#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aas s GLU 2 N 0.00 2.56 0.89 1.64 2.12 -1.26 -4.97 118.70 119.68 2aas s GLU 2 Ca 0.00 0.58 -0.11 0.00 0.36 0.00 0.00 54.97 55.80 2aas s GLU 2 Cb 0.00 -4.48 0.12 0.00 0.26 0.00 0.00 34.13 30.04 2aas s GLU 2 CO 0.00 -2.87 1.09 0.95 -0.54 0.00 0.00 175.26 173.90 2aas s THR 3 N 9.51 2.70 0.31 -1.70 -4.23 -1.26 -4.86 115.64 116.12 2aas s THR 3 Ca 0.70 0.23 0.04 0.00 -1.18 0.00 0.00 61.69 61.48 2aas s THR 3 Cb -0.12 -2.69 0.30 0.00 1.34 0.00 0.00 72.50 71.32 2aas s THR 3 CO 0.19 -0.30 1.86 0.00 -0.54 0.00 0.00 174.62 175.83 2aas h ALA 4 N -1.54 1.62 -0.49 3.99 0.00 -1.93 -0.65 119.26 120.26 2aas h ALA 4 Ca -0.49 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 2aas h ALA 4 Cb 1.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2aas h ALA 4 CO 0.54 0.16 -0.20 0.00 0.00 0.00 0.00 179.25 179.74 2aas h ALA 5 N 1.55 0.71 -0.52 0.00 0.00 -1.78 -2.35 119.26 116.88 2aas h ALA 5 Ca 0.46 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2aas h ALA 5 Cb 0.51 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2aas h ALA 5 CO -0.23 0.67 0.12 0.00 0.00 0.00 0.00 179.25 179.81 2aas h ALA 6 N 0.90 1.23 -0.58 0.00 0.00 -1.58 -1.98 119.26 117.25 2aas h ALA 6 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2aas h ALA 6 Cb 0.78 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2aas h ALA 6 CO 0.06 0.53 0.28 -0.22 0.00 0.00 0.00 179.25 179.91 2aas h LYS 7 N 0.77 0.83 0.00 0.00 3.64 -0.74 0.01 116.57 121.08 2aas h LYS 7 Ca 0.17 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2aas h LYS 7 Cb 0.30 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 2aas h LYS 7 CO -0.00 0.67 -0.26 0.35 -2.27 0.00 0.00 179.45 177.94 2aas h PHE 8 N 0.79 -0.71 -0.43 1.91 3.04 -1.10 -1.23 116.94 119.20 2aas h PHE 8 Ca 0.20 0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.26 2aas h PHE 8 Cb 0.11 0.31 -0.08 0.00 2.56 0.00 0.00 35.95 38.86 2aas h PHE 8 CO -0.00 -0.36 -0.07 0.93 -2.02 0.00 0.00 178.31 176.79 2aas h GLU 9 N -0.40 0.03 0.20 1.11 5.08 -1.04 0.15 114.58 119.71 2aas h GLU 9 Ca 0.06 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2aas h GLU 9 Cb 0.49 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2aas h GLU 9 CO -0.23 0.02 -0.10 -0.09 -1.00 0.00 0.00 179.01 177.61 2aas h ARG 10 N 0.03 -0.27 -0.12 2.33 2.43 -0.76 -0.63 114.38 117.40 2aas h ARG 10 Ca 0.21 0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.24 2aas h ARG 10 Cb 0.32 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2aas h ARG 10 CO -0.42 -0.18 -0.60 1.96 -1.51 0.00 0.00 179.97 179.22 2aas h GLN 11 N -0.28 0.40 0.00 0.20 4.20 -0.75 -3.40 115.11 115.48 2aas h GLN 11 Ca -0.02 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.37 2aas h GLN 11 Cb 0.22 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2aas h GLN 11 CO 0.04 0.88 -1.18 0.72 -0.67 0.00 0.00 178.83 178.62 2aas n HIS 12 N -3.90 0.00 -3.04 2.96 8.25 0.50 -4.50 115.22 115.49 2aas n HIS 12 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 2aas n HIS 12 Cb 0.63 -0.12 -0.05 0.00 1.12 0.00 0.00 29.99 31.56 2aas n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2aas s MET 13 N -2.06 4.23 -0.29 -0.41 -1.94 -0.25 0.83 119.30 119.41 2aas s MET 13 Ca -0.03 0.76 0.15 0.00 -1.71 0.00 0.00 55.69 54.85 2aas s MET 13 Cb 0.01 -3.58 0.48 0.00 2.01 0.00 0.00 34.83 33.75 2aas s MET 13 CO 0.08 -0.29 1.13 -0.25 -0.01 0.00 0.00 175.02 175.68 2aas n ASP 14 N 5.17 3.18 0.25 3.03 9.92 -0.20 -4.91 116.55 132.99 2aas n ASP 14 Ca 0.01 -2.93 0.12 0.00 -0.53 0.00 0.00 54.79 51.46 2aas n ASP 14 Cb 0.49 -0.43 0.76 0.00 -0.64 0.00 0.00 41.12 41.31 2aas n ASP 14 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 2aas h SER 15 N 2.47 0.00 0.31 -2.24 4.64 -1.74 -0.41 113.55 116.58 2aas h SER 15 Ca 0.11 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2aas h SER 15 Cb 1.