#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3di7 s GLU 2 N 0.00 4.69 0.74 1.64 2.12 -1.26 -5.03 118.70 121.61 3di7 s GLU 2 Ca 0.00 1.69 -0.11 0.00 0.36 0.00 0.00 54.97 56.91 3di7 s GLU 2 Cb 0.00 -3.24 0.04 0.00 0.26 0.00 0.00 34.13 31.19 3di7 s GLU 2 CO 0.00 0.27 1.09 0.95 -0.54 0.00 0.00 175.26 177.02 3di7 s THR 3 N -0.93 3.47 0.25 -1.70 -4.23 -1.26 -4.84 115.64 106.40 3di7 s THR 3 Ca 0.45 0.51 -0.05 0.00 -1.18 0.00 0.00 61.69 61.41 3di7 s THR 3 Cb -0.29 -3.05 0.19 0.00 1.34 0.00 0.00 72.50 70.69 3di7 s THR 3 CO 0.37 -0.60 1.84 0.00 -0.54 0.00 0.00 174.62 175.69 3di7 h ALA 4 N -0.87 1.16 -0.50 3.99 0.00 -1.95 -1.28 119.26 119.82 3di7 h ALA 4 Ca -0.44 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.23 3di7 h ALA 4 Cb 1.23 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3di7 h ALA 4 CO 0.53 0.63 -0.00 0.00 0.00 0.00 0.00 179.25 180.40 3di7 h ALA 5 N 1.28 0.68 -0.41 0.00 0.00 -1.91 -1.73 119.26 117.17 3di7 h ALA 5 Ca 0.27 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3di7 h ALA 5 Cb 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3di7 h ALA 5 CO -0.03 0.49 -0.09 0.00 0.00 0.00 0.00 179.25 179.62 3di7 h ALA 6 N 0.93 1.07 -0.69 0.00 0.00 -1.84 -1.57 119.26 117.17 3di7 h ALA 6 Ca 0.14 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3di7 h ALA 6 Cb 0.52 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3di7 h ALA 6 CO 0.03 0.57 0.13 -0.22 0.00 0.00 0.00 179.25 179.76 3di7 h LYS 7 N 0.66 1.13 -0.69 0.00 3.64 -1.02 -0.81 116.57 119.48 3di7 h LYS 7 Ca 0.12 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.16 3di7 h LYS 7 Cb 0.54 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 3di7 h LYS 7 CO 0.03 1.02 0.25 0.35 -2.27 0.00 0.00 179.45 178.84 3di7 h PHE 8 N 1.06 1.07 -0.07 1.91 3.04 -1.00 -0.59 116.94 122.36 3di7 h PHE 8 Ca 0.21 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 62.07 3di7 h PHE 8 Cb 0.42 -0.32 -0.00 0.00 2.56 0.00 0.00 35.95 38.61 3di7 h PHE 8 CO 0.03 0.84 0.04 0.93 -2.02 0.00 0.00 178.31 178.14 3di7 h GLU 9 N 0.99 0.09 -0.60 1.11 5.08 -0.89 0.36 114.58 120.72 3di7 h GLU 9 Ca 0.23 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3di7 h GLU 9 Cb 0.24 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3di7 h GLU 9 CO -0.01 0.07 0.08 -0.09 -1.00 0.00 0.00 179.01 178.05 3di7 h ARG 10 N 0.08 0.98 0.06 2.33 2.43 -1.02 -1.84 114.38 117.40 3di7 h ARG 10 Ca 0.02 -0.26 -0.25 0.00 -0.81 0.00 0.00 59.98 58.68 3di7 h ARG 10 Cb -0.00 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3di7 h ARG 10 CO -0.01 0.92 -1.24 1.96 -1.51 0.00 0.00 179.97 180.10 3di7 h GLN 11 N 0.92 0.12 0.00 0.20 4.20 -1.00 -3.41 115.11 116.14 3di7 h GLN 11 Ca 0.18 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3di7 h GLN 11 Cb 0.43 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3di7 h GLN 11 CO 0.01 1.03 0.00 0.72 -0.67 0.00 0.00 178.83 179.93 3di7 n HIS 12 N -3.39 0.00 -4.15 2.96 8.25 0.11 -4.66 115.22 114.33 3di7 n HIS 12 Ca -0.07 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.05 3di7 n HIS 12 Cb 0.99 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.99 3di7 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3di7 s MET 13 N -0.54 3.81 -0.40 -0.41 -1.94 -0.70 0.37 119.30 119.49 3di7 s MET 13 Ca 0.00 -0.43 0.03 0.00 -1.71 0.00 0.00 55.69 53.58 3di7 s MET 13 Cb 0.00 -3.09 0.16 0.00 2.01 0.00 0.00 34.83 33.91 3di7 s MET 13 CO 0.00 0.21 0.31 0.34 -0.01 0.00 0.00 175.02 175.87 3di7 s ASP 14 N 0.49 1.74 0.00 3.03 2.15 -0.41 -4.85 116.67 118.82 3di7 s ASP 14 Ca 0.00 -2.87 0.31 0.00 0.43 0.00 0.00 52.55 50.42 3di7 s ASP 14 Cb -0.13 -0.42 1.65 0.00 -0.30 0.00 0.00 42.92 43.71 3di7 s ASP 14 CO 0.02 -0.20 2.11 -1.20 -0.17 0.00 0.00 175.17 175.73 3di7 n SER 15 N 3.11 0.01 0.12 -0.34 7.64 -1.26 -3.93 113.62 118.97 3di7 n SER 15 Ca 0.26 -0.44 0.13 0.00 1.01 0.00 0.00 58.87 59.83 3di7 n SER 15 Cb 0.46 -0.19 0.43 0.00 -1.01 0.00 0.00 64.21 63.89 3di7 n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3di7 