#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 3.68 0.62 1.97 2.12 -1.26 -4.88 118.70 120.95 2aas s GLU 2 Ca 0.00 -1.62 0.05 0.00 0.36 0.00 0.00 54.97 53.76 2aas s GLU 2 Cb 0.00 -5.16 0.11 0.00 0.26 0.00 0.00 34.13 29.35 2aas s GLU 2 CO 0.00 -1.98 0.85 0.25 -0.54 0.00 0.00 175.26 173.84 2aas n THR 3 N 6.02 0.00 -0.27 -1.70 -2.24 -1.26 -4.91 114.28 109.92 2aas n THR 3 Ca 0.31 -1.68 0.06 0.00 -2.27 0.00 0.00 64.05 60.47 2aas n THR 3 Cb 0.49 -0.71 0.17 0.00 -2.10 0.00 0.00 70.33 68.18 2aas n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2aas h ALA 4 N -0.21 0.82 -0.75 6.98 0.00 -1.92 0.11 119.26 124.30 2aas h ALA 4 Ca -0.28 0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2aas h ALA 4 Cb 1.18 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 2aas h ALA 4 CO 0.35 -0.44 0.33 0.00 0.00 0.00 0.00 179.25 179.50 2aas h ALA 5 N 1.76 0.96 -0.52 0.00 0.00 -1.77 -1.67 119.26 118.02 2aas h ALA 5 Ca 0.44 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 2aas h ALA 5 Cb 0.78 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2aas h ALA 5 CO -0.72 0.55 0.01 0.00 0.00 0.00 0.00 179.25 179.09 2aas h ALA 6 N 1.17 1.04 -0.62 0.00 0.00 -1.36 -2.25 119.26 117.23 2aas h ALA 6 Ca 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2aas h ALA 6 Cb 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2aas h ALA 6 CO -0.03 0.60 0.40 0.87 0.00 0.00 0.00 179.25 181.09 2aas h LYS 7 N 0.81 0.83 -0.16 0.00 1.57 -0.59 0.21 116.57 119.24 2aas h LYS 7 Ca 0.15 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 2aas h LYS 7 Cb 0.47 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 2aas h LYS 7 CO 0.02 0.57 -0.14 0.35 -0.57 0.00 0.00 179.45 179.69 2aas h PHE 8 N 0.84 -0.34 -0.27 -1.35 3.57 -1.00 -0.07 116.94 118.31 2aas h PHE 8 Ca 0.23 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.80 2aas h PHE 8 Cb -0.06 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 2aas h PHE 8 CO -0.02 -0.20 -0.04 0.93 -2.23 0.00 0.00 178.31 176.75 2aas h GLU 9 N -0.15 0.04 0.57 1.11 5.08 -0.87 0.25 114.58 120.61 2aas h GLU 9 Ca 0.10 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2aas h GLU 9 Cb 0.30 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.55 2aas h GLU 9 CO -0.25 0.02 -0.27 -0.09 -1.00 0.00 0.00 179.01 177.42 2aas h ARG 10 N 0.04 -0.74 -0.37 2.33 1.12 -0.67 -0.58 114.38 115.52 2aas h ARG 10 Ca 0.13 0.05 -0.09 0.00 -1.11 0.00 0.00 59.98 58.96 2aas h ARG 10 Cb 0.19 0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 30.30 2aas h ARG 10 CO -0.25 -0.47 -0.16 1.96 -3.11 0.00 0.00 179.97 177.94 2aas h GLN 11 N -0.81 0.67 0.00 0.20 4.20 -0.94 -3.42 115.11 115.00 2aas h GLN 11 Ca -0.08 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.35 2aas h GLN 11 Cb 0.61 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2aas h GLN 11 CO 0.13 0.80 -1.12 0.72 -0.67 0.00 0.00 178.83 178.68 2aas n HIS 12 N -4.15 0.00 -2.34 2.96 8.25 0.07 -4.41 115.22 115.60 2aas n HIS 12 Ca 0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.04 2aas n HIS 12 Cb 0.38 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 31.36 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 4.22 -0.23 -0.41 -1.94 -0.23 0.50 119.30 119.14 2aas s MET 13 Ca -0.04 1.76 0.17 0.00 -1.71 0.00 0.00 55.69 55.87 2aas s MET 13 Cb 0.02 -3.81 0.47 0.00 2.01 0.00 0.00 34.83 33.52 2aas s MET 13 CO 0.05 -0.74 1.15 -3.47 -0.01 0.00 0.00 175.02 172.00 2aas n ASP 14 N 6.74 2.58 -0.01 3.03 -0.08 0.17 -4.89 116.55 124.09 2aas n ASP 14 Ca 0.15 -2.76 0.21 0.00 -1.51 0.00 0.00 54.79 50.88 2aas n ASP 14 Cb 0.44 -0.42 0.70 0.00 2.34 0.00 0.00 41.12 44.19 2aas n ASP 14 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2aas h SER 15 N 2.10 0.00 -0.13 1.67 4.64 -1.74 -0.08 113.55 120.00 2aas h SER 15 Ca 0.02 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.38 2aas h SER 15 Cb 1.