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 2aas h SER 15 CO 0.50 0.00 -0.26 -1.28 -0.87 0.00 0.00 176.83 174.92 2aas h SER 16 N 0.00 0.00 -3.68 4.97 0.87 -1.91 -3.44 113.55 110.37 2aas h SER 16 Ca 0.03 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 59.91 2aas h SER 16 Cb 0.12 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 61.82 2aas h SER 16 CO -0.00 0.26 -0.78 0.42 -0.53 0.00 0.00 176.83 176.20 2aas s THR 17 N -4.36 2.97 0.05 2.23 -4.23 -0.16 -5.04 115.64 107.10 2aas s THR 17 Ca -0.03 -0.72 0.12 0.00 -1.18 0.00 0.00 61.69 59.88 2aas s THR 17 Cb 0.15 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.75 2aas s THR 17 CO 0.69 0.56 1.45 0.77 -0.54 0.00 0.00 174.62 177.55 2aas h SER 18 N 6.07 0.00 -4.60 3.99 4.64 -1.85 -3.44 113.55 118.37 2aas h SER 18 Ca -0.35 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.01 2aas h SER 18 Cb 1.18 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.09 2aas h SER 18 CO 0.53 0.68 0.40 0.00 -0.87 0.00 0.00 176.83 177.56 2aas s ALA 19 N -3.05 -1.82 -0.73 5.18 0.00 -1.26 -4.83 121.76 115.25 2aas s ALA 19 Ca 0.02 1.22 -0.26 0.00 0.00 0.00 0.00 51.96 52.94 2aas s ALA 19 Cb 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2aas s ALA 19 CO 0.76 -0.49 1.93 0.00 0.00 0.00 0.00 175.76 177.97 2aas s ALA 20 N -2.03 1.90 -1.73 0.00 0.00 -1.26 -4.85 121.76 113.79 2aas s ALA 20 Ca -0.02 -0.98 0.19 0.00 0.00 0.00 0.00 51.96 51.15 2aas s ALA 20 Cb -0.01 -4.42 1.05 0.00 0.00 0.00 0.00 23.12 19.75 2aas s ALA 20 CO -0.01 -4.35 1.56 -1.13 0.00 0.00 0.00 175.76 171.82 2aas n SER 21 N 13.54 0.00 -3.86 0.00 3.41 -1.26 -4.59 113.62 120.85 2aas n SER 21 Ca 0.30 -0.31 -0.11 0.00 -0.26 0.00 0.00 58.87 58.48 2aas n SER 21 Cb 0.50 -0.13 -0.11 0.00 -0.26 0.00 0.00 64.21 64.20 2aas n SER 21 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2aas s SER 22 N -2.27 -0.02 0.37 4.04 0.15 -1.26 -5.02 113.70 109.70 2aas s SER 22 Ca 0.24 -0.04 0.21 0.00 0.70 0.00 0.00 55.95 57.06 2aas s SER 22 Cb 0.13 0.23 1.17 0.00 -1.71 0.00 0.00 66.02 65.84 2aas s SER 22 CO 0.25 -0.24 1.63 0.77 1.20 0.00 0.00 173.24 176.85 2aas h SER 23 N 4.97 0.00 0.00 5.45 4.64 -1.85 -1.45 113.55 125.31 2aas h SER 23 Ca -0.29 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.99 2aas h SER 23 Cb 1.20 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.20 2aas h SER 23 CO 0.41 0.00 -0.51 0.59 -0.87 0.00 0.00 176.83 176.45 2aas n ASN 24 N -2.30 1.48 -0.12 4.97 4.13 -1.26 -1.80 115.26 120.36 2aas n ASN 24 Ca -0.01 -3.05 -0.05 0.00 1.68 0.00 0.00 54.58 53.15 2aas n ASN 24 Cb 0.15 -0.41 0.03 0.00 -1.54 0.00 0.00 39.78 38.00 2aas n ASN 24 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2aas h TYR 25 N 0.65 0.02 -0.19 3.10 3.20 -1.59 -2.17 116.97 120.00 2aas h TYR 25 Ca -0.05 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.90 2aas h TYR 25 Cb 1.26 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.57 2aas h TYR 25 CO 0.38 -0.05 0.18 0.00 -1.64 0.00 0.00 178.16 177.02 2aas h ASN 27 N 0.00 -0.36 0.13 0.00 4.21 -1.63 0.50 115.58 118.43 2aas h ASN 27 Ca 0.09 0.13 -0.25 0.00 1.21 0.00 0.00 56.30 57.48 2aas h ASN 27 Cb 0.44 0.26 0.01 0.00 -1.12 0.00 0.00 38.32 37.91 2aas h ASN 27 CO -0.00 -0.13 -1.22 -0.61 -1.29 0.00 0.00 177.43 174.18 2aas h GLN 28 N 0.03 0.28 -0.73 0.81 -0.00 -1.70 -3.37 115.11 110.42 2aas h GLN 28 Ca 0.22 -0.48 -0.04 0.00 -0.00 0.00 0.00 58.65 58.35 2aas h GLN 28 Cb 0.34 0.18 -0.03 0.00 0.00 0.00 0.00 27.48 27.96 2aas h GLN 28 CO -0.44 1.23 0.29 1.98 0.00 0.00 0.00 178.83 181.88 2aas h MET 29 N -0.30 1.09 -0.06 1.69 4.05 -1.26 -0.94 114.93 119.21 2aas h MET 29 Ca -0.25 -0.20 0.02 0.00 -0.28 0.00 0.00 59.70 58.99 2aas h MET 29 Cb 1.75 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 32.37 2aas h MET 29 CO 0.10 0.90 0.07 0.52 0.23 0.00 0.00 176.91 178.74 2aas h MET 30 N 1.05 0.00 0.03 0.39 2.86 -1.11 -1.83 114.93 116.32 2aas h MET 30 Ca 0.24 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.62 2aas h MET 30 Cb 0.22 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 2aas h MET 30 CO -0.02 0.00 -1.40 -0.22 1.06 0.00 0.00 176.91 176.33 2aas h LYS 31 N 0.00 0.06 -0.69 1.72 3.64 -1.42 -2.02 116.57 117.87 2aas h LYS 31 Ca 0.03 -0.10 0.10 0.00 -1.27 0.00 0.00 60.65 59.40 2aas h LYS 31 Cb 0.17 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 2aas h LYS 31 CO -0.00 1.05 0.31 0.77 -2.27 0.00 0.00 179.45 179.31 2aas h SER 32 N -0.77 0.37 -3.51 4.20 0.02 -0.97 -3.10 113.55 109.78 2aas h SER 32 Ca -0.36 0.07 -0.59 0.00 -0.84 0.00 0.00 61.79 60.07 2aas h SER 32 Cb 1.46 0.02 -0.10 0.00 0.14 0.00 0.00 62.40 63.92 2aas h SER 32 CO -0.14 0.20 0.67 -0.13 -1.14 0.00 0.00 176.83 176.29 2aas s ARG 33 N -6.06 3.51 0.00 3.45 1.81 -0.71 -4.94 118.95 116.00 2aas s ARG 33 Ca -0.13 0.12 0.00 0.00 -1.72 0.00 0.00 55.73 54.01 2aas s ARG 33 Cb 0.18 -3.96 0.00 0.00 -0.45 0.00 0.00 34.95 30.72 2aas s ARG 33 CO 0.76 -1.36 0.00 0.27 -0.68 0.00 0.00 175.30 174.29 2aas n ASN 34 N 7.47 0.00 0.21 0.23 6.94 -1.17 -4.17 115.26 124.77 2aas n ASN 34 Ca 0.06 0.00 -0.15 0.00 -0.02 0.00 0.00 54.58 54.47 2aas n ASN 34 Cb 0.48 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.82 2aas n ASN 34 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2aas h LEU 35 N 0.88 -0.42 -0.00 -4.53 3.38 -1.78 -2.91 115.31 109.92 2aas h LEU 35 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2aas h LEU 35 Cb 0.00 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2aas h LEU 35 CO 0.00 -0.22 -0.03 0.35 0.09 0.00 0.00 178.44 178.63 2aas n THR 36 N -5.26 0.00 0.76 0.22 -2.24 -0.76 -2.72 114.28 104.28 2aas n THR 36 Ca -0.11 -0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.76 2aas n THR 36 Cb 0.24 -0.45 0.42 0.00 -2.10 0.00 0.00 70.33 68.45 2aas n THR 36 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2aas n LYS 37 N -1.47 0.16 -0.08 -0.78 5.02 -1.10 -3.21 118.16 116.70 2aas n LYS 37 Ca 0.08 0.15 -0.08 0.00 -2.02 0.00 0.00 58.31 56.43 2aas n LYS 37 Cb 0.33 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 2aas n LYS 37 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2aas n ASP 38 N -1.37 1.85 -3.55 4.39 8.00 -1.10 -5.01 116.55 119.77 2aas n ASP 38 Ca 0.07 0.31 -0.13 0.00 0.71 0.00 0.00 54.79 55.75 2aas n ASP 38 Cb 0.17 -0.72 -0.04 0.00 -0.02 0.00 0.00 41.12 40.50 2aas n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aas s ARG 39 N -2.82 1.10 -0.55 -1.24 1.04 -1.19 -5.10 118.95 110.20 2aas s ARG 39 Ca -0.27 -0.34 -0.26 0.00 -1.04 0.00 0.00 55.73 53.81 2aas s ARG 39 Cb 0.04 0.50 -0.05 0.00 -2.04 0.00 0.00 34.95 33.39 2aas s ARG 39 CO 0.40 -0.42 2.20 0.00 -0.04 0.00 0.00 175.30 177.45 2aas s LYS 41 N 7.83 4.22 0.21 0.00 2.20 -1.26 -4.94 119.74 127.99 2aas s LYS 41 Ca 0.86 1.91 -0.09 0.00 -0.36 0.00 0.00 55.97 58.28 2aas s LYS 41 Cb -0.15 -3.81 0.27 0.00 -1.51 0.00 0.00 37.83 32.62 2aas s LYS 41 CO 0.23 -0.73 1.76 -1.35 -0.36 0.00 0.00 175.35 174.90 2aas h PRO 42 N 8.62 0.46 -3.94 4.03 0.11 -1.96 -3.43 132.00 135.88 2aas h PRO 42 Ca -0.33 -0.03 -0.30 0.00 0.11 0.00 0.00 66.00 65.45 2aas h PRO 42 Cb 1.14 -0.10 -0.30 0.00 0.11 0.00 0.00 31.00 31.85 2aas h PRO 42 CO 0.95 0.30 -0.74 0.54 -0.21 0.00 0.00 178.00 178.84 2aas s VAL 43 N -6.09 0.21 0.00 3.15 0.11 -1.26 -0.65 120.40 115.87 2aas s VAL 43 Ca -0.13 -0.06 -0.10 0.00 -2.93 0.00 0.00 61.98 58.77 2aas s VAL 43 Cb 0.17 -0.22 0.01 0.00 -1.53 0.00 0.00 36.38 34.81 2aas s VAL 43 CO 0.75 0.09 0.20 0.21 -3.33 0.00 0.00 175.10 173.02 2aas s ASN 44 N 0.28 -0.05 -0.12 3.54 3.84 0.10 -5.03 114.94 117.50 2aas s ASN 44 Ca -0.03 -0.13 0.01 0.00 0.21 0.00 0.00 52.86 52.92 2aas s ASN 44 Cb -0.05 0.25 0.02 0.00 -0.55 0.00 0.00 41.25 40.92 2aas s ASN 44 CO -0.01 -0.42 -0.13 -0.89 -2.79 0.00 0.00 177.10 172.87 2aas s THR 45 N -1.51 1.39 0.20 -5.21 2.01 -1.26 -0.13 115.64 111.14 2aas s THR 45 Ca -0.13 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 61.28 2aas s THR 45 Cb -0.06 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 2aas s THR 45 CO 0.02 0.43 0.44 -0.36 -0.69 0.00 0.00 174.62 174.45 2aas s PHE 46 N 1.34 3.47 -0.26 4.92 0.08 0.90 -4.33 117.98 124.11 2aas s PHE 46 Ca 0.00 0.55 0.01 0.00 0.12 0.00 0.00 56.93 57.61 2aas s PHE 46 Cb -0.14 -2.01 0.07 0.00 -0.57 0.00 0.00 43.02 40.37 2aas s PHE 46 CO -0.07 0.35 -0.03 0.08 -0.10 0.00 0.00 175.22 175.45 2aas s VAL 47 N -1.82 1.60 -0.55 -0.44 1.01 0.24 0.35 120.40 120.79 2aas s VAL 47 Ca 0.42 -1.41 -0.06 0.00 0.00 0.00 0.00 61.98 60.93 2aas s VAL 47 Cb -0.11 -1.93 -0.08 0.00 0.00 0.00 0.00 36.38 34.25 2aas s VAL 47 CO 0.27 -0.22 3.09 1.41 0.00 0.00 0.00 175.10 179.65 2aas n HIS 48 N 4.62 1.21 -4.28 5.22 8.25 0.25 -1.03 115.22 129.45 2aas n HIS 48 Ca -0.09 -2.04 -0.15 0.00 -0.26 0.00 0.00 57.72 55.17 2aas n HIS 48 Cb 0.43 -1.69 -0.10 0.00 1.12 0.00 0.00 29.99 29.76 2aas n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2aas s GLU 49 N -0.01 1.22 0.59 -0.41 0.41 -1.26 -4.66 118.70 114.57 2aas s GLU 49 Ca 0.63 -1.61 -0.16 0.00 -0.41 0.00 0.00 54.97 53.42 2aas s GLU 49 Cb 0.30 -0.38 -0.04 0.00 -1.78 0.00 0.00 34.13 32.23 2aas s GLU 49 CO -0.10 -0.14 1.06 -1.54 -0.49 0.00 0.00 175.26 174.05 2aas s SER 50 N -3.23 5.82 0.14 -0.19 1.04 -1.26 -3.56 113.70 112.45 2aas s SER 50 Ca 0.27 1.82 -0.18 0.00 0.48 0.00 0.00 55.95 58.35 2aas s SER 50 Cb 0.06 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.66 2aas s SER 50 CO 0.07 -1.14 1.75 0.25 0.98 0.00 0.00 173.24 175.15 2aas h LEU 51 N 0.50 0.12 -0.91 2.42 5.85 -1.99 -2.25 115.31 119.04 2aas h LEU 51 Ca -0.47 0.03 0.17 0.00 0.84 0.00 0.00 57.88 58.45 2aas h LEU 51 Cb 1.22 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 42.16 2aas h LEU 51 CO 0.58 0.10 0.49 0.00 -0.34 0.00 0.00 178.44 179.27 2aas h ALA 52 N 1.18 1.42 -0.56 1.25 0.00 -1.99 0.35 119.26 120.92 2aas h ALA 52 Ca 0.13 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 2aas h ALA 52 Cb 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2aas h ALA 52 CO -0.13 -0.10 -0.08 0.22 0.00 0.00 0.00 179.25 179.17 2aas h ASP 53 N 0.65 1.03 0.62 0.00 3.58 -1.85 -2.77 116.42 117.69 2aas h ASP 53 Ca 0.51 -0.33 -0.19 0.00 0.42 0.00 0.00 57.03 57.44 2aas h ASP 53 Cb 0.77 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 2aas h ASP 53 CO -0.38 1.12 -0.86 0.58 -2.88 0.00 0.00 179.24 176.82 2aas h VAL 54 N 0.93 1.51 -0.39 2.25 2.07 -0.44 -3.13 116.25 119.05 2aas h VAL 54 Ca 0.15 -2.63 0.08 0.00 0.82 0.00 0.00 66.70 65.11 2aas h VAL 54 Cb 0.64 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 2aas h VAL 54 CO 0.04 0.76 0.27 1.56 0.02 0.00 0.00 177.57 180.22 2aas h GLN 55 N 0.09 0.17 -0.63 1.57 4.20 -0.26 -0.85 115.11 119.41 2aas h GLN 55 Ca -0.04 -0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.83 2aas h GLN 55 Cb 1.48 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 29.19 2aas h GLN 55 CO 0.13 0.11 0.44 0.00 -0.67 0.00 0.00 178.83 178.84 2aas h ALA 56 N 1.80 2.43 0.00 3.87 0.00 -1.43 -2.19 119.26 123.74 2aas h ALA 56 Ca 0.18 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 2aas h ALA 56 Cb 0.47 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2aas h ALA 56 CO -0.03 -0.60 -0.57 0.28 0.00 0.00 0.00 179.25 178.33 2aas h VAL 57 N 0.12 1.35 0.00 0.00 2.07 -1.30 -2.49 116.25 116.00 2aas h VAL 57 Ca 0.30 -1.99 -0.01 0.00 0.82 0.00 0.00 66.70 65.82 2aas h VAL 57 Cb 1.04 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.89 2aas h VAL 57 CO -0.04 0.56 -0.06 0.00 0.02 0.00 0.00 177.57 178.06 2aas n SER 59 N -3.59 4.78 -0.68 0.00 7.64 -0.94 -4.93 113.62 115.90 2aas n SER 59 Ca -0.02 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.29 2aas n SER 59 Cb 0.17 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 2aas n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aas n GLN 60 N 0.89 2.81 -2.13 1.43 6.02 -0.57 -5.04 117.38 120.79 2aas n GLN 60 Ca 0.25 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.81 2aas n GLN 60 Cb 0.94 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 32.17 2aas n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2aas s LYS 61 N 0.66 4.23 0.26 -1.09 2.36 -1.22 -4.72 119.74 120.22 2aas s LYS 61 Ca 0.00 2.07 -0.30 0.00 -2.55 0.00 0.00 55.97 55.19 2aas s LYS 61 Cb 0.00 -3.70 -0.10 0.00 -1.05 0.00 0.00 37.83 32.98 2aas s LYS 61 CO 0.00 -0.69 1.36 1.21 1.55 0.00 0.00 175.35 178.78 2aas s ASN 62 N 2.38 6.77 0.25 1.43 3.84 -1.26 -1.06 114.94 127.28 2aas s ASN 62 Ca 0.67 2.59 0.02 0.00 0.21 0.00 0.00 52.86 56.35 2aas s ASN 62 Cb -0.33 -2.63 -0.04 0.00 -0.55 0.00 0.00 41.25 37.71 2aas s ASN 62 CO 0.27 -0.59 0.18 0.68 -2.79 0.00 0.00 177.10 174.85 2aas s VAL 63 N -0.29 0.05 -0.12 -5.21 -7.23 0.96 -4.93 120.40 103.63 2aas s VAL 63 Ca 0.55 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.66 2aas s VAL 63 Cb -0.39 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 2aas s VAL 63 CO 0.44 0.00 0.11 0.00 -0.31 0.00 0.00 175.10 175.34 2aas s ALA 64 N -3.87 3.74 0.52 1.32 0.00 -1.26 -1.95 121.76 120.26 2aas s ALA 64 Ca 0.39 -0.68 -0.19 0.00 0.00 0.00 0.00 51.96 51.48 2aas s ALA 64 Cb 0.05 -1.88 -0.07 0.00 0.00 0.00 0.00 23.12 21.22 2aas s ALA 64 CO 0.17 0.57 1.06 0.00 0.00 0.00 0.00 175.76 177.57 2aas n LYS 66 N -1.21 -0.06 -0.00 0.00 5.02 -1.26 0.10 118.16 120.75 2aas n LYS 66 Ca 0.10 1.15 0.15 0.00 -2.02 0.00 0.00 58.31 57.69 2aas n LYS 66 Cb 0.52 -1.92 0.87 0.00 -0.02 0.00 0.00 35.03 34.48 2aas n LYS 66 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2aas n ASN 67 N -5.00 0.10 0.00 4.39 6.94 -1.26 -4.93 115.26 115.51 2aas n ASN 67 Ca 0.23 -1.09 0.00 0.00 -0.02 0.00 0.00 54.58 53.70 2aas n ASN 67 Cb 0.76 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.18 2aas n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2aas n GLY 68 N 0.98 0.80 3.75 4.83 0.00 0.11 -5.07 105.19 110.60 2aas n GLY 68 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 2aas n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aas s GLN 69 N -0.87 4.77 -0.07 1.61 1.11 -1.23 -4.76 119.66 120.22 2aas s GLN 69 Ca 0.00 1.59 0.04 0.00 0.01 0.00 0.00 55.36 57.00 2aas s GLN 69 Cb 0.00 -3.26 0.24 0.00 -1.01 0.00 0.00 33.01 28.98 2aas s GLN 69 CO 0.00 0.38 0.88 0.25 0.01 0.00 0.00 175.29 176.81 2aas n THR 70 N 1.57 0.84 -2.57 -0.19 -2.24 -1.26 -0.10 114.28 110.32 2aas n THR 70 Ca -0.01 -0.42 -0.26 0.00 -2.27 0.00 0.00 64.05 61.10 2aas n THR 70 Cb 0.46 -0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 68.24 2aas n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2aas n ASN 71 N 0.18 4.39 -4.25 3.42 0.23 -1.25 -4.71 115.26 113.27 2aas n ASN 71 Ca 0.08 -3.63 -0.22 0.00 -0.53 0.00 0.00 54.58 50.28 2aas n ASN 71 Cb 0.54 -0.48 -0.12 0.00 -2.08 0.00 0.00 39.78 37.64 2aas n ASN 71 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2aas s TYR 73 N -1.34 0.13 0.08 0.00 2.02 0.10 -0.03 117.35 118.31 2aas s TYR 73 Ca 0.05 -0.13 0.05 0.00 -0.37 0.00 0.00 57.07 56.66 2aas s TYR 73 Cb -0.09 -0.08 -0.04 0.00 -0.40 0.00 0.00 41.96 41.34 2aas s TYR 73 CO 0.04 -0.04 -0.01 -1.14 -1.57 0.00 0.00 175.55 172.82 2aas s GLN 74 N -0.36 2.53 0.30 -0.62 0.74 -0.23 -1.54 119.66 120.47 2aas s GLN 74 Ca -0.03 -0.84 -0.11 0.00 0.05 0.00 0.00 55.36 54.43 2aas s GLN 74 Cb -0.03 -2.53 -0.07 0.00 1.10 0.00 0.00 33.01 31.48 2aas s GLN 74 CO -0.00 0.54 0.65 -1.54 -0.55 0.00 0.00 175.29 174.39 2aas s SER 75 N -2.23 6.64 0.00 6.67 1.04 -0.38 -3.39 113.70 122.05 2aas s SER 75 Ca 0.25 1.05 0.29 0.00 0.48 0.00 0.00 55.95 58.02 2aas s SER 75 Cb -0.12 -2.28 1.21 0.00 0.10 0.00 0.00 66.02 64.94 2aas s SER 75 CO 0.17 -0.19 1.84 -1.22 0.98 0.00 0.00 173.24 174.82 2aas n TYR 76 N -0.51 0.00 -4.06 5.02 4.01 -1.26 -4.65 117.16 115.71 2aas n TYR 76 Ca 0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.61 2aas n TYR 76 Cb 0.53 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.50 2aas n TYR 76 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2aas n SER 77 N -0.20 -1.17 -4.81 7.72 2.88 -1.26 -5.10 113.62 111.67 2aas n SER 77 Ca 0.19 -2.80 -0.38 0.00 -1.33 0.00 0.00 58.87 54.55 2aas n SER 77 Cb 0.30 2.24 -0.06 0.00 -0.75 0.00 0.00 64.21 65.94 