#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p47 s THR 3 N 0.00 2.78 0.43 0.00 -4.23 -1.26 -4.86 115.64 108.51 2p47 s THR 3 Ca 0.00 0.39 0.11 0.00 -1.18 0.00 0.00 61.69 61.01 2p47 s THR 3 Cb 0.00 -2.95 0.30 0.00 1.34 0.00 0.00 72.50 71.18 2p47 s THR 3 CO 0.00 -0.20 2.03 0.00 -0.54 0.00 0.00 174.62 175.91 2p47 h ALA 4 N 0.05 1.88 -0.31 3.99 0.00 -1.96 -1.68 119.26 121.22 2p47 h ALA 4 Ca -0.48 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 2p47 h ALA 4 Cb 1.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2p47 h ALA 4 CO 0.52 0.05 -0.15 0.00 0.00 0.00 0.00 179.25 179.68 2p47 h ALA 5 N 1.74 0.43 0.00 0.00 0.00 -1.89 -1.49 119.26 118.05 2p47 h ALA 5 Ca 0.20 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2p47 h ALA 5 Cb 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2p47 h ALA 5 CO -0.05 0.33 -0.22 0.00 0.00 0.00 0.00 179.25 179.30 2p47 h ALA 6 N 0.76 1.45 0.00 0.00 0.00 -1.81 -2.09 119.26 117.57 2p47 h ALA 6 Ca 0.07 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 2p47 h ALA 6 Cb 0.67 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2p47 h ALA 6 CO 0.04 0.28 -0.87 -0.22 0.00 0.00 0.00 179.25 178.49 2p47 h LYS 7 N 0.00 0.20 -0.16 0.00 3.64 -1.06 -1.45 116.57 117.74 2p47 h LYS 7 Ca -0.00 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.07 2p47 h LYS 7 Cb 0.45 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2p47 h LYS 7 CO 0.03 0.95 -0.26 0.35 -2.27 0.00 0.00 179.45 178.25 2p47 h PHE 8 N 0.11 0.56 -0.78 1.91 3.57 -1.07 -0.83 116.94 120.40 2p47 h PHE 8 Ca -0.04 -0.19 0.05 0.00 3.53 0.00 0.00 57.97 61.31 2p47 h PHE 8 Cb 1.49 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 40.07 2p47 h PHE 8 CO 0.03 0.88 0.48 0.93 -2.23 0.00 0.00 178.31 178.41 2p47 h GLU 9 N 0.07 0.88 -0.28 1.11 5.08 -1.38 0.12 114.58 120.18 2p47 h GLU 9 Ca 0.01 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.13 2p47 h GLU 9 Cb 0.84 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2p47 h GLU 9 CO 0.06 0.58 -0.56 -0.09 -1.00 0.00 0.00 179.01 178.00 2p47 h ARG 10 N 0.91 0.87 0.00 2.33 2.43 -1.17 -2.30 114.38 117.45 2p47 h ARG 10 Ca 0.33 -0.56 -0.20 0.00 -0.81 0.00 0.00 59.98 58.74 2p47 h ARG 10 Cb 0.11 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 2p47 h ARG 10 CO -0.15 1.19 -1.23 1.96 -1.51 0.00 0.00 179.97 180.24 2p47 h GLN 11 N 0.66 0.00 0.00 0.20 4.20 -0.99 -3.43 115.11 115.76 2p47 h GLN 11 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2p47 h GLN 11 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 2p47 h GLN 11 CO 0.12 0.58 0.00 0.72 -0.67 0.00 0.00 178.83 179.58 2p47 n HIS 12 N -3.12 0.00 -4.52 2.96 8.25 0.42 -4.66 115.22 114.55 2p47 n HIS 12 Ca -0.07 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.05 2p47 n HIS 12 Cb 0.91 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.89 2p47 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2p47 s MET 13 N -0.07 3.55 -0.43 -0.41 -1.94 -0.86 0.12 119.30 119.26 2p47 s MET 13 Ca 0.00 -0.58 0.04 0.00 -1.71 0.00 0.00 55.69 53.43 2p47 s MET 13 Cb 0.00 -2.81 0.17 0.00 2.01 0.00 0.00 34.83 34.19 2p47 s MET 13 CO 0.00 0.21 0.35 0.34 -0.01 0.00 0.00 175.02 175.91 2p47 s ASP 14 N 0.40 1.76 0.00 3.03 2.15 0.16 -4.80 116.67 119.37 2p47 s ASP 14 Ca -0.06 -3.09 0.00 0.00 0.43 0.00 0.00 52.55 49.83 2p47 s ASP 14 Cb -0.15 -0.53 0.00 0.00 -0.30 0.00 0.00 42.92 41.94 2p47 s ASP 14 CO 0.04 -0.17 0.58 -1.20 -0.17 0.00 0.00 175.17 174.25 2p47 n SER 15 N 2.83 0.26 0.00 -0.34 7.64 -1.26 -3.71 113.62 119.04 2p47 n SER 15 Ca 0.28 -1.42 0.00 0.00 1.01 0.00 0.00 58.87 58.74 2p47 n SER 15 Cb 0.46 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 2p47 n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2p47 n SER 16 N -0.27 1.18 0.04 6.43 3.41 -1.26 -4.78 113.62 118.37 2p47 n SER 16 Ca 0.00 -1.29 -0.03 0.00 -0.26 0.00 0.00 58.87 57.29 2p47 n SER 16 Cb 0.06 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 2p47 n SER 16 