95 -1.73 116.57 118.24 1ymn h LYS 66 Ca -0.47 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1ymn h LYS 66 Cb 1.17 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1ymn h LYS 66 CO 0.71 0.84 0.00 0.27 -0.57 0.00 0.00 179.45 180.70 1ymn n ASN 67 N -4.39 0.24 0.00 0.86 0.23 -1.26 -4.90 115.26 106.05 1ymn n ASN 67 Ca 0.11 -1.83 0.00 0.00 -0.53 0.00 0.00 54.58 52.33 1ymn n ASN 67 Cb 0.02 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 1ymn n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ymn n GLY 68 N 0.66 1.31 3.81 4.83 0.00 -0.65 -5.02 105.19 110.13 1ymn n GLY 68 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1ymn n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ymn s GLN 69 N -0.10 2.12 -0.14 1.61 -0.21 -1.26 -4.84 119.66 116.83 1ymn s GLN 69 Ca 0.00 0.63 0.17 0.00 0.02 0.00 0.00 55.36 56.18 1ymn s GLN 69 Cb 0.00 -1.92 0.73 0.00 1.00 0.00 0.00 33.01 32.81 1ymn s GLN 69 CO 0.00 -1.59 1.64 0.25 -2.12 0.00 0.00 175.29 173.47 1ymn n THR 70 N -3.41 2.04 -1.21 -0.19 -2.24 -1.26 -3.49 114.28 104.53 1ymn n THR 70 Ca 0.07 -1.28 -0.09 0.00 -2.27 0.00 0.00 64.05 60.48 1ymn n THR 70 Cb 0.56 0.03 0.24 0.00 -2.10 0.00 0.00 70.33 69.06 1ymn n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1ymn n ASN 71 N 0.92 3.76 -4.86 3.42 6.94 -1.26 -4.92 115.26 119.26 1ymn n ASN 71 Ca 0.26 -3.46 -0.37 0.00 -0.02 0.00 0.00 54.58 50.99 1ymn n ASN 71 Cb 0.95 -0.72 -0.06 0.00 -2.36 0.00 0.00 39.78 37.59 1ymn n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ymn s TYR 73 N -0.92 0.87 -0.10 0.00 1.51 0.51 -0.90 117.35 118.32 1ymn s TYR 73 Ca 0.14 -0.17 -0.02 0.00 -1.01 0.00 0.00 57.07 56.01 1ymn s TYR 73 Cb -0.12 -0.57 -0.03 0.00 -0.11 0.00 0.00 41.96 41.13 1ymn s TYR 73 CO 0.04 -0.02 -0.00 -1.14 -1.11 0.00 0.00 175.55 173.31 1ymn s GLN 74 N -0.19 3.12 0.37 -0.62 0.74 0.90 -1.13 119.66 122.85 1ymn s GLN 74 Ca 0.03 -0.42 -0.26 0.00 0.05 0.00 0.00 55.36 54.76 1ymn s GLN 74 Cb -0.04 -2.82 -0.09 0.00 1.10 0.00 0.00 33.01 31.16 1ymn s GLN 74 CO -0.00 0.62 1.16 -1.54 -0.55 0.00 0.00 175.29 174.97 1ymn s SER 75 N -0.65 6.72 0.37 6.67 1.04 -0.25 -2.09 113.70 125.51 1ymn s SER 75 Ca 0.10 2.34 0.15 0.00 0.48 0.00 0.00 55.95 59.03 1ymn s SER 75 Cb -0.12 -2.62 0.73 0.00 0.10 0.00 0.00 66.02 64.11 1ymn s SER 75 CO 0.02 -0.54 1.80 1.88 0.98 0.00 0.00 173.24 177.38 1ymn h TYR 76 N 2.93 0.00 -2.38 5.02 0.05 -1.95 -3.43 116.97 117.21 1ymn h TYR 76 Ca -0.48 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 