h SER 16 N 0.02 0.00 -4.62 6.43 4.64 -1.93 -3.46 113.55 114.63 3di7 h SER 16 Ca 0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 3di7 h SER 16 Cb 0.19 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.10 3di7 h SER 16 CO 0.00 0.00 -0.73 0.42 -0.87 0.00 0.00 176.83 175.65 3di7 s THR 17 N -3.18 0.70 -0.54 2.95 -4.23 -1.25 -5.03 115.64 105.05 3di7 s THR 17 Ca 0.08 -1.46 0.24 0.00 -1.18 0.00 0.00 61.69 59.38 3di7 s THR 17 Cb 0.11 -1.11 0.32 0.00 1.34 0.00 0.00 72.50 73.17 3di7 s THR 17 CO 0.54 -0.56 1.67 0.77 -0.54 0.00 0.00 174.62 176.51 3di7 h SER 18 N 3.84 0.00 0.00 3.99 4.64 -1.88 -3.45 113.55 120.69 3di7 h SER 18 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3di7 h SER 18 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3di7 h SER 18 CO 0.50 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.46 3di7 n ALA 19 N -1.99 0.00 -1.69 5.18 0.00 -1.26 -4.85 120.51 115.90 3di7 n ALA 19 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.04 3di7 n ALA 19 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 3di7 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3di7 n ALA 20 N -0.11 2.02 0.22 0.00 0.00 -1.26 -4.90 120.51 116.48 3di7 n ALA 20 Ca 0.00 0.42 0.12 0.00 0.00 0.00 0.00 53.44 53.98 3di7 n ALA 20 Cb 0.00 -2.42 0.02 0.00 0.00 0.00 0.00 19.45 17.04 3di7 n ALA 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3di7 n SER 21 N 3.56 0.74 -3.53 0.00 2.88 -1.26 -5.00 113.62 111.01 3di7 n SER 21 Ca 0.16 0.21 -0.07 0.00 -1.33 0.00 0.00 58.87 57.84 3di7 n SER 21 Cb 0.32 0.55 -0.00 0.00 -0.75 0.00 0.00 64.21 64.33 3di7 n SER 21 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3di7 s SER 22 N -4.97 -0.15 0.38 -3.46 1.04 -1.26 -5.02 113.70 100.26 3di7 s SER 22 Ca 0.00 -0.75 0.27 0.00 0.48 0.00 0.00 55.95 55.96 3di7 s SER 22 Cb 0.11 0.72 1.28 0.00 0.10 0.00 0.00 66.02 68.23 3di7 s SER 22 CO 0.79 -1.38 1.83 0.77 0.98 0.00 0.00 173.24 176.23 3di7 h SER 23 N 2.00 0.00 -0.17 7.02 4.64 -1.94 -2.40 113.55 122.69 3di7 h SER 23 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3di7 h SER 23 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3di7 h SER 23 CO 0.29 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.84 3di7 n ASN 24 N -2.50 2.24 -0.07 4.97 5.03 -1.26 -4.41 115.26 119.26 3di7 n ASN 24 Ca 0.00 -1.78 -0.07 0.00 0.87 0.00 0.00 54.58 53.61 3di7 n ASN 24 Cb 0.17 -0.11 -0.01 0.00 -1.02 0.00 0.00 39.78 38.82 3di7 n ASN 24 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 3di7 h TYR 25 N 3.11 -0.10 -0.46 3.10 3.20 -1.82 -2.30 116.97 121.70 3di7 h TYR 25 Ca 0.00 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 3di7 h TYR 25 Cb 0.67 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 3di7 h TYR 25 CO 0.11 -0.10 0.16 0.00 -1.64 0.00 0.00 178.16 176.69 3di7 h ASN 27 N 0.60 0.43 -0.25 0.00 2.35 -1.74 0.19 115.58 117.17 3di7 h ASN 27 Ca 0.15 0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.88 3di7 h ASN 27 Cb 0.24 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3di7 h ASN 27 CO -0.01 0.26 -0.14 1.56 -1.65 0.00 0.00 177.43 177.46 3di7 h GLN 28 N 0.58 0.53 -0.07 0.81 4.20 -1.07 -2.92 115.11 117.16 3di7 h GLN 28 Ca 0.32 -0.24 -0.20 0.00 0.06 0.00 0.00 58.65 58.59 3di7 h GLN 28 Cb 0.30 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3di7 h GLN 28 CO -0.24 0.80 -0.79 0.52 -0.67 0.00 0.00 178.83 178.44 3di7 h MET 29 N 0.25 0.49 0.00 1.46 2.86 -0.69 -0.59 114.93 118.71 3di7 h MET 29 Ca 0.05 -0.43 -0.05 0.00 -2.06 0.00 0.00 59.70 57.22 3di7 h MET 29 Cb 0.65 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 3di7 h MET 29 CO 0.04 1.07 -0.22 0.52 1.06 0.00 0.00 176.91 179.38 3di7 h MET 30 N 0.32 0.00 0.13 1.72 2.86 -0.70 -0.79 114.93 118.47 3di7 h MET 30 Ca -0.05 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.40 3di7 h MET 30 Cb 1.39 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.07 3di7 h MET 30 CO 0.14 0.22 -0.87 -0.22 1.06 0.00 0.00 176.91 177.24 3di7 h LYS 31 N 0.00 0.28 0.00 1.72 3.64 -1.31 -0.02 116.57 120.88 3di7 h LYS 31 Ca -0.00 -0.47 -0.05 0.00 -1.27 0.00 0.00 60.65 58.85 3di7 h LYS 31 Cb 0.41 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 3di7 h LYS 31 CO 0.03 1.23 -0.25 0.66 -2.27 0.00 0.00 179.45 178.84 3di7 h SER 32 N -0.40 0.00 -0.36 4.20 4.64 -0.97 -1.94 113.55 118.73 3di7 h SER 32 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3di7 h SER 32 Cb 1.