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.50 2aas h SER 15 CO 0.34 0.00 0.11 -1.28 -0.87 0.00 0.00 176.83 175.13 2aas h SER 16 N 0.00 0.00 -4.25 4.97 0.87 -1.91 -3.42 113.55 109.82 2aas h SER 16 Ca 0.27 0.00 -0.69 0.00 -1.23 0.00 0.00 61.79 60.13 2aas h SER 16 Cb 1.09 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 62.74 2aas h SER 16 CO -0.00 0.00 -0.89 0.42 -0.53 0.00 0.00 176.83 175.83 2aas s THR 17 N -4.89 2.05 -0.73 2.23 -4.23 -0.04 -5.04 115.64 104.98 2aas s THR 17 Ca -0.05 -1.08 0.26 0.00 -1.18 0.00 0.00 61.69 59.64 2aas s THR 17 Cb 0.17 -1.72 0.29 0.00 1.34 0.00 0.00 72.50 72.57 2aas s THR 17 CO 0.63 0.57 1.77 -1.54 -0.54 0.00 0.00 174.62 175.52 2aas n SER 18 N 2.75 0.82 -3.59 3.99 3.41 -1.26 -4.70 113.62 115.04 2aas n SER 18 Ca -0.17 0.57 -0.05 0.00 -0.26 0.00 0.00 58.87 58.96 2aas n SER 18 Cb 0.52 -0.79 -0.02 0.00 -0.26 0.00 0.00 64.21 63.65 2aas n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aas s ALA 19 N -3.10 -2.04 -0.61 7.33 0.00 -1.26 -4.86 121.76 117.21 2aas s ALA 19 Ca 0.11 1.56 -0.26 0.00 0.00 0.00 0.00 51.96 53.36 2aas s ALA 19 Cb 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 2aas s ALA 19 CO 0.60 -0.57 1.98 0.00 0.00 0.00 0.00 175.76 177.77 2aas s ALA 20 N -2.34 2.00 -2.00 0.00 0.00 -1.26 -4.86 121.76 113.30 2aas s ALA 20 Ca 0.08 -0.59 0.17 0.00 0.00 0.00 0.00 51.96 51.63 2aas s ALA 20 Cb -0.01 -4.34 1.03 0.00 0.00 0.00 0.00 23.12 19.81 2aas s ALA 20 CO -0.05 -4.11 1.46 -1.13 0.00 0.00 0.00 175.76 171.93 2aas n SER 21 N 13.56 0.00 -3.68 0.00 3.41 -1.26 -4.72 113.62 120.93 2aas n SER 21 Ca 0.25 -0.77 -0.14 0.00 -0.26 0.00 0.00 58.87 57.95 2aas n SER 21 Cb 0.52 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 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 -1.88 -0.42 0.00 4.04 0.15 -1.26 -5.04 113.70 109.29 2aas s SER 22 Ca 0.26 0.55 0.10 0.00 0.70 0.00 0.00 55.95 57.56 2aas s SER 22 Cb 0.12 0.60 0.46 0.00 -1.71 0.00 0.00 66.02 65.50 2aas s SER 22 CO 0.20 -0.39 1.28 -1.54 1.20 0.00 0.00 173.24 173.99 2aas n SER 23 N 1.71 0.00 -0.01 5.45 3.41 -1.26 -1.84 113.62 121.09 2aas n SER 23 Ca -0.18 0.37 0.10 0.00 -0.26 0.00 0.00 58.87 58.89 2aas n SER 23 Cb 0.56 -0.42 -0.14 0.00 -0.26 0.00 0.00 64.21 63.95 2aas n SER 23 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2aas n ASN 24 N -1.42 0.53 -0.01 4.04 6.94 -1.26 -3.11 115.26 120.96 2aas n ASN 24 Ca 0.03 -0.29 -0.00 0.00 -0.02 0.00 0.00 54.58 54.30 2aas n ASN 24 Cb 0.10 1.65 -0.00 0.00 -2.36 0.00 0.00 39.78 39.17 2aas n ASN 24 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2aas n TYR 25 N -1.98 -0.01 0.29 -2.53 9.36 -0.76 -0.64 117.16 120.89 2aas n TYR 25 Ca -0.01 0.04 0.17 0.00 3.32 0.00 0.00 57.90 61.42 2aas n TYR 25 Cb 0.46 -0.51 0.97 0.00 -0.63 0.00 0.00 39.34 39.63 2aas n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2aas h ASN 27 N 0.00 0.24 0.09 0.00 -0.00 -1.09 -0.82 115.58 114.00 2aas h ASN 27 Ca 0.02 0.10 -0.30 0.00 -0.00 0.00 0.00 56.30 56.12 2aas h ASN 27 Cb 0.12 0.09 -0.01 0.00 -0.00 0.00 0.00 38.32 38.52 2aas h ASN 27 CO -0.00 0.11 -1.57 1.56 -0.00 0.00 0.00 177.43 177.53 2aas h GLN 28 N 0.42 0.20 -0.10 6.67 7.50 -1.68 -3.37 115.11 124.76 2aas h GLN 28 Ca 0.38 -0.34 -0.00 0.00 0.50 0.00 0.00 58.65 59.19 2aas h GLN 28 Cb 0.54 0.13 -0.00 0.00 0.05 0.00 0.00 27.48 28.19 2aas h GLN 28 CO -0.38 1.16 0.06 1.98 -1.50 0.00 0.00 178.83 180.15 2aas h MET 29 N -0.34 0.13 -0.70 1.46 4.05 -1.36 -2.93 114.93 115.25 2aas h MET 29 Ca -0.35 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.06 2aas h MET 29 Cb 1.75 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 32.49 2aas h MET 29 CO 0.01 0.14 0.44 0.52 0.23 0.00 0.00 176.91 178.25 2aas h MET 30 N 0.08 0.93 0.20 0.39 2.86 -1.37 -2.54 114.93 115.48 2aas h MET 30 Ca 0.03 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2aas h MET 30 Cb 0.05 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 