57.73 1ymn h TYR 76 Cb 1.23 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.87 1ymn h TYR 76 CO 0.56 0.39 -0.65 -1.12 -1.05 0.00 0.00 178.16 176.29 1ymn s SER 77 N -6.74 4.59 0.61 3.88 0.01 -1.26 -5.07 113.70 109.71 1ymn s SER 77 Ca -0.02 -0.59 -0.13 0.00 1.31 0.00 0.00 55.95 56.52 1ymn s SER 77 Cb 0.13 -0.88 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 1ymn s SER 77 CO 0.71 0.02 1.03 0.42 0.41 0.00 0.00 173.24 175.83 1ymn s THR 78 N -2.17 4.27 0.10 1.44 -4.23 -1.26 -4.38 115.64 109.42 1ymn s THR 78 Ca 0.30 0.90 0.03 0.00 -1.18 0.00 0.00 61.69 61.75 1ymn s THR 78 Cb -0.07 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 1ymn s THR 78 CO 0.19 -0.81 -0.09 -0.04 -0.54 0.00 0.00 174.62 173.34 1ymn s MET 79 N -4.60 0.87 -0.17 3.99 -1.94 0.61 -4.85 119.30 113.21 1ymn s MET 79 Ca 0.59 -1.24 -0.29 0.00 -1.71 0.00 0.00 55.69 53.03 1ymn s MET 79 Cb -0.13 -0.45 -0.01 0.00 2.01 0.00 0.00 34.83 36.26 1ymn s MET 79 CO 0.44 0.05 1.15 0.45 -0.01 0.00 0.00 175.02 177.10 1ymn s SER 80 N -2.71 7.05 0.08 3.03 0.15 -1.26 -1.40 113.70 118.64 1ymn s SER 80 Ca 0.09 1.58 0.03 0.00 0.70 0.00 0.00 55.95 58.34 1ymn s SER 80 Cb 0.00 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.73 1ymn s SER 80 CO -0.01 -0.67 -0.09 0.27 1.20 0.00 0.00 173.24 173.94 1ymn s ILE 81 N 3.05 0.78 -0.12 6.45 -4.36 0.25 -0.30 121.20 126.94 1ymn s ILE 81 Ca 0.50 -1.58 0.02 0.00 -0.26 0.00 0.00 60.65 59.33 1ymn s ILE 81 Cb -0.19 -1.26 0.01 0.00 1.25 0.00 0.00 42.46 42.27 1ymn s ILE 81 CO 0.13 -0.59 -0.17 -0.89 0.24 0.00 0.00 174.94 173.66 1ymn s THR 82 N -2.48 1.64 -0.05 8.37 2.01 0.03 -1.25 115.64 123.90 1ymn s THR 82 Ca 0.03 -0.72 -0.15 0.00 0.31 0.00 0.00 61.69 61.16 1ymn s THR 82 Cb -0.03 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 70.94 1ymn s THR 82 CO -0.01 0.47 0.41 -1.81 -0.69 0.00 0.00 174.62 172.99 1ymn s ASP 83 N 1.04 6.72 -0.12 3.53 1.01 0.62 -0.88 116.67 128.59 1ymn s ASP 83 Ca -0.05 0.86 0.02 0.00 0.71 0.00 0.00 52.55 54.09 1ymn s ASP 83 Cb -0.15 -2.25 0.01 0.00 1.01 0.00 0.00 42.92 41.55 1ymn s ASP 83 CO -0.03 0.21 -0.19 0.00 0.21 0.00 0.00 175.17 175.36 1ymn s ARG 85 N 0.86 0.48 0.30 0.00 3.52 -0.97 -1.05 118.95 122.10 1ymn s ARG 85 Ca -0.08 0.10 -0.29 0.00 -0.13 0.00 0.00 55.73 55.33 1ymn s ARG 85 Cb -0.15 -0.77 -0.13 0.00 -1.56 0.00 0.00 34.95 32.34 1ymn s ARG 85 CO -0.01 -0.23 1.27 -1.91 -0.81 0.00 0.00 175.30 173.61 1ymn n GLU 86 N 4.73 1.96 -1.39 5.12 2.13 0.19 -1.08 120.64 132.30 1ymn