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 3di7 h SER 32 CO 0.13 0.25 0.00 0.54 -0.87 0.00 0.00 176.83 176.88 3di7 n ARG 33 N -3.45 1.92 -2.89 4.77 5.12 -0.32 -4.91 116.66 116.91 3di7 n ARG 33 Ca -0.00 -1.32 -0.19 0.00 -1.93 0.00 0.00 57.85 54.41 3di7 n ARG 33 Cb 0.43 -1.32 0.03 0.00 -1.16 0.00 0.00 32.46 30.44 3di7 n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3di7 n ASN 34 N 0.54 -5.47 -1.14 0.55 5.03 -0.73 -4.89 115.26 109.16 3di7 n ASN 34 Ca 0.12 -0.24 0.10 0.00 0.87 0.00 0.00 54.58 55.43 3di7 n ASN 34 Cb 0.34 -4.31 0.27 0.00 -1.02 0.00 0.00 39.78 35.06 3di7 n ASN 34 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3di7 n LEU 35 N -3.45 3.32 -0.02 3.41 4.77 -0.03 -3.99 117.00 121.02 3di7 n LEU 35 Ca -0.10 -1.66 0.00 0.00 -0.03 0.00 0.00 56.01 54.22 3di7 n LEU 35 Cb 0.61 -0.42 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3di7 n LEU 35 CO 0.40 0.80 0.39 0.35 -1.33 0.00 0.00 177.39 178.00 3di7 n THR 36 N 1.25 0.57 -0.01 -5.08 -2.24 -1.19 -2.03 114.28 105.55 3di7 n THR 36 Ca 0.20 -0.59 -0.01 0.00 -2.27 0.00 0.00 64.05 61.38 3di7 n THR 36 Cb 0.53 0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 69.44 3di7 n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3di7 h LYS 37 N 0.00 -0.04 0.00 -0.78 1.79 -1.89 -3.33 116.57 112.32 3di7 h LYS 37 Ca 0.00 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.23 3di7 h LYS 37 Cb 0.77 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.38 3di7 h LYS 37 CO 0.00 -0.03 -2.26 -0.25 -1.08 0.00 0.00 179.45 175.84 3di7 n ASP 38 N -2.95 0.02 -4.03 0.86 8.00 -1.26 -5.02 116.55 112.16 3di7 n ASP 38 Ca -0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 3di7 n ASP 38 Cb 0.03 1.33 -0.06 0.00 -0.02 0.00 0.00 41.12 42.40 3di7 n ASP 38 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3di7 s ARG 39 N -2.83 1.46 -0.26 -1.24 0.52 -1.25 -5.03 118.95 110.32 3di7 s ARG 39 Ca -0.09 -1.31 -0.19 0.00 -0.52 0.00 0.00 55.73 53.62 3di7 s ARG 39 Cb 0.09 0.43 -0.02 0.00 0.52 0.00 0.00 34.95 35.96 3di7 s ARG 39 CO 0.85 -0.58 0.56 0.00 0.02 0.00 0.00 175.30 176.15 3di7 s LYS 41 N 2.39 4.20 0.12 0.00 2.20 -0.86 -4.89 119.74 122.90 3di7 s LYS 41 Ca 0.23 2.38 -0.14 0.00 -0.36 0.00 0.00 55.97 58.08 3di7 s LYS 41 Cb -0.16 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 3di7 s LYS 41 CO 0.09 -0.64 1.50 -1.00 -0.36 0.00 0.00 175.35 174.94 3di7 h PRO 42 N 7.13 0.77 -4.01 4.03 0.13 -1.93 -3.44 132.00 134.67 3di7 h PRO 42 Ca -0.43 -0.33 -0.31 0.00 -0.87 0.00 0.00 66.00 64.07 3di7 h PRO 42 Cb 1.20 -0.03 -0.30 0.00 0.13 0.00 0.00 31.00 32.01 3di7 h PRO 42 CO 0.92 0.94 -0.74 0.08 -0.23 0.00 0.00 178.00 178.97 3di7 s VAL 43 N -4.65 0.25 -0.26 1.56 1.01 -1.26 -1.41 120.40 115.63 3di7 s VAL 43 Ca -0.12 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 3di7 s VAL 43 Cb 0.10 -0.25 0.08 0.00 0.00 0.00 0.00 36.38 36.30 3di7 s VAL 43 CO 0.82 0.10 0.65 0.21 0.00 0.00 0.00 175.10 176.88 3di7 s ASN 44 N 0.22 -0.86 -0.14 3.32 2.47 0.14 -5.01 114.94 115.09 3di7 s ASN 44 Ca -0.02 1.42 -0.05 0.00 0.42 0.00 0.00 52.86 54.63 3di7 s ASN 44 Cb -0.05 1.31 -0.04 0.00 -1.45 0.00 0.00 41.25 41.03 3di7 s ASN 44 CO -0.01 -0.23 0.02 -0.89 -3.72 0.00 0.00 177.10 172.28 3di7 s THR 45 N 1.43 4.47 -0.09 -5.21 2.01 -1.26 -0.96 115.64 116.03 3di7 s THR 45 Ca -0.09 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 3di7 s THR 45 Cb -0.05 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 3di7 s THR 45 CO -0.16 0.53 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.93 3di7 s PHE 46 N -0.14 3.13 -0.23 4.92 