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2p47 h THR 17 N 0.19 0.00 -0.65 6.66 2.02 -1.90 -3.47 112.91 115.75 2p47 h THR 17 Ca 0.00 -0.45 -0.10 0.00 0.77 0.00 0.00 66.41 66.63 2p47 h THR 17 Cb 0.22 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.57 2p47 h THR 17 CO 0.00 0.00 0.12 -1.54 0.37 0.00 0.00 175.52 174.47 2p47 n SER 18 N -3.71 5.37 -3.64 4.18 3.41 -1.26 -4.98 113.62 113.01 2p47 n SER 18 Ca -0.02 -3.07 -0.11 0.00 -0.26 0.00 0.00 58.87 55.42 2p47 n SER 18 Cb 0.07 -0.72 -0.05 0.00 -0.26 0.00 0.00 64.21 63.25 2p47 n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2p47 s ALA 19 N -2.88 -0.93 -1.01 7.33 0.00 -1.26 -4.82 121.76 118.19 2p47 s ALA 19 Ca 0.55 -0.03 -0.23 0.00 0.00 0.00 0.00 51.96 52.25 2p47 s ALA 19 Cb 0.43 0.67 0.03 0.00 0.00 0.00 0.00 23.12 24.24 2p47 s ALA 19 CO 0.15 -0.63 1.58 0.00 0.00 0.00 0.00 175.76 176.86 2p47 s ALA 20 N -3.71 2.49 -0.09 0.00 0.00 -1.26 -4.82 121.76 114.37 2p47 s ALA 20 Ca 0.02 -2.11 0.14 0.00 0.00 0.00 0.00 51.96 50.01 2p47 s ALA 20 Cb 0.02 -4.54 -0.07 0.00 0.00 0.00 0.00 23.12 18.53 2p47 s ALA 20 CO -0.11 -3.90 1.18 0.66 0.00 0.00 0.00 175.76 173.59 2p47 h SER 21 N 10.05 0.00 -2.94 0.00 4.64 -1.99 -3.44 113.55 119.88 2p47 h SER 21 Ca 0.19 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.89 2p47 h SER 21 Cb 1.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.04 2p47 h SER 21 CO 1.38 0.65 -0.31 -0.55 -0.87 0.00 0.00 176.83 177.13 2p47 s SER 22 N -6.28 6.61 0.00 4.97 0.15 -1.26 -5.00 113.70 112.89 2p47 s SER 22 Ca 0.01 0.73 0.27 0.00 0.70 0.00 0.00 55.95 57.66 2p47 s SER 22 Cb 0.08 -2.16 0.82 0.00 -1.71 0.00 0.00 66.02 63.06 2p47 s SER 22 CO 0.78 0.29 1.62 -1.54 1.20 0.00 0.00 173.24 175.59 2p47 n SER 23 N 1.45 0.55 0.01 5.45 3.41 -1.26 -2.41 113.62 120.82 2p47 n SER 23 Ca -0.13 -0.37 0.05 0.00 -0.26 0.00 0.00 58.87 58.16 2p47 n SER 23 Cb 0.53 0.05 0.23 0.00 -0.26 0.00 0.00 64.21 64.76 2p47 n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2p47 n ASN 24 N -1.18 0.06 -0.18 4.04 3.02 -1.26 -4.21 115.26 115.55 2p47 n ASN 24 Ca 0.09 0.52 -0.01 0.00 -0.03 0.00 0.00 54.58 55.15 2p47 n ASN 24 Cb 0.33 -0.53 0.07 0.00 -0.61 0.00 0.00 39.78 39.04 2p47 n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2p47 h TYR 25 N 0.00 -0.05 -0.12 3.10 5.03 -1.87 -2.77 116.97 120.28 2p47 h TYR 25 Ca 0.00 0.04 -0.12 0.00 2.58 0.00 0.00 58.73 61.23 2p47 h TYR 25 Cb 0.17 0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.56 2p47 h TYR 25 CO 0.00 -0.14 -0.39 0.00 -1.32 0.00 0.00 178.16 176.31 2p47 h ASN 27 N 0.06 0.66 -0.01 0.00 2.35 -1.77 0.32 115.58 117.19 2p47 h ASN 27 Ca -0.01 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2p47 h ASN 27 Cb 1.01 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.34 2p47 h ASN 27 CO 0.08 0.25 -0.49 0.00 -1.65 0.00 0.00 177.43 175.62 2p47 n GLN 28 N -4.67 1.30 -0.10 0.81 10.64 -1.05 -3.56 117.38 120.76 2p47 n GLN 28 Ca 0.22 -0.79 -0.13 0.00 -1.83 0.00 0.00 57.00 54.47 2p47 n GLN 28 Cb 0.62 -1.40 -0.14 0.00 -0.86 0.00 0.00 30.24 28.45 2p47 n GLN 28 CO 0.00 0.00 0.00 -1.33 -1.83 0.00 0.00 177.06 173.90 2p47 n MET 29 N -0.26 0.68 -0.25 2.61 2.81 0.40 -3.22 117.12 119.88 2p47 n MET 29 Ca 0.08 0.09 -0.05 0.00 -1.81 0.00 0.00 57.70 56.00 2p47 n MET 29 Cb 0.40 -1.55 0.05 0.00 -0.71 0.00 0.00 33.22 31.41 2p47 n MET 29 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 2p47 h MET 30 N 0.00 0.95 0.70 0.03 2.86 -0.53 -1.53 114.93 117.42 2p47 h MET 30 Ca -0.53 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 56.99 2p47 h MET 30 Cb 2.10 -0.20 0.01 0.00 0.06 0.00 0.00 31.60 33.57 2p47 h MET 30 CO -0.00 0.68 -0.34 -0.22 1.06 0.00 0.00 176.91 178.09 2p47 h LYS 31 N 0.96 -0.91 -0.88 1.72 3.64 -1.76 -0.35 116.57 118.99 2p47 h LYS 31 Ca 0.25 0.06 0.28 0.00 -1.27 0.00 0.00 60.65 59.97 2p47 h LYS 31 Cb -0.03 0.21 -0.16 0.00 -0.41 0.00 0.00 32.23 31.83 2p47 h LYS 31 CO -0.05 -0.61 0.14 0.43 -2.27 0.00 0.00 179.45 177.09 2p47 