n GLU 86 Ca -0.14 0.69 -0.31 0.00 0.66 0.00 0.00 57.16 58.06 1ymn n GLU 86 Cb 0.50 -2.25 0.08 0.00 0.27 0.00 0.00 31.44 30.04 1ymn n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1ymn s THR 87 N -0.81 3.47 0.34 6.31 -4.23 -0.44 -4.83 115.64 115.45 1ymn s THR 87 Ca 0.59 0.48 0.29 0.00 -1.18 0.00 0.00 61.69 61.87 1ymn s THR 87 Cb -0.62 -3.08 0.31 0.00 1.34 0.00 0.00 72.50 70.46 1ymn s THR 87 CO 0.58 -0.62 2.04 1.23 -0.54 0.00 0.00 174.62 177.31 1ymn h GLY 88 N -1.03 0.00 0.40 3.99 0.00 -1.93 -2.93 103.07 101.56 1ymn h GLY 88 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1ymn h GLY 88 CO 0.54 0.00 -1.28 -1.14 0.00 0.00 0.00 176.54 174.66 1ymn n SER 89 N -3.46 0.52 -4.50 0.19 3.41 -1.26 -5.01 113.62 103.51 1ymn n SER 89 Ca -0.01 -0.20 -0.40 0.00 -0.26 0.00 0.00 58.87 58.00 1ymn n SER 89 Cb 0.27 1.11 0.02 0.00 -0.26 0.00 0.00 64.21 65.35 1ymn n SER 89 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ymn n SER 90 N -2.06 -0.40 -3.52 4.04 2.88 -1.11 -5.03 113.62 108.42 1ymn n SER 90 Ca 0.00 0.87 -0.15 0.00 -1.33 0.00 0.00 58.87 58.27 1ymn n SER 90 Cb 0.47 -1.20 -0.05 0.00 -0.75 0.00 0.00 64.21 62.68 1ymn n SER 90 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ymn s LYS 91 N -1.92 0.94 0.71 -1.46 -0.14 -1.26 -4.94 119.74 111.67 1ymn s LYS 91 Ca 0.66 0.10 -0.16 0.00 -1.36 0.00 0.00 55.97 55.21 1ymn s LYS 91 Cb -0.53 0.44 -0.01 0.00 -1.68 0.00 0.00 37.83 36.05 1ymn s LYS 91 CO 0.56 -0.32 0.86 1.28 -0.76 0.00 0.00 175.35 176.96 1ymn n LEU 92 N 0.63 2.84 0.08 3.17 4.77 -1.26 -3.16 117.00 124.07 1ymn n LEU 92 Ca -0.16 0.66 0.12 0.00 -0.03 0.00 0.00 56.01 56.60 1ymn n LEU 92 Cb 0.58 -1.36 0.14 0.00 -2.33 0.00 0.00 43.42 40.46 1ymn n LEU 92 CO 0.19 -2.30 0.32 -0.65 -1.33 0.00 0.00 177.39 173.63 1ymn h PRO 93 N -0.21 0.00 -4.14 3.23 0.11 -1.99 -3.47 132.00 125.53 1ymn h PRO 93 Ca -0.47 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 64.91 1ymn h PRO 93 Cb 1.34 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.33 1ymn h PRO 93 CO 0.46 0.00 2.19 0.27 -0.21 0.00 0.00 178.00 180.71 1ymn n ASN 94 N -2.27 4.80 -4.73 -2.05 6.94 -1.19 -5.00 115.26 111.75 1ymn n ASN 94 Ca 0.03 -3.00 -0.42 0.00 -0.02 0.00 0.00 54.58 51.17 1ymn n ASN 94 Cb 0.47 -1.57 -0.03 0.00 -2.36 0.00 0.00 39.78 36.29 1ymn n ASN 94 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ymn s ALA 96 N 0.59 2.78 0.09 0.00 0.00 -1.26 -4.85 121.76 119.11 1ymn s ALA 96 Ca 0.65 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.75 