0.08 0.03 -4.37 117.98 121.39 3di7 s PHE 46 Ca 0.05 0.13 -0.07 0.00 0.12 0.00 0.00 56.93 57.17 3di7 s PHE 46 Cb -0.12 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.49 3di7 s PHE 46 CO 0.02 0.41 0.07 0.08 -0.10 0.00 0.00 175.22 175.69 3di7 s VAL 47 N -0.74 4.42 -1.08 -0.44 1.01 0.16 -0.99 120.40 122.74 3di7 s VAL 47 Ca 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 3di7 s VAL 47 Cb -0.12 -3.04 0.29 0.00 0.00 0.00 0.00 36.38 33.51 3di7 s VAL 47 CO 0.02 0.37 1.78 1.41 0.00 0.00 0.00 175.10 178.69 3di7 n HIS 48 N 4.54 2.60 -4.15 5.22 -0.00 0.10 -1.28 115.22 122.25 3di7 n HIS 48 Ca -0.16 -2.59 -0.11 0.00 -0.00 0.00 0.00 57.72 54.85 3di7 n HIS 48 Cb 0.52 -1.31 -0.09 0.00 -0.00 0.00 0.00 29.99 29.11 3di7 n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3di7 s GLU 49 N -3.40 1.29 0.71 -0.41 0.41 -1.26 -4.40 118.70 111.65 3di7 s GLU 49 Ca 0.38 -1.53 -0.14 0.00 -0.41 0.00 0.00 54.97 53.26 3di7 s GLU 49 Cb 0.14 0.32 0.03 0.00 -1.78 0.00 0.00 34.13 32.85 3di7 s GLU 49 CO -0.05 -0.46 1.16 -1.54 -0.49 0.00 0.00 175.26 173.88 3di7 s SER 50 N -3.12 4.51 0.28 -0.19 1.04 -1.26 -4.17 113.70 110.79 3di7 s SER 50 Ca 0.35 2.18 -0.03 0.00 0.48 0.00 0.00 55.95 58.92 3di7 s SER 50 Cb 0.05 -2.57 0.39 0.00 0.10 0.00 0.00 66.02 63.99 3di7 s SER 50 CO 0.11 -2.04 1.96 0.25 0.98 0.00 0.00 173.24 174.50 3di7 h LEU 51 N -0.29 1.01 -0.69 2.42 5.85 -1.97 -1.99 115.31 119.65 3di7 h LEU 51 Ca -0.47 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 3di7 h LEU 51 Cb 1.27 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 3di7 h LEU 51 CO 0.51 0.73 0.43 0.00 -0.34 0.00 0.00 178.44 179.77 3di7 h ALA 52 N 1.45 0.87 -0.46 1.25 0.00 -1.99 0.10 119.26 120.49 3di7 h ALA 52 Ca 0.32 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3di7 h ALA 52 Cb -0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 3di7 h ALA 52 CO -0.07 0.33 0.02 -0.44 0.00 0.00 0.00 179.25 179.10 3di7 h ASP 53 N 0.93 0.69 -0.34 0.00 5.19 -1.78 -0.90 116.42 120.22 3di7 h ASP 53 Ca 0.25 -0.15 -0.13 0.00 -0.62 0.00 0.00 57.03 56.38 3di7 h ASP 53 Cb -0.05 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.27 3di7 h ASP 53 CO -0.05 0.75 -0.29 0.00 -3.12 0.00 0.00 179.24 176.53 3di7 h ALA 54 N 1.34 0.49 -0.39 3.45 0.00 -0.83 -2.98 119.26 120.33 3di7 h ALA 54 Ca 0.14 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3di7 h ALA 54 Cb 0.39 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3di7 h ALA 54 CO 0.01 0.51 0.10 1.96 0.00 0.00 0.00 179.25 181.84 3di7 h GLN 55 N 0.57 0.57 0.00 0.00 4.20 -0.75 -2.14 115.11 117.56 3di7 h GLN 55 Ca 0.06 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3di7 h GLN 55 Cb 0.86 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.54 3di7 h GLN 55 CO 0.07 0.52 0.00 0.00 -0.67 0.00 0.00 178.83 178.76 3di7 h ALA 56 N 1.55 1.00 0.00 3.87 0.00 -1.01 -2.41 119.26 122.26 3di7 h ALA 56 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3di7 h ALA 56 Cb 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3di7 h ALA 56 CO -0.00 0.00 -0.05 0.28 0.00 0.00 0.00 179.25 179.48 3di7 h VAL 57 N 0.00 0.84 0.00 0.00 2.07 -1.38 -1.82 116.25 115.97 3di7 h VAL 57 Ca 0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3di7 h VAL 57 Cb 0.17 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3di7 h VAL 57 CO 0.00 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.64 3di7 n SER 59 N -1.47 2.63 0.00 0.00 3.41 -0.68 -5.01 113.62 112.50 3di7 n SER 59 Ca 0.02 -2.76 0.00 0.00 -0.26 0.00 0.00 58.87 55.87 3di7 n SER 59 Cb 0.07 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 3di7 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3di7 n GLN 60 N -0.90 0.94 -2.61 4.33 6.02 -0.14 -4.99 117.38 120.03 3di7 n GLN 60 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.69 3di7 n GLN 60 Cb 0.59 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.83 3di7 n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3di7 s LYS 61 N 4.28 3.98 -0.06 -1.09 2.47 -1.14 -4.88 