2aas n SER 77 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2aas s THR 78 N -2.86 4.82 0.12 2.46 -4.23 -1.26 -4.42 115.64 110.27 2aas s THR 78 Ca 0.28 1.12 0.09 0.00 -1.18 0.00 0.00 61.69 62.01 2aas s THR 78 Cb -0.00 -3.85 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 2aas s THR 78 CO 0.20 0.55 -0.24 -0.04 -0.54 0.00 0.00 174.62 174.56 2aas s MET 79 N -1.05 1.25 -0.58 3.99 -1.94 0.08 -4.83 119.30 116.22 2aas s MET 79 Ca 0.28 -1.25 -0.27 0.00 -1.71 0.00 0.00 55.69 52.73 2aas s MET 79 Cb -0.19 -1.62 -0.00 0.00 2.01 0.00 0.00 34.83 35.03 2aas s MET 79 CO 0.17 0.38 1.64 0.45 -0.01 0.00 0.00 175.02 177.65 2aas s SER 80 N -2.00 5.73 -0.03 3.03 0.15 -1.26 -2.33 113.70 116.99 2aas s SER 80 Ca 0.10 0.34 0.07 0.00 0.70 0.00 0.00 55.95 57.16 2aas s SER 80 Cb -0.10 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.65 2aas s SER 80 CO 0.05 -2.02 -0.25 0.27 1.20 0.00 0.00 173.24 172.50 2aas s ILE 81 N 7.43 2.15 -0.48 6.45 -5.25 0.36 -0.59 121.20 131.27 2aas s ILE 81 Ca 0.60 -1.06 -0.05 0.00 -0.99 0.00 0.00 60.65 59.14 2aas s ILE 81 Cb -0.13 -1.76 0.13 0.00 2.95 0.00 0.00 42.46 43.65 2aas s ILE 81 CO 0.23 0.58 0.31 -0.89 -1.79 0.00 0.00 174.94 173.38 2aas s THR 82 N -0.51 3.72 -0.16 8.37 2.01 0.16 -0.37 115.64 128.86 2aas s THR 82 Ca 0.07 -2.17 -0.26 0.00 0.31 0.00 0.00 61.69 59.64 2aas s THR 82 Cb -0.11 -3.49 -0.01 0.00 0.01 0.00 0.00 72.50 68.90 2aas s THR 82 CO 0.00 -0.77 0.88 -1.81 -0.69 0.00 0.00 174.62 172.24 2aas s ASP 83 N 1.87 7.03 -0.08 3.53 1.01 0.12 -0.07 116.67 130.10 2aas s ASP 83 Ca 0.09 1.27 0.01 0.00 0.71 0.00 0.00 52.55 54.64 2aas s ASP 83 Cb -0.23 -2.48 0.02 0.00 1.01 0.00 0.00 42.92 41.24 2aas s ASP 83 CO -0.03 -0.42 -0.09 0.00 0.21 0.00 0.00 175.17 174.84 2aas s ARG 85 N 1.07 1.39 0.34 0.00 6.06 -0.30 -0.72 118.95 126.78 2aas s ARG 85 Ca -0.07 -0.46 -0.29 0.00 -2.50 0.00 0.00 55.73 52.41 2aas s ARG 85 Cb -0.14 -1.24 -0.11 0.00 0.06 0.00 0.00 34.95 33.51 2aas s ARG 85 CO -0.01 0.18 1.51 -2.00 -2.50 0.00 0.00 175.30 172.48 2aas s GLU 86 N 0.12 4.14 0.26 5.12 2.56 0.18 0.21 118.70 131.29 2aas s GLU 86 Ca -0.04 2.54 0.06 0.00 0.00 0.00 0.00 54.97 57.53 2aas s GLU 86 Cb -0.10 -3.00 -0.03 0.00 2.00 0.00 0.00 34.13 33.00 2aas s GLU 86 CO 0.01 -0.54 0.32 0.95 -0.56 0.00 0.00 175.26 175.44 2aas s THR 87 N -0.64 4.72 0.56 -1.70 -4.23 -0.28 -4.79 115.64 109.27 2aas s THR 87 Ca 0.57 -1.15 0.26 0.00 -1.18 0.00 0.00 61.69 60.19 2aas s THR 87 Cb -0.46 -3.61 0.38 0.00 1.34 0.00 0.00 72.50 70.15 2aas s THR 87 CO 0.56 -0.30 2.02 1.23 -0.54 0.00 0.00 174.62 177.58 2aas h GLY 88 N 1.24 0.00 -3.72 3.99 0.00 -1.97 -2.64 103.07 99.97 2aas h GLY 88 Ca -0.50 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.34 2aas h GLY 88 CO 0.60 0.00 0.64 -1.14 0.00 0.00 0.00 176.54 176.64 2aas n SER 89 N -4.11 6.22 -4.52 0.19 3.41 -1.26 -4.94 113.62 108.61 2aas n SER 89 Ca 0.06 -3.43 -0.43 0.00 -0.26 0.00 0.00 58.87 54.82 2aas n SER 89 Cb 0.51 -0.95 -0.04 0.00 -0.26 0.00 0.00 64.21 63.48 2aas n SER 89 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2aas s SER 90 N -0.94 6.30 -0.16 4.04 1.04 -1.00 -4.15 113.70 118.83 2aas s SER 90 Ca 0.49 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.50 2aas s SER 90 Cb 0.39 -2.47 -0.00 0.00 0.10 0.00 0.00 66.02 64.04 2aas s SER 90 CO 0.02 -1.40 -0.15 -1.59 0.98 0.00 0.00 173.24 171.10 2aas s LYS 91 N 4.39 3.21 0.30 4.02 -2.85 -1.26 -4.87 119.74 122.67 2aas s LYS 91 Ca 0.31 -0.75 -0.30 0.00 -1.00 0.00 0.00 55.97 54.23 2aas s LYS 91 Cb -0.12 -2.64 -0.12 0.00 -2.06 0.00 0.00 37.83 32.90 2aas s LYS 91 CO 0.18 -0.00 1.60 0.98 0.10 0.00 0.00 175.35 178.20 2aas n TYR 92 N 4.12 2.87 0.04 1.78 9.36 -1.26 -0.69 117.16 133.38 2aas n TYR 92 Ca -0.19 0.25 0.10 0.00 3.32 0.00 0.00 57.90 61.38 2aas n TYR 92 Cb 0.52 -2.60 0.27 0.00 -0.63 0.00 0.00 39.34 36.90 2aas n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2aas n PRO 93 N 2.14 2.48 -3.24 2.98 -0.04 -1.26 -4.94 135.00 133.11 2aas n PRO 93 Ca 0.08 -2.20 -0.36 0.00 -0.04 0.00 0.00 63.50 60.98 2aas n PRO 93 Cb 0.37 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 2aas n PRO 93 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2aas n ASN 94 N 1.25 5.16 -4.86 3.54 6.94 0.13 -4.44 115.26 122.99 2aas n ASN 94 Ca 0.20 -3.38 -0.30 0.00 -0.02 0.00 0.00 54.58 51.08 2aas n ASN 94 Cb 0.53 -1.03 0.05 0.00 -2.36 0.00 0.00 39.78 36.98 2aas n ASN 94 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2aas s ALA 96 N -3.25 2.42 0.09 0.00 0.00 -1.26 -4.56 121.76 115.20 2aas s ALA 96 Ca 0.58 -0.93 0.08 0.00 0.00 0.00 0.00 51.96 51.69 2aas s ALA 96 Cb -0.12 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 2aas s ALA 96 CO 0.53 0.27 -0.20 0.71 0.00 0.00 0.00 175.76 177.07 2aas s TYR 97 N 0.35 1.71 -0.49 0.00 1.51 -1.26 -1.13 117.35 118.04 2aas s TYR 97 Ca -0.14 -0.42 -0.20 0.00 -1.01 0.00 0.00 57.07 55.29 2aas s TYR 97 Cb -0.17 -0.95 0.04 0.00 -0.11 0.00 0.00 41.96 40.78 2aas s TYR 97 CO 0.07 0.17 0.67 0.21 -1.11 0.00 0.00 175.55 175.56 2aas s LYS 98 N -1.81 3.21 -0.13 -0.62 2.20 0.13 -4.58 119.74 118.14 2aas s LYS 98 Ca 0.05 -0.61 -0.05 0.00 -0.36 0.00 0.00 55.97 55.00 2aas s LYS 98 Cb -0.10 -4.03 -0.04 0.00 -1.51 0.00 0.00 37.83 32.15 2aas s LYS 98 CO 0.04 -1.17 0.04 0.99 -0.36 0.00 0.00 175.35 174.89 2aas s THR 99 N 2.87 4.63 -0.07 3.43 2.01 -0.74 -1.15 115.64 126.61 2aas s THR 99 Ca 0.20 -0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.12 2aas s THR 99 Cb -0.16 -3.02 0.01 0.00 0.01 0.00 0.00 72.50 69.34 2aas s THR 99 CO 0.16 0.54 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.60 2aas s THR 100 N -0.32 1.28 -0.22 -0.82 2.01 0.45 -4.59 115.64 113.43 2aas s THR 100 Ca 0.08 -0.57 -0.18 0.00 0.31 0.00 0.00 61.69 61.33 2aas s THR 100 Cb -0.12 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 2aas s THR 100 CO 0.02 0.39 0.52 -1.58 -0.69 0.00 0.00 174.62 173.28 2aas s GLN 101 N 0.60 4.15 -0.01 4.92 2.00 -1.26 -0.70 119.66 129.36 2aas s GLN 101 Ca -0.15 0.39 -0.06 0.00 -2.00 0.00 0.00 55.36 53.54 2aas s GLN 101 Cb -0.16 -3.60 0.00 0.00 0.80 0.00 0.00 33.01 30.05 2aas s GLN 101 CO 0.05 -0.23 0.12 0.00 -0.50 0.00 0.00 175.29 174.72 2aas s ALA 102 N 1.91 -0.27 -0.50 1.58 0.00 0.51 -5.01 121.76 119.97 2aas s ALA 102 Ca 0.23 -0.06 -0.10 0.00 0.00 0.00 0.00 51.96 52.04 2aas s ALA 102 Cb -0.15 0.03 0.13 0.00 0.00 0.00 0.00 23.12 23.12 2aas s ALA 102 CO 0.09 -0.16 0.38 -0.80 0.00 0.00 0.00 175.76 175.27 2aas s ASN 103 N -1.01 5.76 0.21 0.00 -0.87 -1.26 -0.49 114.94 117.28 2aas s ASN 103 Ca -0.11 -2.00 0.02 0.00 -1.57 0.00 0.00 52.86 49.20 2aas s ASN 103 Cb -0.06 -2.03 -0.05 0.00 -0.02 0.00 0.00 41.25 39.09 2aas s ASN 103 CO 0.01 -0.68 0.02 -0.54 -2.57 0.00 0.00 177.10 173.34 2aas s LYS 104 N 1.24 1.25 0.46 -0.60 1.02 -0.98 -4.81 119.74 117.32 2aas s LYS 104 Ca 0.07 -1.63 -0.21 0.00 0.02 0.00 0.00 55.97 54.21 2aas s LYS 104 Cb -0.25 -0.38 -0.09 0.00 -0.52 0.00 0.00 37.83 36.59 2aas s LYS 104 CO -0.01 -0.16 1.04 -1.01 -0.92 0.00 0.00 175.35 174.29 2aas s HIS 105 N -3.60 3.06 0.04 3.18 3.76 -1.26 -0.75 115.29 119.72 2aas s HIS 105 Ca 0.28 1.59 0.08 0.00 -0.15 0.00 0.00 55.06 56.87 2aas s HIS 105 Cb 0.06 -3.08 -0.03 0.00 1.11 0.00 0.00 32.58 30.65 2aas s HIS 105 CO 0.08 -0.77 -0.22 0.96 -0.85 0.00 0.00 174.74 173.93 2aas s ILE 106 N -1.91 2.45 -0.19 0.60 -4.36 -1.26 -0.40 121.20 116.13 2aas s ILE 106 Ca 0.65 -1.26 -0.01 0.00 -0.26 0.00 0.00 60.65 59.77 2aas s ILE 106 Cb -0.18 -1.98 0.00 0.00 1.25 0.00 0.00 42.46 41.56 2aas s ILE 106 CO 0.21 0.38 -0.13 -0.63 0.24 0.00 0.00 174.94 175.02 2aas s ILE 107 N -0.84 2.73 0.03 8.37 1.01 0.38 -1.24 121.20 131.64 2aas s ILE 107 Ca 0.13 -0.72 0.08 0.00 0.00 0.00 0.00 60.65 60.14 2aas s ILE 107 Cb -0.10 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 2aas s ILE 107 CO 0.03 0.49 -0.23 0.68 0.00 0.00 0.00 174.94 175.91 2aas s VAL 108 N 1.25 1.86 -0.14 2.92 -7.23 -0.59 -1.05 120.40 117.43 2aas s VAL 108 Ca 0.03 -1.22 -0.18 0.00 -1.81 0.00 0.00 61.98 