n SER 32 N -5.04 0.01 -2.13 4.20 7.64 -1.18 -0.17 113.62 116.94 2p47 n SER 32 Ca -0.12 1.48 -0.24 0.00 1.01 0.00 0.00 58.87 61.00 2p47 n SER 32 Cb 0.37 -0.59 0.13 0.00 -1.01 0.00 0.00 64.21 63.12 2p47 n SER 32 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2p47 n ARG 33 N -5.20 2.23 -1.73 1.43 5.12 -0.58 -4.93 116.66 113.00 2p47 n ARG 33 Ca 0.24 -2.74 -0.14 0.00 -1.93 0.00 0.00 57.85 53.28 2p47 n ARG 33 Cb 0.80 -2.08 -0.04 0.00 -1.16 0.00 0.00 32.46 29.98 2p47 n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2p47 n ASN 34 N -0.87 -3.84 -0.36 0.55 3.02 0.77 -4.80 115.26 109.73 2p47 n ASN 34 Ca 0.54 0.28 0.13 0.00 -0.03 0.00 0.00 54.58 55.50 2p47 n ASN 34 Cb 1.27 -3.46 0.57 0.00 -0.61 0.00 0.00 39.78 37.55 2p47 n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2p47 n LEU 35 N -2.21 1.11 -0.02 3.41 4.77 -0.15 -3.56 117.00 120.35 2p47 n LEU 35 Ca -0.15 -0.41 0.03 0.00 -0.03 0.00 0.00 56.01 55.46 2p47 n LEU 35 Cb 0.51 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.61 2p47 n LEU 35 CO 0.20 0.20 0.51 0.35 -1.33 0.00 0.00 177.39 177.33 2p47 n THR 36 N -0.11 1.22 -0.05 -5.08 -2.24 -1.24 -3.55 114.28 103.24 2p47 n THR 36 Ca 0.19 -1.33 -0.12 0.00 -2.27 0.00 0.00 64.05 60.52 2p47 n THR 36 Cb 0.27 0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.75 2p47 n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2p47 h LYS 37 N 0.00 0.25 0.00 -0.78 3.64 -1.91 -3.38 116.57 114.39 2p47 h LYS 37 Ca 0.00 -0.07 -0.27 0.00 -1.27 0.00 0.00 60.65 59.04 2p47 h LYS 37 Cb 0.66 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 2p47 h LYS 37 CO 0.00 0.45 -1.86 -0.25 -2.27 0.00 0.00 179.45 175.52 2p47 n ASP 38 N -4.78 1.94 -2.86 4.20 8.00 -1.26 -5.08 116.55 116.70 2p47 n ASP 38 Ca -0.05 0.35 -0.16 0.00 0.71 0.00 0.00 54.79 55.64 2p47 n ASP 38 Cb 0.19 -0.80 -0.06 0.00 -0.02 0.00 0.00 41.12 40.43 2p47 n ASP 38 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2p47 n ARG 39 N -4.35 0.36 -2.68 -1.24 1.85 -1.26 -5.06 116.66 104.28 2p47 n ARG 39 Ca -0.37 -2.71 -0.43 0.00 -1.00 0.00 0.00 57.85 53.34 2p47 n ARG 39 Cb 0.72 2.17 -0.03 0.00 -1.05 0.00 0.00 32.46 34.27 2p47 n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2p47 s LYS 41 N 4.52 3.45 0.25 0.00 2.20 -1.23 -4.87 119.74 124.06 2p47 s LYS 41 Ca 0.39 2.16 -0.04 0.00 -0.36 0.00 0.00 55.97 58.12 2p47 s LYS 41 Cb -0.09 -4.29 0.39 0.00 -1.51 0.00 0.00 37.83 32.32 2p47 s LYS 41 CO 0.24 -1.74 1.86 -1.35 -0.36 0.00 0.00 175.35 173.99 2p47 h PRO 42 N 13.56 1.01 -3.97 4.03 0.11 -1.94 -3.44 132.00 141.35 2p47 h PRO 42 Ca -0.43 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 65.47 2p47 h PRO 42 Cb 1.23 -0.23 -0.20 0.00 0.11 0.00 0.00 31.00 31.92 2p47 h PRO 42 CO 0.96 0.67 -0.66 0.08 -0.21 0.00 0.00 178.00 178.83 2p47 s VAL 43 N -6.04 0.13 -0.13 3.15 1.01 -1.26 -2.25 120.40 115.01 2p47 s VAL 43 Ca -0.12 -1.07 -0.30 0.00 0.00 0.00 0.00 61.98 60.48 2p47 s VAL 43 Cb 0.19 -0.56 0.10 0.00 0.00 0.00 0.00 36.38 36.11 2p47 s VAL 43 CO 0.80 -0.59 0.88 0.21 0.00 0.00 0.00 175.10 176.39 2p47 s ASN 44 N -1.78 -0.49 -0.09 3.32 2.47 -0.89 -5.02 114.94 112.46 2p47 s ASN 44 Ca -0.11 0.56 0.03 0.00 0.42 0.00 0.00 52.86 53.77 2p47 s ASN 44 Cb -0.06 0.44 0.00 0.00 -1.45 0.00 0.00 41.25 40.19 2p47 s ASN 44 CO -0.03 -0.43 -0.20 -0.89 -3.72 0.00 0.00 177.10 171.83 2p47 s THR 45 N -1.05 1.74 -0.10 -5.21 2.01 -1.26 -0.96 115.64 110.82 2p47 s THR 45 Ca -0.05 -0.84 -0.08 0.00 0.31 0.00 0.00 61.69 61.03 2p47 s THR 45 Cb -0.01 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 2p47 s THR 45 CO 0.04 0.49 0.18 -0.36 -0.69 0.00 0.00 174.62 174.29 2p47 s PHE 46 N 0.44 3.62 -0.17 4.92 0.08 -0.77 -4.32 117.98 121.77 2p47 s PHE 46 Ca -0.17 0.60 -0.05 0.00 0.12 0.00 0.00 56.93 57.43 2p47 s PHE 46 Cb -0.17 -1.99 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 2p47 s PHE 46 CO 0.07 0.72 -0.01 0.08 -0.10 0.00 0.00 175.22 175.99 2p47 s VAL 47 N -1.05 4.08 -0.60 -0.44 1.01 0.32 -1.22 