119.74 123.30 3di7 s LYS 61 Ca 0.00 0.99 -0.30 0.00 -1.56 0.00 0.00 55.97 55.10 3di7 s LYS 61 Cb 0.00 -3.79 -0.04 0.00 -1.46 0.00 0.00 37.83 32.55 3di7 s LYS 61 CO 0.00 -1.02 1.31 1.21 0.16 0.00 0.00 175.35 177.00 3di7 s ASN 62 N 1.93 6.94 0.08 1.43 3.04 -1.26 -0.59 114.94 126.51 3di7 s ASN 62 Ca 0.47 1.91 0.00 0.00 0.04 0.00 0.00 52.86 55.28 3di7 s ASN 62 Cb -0.12 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 37.00 3di7 s ASN 62 CO 0.19 -0.69 -0.03 0.68 -3.04 0.00 0.00 177.10 174.22 3di7 s VAL 63 N 2.66 0.38 0.46 -5.21 -7.23 -0.04 -4.94 120.40 106.48 3di7 s VAL 63 Ca 0.59 -1.87 -0.22 0.00 -1.81 0.00 0.00 61.98 58.66 3di7 s VAL 63 Cb -0.27 -1.69 -0.08 0.00 0.56 0.00 0.00 36.38 34.91 3di7 s VAL 63 CO 0.22 -0.85 1.13 0.00 -0.31 0.00 0.00 175.10 175.29 3di7 s ALA 64 N -3.83 2.94 0.55 1.32 0.00 -1.26 -3.18 121.76 118.29 3di7 s ALA 64 Ca 0.12 0.85 -0.07 0.00 0.00 0.00 0.00 51.96 52.86 3di7 s ALA 64 Cb 0.07 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 3di7 s ALA 64 CO -0.06 -0.56 0.89 0.00 0.00 0.00 0.00 175.76 176.02 3di7 h LYS 66 N -0.03 0.52 0.00 0.00 1.57 -1.92 0.57 116.57 117.28 3di7 h LYS 66 Ca -0.46 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3di7 h LYS 66 Cb 1.21 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3di7 h LYS 66 CO 0.62 0.34 0.00 0.27 -0.57 0.00 0.00 179.45 180.11 3di7 n ASN 67 N -4.48 0.00 0.00 0.86 0.23 -1.26 -4.90 115.26 105.72 3di7 n ASN 67 Ca 0.09 -1.05 0.00 0.00 -0.53 0.00 0.00 54.58 53.08 3di7 n ASN 67 Cb 0.26 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 3di7 n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3di7 n GLY 68 N 0.86 0.87 3.76 4.83 0.00 0.19 -5.06 105.19 110.64 3di7 n GLY 68 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 3di7 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3di7 s GLN 69 N -0.65 2.06 -0.18 1.61 -0.21 -1.26 -4.73 119.66 116.29 3di7 s GLN 69 Ca 0.00 1.12 0.16 0.00 0.02 0.00 0.00 55.36 56.67 3di7 s GLN 69 Cb 0.00 -1.88 0.53 0.00 1.00 0.00 0.00 33.01 32.66 3di7 s GLN 69 CO 0.00 -1.77 1.42 0.25 -2.12 0.00 0.00 175.29 173.07 3di7 n THR 70 N -3.60 2.30 -1.36 -0.19 -2.24 -1.26 -1.07 114.28 106.86 3di7 n THR 70 Ca 0.09 -1.92 -0.19 0.00 -2.27 0.00 0.00 64.05 59.75 3di7 n THR 70 Cb 0.53 -0.26 0.16 0.00 -2.10 0.00 0.00 70.33 68.67 3di7 n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3di7 n ASN 71 N -0.55 3.94 -4.83 3.42 6.94 -1.26 -4.79 115.26 118.13 3di7 n ASN 71 Ca 0.22 -3.70 -0.30 0.00 -0.02 0.00 0.00 54.58 50.77 3di7 n ASN 71 Cb 0.90 -0.77 -0.05 0.00 -2.36 0.00 0.00 39.78 37.50 3di7 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3di7 s TYR 73 N -1.46 0.61 -0.18 0.00 1.51 0.41 -0.87 117.35 117.37 3di7 s TYR 73 Ca 0.31 -0.12 -0.04 0.00 -1.01 0.00 0.00 57.07 56.22 3di7 s TYR 73 Cb -0.12 -0.40 -0.02 0.00 -0.11 0.00 0.00 41.96 41.30 3di7 s TYR 73 CO 0.24 -0.02 -0.03 -1.14 -1.11 0.00 0.00 175.55 173.49 3di7 s GLN 74 N -0.09 3.58 0.30 -0.62 0.74 0.24 -1.32 119.66 122.50 3di7 s GLN 74 Ca 0.02 -0.55 -0.30 0.00 0.05 0.00 0.00 55.36 54.58 3di7 s GLN 74 Cb -0.03 -2.97 -0.12 0.00 1.10 0.00 0.00 33.01 30.99 3di7 s GLN 74 CO -0.00 0.08 1.56 -1.13 -0.55 0.00 0.00 175.29 175.25 3di7 n SER 75 N 4.01 3.73 0.06 6.67 3.41 -0.03 -2.89 113.62 128.58 3di7 n SER 75 Ca -0.17 1.16 0.01 0.00 -0.26 0.00 0.00 58.87 59.61 3di7 n SER 75 Cb 0.52 -1.58 0.35 0.00 -0.26 0.00 0.00 64.21 63.24 3di7 n SER 75 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3di7 h TYR 76 N 4.43 0.39 -2.02 7.33 0.05 -1.94 -3.43 116.97 121.78 3di7 h TYR 76 Ca -0.47 -0.04 -0.52 0.00 0.05 0.00 0.00 58.73 57.74 3di7 h TYR 76 Cb 1.23 -0.11 -0.06 0.00 1.01 0.00 0.00 36.73 38.80 3di7 h TYR 76 CO 0.57 0.44 -0.53 -1.54 -1.05 0.00 0.00 178.16 176.05 3di7 s SER 77 N -6.81 5.03 0.57 3.88 1.04 -1.26 -5.06 113.70 111.08 3di7 s SER 77 Ca -0.07 -0.54 -0.16 0.00 0.48 0.00 0.00 55.95 55.67 3di7 s SER 77 Cb 0.15 -1.00 -0.05 0.00 0.10 0.00 0.00 66.02 65.23 3di7 s SER 77 CO 0.75 -0.18 1.03 0.42 0.98 0.00 