2aas h MET 30 CO -0.01 0.63 -0.25 0.87 1.06 0.00 0.00 176.91 179.22 2aas h LYS 31 N 0.95 -0.48 -0.88 1.72 1.57 -1.68 -2.88 116.57 114.89 2aas h LYS 31 Ca 0.25 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.21 2aas h LYS 31 Cb -0.07 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.28 2aas h LYS 31 CO -0.05 -0.32 0.57 1.03 -0.57 0.00 0.00 179.45 180.11 2aas h SER 32 N -0.50 0.64 -0.07 0.86 0.87 -1.29 -1.79 113.55 112.28 2aas h SER 32 Ca 0.01 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2aas h SER 32 Cb 0.49 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2aas h SER 32 CO -0.09 0.33 0.00 0.54 -0.53 0.00 0.00 176.83 177.08 2aas n ARG 33 N -4.55 1.22 -0.88 2.24 5.12 -1.10 -4.89 116.66 113.82 2aas n ARG 33 Ca 0.17 -0.27 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 2aas n ARG 33 Cb 0.46 -1.19 0.00 0.00 -1.16 0.00 0.00 32.46 30.57 2aas n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2aas n ASN 34 N -0.20 -4.29 0.25 0.55 3.02 -0.67 -4.85 115.26 109.07 2aas n ASN 34 Ca 0.03 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.65 2aas n ASN 34 Cb 0.13 -3.02 0.61 0.00 -0.61 0.00 0.00 39.78 36.89 2aas n ASN 34 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2aas h LEU 35 N 0.00 0.00 -1.93 3.41 3.38 -1.72 -2.85 115.31 115.60 2aas h LEU 35 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2aas h LEU 35 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2aas h LEU 35 CO 0.00 0.11 0.00 0.35 0.09 0.00 0.00 178.44 178.99 2aas n THR 36 N -4.24 0.39 2.00 0.22 -2.24 -1.26 -4.31 114.28 104.84 2aas n THR 36 Ca -0.03 -0.70 0.06 0.00 -2.27 0.00 0.00 64.05 61.12 2aas n THR 36 Cb 0.19 0.90 0.38 0.00 -2.10 0.00 0.00 70.33 69.69 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 0.34 1.00 0.04 -0.78 4.76 -1.08 -3.46 118.16 118.98 2aas n LYS 37 Ca 0.06 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2aas n LYS 37 Cb 0.26 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 2aas n LYS 37 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2aas n ASP 38 N -0.69 0.53 -4.00 4.39 9.92 -1.26 -5.07 116.55 120.37 2aas n ASP 38 Ca 0.10 0.12 -0.09 0.00 -0.53 0.00 0.00 54.79 54.39 2aas n ASP 38 Cb 0.05 -0.12 -0.08 0.00 -0.64 0.00 0.00 41.12 40.32 2aas n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2aas s ARG 39 N -2.00 0.86 -0.09 -1.24 1.70 -1.23 -5.09 118.95 111.87 2aas s ARG 39 Ca 0.00 -1.17 -0.29 0.00 -0.47 0.00 0.00 55.73 53.80 2aas s ARG 39 Cb 0.00 0.29 -0.06 0.00 -0.57 0.00 0.00 34.95 34.61 2aas s ARG 39 CO 0.00 -0.25 1.89 0.00 -1.08 0.00 0.00 175.30 175.85 2aas s LYS 41 N 4.81 4.30 0.20 0.00 2.20 -1.26 -4.97 119.74 125.03 2aas s LYS 41 Ca 0.85 1.74 -0.12 0.00 -0.36 0.00 0.00 55.97 58.08 2aas s LYS 41 Cb -0.35 -3.63 0.24 0.00 -1.51 0.00 0.00 37.83 32.58 2aas s LYS 41 CO 0.35 -0.55 1.69 -1.35 -0.36 0.00 0.00 175.35 175.13 2aas h PRO 42 N 7.79 0.18 -3.53 4.03 0.11 -1.96 -3.43 132.00 135.20 2aas h PRO 42 Ca -0.33 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.58 2aas h PRO 42 Cb 1.15 -0.04 -0.25 0.00 0.11 0.00 0.00 31.00 31.97 2aas h PRO 42 CO 0.91 0.12 -0.58 0.54 -0.21 0.00 0.00 178.00 178.78 2aas s VAL 43 N -6.14 0.03 0.22 3.15 0.11 -1.26 -0.99 120.40 115.52 2aas s VAL 43 Ca -0.13 -0.24 -0.17 0.00 -2.93 0.00 0.00 61.98 58.51 2aas s VAL 43 Cb 0.17 -0.23 0.02 0.00 -1.53 0.00 0.00 36.38 34.81 2aas s VAL 43 CO 0.73 -0.13 0.54 0.21 -3.33 0.00 0.00 175.10 173.11 2aas s ASN 44 N -0.41 -0.21 -0.03 3.54 2.47 0.04 -5.03 114.94 115.31 2aas s ASN 44 Ca -0.05 -0.62 0.01 0.00 0.42 0.00 0.00 52.86 52.63 2aas s ASN 44 Cb -0.03 0.60 0.01 0.00 -1.45 0.00 0.00 41.25 40.38 2aas s ASN 44 CO 0.00 -1.12 -0.05 -0.89 -3.72 0.00 0.00 177.10 171.33 2aas s THR 45 N -3.92 0.50 0.03 -5.21 2.01 -1.26 -0.82 115.64 106.98 2aas s THR 45 Ca 0.13 -0.16 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 2aas s THR 