120.40 122.50 2p47 s VAL 47 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2p47 s VAL 47 Cb -0.13 -2.82 0.43 0.00 0.00 0.00 0.00 36.38 33.87 2p47 s VAL 47 CO 0.06 0.47 1.79 1.41 0.00 0.00 0.00 175.10 178.82 2p47 n HIS 48 N 3.75 3.10 -4.40 5.22 -0.00 0.16 -0.67 115.22 122.38 2p47 n HIS 48 Ca -0.17 -2.74 -0.25 0.00 -0.00 0.00 0.00 57.72 54.56 2p47 n HIS 48 Cb 0.52 -1.07 -0.09 0.00 -0.00 0.00 0.00 29.99 29.35 2p47 n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2p47 s GLU 49 N -3.81 2.00 0.72 -0.41 0.41 -1.26 -4.70 118.70 111.66 2p47 s GLU 49 Ca 0.58 -1.82 -0.16 0.00 -0.41 0.00 0.00 54.97 53.16 2p47 s GLU 49 Cb 0.47 -1.85 0.00 0.00 -1.78 0.00 0.00 34.13 30.96 2p47 s GLU 49 CO -0.09 0.12 0.92 -1.13 -0.49 0.00 0.00 175.26 174.59 2p47 n SER 50 N -0.92 0.29 0.15 -0.19 3.41 -1.26 -4.26 113.62 110.84 2p47 n SER 50 Ca -0.04 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 2p47 n SER 50 Cb 0.63 -1.39 0.28 0.00 -0.26 0.00 0.00 64.21 63.47 2p47 n SER 50 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2p47 h LEU 51 N -0.27 0.05 -0.38 1.04 5.85 -1.97 -2.24 115.31 117.39 2p47 h LEU 51 Ca -0.47 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 2p47 h LEU 51 Cb 1.33 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 2p47 h LEU 51 CO 0.46 0.49 0.20 0.00 -0.34 0.00 0.00 178.44 179.25 2p47 h ALA 52 N 1.51 0.48 -0.98 1.25 0.00 -1.98 0.32 119.26 119.86 2p47 h ALA 52 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2p47 h ALA 52 Cb 0.81 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 2p47 h ALA 52 CO 0.06 0.02 0.65 -0.44 0.00 0.00 0.00 179.25 179.55 2p47 h ASP 53 N 0.48 1.12 0.00 0.00 5.19 -1.85 -1.79 116.42 119.57 2p47 h ASP 53 Ca 0.13 -0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 56.47 2p47 h ASP 53 Cb 0.08 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.32 2p47 h ASP 53 CO -0.02 0.80 -0.19 0.58 -3.12 0.00 0.00 179.24 177.30 2p47 h VAL 54 N 1.32 1.58 -0.51 -1.35 2.07 -0.94 -3.25 116.25 115.17 2p47 h VAL 54 Ca 0.36 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 2p47 h VAL 54 Cb -0.13 2.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 2p47 h VAL 54 CO -0.08 0.53 0.29 1.56 0.02 0.00 0.00 177.57 179.89 2p47 h GLN 55 N -0.60 0.70 0.00 1.57 4.20 -0.40 -0.94 115.11 119.63 2p47 h GLN 55 Ca -0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2p47 h GLN 55 Cb 0.97 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2p47 h GLN 55 CO 0.04 0.51 0.00 0.00 -0.67 0.00 0.00 178.83 178.70 2p47 n ALA 56 N -2.46 1.18 0.17 3.87 0.00 -0.67 -2.11 120.51 120.48 2p47 n ALA 56 Ca 0.04 0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.51 2p47 n ALA 56 Cb 0.09 -1.10 0.29 0.00 0.00 0.00 0.00 19.45 18.73 2p47 n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2p47 h VAL 57 N 0.00 1.27 0.00 0.00 2.07 -1.21 -3.07 116.25 115.31 2p47 h VAL 57 Ca 0.00 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 65.88 2p47 h VAL 57 Cb 0.07 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2p47 h VAL 57 CO 0.00 0.46 0.00 0.00 0.02 0.00 0.00 177.57 178.05 2p47 n SER 59 N -1.22 2.12 0.00 0.00 3.41 -1.16 -5.03 113.62 111.75 2p47 n SER 59 Ca 0.03 -2.13 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 2p47 n SER 59 Cb 0.03 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 2p47 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2p47 n GLN 60 N -0.54 3.59 -1.63 4.33 6.02 -0.33 -4.96 117.38 123.87 2p47 n GLN 60 Ca 0.03 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.58 2p47 n GLN 60 Cb 0.31 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.54 2p47 n GLN 60 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2p47 n LYS 61 N 0.00 2.37 -1.93 -1.09 4.81 -1.21 -4.78 118.16 116.33 2p47 n LYS 61 Ca 0.00 0.80 -0.42 0.00 -0.87 0.00 0.00 58.31 57.81 2p47 n LYS 61 Cb 0.00 -3.02 -0.03 0.00 0.02 0.00 0.00 35.03 32.00 2p47 n LYS 61 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2p47 