0.00 173.24 176.24 3di7 s THR 78 N -2.30 4.12 0.08 2.02 -4.23 -1.26 -4.46 115.64 109.61 3di7 s THR 78 Ca 0.36 0.99 0.04 0.00 -1.18 0.00 0.00 61.69 61.90 3di7 s THR 78 Cb -0.06 -3.53 -0.03 0.00 1.34 0.00 0.00 72.50 70.22 3di7 s THR 78 CO 0.24 -0.60 -0.10 -0.04 -0.54 0.00 0.00 174.62 173.57 3di7 s MET 79 N -4.13 0.79 -0.05 3.99 -1.94 0.80 -4.84 119.30 113.93 3di7 s MET 79 Ca 0.61 -1.07 -0.30 0.00 -1.71 0.00 0.00 55.69 53.22 3di7 s MET 79 Cb -0.13 -0.53 -0.03 0.00 2.01 0.00 0.00 34.83 36.14 3di7 s MET 79 CO 0.36 0.09 1.19 0.45 -0.01 0.00 0.00 175.02 177.09 3di7 s SER 80 N -2.22 7.07 0.09 3.03 0.15 -1.26 -1.59 113.70 118.96 3di7 s SER 80 Ca 0.02 1.81 0.00 0.00 0.70 0.00 0.00 55.95 58.49 3di7 s SER 80 Cb -0.05 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 3di7 s SER 80 CO 0.00 -0.56 -0.03 0.27 1.20 0.00 0.00 173.24 174.12 3di7 s ILE 81 N 2.11 0.44 -0.08 6.45 -4.36 0.18 0.02 121.20 125.96 3di7 s ILE 81 Ca 0.56 -1.89 -0.00 0.00 -0.26 0.00 0.00 60.65 59.06 3di7 s ILE 81 Cb -0.25 -1.69 0.02 0.00 1.25 0.00 0.00 42.46 41.80 3di7 s ILE 81 CO 0.22 -0.85 -0.05 -0.89 0.24 0.00 0.00 174.94 173.62 3di7 s THR 82 N -3.79 0.71 -0.08 8.37 2.01 -0.16 -1.08 115.64 121.62 3di7 s THR 82 Ca 0.12 -0.14 -0.14 0.00 0.31 0.00 0.00 61.69 61.84 3di7 s THR 82 Cb 0.07 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.76 3di7 s THR 82 CO -0.05 0.30 0.36 -0.62 -0.69 0.00 0.00 174.62 173.92 3di7 s ASP 83 N 1.48 6.64 -0.16 3.53 2.15 0.15 -0.79 116.67 129.67 3di7 s ASP 83 Ca -0.01 0.76 0.01 0.00 0.43 0.00 0.00 52.55 53.74 3di7 s ASP 83 Cb -0.13 -2.22 0.01 0.00 -0.30 0.00 0.00 42.92 40.28 3di7 s ASP 83 CO -0.04 0.21 -0.18 0.00 -0.17 0.00 0.00 175.17 174.99 3di7 s ARG 85 N 1.05 0.13 0.43 0.00 0.52 -1.02 -0.68 118.95 119.38 3di7 s ARG 85 Ca -0.01 -0.04 -0.26 0.00 -0.52 0.00 0.00 55.73 54.91 3di7 s ARG 85 Cb -0.14 -0.14 -0.09 0.00 0.52 0.00 0.00 34.95 35.10 3di7 s ARG 85 CO -0.06 0.02 1.41 -1.21 0.02 0.00 0.00 175.30 175.48 3di7 s GLU 86 N 0.07 3.80 0.59 3.54 2.02 -0.50 -0.88 118.70 127.34 3di7 s GLU 86 Ca -0.00 2.39 0.01 0.00 0.02 0.00 0.00 54.97 57.38 3di7 s GLU 86 Cb -0.02 -2.72 0.12 0.00 0.10 0.00 0.00 34.13 31.61 3di7 s GLU 86 CO -0.00 -0.72 0.81 0.25 0.02 0.00 0.00 175.26 175.62 3di7 n THR 87 N -0.04 0.00 0.14 3.63 -2.24 -0.82 -4.80 114.28 110.15 3di7 n THR 87 Ca 0.04 -1.32 -0.01 0.00 -2.27 0.00 0.00 64.05 60.49 3di7 n THR 87 Cb 0.42 -0.95 0.22 0.00 -2.10 0.00 0.00 70.33 67.92 3di7 n THR 87 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3di7 h GLY 88 N -0.44 0.05 0.50 3.38 0.00 -1.95 -3.00 103.07 101.60 3di7 h GLY 88 Ca -0.27 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3di7 h GLY 88 CO 0.29 0.04 0.00 -1.14 0.00 0.00 0.00 176.54 175.74 3di7 n SER 89 N -3.91 0.31 -4.72 0.19 3.41 -1.26 -4.85 113.62 102.78 3di7 n SER 89 Ca -0.01 -1.29 -0.42 0.00 -0.26 0.00 0.00 58.87 56.89 3di7 n SER 89 Cb 0.54 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 3di7 n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3di7 s SER 90 N -1.78 7.17 -0.30 4.04 0.15 -1.14 -4.83 113.70 117.01 3di7 s SER 90 Ca 0.37 1.99 -0.09 0.00 0.70 0.00 0.00 55.95 58.92 3di7 s SER 90 Cb 0.18 -2.58 0.14 0.00 -1.71 0.00 0.00 66.02 62.05 3di7 s SER 90 CO 0.29 -0.37 0.68 -0.75 1.20 0.00 0.00 173.24 174.29 3di7 s LYS 91 N 0.65 0.54 0.31 5.44 2.20 -0.87 -4.89 119.74 123.12 3di7 s LYS 91 Ca 0.55 1.30 -0.29 0.00 -0.36 0.00 0.00 55.97 57.18 3di7 s LYS 91 Cb -0.28 0.78 -0.13 0.00 -1.51 0.00 0.00 37.83 36.68 3di7 s LYS 91 CO 0.31 -0.25 1.24 0.98 -0.36 0.00 0.00 175.35 177.26 3di7 n TYR 92 N 5.40 1.99 0.18 4.03 9.36 -1.26 0.16 117.16 137.02 3di7 n TYR 92 Ca -0.10 0.58 -0.03 0.00 3.32 0.00 0.00 57.90 61.67 3di7 n TYR 92 Cb 0.50 -2.38 0.12 0.00 -0.63 0.00 0.00 39.34 36.95 3di7 n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3di7 n PRO 93 N 0.84 2.11 -3.03 2.98 -0.04 -1.26 -4.95 135.00 131.65 3di7 n PRO 93 Ca 0.07 -1.25 -0.34 0.00 -0.04 0.00 0.00 63.50 61.95 3di7 n PRO 93 Cb 0.34 