45 Cb -0.02 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 2aas s THR 45 CO 0.02 0.19 0.18 -0.36 -0.69 0.00 0.00 174.62 173.96 2aas s PHE 46 N 0.57 3.48 -0.27 4.92 0.08 0.88 -4.05 117.98 123.59 2aas s PHE 46 Ca -0.07 0.27 0.03 0.00 0.12 0.00 0.00 56.93 57.27 2aas s PHE 46 Cb -0.11 -1.77 0.07 0.00 -0.57 0.00 0.00 43.02 40.64 2aas s PHE 46 CO 0.00 0.60 -0.06 0.08 -0.10 0.00 0.00 175.22 175.74 2aas s VAL 47 N -1.40 2.00 -0.55 -0.44 1.01 0.18 0.44 120.40 121.64 2aas s VAL 47 Ca 0.31 -1.67 -0.06 0.00 0.00 0.00 0.00 61.98 60.55 2aas s VAL 47 Cb -0.13 -2.22 -0.11 0.00 0.00 0.00 0.00 36.38 33.92 2aas s VAL 47 CO 0.23 -0.18 3.16 1.41 0.00 0.00 0.00 175.10 179.72 2aas n HIS 48 N 4.47 1.11 -4.25 5.22 8.25 0.35 -0.66 115.22 129.71 2aas n HIS 48 Ca -0.10 -2.04 -0.14 0.00 -0.26 0.00 0.00 57.72 55.19 2aas n HIS 48 Cb 0.42 -1.73 -0.10 0.00 1.12 0.00 0.00 29.99 29.70 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 0.28 1.23 0.58 -0.41 0.41 -1.26 -4.71 118.70 114.82 2aas s GLU 49 Ca 0.64 -1.63 -0.16 0.00 -0.41 0.00 0.00 54.97 53.41 2aas s GLU 49 Cb 0.30 -0.06 -0.05 0.00 -1.78 0.00 0.00 34.13 32.54 2aas s GLU 49 CO -0.08 -0.28 1.04 -1.54 -0.49 0.00 0.00 175.26 173.92 2aas s SER 50 N -3.21 5.97 0.09 -0.19 1.04 -1.26 -3.38 113.70 112.76 2aas s SER 50 Ca 0.33 1.76 -0.21 0.00 0.48 0.00 0.00 55.95 58.31 2aas s SER 50 Cb 0.07 -2.53 -0.11 0.00 0.10 0.00 0.00 66.02 63.56 2aas s SER 50 CO 0.09 -1.04 1.67 0.25 0.98 0.00 0.00 173.24 175.20 2aas h LEU 51 N 0.53 0.17 -0.76 2.42 5.85 -1.98 -2.51 115.31 119.03 2aas h LEU 51 Ca -0.47 -0.11 0.13 0.00 0.84 0.00 0.00 57.88 58.28 2aas h LEU 51 Cb 1.21 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 42.11 2aas h LEU 51 CO 0.58 0.23 0.33 0.00 -0.34 0.00 0.00 178.44 179.24 2aas h ALA 52 N 0.95 1.07 -0.08 1.25 0.00 -1.99 0.35 119.26 120.81 2aas h ALA 52 Ca 0.05 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2aas h ALA 52 Cb 0.10 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2aas h ALA 52 CO -0.01 -0.16 -0.36 0.22 0.00 0.00 0.00 179.25 178.94 2aas h ASP 53 N 0.50 0.16 0.84 0.00 3.58 -1.94 -2.82 116.42 116.73 2aas h ASP 53 Ca 0.41 -0.06 -0.22 0.00 0.42 0.00 0.00 57.03 57.58 2aas h ASP 53 Cb 0.58 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.55 2aas h ASP 53 CO -0.37 0.51 -1.24 0.58 -2.88 0.00 0.00 179.24 175.84 2aas h VAL 54 N 0.13 1.21 -0.69 2.25 2.07 -0.57 -3.25 116.25 117.40 2aas h VAL 54 Ca 0.02 -2.91 0.14 0.00 0.82 0.00 0.00 66.70 64.76 2aas h VAL 54 Cb 0.70 2.58 -0.04 0.00 -1.52 0.00 0.00 31.29 33.00 2aas h VAL 54 CO 0.05 0.69 0.47 1.56 0.02 0.00 0.00 177.57 180.36 2aas h GLN 55 N 0.00 0.34 -0.14 1.57 4.20 -0.22 -0.36 115.11 120.50 2aas h GLN 55 Ca -0.12 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.61 2aas h GLN 55 Cb 1.80 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.50 2aas h GLN 55 CO 0.10 0.22 0.16 0.00 -0.67 0.00 0.00 178.83 178.64 2aas h ALA 56 N 1.67 1.74 -0.09 3.87 0.00 -1.53 -2.26 119.26 122.66 2aas h ALA 56 Ca 0.34 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.09 2aas h ALA 56 Cb 0.83 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2aas h ALA 56 CO -0.09 -0.24 -0.59 0.28 0.00 0.00 0.00 179.25 178.61 2aas h VAL 57 N 0.00 1.37 -0.01 0.00 2.07 -1.21 -3.09 116.25 115.39 2aas h VAL 57 Ca 0.07 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.66 2aas h VAL 57 Cb 0.39 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2aas h VAL 57 CO -0.00 0.57 0.09 0.00 0.02 0.00 0.00 177.57 178.26 2aas n SER 59 N -3.07 2.61 0.00 0.00 2.88 -1.17 -4.85 113.62 110.02 2aas n SER 59 Ca -0.03 -2.14 0.00 0.00 -1.33 0.00 0.00 58.87 55.38 2aas n SER 59 Cb 0.16 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 2aas n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2aas n GLN 60 N -0.06 0.00 -4.43 -1.46 6.02 -0.79 -4.99 117.38 111.66 2aas n GLN 60 Ca 0.08 0.06 -0.26 0.00 -0.01 0.00 0.00 57.00 56.88 2aas n GLN 60 Cb 0.41 -0.36 -0.17 0.00 1.02 0.00 0.00 30.24 31.14 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 -0.44 1.73 -0.08 -1.09 2.20 -0.34 -4.99 119.74 116.73 2aas s LYS 61 Ca 0.00 -0.40 -0.22 0.00 -0.36 0.00 0.00 55.97 54.99 2aas s LYS 61 Cb 0.00 -1.50 -0.04 0.00 -1.51 0.00 0.00 37.83 34.78 2aas s LYS 61 CO 0.00 -0.04 0.63 1.21 -0.36 0.00 0.00 175.35 176.78 2aas s ASN 62 N 0.91 6.89 0.19 1.43 3.04 -1.26 -0.23 114.94 125.92 2aas s ASN 62 Ca -0.10 1.07 0.01 0.00 0.04 0.00 0.00 52.86 53.88 2aas s ASN 62 Cb -0.15 -2.37 -0.05 0.00 -1.54 0.00 0.00 41.25 37.14 2aas s ASN 62 CO 0.01 -0.07 0.05 0.68 -3.04 0.00 0.00 177.10 174.73 2aas s VAL 63 N 0.69 0.50 0.14 -5.21 -7.23 0.32 -4.97 120.40 104.64 2aas s VAL 63 Ca 0.34 -1.98 -0.25 0.00 -1.81 0.00 0.00 61.98 58.28 2aas s VAL 63 Cb -0.17 -2.29 -0.07 0.00 0.56 0.00 0.00 36.38 34.41 2aas s VAL 63 CO 0.16 -0.30 0.76 0.00 -0.31 0.00 0.00 175.10 175.41 2aas s ALA 64 N -3.79 3.44 0.62 1.32 0.00 -1.26 -2.19 121.76 119.91 2aas s ALA 64 Ca 0.29 0.33 -0.11 0.00 0.00 0.00 0.00 51.96 52.47 2aas s ALA 64 Cb 0.07 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 2aas s ALA 64 CO 0.07 0.26 1.03 0.00 0.00 0.00 0.00 175.76 177.12 2aas h LYS 66 N -0.28 0.23 0.00 0.00 -0.00 -1.98 0.27 116.57 114.80 2aas h LYS 66 Ca -0.44 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.65 60.19 2aas h LYS 66 Cb 1.19 -0.05 -0.00 0.00 -0.00 0.00 0.00 32.23 33.37 2aas h LYS 66 CO 0.61 0.15 -0.04 -2.95 -0.00 0.00 0.00 179.45 177.23 2aas h ASN 67 N 0.24 0.00 0.00 7.07 7.08 -2.04 -3.47 115.58 124.46 2aas h ASN 67 Ca 0.61 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.83 2aas h ASN 67 Cb 1.85 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.09 2aas h ASN 67 CO -0.22 0.04 0.00 0.61 -2.08 0.00 0.00 177.43 175.78 2aas n GLY 68 N 0.52 0.87 3.82 9.14 0.00 0.93 -5.11 105.19 115.36 2aas n GLY 68 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.56 3.90 -0.77 1.61 1.11 -1.25 -4.74 119.66 118.95 2aas s GLN 69 Ca 0.00 0.21 -0.05 0.00 0.01 0.00 0.00 55.36 55.53 2aas s GLN 69 Cb 0.00 -3.27 0.04 0.00 -1.01 0.00 0.00 33.01 28.77 2aas s GLN 69 CO 0.00 0.58 2.73 -2.37 0.01 0.00 0.00 175.29 176.24 2aas n THR 70 N 2.35 4.01 -1.11 -0.19 5.66 -1.26 -0.78 114.28 122.96 2aas n THR 70 Ca -0.15 -3.30 0.09 0.00 -3.05 0.00 0.00 64.05 57.64 2aas n THR 70 Cb 0.53 -1.85 0.17 0.00 -1.55 0.00 0.00 70.33 67.64 2aas n THR 70 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2aas n ASN 71 N 1.45 2.63 -4.45 1.09 2.85 -1.24 -4.74 115.26 112.85 2aas n ASN 71 Ca 0.55 -3.17 -0.30 0.00 -0.11 0.00 0.00 54.58 51.55 2aas n ASN 71 Cb 0.46 -0.47 -0.13 0.00 1.24 0.00 0.00 39.78 40.89 2aas n ASN 71 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2aas s TYR 73 N -0.96 0.41 -0.11 0.00 2.02 0.25 -0.53 117.35 118.44 2aas s TYR 73 Ca 0.15 -0.08 -0.02 0.00 -0.37 0.00 0.00 57.07 56.75 2aas s TYR 73 Cb -0.10 -0.27 -0.03 0.00 -0.40 0.00 0.00 41.96 41.16 2aas s TYR 73 CO 0.06 -0.01 -0.02 -1.14 -1.57 0.00 0.00 175.55 172.87 2aas s GLN 74 N -0.11 3.23 -0.02 -0.62 -0.44 0.68 -1.98 119.66 120.42 2aas s GLN 74 Ca 0.02 -0.47 -0.24 0.00 -2.50 0.00 0.00 55.36 52.16 2aas s GLN 74 Cb -0.02 -2.82 -0.04 0.00 -1.64 0.00 0.00 33.01 28.49 2aas s GLN 74 CO -0.00 0.51 0.75 -1.54 0.50 0.00 0.00 175.29 175.50 2aas s SER 75 N -0.36 7.11 0.50 6.67 1.04 -1.13 -1.20 113.70 126.32 2aas s SER 75 Ca 0.06 1.33 0.34 0.00 0.48 0.00 0.00 55.95 58.16 2aas s SER 75 Cb -0.12 -2.45 1.71 0.00 0.10 0.00 0.00 66.02 65.27 2aas s SER 75 CO 0.02 -0.07 2.03 1.88 0.98 0.00 0.00 173.24 178.08 2aas h TYR 76 N 6.29 0.00 -2.96 5.02 0.05 -1.94 -3.41 116.97 120.02 2aas h TYR 76 Ca -0.42 0.00 -0.65 0.00 0.05 0.00 0.00 58.73 57.70 2aas h TYR 76 Cb 1.20 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.86 2aas h TYR 76 CO 0.65 0.00 -0.54 -1.54 -1.05 0.00 0.00 