1ymn s ALA 96 Cb -0.43 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 1ymn s ALA 96 CO 0.37 0.42 -0.12 0.71 0.00 0.00 0.00 175.76 177.15 1ymn s TYR 97 N -0.29 1.17 -0.14 0.00 1.51 -1.26 -1.33 117.35 117.01 1ymn s TYR 97 Ca 0.03 -0.55 -0.14 0.00 -1.01 0.00 0.00 57.07 55.40 1ymn s TYR 97 Cb -0.13 -0.64 -0.05 0.00 -0.11 0.00 0.00 41.96 41.04 1ymn s TYR 97 CO 0.03 0.05 0.33 0.21 -1.11 0.00 0.00 175.55 175.06 1ymn s LYS 98 N -2.29 4.21 -0.18 -0.62 2.47 -0.24 -4.72 119.74 118.37 1ymn s LYS 98 Ca 0.02 0.18 -0.07 0.00 -1.56 0.00 0.00 55.97 54.54 1ymn s LYS 98 Cb -0.06 -3.40 -0.04 0.00 -1.46 0.00 0.00 37.83 32.87 1ymn s LYS 98 CO 0.02 0.28 0.06 0.99 0.16 0.00 0.00 175.35 176.86 1ymn s THR 99 N 0.30 4.74 -0.10 3.43 2.01 -1.26 -2.28 115.64 122.48 1ymn s THR 99 Ca 0.19 -0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.13 1ymn s THR 99 Cb -0.14 -3.14 0.03 0.00 0.01 0.00 0.00 72.50 69.26 1ymn s THR 99 CO 0.06 0.46 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.50 1ymn s THR 100 N 0.42 0.84 -0.15 -0.82 2.01 -0.49 -4.99 115.64 112.46 1ymn s THR 100 Ca 0.03 -0.17 -0.09 0.00 0.31 0.00 0.00 61.69 61.77 1ymn s THR 100 Cb -0.13 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 1ymn s THR 100 CO 0.00 0.33 0.16 -1.58 -0.69 0.00 0.00 174.62 172.84 1ymn s GLN 101 N 1.79 3.83 0.33 4.92 2.00 -1.26 -0.28 119.66 130.99 1ymn s GLN 101 Ca 0.05 -0.13 -0.16 0.00 -2.00 0.00 0.00 55.36 53.11 1ymn s GLN 101 Cb -0.12 -3.30 0.03 0.00 0.80 0.00 0.00 33.01 30.41 1ymn s GLN 101 CO -0.07 0.54 0.71 0.00 -0.50 0.00 0.00 175.29 175.97 1ymn s ALA 102 N -0.35 -0.77 -0.23 1.58 0.00 -0.38 -5.02 121.76 116.59 1ymn s ALA 102 Ca 0.12 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1ymn s ALA 102 Cb -0.12 0.81 0.06 0.00 0.00 0.00 0.00 23.12 23.87 1ymn s ALA 102 CO 0.02 -0.98 -0.07 -0.80 0.00 0.00 0.00 175.76 173.93 1ymn s ASN 103 N -3.02 3.88 0.13 0.00 0.01 -1.26 -0.59 114.94 114.09 1ymn s ASN 103 Ca 0.15 -1.17 -0.07 0.00 -0.71 0.00 0.00 52.86 51.07 1ymn s ASN 103 Cb -0.05 -1.24 -0.01 0.00 0.41 0.00 0.00 41.25 40.35 1ymn s ASN 103 CO 0.10 -0.21 0.21 -0.54 -1.51 0.00 0.00 177.10 175.14 1ymn s LYS 104 N 1.35 1.01 0.45 -0.60 1.02 -0.50 -4.78 119.74 117.70 1ymn s LYS 104 Ca -0.06 -1.17 -0.21 0.00 0.02 0.00 0.00 55.97 54.55 1ymn s LYS 104 Cb -0.19 0.34 -0.09 0.00 -0.52 0.00 0.00 37.83 37.37 1ymn s LYS 104 CO -0.06 -0.34 1.00 -1.01 -0.92 0.00 0.00 175.35 174.02 1ymn s HIS 105 N -3.95 3.17 0.18 3.18 3.76 -0.98 -0.28 115.29 120.37 1ymn s HIS 105 Ca 0.15 1.61 0.07 0.00 -0.15 0.00 0.00 55.06 56.74 1ymn s HIS 105 Cb 0.05 -2.99 -0.04 0.00 1.11 0.00 0.00 32.58 30.71 1ymn s HIS 105 CO -0.03 -0.50 0.01 0.96 -0.85 0.00 0.00 174.74 174.33 1ymn s ILE 106 N -2.00 3.77 -0.11 0.60 -4.36 -1.26 0.15 121.20 117.99 1ymn s ILE 106 Ca 0.64 -1.45 0.00 0.00 -0.26 0.00 0.00 60.65 59.58 1ymn s ILE 106 Cb -0.14 -2.91 0.02 0.00 1.25 0.00 0.00 42.46 40.67 1ymn s ILE 106 CO 0.18 -0.14 -0.09 -0.63 0.24 0.00 0.00 174.94 174.50 1ymn s ILE 107 N -1.80 1.10 0.13 8.37 1.01 0.49 -1.09 121.20 129.42 1ymn s ILE 107 Ca 0.28 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.62 1ymn s ILE 107 Cb -0.09 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 1ymn s ILE 107 CO 0.19 0.37 -0.11 0.68 0.00 0.00 0.00 174.94 176.07 1ymn s VAL 108 N 1.47 1.18 -0.13 2.92 -7.23 -0.28 -0.73 120.40 117.60 1ymn s VAL 108 Ca 0.01 -1.88 -0.08 0.00 -1.81 0.00 0.00 61.98 58.21 1ymn s VAL 108 Cb -0.13 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 1ymn s VAL 108 CO -0.06 -0.62 0.16 0.00 -0.31 0.00 0.00 175.10 174.27 1ymn s ALA 109 N -2.82 3.84 0.14 1.32 0.00 -0.13 -0.36 121.76 123.74 1ymn s ALA 109 Ca 0.12 -0.62 0.11 0.00 0.00 0.00 0.00 51.96 51.57 1ymn s ALA 109 Cb -0.01 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 1ymn s ALA 109 CO 0.01 0.54 -0.25 0.00 0.00 0.00 0.00 175.76 176.06 1ymn s GLU 111 N -2.16 1.14 0.32 0.00 2.02 -0.48 -4.83 118.70 114.72 1ymn s GLU 111 Ca 0.16 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.69 1ymn s GLU 111 Cb -0.10 0.50 0.00 0.00 0.10 0.00 0.00 34.13 34.63 1ymn s GLU 111 CO 0.07 -0.50 0.00 0.41 0.02 0.00 0.00 175.26 175.26 1ymn n GLY 112 N -0.34 -2.50 2.61 -1.39 0.00 -1.26 -2.18 105.19 100.13 1ymn n GLY 112 Ca -0.12 -1.72 -0.26 0.00 0.00 0.00 0.00 46.02 43.92 1ymn n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ymn s ASN 113 N -2.67 2.54 0.78 1.61 3.04 -1.26 -2.04 114.94 116.93 1ymn s ASN 113 Ca 0.00 -0.77 -0.14 0.00 0.04 0.00 0.00 52.86 51.99 1ymn s ASN 113 Cb 0.00 -0.16 0.06 0.00 -1.54 0.00 0.00 41.25 39.61 1ymn s ASN 113 CO 0.00 -0.37 1.22 -2.16 -3.04 0.00 0.00 177.10 172.75 1ymn s PRO 114 N 2.16 1.81 -0.77 0.43 0.04 -1.26 -5.08 135.00 132.34 1ymn s PRO 114 Ca 0.05 1.81 -0.25 0.00 0.04 0.00 0.00 61.00 62.64 1ymn s PRO 114 Cb -0.16 -1.79 0.04 0.00 0.04 0.00 0.00 34.50 32.63 1ymn s PRO 114 CO -0.19 -2.09 1.24 -0.47 0.04 0.00 0.00 177.00 175.53 1ymn s TYR 115 N -2.01 2.41 0.32 0.56 5.04 -0.87 -4.85 