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 32.11 3di7 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3di7 n ASN 94 N 0.07 5.33 -4.75 3.54 5.03 0.43 -5.06 115.26 119.85 3di7 n ASN 94 Ca 0.17 -3.56 -0.36 0.00 0.87 0.00 0.00 54.58 51.70 3di7 n ASN 94 Cb 0.78 -0.88 0.04 0.00 -1.02 0.00 0.00 39.78 38.70 3di7 n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3di7 s ALA 96 N -1.66 -0.58 0.07 0.00 0.00 -1.26 -4.86 121.76 113.48 3di7 s ALA 96 Ca 0.77 1.00 0.08 0.00 0.00 0.00 0.00 51.96 53.80 3di7 s ALA 96 Cb -0.30 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 3di7 s ALA 96 CO 0.34 -0.19 -0.21 0.71 0.00 0.00 0.00 175.76 176.41 3di7 s TYR 97 N 1.17 1.78 -0.05 0.00 1.51 -1.26 -1.94 117.35 118.56 3di7 s TYR 97 Ca -0.09 -0.40 -0.17 0.00 -1.01 0.00 0.00 57.07 55.41 3di7 s TYR 97 Cb -0.10 -1.02 -0.05 0.00 -0.11 0.00 0.00 41.96 40.68 3di7 s TYR 97 CO -0.08 0.15 0.45 0.21 -1.11 0.00 0.00 175.55 175.17 3di7 s LYS 98 N -1.55 4.16 -0.27 -0.62 2.20 -0.05 -4.59 119.74 119.01 3di7 s LYS 98 Ca 0.07 0.45 -0.08 0.00 -0.36 0.00 0.00 55.97 56.05 3di7 s LYS 98 Cb -0.09 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 3di7 s LYS 98 CO 0.03 0.42 0.09 0.99 -0.36 0.00 0.00 175.35 176.52 3di7 s THR 99 N -0.23 4.32 -0.24 3.43 2.01 -1.26 -2.44 115.64 121.22 3di7 s THR 99 Ca 0.25 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.94 3di7 s THR 99 Cb -0.16 -3.10 0.06 0.00 0.01 0.00 0.00 72.50 69.31 3di7 s THR 99 CO 0.12 0.23 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.32 3di7 s THR 100 N 1.59 1.72 0.15 -0.82 2.01 -0.36 -4.96 115.64 114.98 3di7 s THR 100 Ca 0.05 -1.36 -0.23 0.00 0.31 0.00 0.00 61.69 60.45 3di7 s THR 100 Cb -0.16 -1.95 -0.08 0.00 0.01 0.00 0.00 72.50 70.32 3di7 s THR 100 CO 0.04 -0.10 0.73 -1.58 -0.69 0.00 0.00 174.62 173.02 3di7 s GLN 101 N 1.30 4.45 0.27 4.92 2.00 -1.26 -0.68 119.66 130.67 3di7 s GLN 101 Ca -0.06 1.03 -0.20 0.00 -2.00 0.00 0.00 55.36 54.13 3di7 s GLN 101 Cb -0.19 -3.21 0.02 0.00 0.80 0.00 0.00 33.01 30.43 3di7 s GLN 101 CO -0.06 0.56 0.68 0.00 -0.50 0.00 0.00 175.29 175.97 3di7 s ALA 102 N -1.19 -1.05 -0.25 1.58 0.00 -0.24 -4.98 121.76 115.62 3di7 s ALA 102 Ca 0.35 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.92 3di7 s ALA 102 Cb -0.22 0.89 0.06 0.00 0.00 0.00 0.00 23.12 23.85 3di7 s ALA 102 CO 0.24 -1.01 -0.07 -0.80 0.00 0.00 0.00 175.76 174.12 3di7 s ASN 103 N -2.94 4.11 0.18 0.00 0.01 -1.26 -0.65 114.94 114.40 3di7 s ASN 103 Ca 0.13 -1.30 -0.08 0.00 -0.71 0.00 0.00 52.86 50.91 3di7 s ASN 103 Cb -0.05 -1.33 -0.02 0.00 0.41 0.00 0.00 41.25 40.26 3di7 s ASN 103 CO 0.07 -0.22 0.27 -0.54 -1.51 0.00 0.00 177.10 175.17 3di7 s LYS 104 N 1.27 1.22 0.34 -0.60 -0.14 -0.62 -4.77 119.74 116.43 3di7 s LYS 104 Ca -0.06 -1.29 -0.26 0.00 -1.36 0.00 0.00 55.97 52.99 3di7 s LYS 104 Cb -0.19 0.36 -0.09 0.00 -1.68 0.00 0.00 37.83 36.23 3di7 s LYS 104 CO -0.06 -0.44 1.02 -1.01 -0.76 0.00 0.00 175.35 174.10 3di7 s HIS 105 N -4.02 3.51 0.14 3.18 3.76 -1.26 -0.14 115.29 120.46 3di7 s HIS 105 Ca 0.23 1.72 0.05 0.00 -0.15 0.00 0.00 55.06 56.90 3di7 s HIS 105 Cb 0.04 -3.09 -0.04 0.00 1.11 0.00 0.00 32.58 30.60 3di7 s HIS 105 CO 0.04 -0.28 0.09 0.96 -0.85 0.00 0.00 174.74 174.70 3di7 s ILE 106 N -1.51 4.34 -0.16 0.60 -4.36 -1.26 -0.33 121.20 118.52 3di7 s ILE 106 Ca 0.52 -1.04 0.00 0.00 -0.26 0.00 0.00 60.65 59.87 3di7 s ILE 106 Cb -0.23 -3.17 0.03 0.00 1.25 0.00 0.00 42.46 40.34 3di7 s ILE 106 CO 0.29 -0.03 -0.12 -0.63 0.24 0.00 0.00 174.94 174.70 3di7 s ILE 107 N -1.61 1.52 0.17 8.37 1.09 0.05 -0.85 121.20 129.93 3di7 s ILE 107 Ca 0.29 -0.73 0.09 0.00 -1.10 0.00 0.00 60.65 59.20 3di7 s ILE 107 Cb -0.11 -1.51 -0.04 0.00 -1.06 0.00 0.00 42.46 39.74 3di7 s ILE 107 CO 0.22 0.33 -0.20 0.68 -0.10 0.00 0.00 174.94 175.87 3di7 s VAL 108 N 1.48 1.94 -0.06 2.92 -7.23 -0.43 -0.55 120.40 118.47 3di7 s VAL 108 Ca 0.03 -1.92 -0.12 0.00 -1.81 0.00 0.00 61.98 58.15 3di7 s VAL 108 Cb -0.14 -1.89 -0.05 0.00 0.56 0.00 0.00 36.38 34.86 3di7 s