s ASN 62 N 5.98 6.61 0.45 3.14 3.04 -1.26 -0.70 114.94 132.20 2p47 s ASN 62 Ca 0.95 2.34 0.03 0.00 0.04 0.00 0.00 52.86 56.22 2p47 s ASN 62 Cb -0.45 -2.53 -0.01 0.00 -1.54 0.00 0.00 41.25 36.71 2p47 s ASN 62 CO 0.41 -0.96 0.12 0.68 -3.04 0.00 0.00 177.10 174.32 2p47 s VAL 63 N 4.14 0.59 -0.13 -5.21 -7.23 -0.60 -4.93 120.40 107.03 2p47 s VAL 63 Ca 0.77 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.70 2p47 s VAL 63 Cb -0.36 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 2p47 s VAL 63 CO 0.32 0.00 0.74 0.00 -0.31 0.00 0.00 175.10 175.86 2p47 s ALA 64 N -3.11 3.45 0.65 1.32 0.00 -1.26 -3.44 121.76 119.36 2p47 s ALA 64 Ca 0.17 0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 2p47 s ALA 64 Cb 0.01 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 2p47 s ALA 64 CO 0.12 -0.42 0.91 0.00 0.00 0.00 0.00 175.76 176.37 2p47 h LYS 66 N 0.18 0.00 -0.31 0.00 2.10 -1.91 -2.51 116.57 114.12 2p47 h LYS 66 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2p47 h LYS 66 Cb 1.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.69 2p47 h LYS 66 CO 0.49 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.21 2p47 n ASN 67 N -2.32 2.40 0.00 7.07 6.94 -1.26 -4.95 115.26 123.15 2p47 n ASN 67 Ca 0.01 -1.87 0.00 0.00 -0.02 0.00 0.00 54.58 52.70 2p47 n ASN 67 Cb 0.20 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.41 2p47 n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2p47 n GLY 68 N 1.27 2.33 3.76 4.83 0.00 -0.94 -5.09 105.19 111.34 2p47 n GLY 68 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2p47 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p47 s GLN 69 N -0.24 2.11 -0.01 1.61 -0.21 -1.26 -4.76 119.66 116.90 2p47 s GLN 69 Ca 0.00 1.15 0.04 0.00 0.02 0.00 0.00 55.36 56.57 2p47 s GLN 69 Cb 0.00 -1.88 0.09 0.00 1.00 0.00 0.00 33.01 32.21 2p47 s GLN 69 CO 0.00 -1.74 1.06 0.25 -2.12 0.00 0.00 175.29 172.74 2p47 n THR 70 N -3.59 1.10 -1.38 -0.19 -2.24 -1.26 0.21 114.28 106.93 2p47 n THR 70 Ca 0.09 -1.13 -0.35 0.00 -2.27 0.00 0.00 64.05 60.40 2p47 n THR 70 Cb 0.53 0.42 0.07 0.00 -2.10 0.00 0.00 70.33 69.26 2p47 n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2p47 n ASN 71 N -0.41 7.64 -4.80 3.42 6.94 -1.26 -4.68 115.26 122.11 2p47 n ASN 71 Ca 0.04 -3.76 -0.24 0.00 -0.02 0.00 0.00 54.58 50.60 2p47 n ASN 71 Cb 0.33 -1.00 -0.05 0.00 -2.36 0.00 0.00 39.78 36.70 2p47 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2p47 s TYR 73 N -1.95 0.05 -0.14 0.00 1.51 1.00 -1.55 117.35 116.26 2p47 s TYR 73 Ca 0.32 0.03 -0.06 0.00 -1.01 0.00 0.00 57.07 56.35 2p47 s TYR 73 Cb -0.09 -0.09 -0.04 0.00 -0.11 0.00 0.00 41.96 41.63 2p47 s TYR 73 CO 0.24 -0.03 0.05 -1.14 -1.11 0.00 0.00 175.55 173.56 2p47 s GLN 74 N 0.30 3.60 0.37 -0.62 0.74 0.13 -1.74 119.66 122.43 2p47 s GLN 74 Ca -0.03 -0.33 -0.27 0.00 0.05 0.00 0.00 55.36 54.78 2p47 s GLN 74 Cb -0.04 -3.08 -0.09 0.00 1.10 0.00 0.00 33.01 30.90 2p47 s GLN 74 CO -0.01 0.48 1.19 -1.54 -0.55 0.00 0.00 175.29 174.86 2p47 s SER 75 N -0.21 6.68 0.07 6.67 1.04 -0.65 -3.32 113.70 123.98 2p47 s SER 75 Ca 0.07 2.41 -0.27 0.00 0.48 0.00 0.00 55.95 58.65 2p47 s SER 75 Cb -0.12 -2.62 -0.17 0.00 0.10 0.00 0.00 66.02 63.21 2p47 s SER 75 CO 0.01 -0.57 1.64 0.22 0.98 0.00 0.00 173.24 175.52 2p47 h TYR 76 N 2.97 -0.33 -2.60 5.02 3.20 -1.94 -3.44 116.97 119.85 2p47 h TYR 76 Ca -0.48 -0.01 -0.57 0.00 3.14 0.00 0.00 58.73 60.81 2p47 h TYR 76 Cb 1.23 0.11 -0.09 0.00 1.54 0.00 0.00 36.73 39.52 2p47 h TYR 76 CO 0.56 -0.17 -0.61 -1.12 -1.64 0.00 0.00 178.16 175.18 2p47 s SER 77 N -4.92 5.07 0.69 -2.11 0.01 -1.26 -5.09 113.70 106.09 2p47 s SER 77 Ca -0.15 -0.34 -0.17 0.00 1.31 0.00 0.00 55.95 56.61 2p47 s SER 77 Cb 0.05 -1.17 0.01 0.00 0.21 0.00 0.00 66.02 65.11 2p47 s SER 77 CO 0.64 0.05 1.12 0.35 0.41 0.00 0.00 173.24 175.80 2p47 n THR 78 N -0.50 3.61 -4.32 1.44 -2.24 -1.26 -4.67 114.28 106.34 2p47 n THR 78 Ca -0.08 -0.41 -0.23 0.00 -2.27 0.00 0.00 64.05 61.06 