117.35 117.95 1ymn s TYR 115 Ca 0.75 -0.28 0.04 0.00 -2.44 0.00 0.00 57.07 55.13 1ymn s TYR 115 Cb -0.30 -4.57 -0.06 0.00 0.35 0.00 0.00 41.96 37.38 1ymn s TYR 115 CO 0.48 -1.97 0.05 0.14 -1.34 0.00 0.00 175.55 172.92 1ymn s VAL 116 N 5.25 1.22 0.19 3.14 -7.23 -0.93 -4.82 120.40 117.22 1ymn s VAL 116 Ca 0.34 -2.01 -0.31 0.00 -1.81 0.00 0.00 61.98 58.19 1ymn s VAL 116 Cb -0.08 -2.76 -0.10 0.00 0.56 0.00 0.00 36.38 34.00 1ymn s VAL 116 CO 0.10 -0.03 1.49 -2.84 -0.31 0.00 0.00 175.10 173.51 1ymn s PRO 117 N -3.88 4.25 0.00 4.82 0.02 -1.26 -1.38 135.00 137.57 1ymn s PRO 117 Ca 0.36 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.68 1ymn s PRO 117 Cb 0.08 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.46 1ymn s PRO 117 CO 0.15 -0.50 0.00 1.33 -0.33 0.00 0.00 177.00 177.65 1ymn n VAL 118 N 3.26 0.00 -3.70 3.83 0.24 0.22 -4.37 118.33 117.81 1ymn n VAL 118 Ca 0.10 -0.35 -0.13 0.00 -2.04 0.00 0.00 64.34 61.92 1ymn n VAL 118 Cb 0.40 0.88 -0.09 0.00 -1.47 0.00 0.00 33.84 33.55 1ymn n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1ymn s HIS 119 N -1.11 -0.55 -0.30 6.34 5.65 -1.16 -4.72 115.29 119.44 1ymn s HIS 119 Ca 0.00 1.35 -0.15 0.00 0.25 0.00 0.00 55.06 56.51 1ymn s HIS 119 Cb 0.00 0.19 -0.03 0.00 -1.18 0.00 0.00 32.58 31.56 1ymn s HIS 119 CO 0.00 -0.27 0.36 0.12 -0.65 0.00 0.00 174.74 174.30 1ymn s PHE 120 N 0.26 3.23 -0.22 3.88 5.36 -1.26 -0.96 117.98 128.28 1ymn s PHE 120 Ca -0.00 0.24 -0.14 0.00 -0.96 0.00 0.00 56.93 56.07 1ymn s PHE 120 Cb -0.03 -2.60 -0.18 0.00 -0.34 0.00 0.00 43.02 39.86 1ymn s PHE 120 CO 0.01 -0.30 0.04 -0.25 -1.46 0.00 0.00 175.22 173.26 1ymn n ASP 121 N 5.34 1.95 -3.68 6.13 8.00 0.10 -4.98 116.55 129.41 1ymn n ASP 121 Ca -0.09 0.30 -0.02 0.00 0.71 0.00 0.00 54.79 55.69 1ymn n ASP 121 Cb 0.50 -0.85 -0.01 0.00 -0.02 0.00 0.00 41.12 40.75 1ymn n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ymn s ALA 122 N -2.46 -1.86 0.02 2.24 0.00 -1.03 -5.01 121.76 113.66 1ymn s ALA 122 Ca -0.31 0.26 0.05 0.00 0.00 0.00 0.00 51.96 51.96 1ymn s ALA 122 Cb 0.09 0.57 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 1ymn s ALA 122 CO 0.60 -1.05 -0.16 -1.54 0.00 0.00 0.00 175.76 173.60 1ymn s SER 123 N -3.02 1.90 0.00 0.00 1.04 -1.26 -0.38 113.70 111.98 1ymn s SER 123 Ca 0.14 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1ymn s SER 123 Cb 0.01 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1ymn s SER 123 CO 0.01 0.14 0.40 0.52 0.98 0.00 0.00 173.24 175.28