VAL 108 CO -0.09 -0.25 0.32 0.00 -0.31 0.00 0.00 175.10 174.76 3di7 s ALA 109 N -1.90 3.73 0.12 1.32 0.00 -0.42 -0.44 121.76 124.18 3di7 s ALA 109 Ca 0.16 -0.37 0.10 0.00 0.00 0.00 0.00 51.96 51.85 3di7 s ALA 109 Cb -0.07 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 3di7 s ALA 109 CO 0.07 0.46 -0.25 0.00 0.00 0.00 0.00 175.76 176.04 3di7 s GLU 111 N -1.99 1.09 0.05 0.00 -1.05 -0.69 -4.90 118.70 111.21 3di7 s GLU 111 Ca 0.12 -0.45 0.00 0.00 -0.15 0.00 0.00 54.97 54.48 3di7 s GLU 111 Cb -0.10 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 3di7 s GLU 111 CO 0.05 -0.48 0.00 0.41 0.95 0.00 0.00 175.26 176.19 3di7 n GLY 112 N -0.33 -3.48 2.65 -3.83 0.00 -1.26 -2.63 105.19 96.31 3di7 n GLY 112 Ca -0.11 -1.97 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 3di7 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3di7 s ASN 113 N -1.19 2.67 0.78 1.61 2.47 -1.26 -2.53 114.94 117.50 3di7 s ASN 113 Ca 0.00 -0.76 -0.14 0.00 0.42 0.00 0.00 52.86 52.38 3di7 s ASN 113 Cb 0.00 -0.38 0.07 0.00 -1.45 0.00 0.00 41.25 39.48 3di7 s ASN 113 CO 0.00 -0.35 1.21 -2.16 -3.72 0.00 0.00 177.10 172.09 3di7 s PRO 114 N 2.03 1.82 -0.66 0.43 0.04 -1.26 -5.08 135.00 132.32 3di7 s PRO 114 Ca 0.02 1.77 -0.25 0.00 0.04 0.00 0.00 61.00 62.58 3di7 s PRO 114 Cb -0.16 -1.79 0.04 0.00 0.04 0.00 0.00 34.50 32.63 3di7 s PRO 114 CO -0.11 -2.08 1.12 -0.47 0.04 0.00 0.00 177.00 175.49 3di7 s TYR 115 N -2.07 2.53 0.28 0.56 5.04 -1.05 -4.87 117.35 117.77 3di7 s TYR 115 Ca 0.74 -0.12 0.03 0.00 -2.44 0.00 0.00 57.07 55.27 3di7 s TYR 115 Cb -0.29 -4.42 -0.06 0.00 0.35 0.00 0.00 41.96 37.54 3di7 s TYR 115 CO 0.49 -1.76 0.06 0.14 -1.34 0.00 0.00 175.55 173.14 3di7 s VAL 116 N 4.82 0.94 0.23 3.14 -7.23 -1.08 -4.82 120.40 116.40 3di7 s VAL 116 Ca 0.32 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 58.17 3di7 s VAL 116 Cb -0.11 -2.65 -0.10 0.00 0.56 0.00 0.00 36.38 34.08 3di7 s VAL 116 CO 0.16 -0.07 1.48 -2.84 -0.31 0.00 0.00 175.10 173.52 3di7 s PRO 117 N -3.94 4.25 0.00 4.82 0.02 -1.26 -1.70 135.00 137.19 3di7 s PRO 117 Ca 0.35 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.70 3di7 s PRO 117 Cb 0.08 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.48 3di7 s PRO 117 CO 0.14 -0.48 0.07 1.33 -0.33 0.00 0.00 177.00 177.73 3di7 n VAL 118 N 2.73 0.00 -3.66 3.83 0.24 0.05 -4.51 118.33 117.01 3di7 n VAL 118 Ca 0.09 -0.33 -0.14 0.00 -2.04 0.00 0.00 64.34 61.91 3di7 n VAL 118 Cb 0.40 1.08 -0.08 0.00 -1.47 0.00 0.00 33.84 33.76 3di7 n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3di7 s HIS 119 N -0.51 -0.55 -0.34 6.34 3.76 -1.17 -4.69 115.29 118.12 3di7 s HIS 119 Ca 0.00 1.21 -0.15 0.00 -0.15 0.00 0.00 55.06 55.97 3di7 s HIS 119 Cb 0.00 0.23 -0.01 0.00 1.11 0.00 0.00 32.58 33.91 3di7 s HIS 119 CO 0.00 -0.37 0.35 0.12 -0.85 0.00 0.00 174.74 173.99 3di7 s PHE 120 N -0.27 3.21 -0.13 1.40 2.19 -1.26 -1.30 117.98 121.82 3di7 s PHE 120 Ca -0.04 -0.06 -0.15 0.00 0.33 0.00 0.00 56.93 57.01 3di7 s PHE 120 Cb -0.03 -2.65 -0.25 0.00 -1.31 0.00 0.00 43.02 38.77 3di7 s PHE 120 CO 0.03 -0.43 0.43 0.22 1.83 0.00 0.00 175.22 177.30 3di7 h ASP 121 N 8.47 0.30 -5.93 6.13 3.58 -1.17 -3.49 116.42 124.31 3di7 h ASP 121 Ca -0.30 -0.80 0.38 0.00 0.42 0.00 0.00 57.03 56.73 3di7 h ASP 121 Cb 1.14 -0.10 -0.10 0.00 1.72 0.00 0.00 39.33 42.00 3di7 h ASP 121 CO 0.69 1.65 0.96 0.00 -2.88 0.00 0.00 179.24 179.66 3di7 s ALA 122 N -2.47 -2.58 0.11 -0.78 0.00 -1.13 -4.95 121.76 109.97 3di7 s ALA 122 Ca -0.23 0.44 0.06 0.00 0.00 0.00 0.00 51.96 52.24 3di7 s ALA 122 Cb 0.05 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 3di7 s ALA 122 CO 0.73 -1.12 -0.15 -1.54 0.00 0.00 0.00 175.76 173.67 3di7 s SER 123 N -3.52 2.02 0.00 0.00 1.04 -1.26 -0.77 113.70 111.20 3di7 s SER 123 Ca 0.24 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.92 3di7 s SER 123 Cb 0.03 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.07 3di7 s SER 123 CO -0.04 -0.10 0.11 0.52 0.98 0.00 0.00 173.24 174.71