2p47 n THR 78 Cb 0.56 -1.26 -0.12 0.00 -2.10 0.00 0.00 70.33 67.41 2p47 n THR 78 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2p47 s MET 79 N -3.40 1.23 -0.23 -0.78 -1.94 0.24 -4.87 119.30 109.55 2p47 s MET 79 Ca 0.77 -1.32 -0.29 0.00 -1.71 0.00 0.00 55.69 53.14 2p47 s MET 79 Cb -0.36 -1.36 -0.01 0.00 2.01 0.00 0.00 34.83 35.11 2p47 s MET 79 CO 0.46 0.29 1.36 0.45 -0.01 0.00 0.00 175.02 177.57 2p47 s SER 80 N -2.40 6.72 0.22 3.03 0.15 -1.26 -1.67 113.70 118.49 2p47 s SER 80 Ca 0.13 1.49 0.05 0.00 0.70 0.00 0.00 55.95 58.31 2p47 s SER 80 Cb -0.07 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.65 2p47 s SER 80 CO 0.06 -0.99 -0.06 0.27 1.20 0.00 0.00 173.24 173.72 2p47 s ILE 81 N 4.19 1.30 -0.12 6.45 -4.36 -0.28 0.36 121.20 128.74 2p47 s ILE 81 Ca 0.59 -2.09 0.01 0.00 -0.26 0.00 0.00 60.65 58.90 2p47 s ILE 81 Cb -0.20 -2.23 0.02 0.00 1.25 0.00 0.00 42.46 41.29 2p47 s ILE 81 CO 0.21 -0.44 -0.13 -0.89 0.24 0.00 0.00 174.94 173.94 2p47 s THR 82 N -3.24 1.38 -0.22 8.37 2.01 -0.36 -1.21 115.64 122.36 2p47 s THR 82 Ca 0.26 -0.54 -0.20 0.00 0.31 0.00 0.00 61.69 61.52 2p47 s THR 82 Cb 0.04 -1.30 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 2p47 s THR 82 CO 0.08 0.42 0.61 -1.81 -0.69 0.00 0.00 174.62 173.22 2p47 s ASP 83 N 1.32 6.61 -0.27 3.53 1.01 0.12 -1.85 116.67 127.14 2p47 s ASP 83 Ca -0.00 0.74 -0.12 0.00 0.71 0.00 0.00 52.55 53.88 2p47 s ASP 83 Cb -0.14 -2.33 -0.05 0.00 1.01 0.00 0.00 42.92 41.42 2p47 s ASP 83 CO -0.06 -0.30 0.24 0.00 0.21 0.00 0.00 175.17 175.26 2p47 s ARG 85 N 1.77 1.36 0.36 0.00 3.52 -0.84 -2.10 118.95 123.02 2p47 s ARG 85 Ca 0.09 -0.40 -0.28 0.00 -0.13 0.00 0.00 55.73 55.00 2p47 s ARG 85 Cb -0.16 -1.20 -0.11 0.00 -1.56 0.00 0.00 34.95 31.93 2p47 s ARG 85 CO 0.10 0.12 1.41 -1.21 -0.81 0.00 0.00 175.30 174.91 2p47 s GLU 86 N 0.30 4.20 0.88 5.12 2.02 -0.95 0.13 118.70 130.40 2p47 s GLU 86 Ca -0.07 2.42 -0.13 0.00 0.02 0.00 0.00 54.97 57.22 2p47 s GLU 86 Cb -0.11 -3.00 0.15 0.00 0.10 0.00 0.00 34.13 31.26 2p47 s GLU 86 CO 0.02 -0.40 1.24 0.95 0.02 0.00 0.00 175.26 177.09 2p47 s THR 87 N -1.13 2.03 -0.72 3.63 -4.23 -1.07 -4.72 115.64 109.42 2p47 s THR 87 Ca 0.51 -0.06 0.16 0.00 -1.18 0.00 0.00 61.69 61.12 2p47 s THR 87 Cb -0.44 -2.97 0.16 0.00 1.34 0.00 0.00 72.50 70.59 2p47 s THR 87 CO 0.59 0.00 1.50 0.61 -0.54 0.00 0.00 174.62 176.78 2p47 n GLY 88 N -3.51 -1.00 0.93 3.99 0.00 -1.26 -3.56 105.19 100.79 2p47 n GLY 88 Ca 0.13 0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.22 2p47 n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2p47 n SER 89 N -1.84 3.29 -2.67 1.61 3.41 -1.26 -5.03 113.62 111.13 2p47 n SER 89 Ca 0.02 -3.28 0.00 0.00 -0.26 0.00 0.00 58.87 55.34 2p47 n SER 89 Cb 0.15 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 2p47 n SER 89 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2p47 n SER 90 N -0.80 0.00 0.00 4.04 2.88 -1.23 -4.83 113.62 113.68 2p47 n SER 90 Ca 0.25 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2p47 n SER 90 Cb 0.93 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 2p47 n SER 90 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2p47 n LYS 91 N 0.00 0.00 -2.06 -1.46 4.81 -1.23 -4.92 118.16 113.30 2p47 n LYS 91 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 2p47 n LYS 91 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 2p47 n LYS 91 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 2p47 n TYR 92 N -1.70 2.68 -0.11 5.64 9.36 -1.26 -1.73 117.16 130.04 2p47 n TYR 92 Ca 0.00 -2.82 -0.20 0.00 3.32 0.00 0.00 57.90 58.20 2p47 n TYR 92 Cb 0.00 -1.89 -0.09 0.00 -0.63 0.00 0.00 39.34 36.73 2p47 n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2p47 n PRO 93 N 2.40 0.55 -4.05 2.98 -0.05 -1.26 -4.99 135.00 130.58 2p47 n PRO 93 Ca 0.57 0.47 -0.33 0.00 -0.05 0.00 0.00 63.50 64.16 2p47 n PRO 93 Cb 0.28 -1.66 -0.15 0.00 -0.05 0.00 0.00 33.50 31.92 2p47 n PRO 93 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 