178.16 175.68 2aas s SER 77 N -4.83 5.96 0.37 3.88 1.04 -1.26 -5.09 113.70 113.77 2aas s SER 77 Ca -0.02 0.25 -0.26 0.00 0.48 0.00 0.00 55.95 56.40 2aas s SER 77 Cb 0.10 -1.79 -0.09 0.00 0.10 0.00 0.00 66.02 64.34 2aas s SER 77 CO 0.37 0.30 1.14 0.42 0.98 0.00 0.00 173.24 176.45 2aas s THR 78 N -1.19 3.29 0.09 2.02 -4.23 -1.26 -4.54 115.64 109.82 2aas s THR 78 Ca 0.22 1.12 0.09 0.00 -1.18 0.00 0.00 61.69 61.95 2aas s THR 78 Cb -0.12 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 2aas s THR 78 CO 0.13 0.14 -0.23 -0.04 -0.54 0.00 0.00 174.62 174.08 2aas s MET 79 N -2.12 1.71 -0.67 3.99 -1.94 0.92 -4.78 119.30 116.40 2aas s MET 79 Ca 0.54 -1.19 -0.26 0.00 -1.71 0.00 0.00 55.69 53.07 2aas s MET 79 Cb -0.30 -2.02 -0.02 0.00 2.01 0.00 0.00 34.83 34.50 2aas s MET 79 CO 0.38 0.49 1.79 -1.54 -0.01 0.00 0.00 175.02 176.13 2aas s SER 80 N -1.77 5.40 -0.03 3.03 1.04 -1.26 -1.49 113.70 118.61 2aas s SER 80 Ca 0.15 0.07 0.07 0.00 0.48 0.00 0.00 55.95 56.72 2aas s SER 80 Cb -0.10 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.46 2aas s SER 80 CO 0.06 -2.34 -0.26 0.27 0.98 0.00 0.00 173.24 171.96 2aas s ILE 81 N 8.68 2.07 -0.49 -1.02 -5.25 0.35 -0.49 121.20 125.06 2aas s ILE 81 Ca 0.63 -1.09 -0.06 0.00 -0.99 0.00 0.00 60.65 59.14 2aas s ILE 81 Cb -0.11 -1.72 0.13 0.00 2.95 0.00 0.00 42.46 43.71 2aas s ILE 81 CO 0.17 0.58 0.32 -0.89 -1.79 0.00 0.00 174.94 173.32 2aas s THR 82 N -0.50 3.79 -0.01 8.37 2.01 0.17 -0.39 115.64 129.08 2aas s THR 82 Ca 0.07 -2.14 -0.30 0.00 0.31 0.00 0.00 61.69 59.63 2aas s THR 82 Cb -0.11 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 2aas s THR 82 CO 0.00 -0.77 1.02 -0.62 -0.69 0.00 0.00 174.62 173.56 2aas s ASP 83 N 1.94 7.30 -0.26 3.53 2.15 0.23 -0.08 116.67 131.48 2aas s ASP 83 Ca 0.09 1.70 -0.01 0.00 0.43 0.00 0.00 52.55 54.77 2aas s ASP 83 Cb -0.23 -2.57 0.08 0.00 -0.30 0.00 0.00 42.92 39.90 2aas s ASP 83 CO -0.03 -0.32 0.03 0.00 -0.17 0.00 0.00 175.17 174.68 2aas s ARG 85 N 1.56 2.36 0.23 0.00 0.52 -0.24 -0.78 118.95 122.60 2aas s ARG 85 Ca 0.02 -0.91 -0.30 0.00 -0.52 0.00 0.00 55.73 54.02 2aas s ARG 85 Cb -0.18 -2.10 -0.10 0.00 0.52 0.00 0.00 34.95 33.09 2aas s ARG 85 CO -0.13 0.45 1.51 -2.00 0.02 0.00 0.00 175.30 175.14 2aas s GLU 86 N -0.33 4.23 0.25 3.54 2.12 -0.16 0.26 118.70 128.61 2aas s GLU 86 Ca 0.02 2.37 0.09 0.00 0.36 0.00 0.00 54.97 57.80 2aas s GLU 86 Cb -0.12 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.12 2aas s GLU 86 CO 0.02 -0.51 0.01 -0.08 -0.54 0.00 0.00 175.26 174.15 2aas s THR 87 N 0.35 3.53 0.55 -1.70 -1.32 -0.67 -4.78 115.64 111.59 2aas s THR 87 Ca 0.63 -1.83 0.34 0.00 -1.21 0.00 0.00 61.69 59.62 2aas s THR 87 Cb -0.43 -2.87 0.51 0.00 -1.51 0.00 0.00 72.50 68.19 2aas s THR 87 CO 0.40 -0.34 1.83 1.23 -2.21 0.00 0.00 174.62 175.53 2aas h GLY 88 N 1.97 0.00 -2.11 6.08 0.00 -1.96 -1.78 103.07 105.26 2aas h GLY 88 Ca -0.45 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 2aas h GLY 88 CO 0.60 0.00 0.04 -1.14 0.00 0.00 0.00 176.54 176.04 2aas n SER 89 N -4.12 2.91 -4.58 0.19 3.41 -1.26 -4.88 113.62 105.29 2aas n SER 89 Ca 0.21 -2.40 -0.43 0.00 -0.26 0.00 0.00 58.87 55.99 2aas n SER 89 Cb 1.10 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.24 6.50 0.37 4.04 1.04 -0.67 -4.43 113.70 120.32 2aas s SER 90 Ca 0.21 0.16 0.08 0.00 0.48 0.00 0.00 55.95 56.89 2aas s SER 90 Cb 0.17 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 63.70 2aas s SER 90 CO 0.06 -1.29 -0.04 -0.54 0.98 0.00 0.00 173.24 172.41 2aas s LYS 91 N 4.43 1.90 -0.15 4.02 1.02 -1.05 -4.86 119.74 125.06 2aas s LYS 91 Ca 0.42 -2.00 -0.19 0.00 0.02 0.00 0.00 55.97 54.22 2aas s LYS 91 Cb -0.08 -1.70 -0.04 0.00 -0.52 0.00 0.00 37.83 35.49 2aas s LYS 91 CO 0.27 0.05 0.51 -0.47 -0.92 0.00 0.00 175.35 174.79 2aas s TYR 92 N -2.65 3.46 -1.64 3.18 5.04 -1.26 -0.54 117.35 122.94 2aas s TYR 92 Ca 0.34 0.87 0.16 