58.80 2aas s VAL 108 Cb -0.14 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 2aas s VAL 108 CO -0.06 0.32 0.48 0.00 -0.31 0.00 0.00 175.10 175.54 2aas s ALA 109 N -0.75 3.49 0.02 1.32 0.00 0.25 -0.72 121.76 125.37 2aas s ALA 109 Ca 0.09 -0.24 0.07 0.00 0.00 0.00 0.00 51.96 51.88 2aas s ALA 109 Cb -0.09 -2.68 -0.02 0.00 0.00 0.00 0.00 23.12 20.32 2aas s ALA 109 CO 0.01 -0.10 -0.20 0.00 0.00 0.00 0.00 175.76 175.47 2aas s GLU 111 N -0.89 1.80 0.13 0.00 2.02 0.09 -4.92 118.70 116.93 2aas s GLU 111 Ca 0.07 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 53.76 2aas s GLU 111 Cb -0.08 0.53 0.00 0.00 0.10 0.00 0.00 34.13 34.68 2aas s GLU 111 CO 0.01 -0.79 0.00 0.41 0.02 0.00 0.00 175.26 174.91 2aas n GLY 112 N -0.46 -2.65 2.69 -1.39 0.00 -1.26 -0.08 105.19 102.04 2aas n GLY 112 Ca -0.03 -1.66 -0.26 0.00 0.00 0.00 0.00 46.02 44.06 2aas n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2aas s ASN 113 N -1.96 2.52 0.60 1.61 2.47 -1.26 -3.20 114.94 115.72 2aas s ASN 113 Ca 0.00 -0.65 -0.17 0.00 0.42 0.00 0.00 52.86 52.47 2aas s ASN 113 Cb 0.00 -0.43 -0.03 0.00 -1.45 0.00 0.00 41.25 39.34 2aas s ASN 113 CO 0.00 -0.31 1.09 -2.16 -3.72 0.00 0.00 177.10 172.00 2aas s PRO 114 N 1.99 3.18 -0.40 0.43 0.04 -1.26 -5.05 135.00 133.92 2aas s PRO 114 Ca 0.01 1.37 -0.28 0.00 0.04 0.00 0.00 61.00 62.14 2aas s PRO 114 Cb -0.16 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 2aas s PRO 114 CO -0.08 -0.95 1.80 -0.47 0.04 0.00 0.00 177.00 177.35 2aas s TYR 115 N -2.23 1.79 -0.02 0.56 5.04 -1.19 -4.94 117.35 116.35 2aas s TYR 115 Ca 0.67 0.69 0.08 0.00 -2.44 0.00 0.00 57.07 56.07 2aas s TYR 115 Cb -0.19 -4.12 -0.02 0.00 0.35 0.00 0.00 41.96 37.98 2aas s TYR 115 CO 0.35 -2.73 -0.25 0.14 -1.34 0.00 0.00 175.55 171.72 2aas s VAL 116 N 7.44 1.95 0.08 3.14 -7.23 0.88 -4.86 120.40 121.81 2aas s VAL 116 Ca 0.76 -1.06 -0.31 0.00 -1.81 0.00 0.00 61.98 59.56 2aas s VAL 116 Cb -0.19 -1.62 -0.09 0.00 0.56 0.00 0.00 36.38 35.03 2aas s VAL 116 CO 0.30 0.55 1.84 -2.84 -0.31 0.00 0.00 175.10 174.64 2aas s PRO 117 N -0.59 4.15 -0.15 4.82 0.02 -1.26 -0.73 135.00 141.26 2aas s PRO 117 Ca 0.10 2.54 0.13 0.00 0.02 0.00 0.00 61.00 63.79 2aas s PRO 117 Cb -0.10 -3.78 -0.18 0.00 0.02 0.00 0.00 34.50 30.46 2aas s PRO 117 CO -0.01 -0.86 0.04 1.33 -0.33 0.00 0.00 177.00 177.17 2aas n VAL 118 N 5.02 1.01 -4.01 3.83 0.24 0.12 -4.46 118.33 120.08 2aas n VAL 118 Ca 0.18 -0.62 -0.13 0.00 -2.04 0.00 0.00 64.34 61.73 2aas n VAL 118 Cb 0.40 -0.63 -0.13 0.00 -1.47 0.00 0.00 33.84 32.00 2aas n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2aas s HIS 119 N -2.36 0.29 -0.14 6.34 5.65 -1.06 -3.28 115.29 120.73 2aas s HIS 119 Ca -0.08 -0.17 -0.06 0.00 0.25 0.00 0.00 55.06 55.00 2aas s HIS 119 Cb 0.04 -0.18 -0.04 0.00 -1.18 0.00 0.00 32.58 31.22 2aas s HIS 119 CO 0.60 -0.04 0.08 0.12 -0.65 0.00 0.00 174.74 174.85 2aas s PHE 120 N -0.42 3.37 -0.02 3.88 2.19 -1.26 -0.58 117.98 125.13 2aas s PHE 120 Ca -0.03 0.29 -0.03 0.00 0.33 0.00 0.00 56.93 57.49 2aas s PHE 120 Cb -0.03 -1.97 -0.01 0.00 -1.31 0.00 0.00 43.02 39.70 2aas s PHE 120 CO -0.00 0.45 -0.05 -3.47 1.83 0.00 0.00 175.22 173.98 2aas n ASP 121 N 2.66 0.40 -3.71 6.13 2.03 -0.21 -4.95 116.55 118.89 2aas n ASP 121 Ca -0.18 0.06 -0.14 0.00 0.52 0.00 0.00 54.79 55.05 2aas n ASP 121 Cb 0.53 -0.38 -0.08 0.00 -0.72 0.00 0.00 41.12 40.47 2aas n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aas s ALA 122 N -2.60 -0.99 -0.21 -1.67 0.00 -1.17 -4.96 121.76 110.16 2aas s ALA 122 Ca -0.04 0.63 -0.08 0.00 0.00 0.00 0.00 51.96 52.47 2aas s ALA 122 Cb 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2aas s ALA 122 CO 0.07 -0.27 0.08 -1.12 0.00 0.00 0.00 175.76 174.51 2aas s SER 123 N -1.05 5.54 0.00 0.00 0.01 -1.26 -0.47 113.70 116.46 2aas s SER 123 Ca -0.11 -0.00 0.10 0.00 1.31 0.00 0.00 55.95 57.24 2aas s SER 123 Cb -0.04 -1.97 0.08 0.00 0.21 0.00 0.00 66.02 64.30 2aas s SER 123 CO 0.05 0.10 0.80 1.33 0.41 0.00 0.00 173.24 175.93