175.50 174.65 2p47 s ASN 94 N -6.75 4.31 0.01 3.54 0.01 -0.71 -5.10 114.94 110.26 2p47 s ASN 94 Ca -0.29 -1.23 -0.23 0.00 -0.71 0.00 0.00 52.86 50.40 2p47 s ASN 94 Cb 0.07 -1.57 -0.05 0.00 0.41 0.00 0.00 41.25 40.11 2p47 s ASN 94 CO 0.49 -0.17 0.67 0.00 -1.51 0.00 0.00 177.10 176.58 2p47 s ALA 96 N -0.02 2.24 -0.00 0.00 0.00 -1.26 -4.95 121.76 117.77 2p47 s ALA 96 Ca 0.35 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.39 2p47 s ALA 96 Cb -0.19 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 2p47 s ALA 96 CO 0.19 0.30 -0.15 0.71 0.00 0.00 0.00 175.76 176.82 2p47 s TYR 97 N 0.28 1.32 -0.01 0.00 2.02 -1.26 -2.60 117.35 117.10 2p47 s TYR 97 Ca -0.16 -0.27 -0.19 0.00 -0.37 0.00 0.00 57.07 56.08 2p47 s TYR 97 Cb -0.17 -0.84 -0.05 0.00 -0.40 0.00 0.00 41.96 40.49 2p47 s TYR 97 CO 0.08 -0.01 0.55 0.21 -1.57 0.00 0.00 175.55 174.81 2p47 s LYS 98 N -0.49 4.26 -0.15 -0.62 2.47 0.35 -4.51 119.74 121.05 2p47 s LYS 98 Ca 0.05 0.65 -0.06 0.00 -1.56 0.00 0.00 55.97 55.06 2p47 s LYS 98 Cb -0.06 -3.33 -0.04 0.00 -1.46 0.00 0.00 37.83 32.94 2p47 s LYS 98 CO -0.00 0.40 0.05 0.99 0.16 0.00 0.00 175.35 176.95 2p47 s THR 99 N -0.27 4.67 -0.11 3.43 2.01 -1.26 -1.98 115.64 122.13 2p47 s THR 99 Ca 0.29 -0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.19 2p47 s THR 99 Cb -0.18 -3.07 0.04 0.00 0.01 0.00 0.00 72.50 69.30 2p47 s THR 99 CO 0.16 0.51 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.70 2p47 s THR 100 N -0.02 0.57 0.09 -0.82 2.01 -0.76 -4.98 115.64 111.74 2p47 s THR 100 Ca 0.05 -0.16 -0.27 0.00 0.31 0.00 0.00 61.69 61.63 2p47 s THR 100 Cb -0.12 -0.79 -0.06 0.00 0.01 0.00 0.00 72.50 71.53 2p47 s THR 100 CO 0.01 0.16 0.83 -1.58 -0.69 0.00 0.00 174.62 173.34 2p47 s GLN 101 N 1.88 4.58 0.06 4.92 2.00 -1.26 -0.70 119.66 131.13 2p47 s GLN 101 Ca 0.03 1.20 -0.08 0.00 -2.00 0.00 0.00 55.36 54.52 2p47 s GLN 101 Cb -0.14 -3.35 -0.01 0.00 0.80 0.00 0.00 33.01 30.32 2p47 s GLN 101 CO -0.07 0.32 0.15 0.00 -0.50 0.00 0.00 175.29 175.20 2p47 s ALA 102 N -0.26 -0.17 -0.40 1.58 0.00 -0.35 -4.97 121.76 117.19 2p47 s ALA 102 Ca 0.40 -0.55 -0.04 0.00 0.00 0.00 0.00 51.96 51.77 2p47 s ALA 102 Cb -0.22 0.36 0.10 0.00 0.00 0.00 0.00 23.12 23.36 2p47 s ALA 102 CO 0.26 -0.41 0.20 -0.80 0.00 0.00 0.00 175.76 175.01 2p47 s ASN 103 N -2.48 5.30 0.22 0.00 -0.87 -1.26 -1.13 114.94 114.72 2p47 s ASN 103 Ca 0.00 -1.89 0.03 0.00 -1.57 0.00 0.00 52.86 49.43 2p47 s ASN 103 Cb 0.02 -1.85 -0.05 0.00 -0.02 0.00 0.00 41.25 39.35 2p47 s ASN 103 CO -0.07 -0.53 0.00 -0.54 -2.57 0.00 0.00 177.10 173.39 2p47 s LYS 104 N 1.20 1.28 0.25 -0.60 1.02 -0.67 -4.76 119.74 117.46 2p47 s LYS 104 Ca 0.06 -1.64 -0.30 0.00 0.02 0.00 0.00 55.97 54.11 2p47 s LYS 104 Cb -0.23 -0.50 -0.09 0.00 -0.52 0.00 0.00 37.83 36.49 2p47 s LYS 104 CO -0.03 -0.12 0.96 -1.01 -0.92 0.00 0.00 175.35 174.23 2p47 s HIS 105 N -3.50 3.93 0.21 3.18 3.76 -1.26 0.79 115.29 122.39 2p47 s HIS 105 Ca 0.28 1.89 0.05 0.00 -0.15 0.00 0.00 55.06 57.13 2p47 s HIS 105 Cb 0.06 -3.01 -0.03 0.00 1.11 0.00 0.00 32.58 30.71 2p47 s HIS 105 CO 0.08 0.34 0.28 0.96 -0.85 0.00 0.00 174.74 175.55 2p47 s ILE 106 N -1.21 5.02 -0.12 0.60 -4.36 -1.26 -0.17 121.20 119.70 2p47 s ILE 106 Ca 0.42 -1.00 0.01 0.00 -0.26 0.00 0.00 60.65 59.82 2p47 s ILE 106 Cb -0.26 -3.66 0.02 0.00 1.25 0.00 0.00 42.46 39.80 2p47 s ILE 106 CO 0.32 -0.24 -0.15 -0.63 0.24 0.00 0.00 174.94 174.48 2p47 s ILE 107 N -1.92 1.53 0.11 8.37 1.01 -0.07 -1.64 121.20 128.59 2p47 s ILE 107 Ca 0.33 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.40 2p47 s ILE 107 Cb -0.09 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 2p47 s ILE 107 CO 0.27 0.45 -0.14 0.68 0.00 0.00 0.00 174.94 176.20 2p47 s VAL 108 N 1.10 1.29 -0.04 2.92 -7.23 -0.71 0.08 120.40 117.81 2p47 s VAL 108 Ca -0.04 -1.59 -0.15 0.00 -1.81 0.00 0.00 61.98 58.39 2p47 s VAL 108 Cb -0.14 -1.40 -0.05 0.00 0.56 0.00 0.00 36.38 35.34 2p47 s VAL 108 CO -0.04 -0.34 0.41 0.00 -0.31 0.00 0.00 175.10 174.82 2p47 s ALA 109 N -1.84 3.64 0.04 1.32 0.00 -0.42 -0.00 121.76 124.50 2p47 s ALA 109 Ca 0.06 -0.23 0.07 0.00 0.00 0.00 0.00 51.96 51.85 2p47 s ALA 109 Cb -0.07 -2.