0.00 -2.44 0.00 0.00 57.07 56.00 2aas s TYR 92 Cb 0.06 -2.62 0.53 0.00 0.35 0.00 0.00 41.96 40.28 2aas s TYR 92 CO 0.17 0.06 1.43 -0.35 -1.34 0.00 0.00 175.55 175.52 2aas n PRO 93 N 4.10 2.70 -2.04 4.97 -0.04 -1.26 -5.00 135.00 138.43 2aas n PRO 93 Ca -0.06 -2.14 -0.42 0.00 -0.04 0.00 0.00 63.50 60.85 2aas n PRO 93 Cb 0.51 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 1.02 5.26 -4.63 3.54 6.94 0.30 -4.93 115.26 122.76 2aas n ASN 94 Ca 0.20 -3.00 -0.43 0.00 -0.02 0.00 0.00 54.58 51.33 2aas n ASN 94 Cb 0.59 -1.53 -0.03 0.00 -2.36 0.00 0.00 39.78 36.46 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 3.45 3.63 -0.03 0.00 0.00 -1.26 -4.45 121.76 123.10 2aas s ALA 96 Ca 0.42 -0.59 0.07 0.00 0.00 0.00 0.00 51.96 51.85 2aas s ALA 96 Cb -0.13 -2.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 2aas s ALA 96 CO 0.15 0.07 -0.23 0.71 0.00 0.00 0.00 175.76 176.46 2aas s TYR 97 N 0.53 2.14 -0.65 0.00 2.02 -1.26 -1.68 117.35 118.44 2aas s TYR 97 Ca 0.12 -0.48 -0.28 0.00 -0.37 0.00 0.00 57.07 56.07 2aas s TYR 97 Cb -0.12 -1.39 0.03 0.00 -0.40 0.00 0.00 41.96 40.08 2aas s TYR 97 CO 0.02 -0.09 1.27 0.21 -1.57 0.00 0.00 175.55 175.39 2aas s LYS 98 N -0.41 3.33 -0.18 -0.62 2.47 0.14 -4.67 119.74 119.81 2aas s LYS 98 Ca 0.05 0.06 -0.08 0.00 -1.56 0.00 0.00 55.97 54.44 2aas s LYS 98 Cb -0.10 -4.11 -0.04 0.00 -1.46 0.00 0.00 37.83 32.12 2aas s LYS 98 CO 0.00 -1.94 0.09 0.99 0.16 0.00 0.00 175.35 174.66 2aas s THR 99 N 5.49 5.05 -0.10 3.43 2.01 -1.18 -1.08 115.64 129.27 2aas s THR 99 Ca 0.41 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.47 2aas s THR 99 Cb -0.08 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 69.17 2aas s THR 99 CO 0.21 0.47 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.64 2aas s THR 100 N 0.23 0.98 -0.40 -0.82 2.01 0.43 -4.75 115.64 113.32 2aas s THR 100 Ca 0.06 -0.29 -0.18 0.00 0.31 0.00 0.00 61.69 61.58 2aas s THR 100 Cb -0.12 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.42 2aas s THR 100 CO -0.00 0.35 0.52 -1.58 -0.69 0.00 0.00 174.62 173.22 2aas s GLN 101 N 1.46 3.35 0.04 4.92 2.00 -1.26 -0.60 119.66 129.58 2aas s GLN 101 Ca 0.00 -0.42 0.04 0.00 -2.00 0.00 0.00 55.36 52.98 2aas s GLN 101 Cb -0.13 -3.90 -0.02 0.00 0.80 0.00 0.00 33.01 29.75 2aas s GLN 101 CO -0.05 -0.81 -0.13 0.00 -0.50 0.00 0.00 175.29 173.80 2aas s ALA 102 N 2.42 1.06 -0.67 1.58 0.00 0.48 -5.02 121.76 121.61 2aas s ALA 102 Ca 0.17 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.20 2aas s ALA 102 Cb -0.16 -0.13 0.17 0.00 0.00 0.00 0.00 23.12 23.00 2aas s ALA 102 CO 0.15 0.17 0.57 -0.80 0.00 0.00 0.00 175.76 175.86 2aas s ASN 103 N -1.26 6.16 0.12 0.00 -0.87 -1.26 -0.49 114.94 117.34 2aas s ASN 103 Ca -0.01 -2.41 0.04 0.00 -1.57 0.00 0.00 52.86 48.92 2aas s ASN 103 Cb -0.08 -2.10 -0.04 0.00 -0.02 0.00 0.00 41.25 39.01 2aas s ASN 103 CO 0.01 -0.61 -0.10 -0.54 -2.57 0.00 0.00 177.10 173.29 2aas s LYS 104 N 0.61 0.97 0.36 -0.60 -0.14 -0.56 -4.71 119.74 115.67 2aas s LYS 104 Ca 0.13 -1.32 -0.25 0.00 -1.36 0.00 0.00 55.97 53.17 2aas s LYS 104 Cb -0.19 -0.61 -0.10 0.00 -1.68 0.00 0.00 37.83 35.26 2aas s LYS 104 CO -0.04 0.09 0.99 -1.01 -0.76 0.00 0.00 175.35 174.62 2aas s HIS 105 N -2.88 3.49 0.01 3.18 3.76 -0.15 -0.06 115.29 122.64 2aas s HIS 105 Ca 0.12 1.71 0.06 0.00 -0.15 0.00 0.00 55.06 56.79 2aas s HIS 105 Cb -0.00 -3.01 -0.03 0.00 1.11 0.00 0.00 32.58 30.64 2aas s HIS 105 CO 0.00 -0.18 -0.15 0.96 -0.85 0.00 0.00 174.74 174.52 2aas s ILE 106 N -1.66 2.98 -0.30 0.60 -4.36 -1.26 0.40 121.20 117.60 2aas s ILE 106 Ca 0.54 -1.01 -0.06 0.00 -0.26 0.00 0.00 60.65 59.86 2aas s ILE 106 Cb -0.20 -2.24 0.02 0.00 1.25 0.00 0.00 42.46 41.29 2aas s ILE 106 CO 0.25 0.41 0.06 -0.63 0.24 0.00 0.00 174.94 175.28 2aas s ILE 107 N -0.89 3.75 -0.07 8.37 1.09 0.56 -2.85 121.20 131.16 2aas s ILE 107 Ca 0.14 -0.84 0.03 0.00 -1.10 0.00 0.00 60.65 