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 2p47 s ALA 109 CO 0.03 0.34 -0.19 0.00 0.00 0.00 0.00 175.76 175.94 2p47 s GLU 111 N -1.42 0.97 0.00 0.00 2.02 -0.21 -4.89 118.70 115.16 2p47 s GLU 111 Ca 0.14 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.53 2p47 s GLU 111 Cb -0.10 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.55 2p47 s GLU 111 CO 0.05 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 175.39 2p47 n GLY 112 N 0.11 0.49 2.48 -1.39 0.00 -1.26 -1.39 105.19 104.23 2p47 n GLY 112 Ca -0.17 -2.05 -0.28 0.00 0.00 0.00 0.00 46.02 43.51 2p47 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2p47 s ASN 113 N -0.19 2.55 0.43 1.61 3.84 -1.26 -2.35 114.94 119.57 2p47 s ASN 113 Ca 0.00 -2.61 -0.15 0.00 0.21 0.00 0.00 52.86 50.31 2p47 s ASN 113 Cb 0.00 -0.52 -0.08 0.00 -0.55 0.00 0.00 41.25 40.10 2p47 s ASN 113 CO 0.00 -0.25 0.87 -2.16 -2.79 0.00 0.00 177.10 172.77 2p47 s PRO 114 N 0.54 3.95 -0.48 0.43 0.04 -1.26 -5.12 135.00 133.10 2p47 s PRO 114 Ca 0.24 0.78 -0.24 0.00 0.04 0.00 0.00 61.00 61.81 2p47 s PRO 114 Cb -0.13 -2.28 0.03 0.00 0.04 0.00 0.00 34.50 32.16 2p47 s PRO 114 CO -0.07 -0.08 0.88 -0.47 0.04 0.00 0.00 177.00 177.29 2p47 s TYR 115 N -2.36 2.92 0.09 0.56 5.04 -0.99 -4.91 117.35 117.70 2p47 s TYR 115 Ca 0.56 0.21 -0.00 0.00 -2.44 0.00 0.00 57.07 55.40 2p47 s TYR 115 Cb -0.10 -3.88 -0.04 0.00 0.35 0.00 0.00 41.96 38.29 2p47 s TYR 115 CO 0.26 -1.11 -0.02 0.14 -1.34 0.00 0.00 175.55 173.48 2p47 s VAL 116 N 3.62 0.34 0.14 3.14 -7.23 -0.48 -4.84 120.40 115.08 2p47 s VAL 116 Ca 0.33 -1.87 -0.31 0.00 -1.81 0.00 0.00 61.98 58.32 2p47 s VAL 116 Cb -0.11 -1.70 -0.09 0.00 0.56 0.00 0.00 36.38 35.04 2p47 s VAL 116 CO 0.24 -0.83 1.46 -2.84 -0.31 0.00 0.00 175.10 172.82 2p47 s PRO 117 N -3.92 4.28 -0.01 4.82 0.02 -1.26 -1.05 135.00 137.88 2p47 s PRO 117 Ca 0.13 2.20 0.02 0.00 0.02 0.00 0.00 61.00 63.37 2p47 s PRO 117 Cb 0.07 -3.20 -0.03 0.00 0.02 0.00 0.00 34.50 31.36 2p47 s PRO 117 CO -0.06 -0.50 0.04 1.33 -0.33 0.00 0.00 177.00 177.48 2p47 n VAL 118 N 3.86 0.03 -4.47 3.83 0.24 -0.24 -4.48 118.33 117.11 2p47 n VAL 118 Ca 0.12 -0.06 -0.21 0.00 -2.04 0.00 0.00 64.34 62.16 2p47 n VAL 118 Cb 0.41 0.17 -0.15 0.00 -1.47 0.00 0.00 33.84 32.79 2p47 n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2p47 s HIS 119 N -2.13 1.05 -0.27 6.34 5.65 -1.20 -4.62 115.29 120.12 2p47 s HIS 119 Ca -0.01 -0.26 -0.18 0.00 0.25 0.00 0.00 55.06 54.87 2p47 s HIS 119 Cb 0.01 -0.73 -0.03 0.00 -1.18 0.00 0.00 32.58 30.66 2p47 s HIS 119 CO 0.09 -0.09 0.51 0.12 -0.65 0.00 0.00 174.74 174.72 2p47 s PHE 120 N 0.08 3.26 -0.22 3.88 2.19 -1.26 -1.29 117.98 124.61 2p47 s PHE 120 Ca -0.02 0.61 -0.10 0.00 0.33 0.00 0.00 56.93 57.75 2p47 s PHE 120 Cb -0.08 -2.73 -0.18 0.00 -1.31 0.00 0.00 43.02 38.72 2p47 s PHE 120 CO 0.00 -0.29 -0.02 -3.47 1.83 0.00 0.00 175.22 173.27 2p47 n ASP 121 N 5.55 1.98 -3.71 6.13 2.03 0.11 -4.97 116.55 123.68 2p47 n ASP 121 Ca -0.04 0.21 0.02 0.00 0.52 0.00 0.00 54.79 55.50 2p47 n ASP 121 Cb 0.50 -0.77 0.01 0.00 -0.72 0.00 0.00 41.12 40.14 2p47 n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2p47 s ALA 122 N -2.49 -2.33 0.03 -1.67 0.00 -1.06 -4.91 121.76 109.33 2p47 s ALA 122 Ca -0.32 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.01 2p47 s ALA 122 Cb 0.09 0.65 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 2p47 s ALA 122 CO 0.61 -1.10 -0.17 -1.12 0.00 0.00 0.00 175.76 173.97 2p47 s SER 123 N -3.43 2.00 0.00 0.00 0.01 -1.26 -0.89 113.70 110.13 2p47 s SER 123 Ca 0.22 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2p47 s SER 123 Cb 0.02 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.08 2p47 s SER 123 CO -0.02 0.12 0.19 1.33 0.41 0.00 0.00 173.24 175.27