58.88 2aas s ILE 107 Cb -0.11 -2.97 -0.02 0.00 -1.06 0.00 0.00 42.46 38.30 2aas s ILE 107 CO 0.04 0.04 -0.15 0.68 -0.10 0.00 0.00 174.94 175.46 2aas s VAL 108 N 1.45 3.01 -0.09 2.92 -7.23 -0.84 -1.00 120.40 118.62 2aas s VAL 108 Ca 0.01 -0.72 -0.27 0.00 -1.81 0.00 0.00 61.98 59.19 2aas s VAL 108 Cb -0.18 -2.20 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 2aas s VAL 108 CO 0.01 0.57 0.89 0.00 -0.31 0.00 0.00 175.10 176.26 2aas s ALA 109 N -0.39 3.36 -0.01 1.32 0.00 0.84 -0.58 121.76 126.30 2aas s ALA 109 Ca 0.04 0.27 0.07 0.00 0.00 0.00 0.00 51.96 52.35 2aas s ALA 109 Cb -0.12 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 2aas s ALA 109 CO 0.02 -0.43 -0.24 0.00 0.00 0.00 0.00 175.76 175.12 2aas s GLU 111 N -0.64 1.65 0.33 0.00 2.56 -0.00 -4.93 118.70 117.67 2aas s GLU 111 Ca 0.09 -1.13 0.00 0.00 0.00 0.00 0.00 54.97 53.93 2aas s GLU 111 Cb -0.09 0.53 0.00 0.00 2.00 0.00 0.00 34.13 36.57 2aas s GLU 111 CO -0.01 -0.72 0.00 0.41 -0.56 0.00 0.00 175.26 174.39 2aas n GLY 112 N -0.41 -2.38 2.76 -1.50 0.00 -1.26 -0.76 105.19 101.63 2aas n GLY 112 Ca -0.03 -1.78 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.99 1.34 0.56 1.61 2.47 -1.26 -3.57 114.94 113.10 2aas s ASN 113 Ca 0.00 -0.22 -0.19 0.00 0.42 0.00 0.00 52.86 52.87 2aas s ASN 113 Cb 0.00 0.43 -0.05 0.00 -1.45 0.00 0.00 41.25 40.18 2aas s ASN 113 CO 0.00 -0.33 1.12 -2.16 -3.72 0.00 0.00 177.10 172.01 2aas s PRO 114 N 2.34 3.28 -0.27 0.43 0.04 -1.26 -5.06 135.00 134.49 2aas s PRO 114 Ca 0.07 1.55 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 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 -0.13 -0.90 1.74 -0.47 0.04 0.00 0.00 177.00 177.27 2aas s TYR 115 N -1.90 1.90 0.06 0.56 5.04 -1.23 -4.97 117.35 116.82 2aas s TYR 115 Ca 0.71 0.56 0.07 0.00 -2.44 0.00 0.00 57.07 55.97 2aas s TYR 115 Cb -0.23 -4.08 -0.03 0.00 0.35 0.00 0.00 41.96 37.98 2aas s TYR 115 CO 0.29 -3.04 -0.20 0.54 -1.34 0.00 0.00 175.55 171.80 2aas s VAL 116 N 6.16 1.64 0.15 3.14 0.11 0.06 -4.85 120.40 126.82 2aas s VAL 116 Ca 0.77 -1.28 -0.32 0.00 -2.93 0.00 0.00 61.98 58.22 2aas s VAL 116 Cb -0.24 -1.45 -0.12 0.00 -1.53 0.00 0.00 36.38 33.04 2aas s VAL 116 CO 0.32 0.12 1.75 -2.65 -3.33 0.00 0.00 175.10 171.31 2aas n PRO 117 N 1.64 2.64 -0.08 1.54 -0.02 -1.26 -0.82 135.00 138.65 2aas n PRO 117 Ca -0.18 0.96 -0.09 0.00 -2.02 0.00 0.00 63.50 62.17 2aas n PRO 117 Cb 0.53 -2.81 -0.10 0.00 -0.02 0.00 0.00 33.50 31.10 2aas n PRO 117 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2aas n VAL 118 N 4.22 1.00 -3.93 -1.45 0.24 0.75 -4.40 118.33 114.76 2aas n VAL 118 Ca 0.17 -0.55 -0.10 0.00 -2.04 0.00 0.00 64.34 61.82 2aas n VAL 118 Cb 0.34 -0.77 -0.12 0.00 -1.47 0.00 0.00 33.84 31.83 2aas n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2aas s HIS 119 N -2.35 0.15 -0.12 6.34 3.76 -1.09 -3.72 115.29 118.25 2aas s HIS 119 Ca -0.12 -0.30 -0.04 0.00 -0.15 0.00 0.00 55.06 54.44 2aas s HIS 119 Cb 0.05 -0.11 -0.04 0.00 1.11 0.00 0.00 32.58 33.59 2aas s HIS 119 CO 0.54 -0.15 0.05 0.12 -0.85 0.00 0.00 174.74 174.45 2aas s PHE 120 N -1.00 3.30 0.00 1.40 2.19 -1.26 -0.11 117.98 122.50 2aas s PHE 120 Ca -0.11 0.25 0.00 0.00 0.33 0.00 0.00 56.93 57.40 2aas s PHE 120 Cb -0.07 -1.89 0.00 0.00 -1.31 0.00 0.00 43.02 39.75 2aas s PHE 120 CO -0.00 0.47 0.00 -0.25 1.83 0.00 0.00 175.22 177.27 2aas n ASP 121 N 2.41 0.00 -4.03 6.13 9.92 -0.17 -4.94 116.55 125.87 2aas n ASP 121 Ca -0.19 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 53.96 2aas n ASP 121 Cb 0.54 -0.09 -0.11 0.00 -0.64 0.00 0.00 41.12 40.81 2aas n ASP 121 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2aas s ALA 122 N -2.58 0.42 -0.15 2.24 0.00 -1.20 -5.02 121.76 115.48 2aas s ALA 122 Ca 0.00 -0.68 -0.06 0.00 0.00 0.00 0.00 51.96 51.21 2aas s ALA 122 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 2aas s ALA 122 CO 0.00 -0.06 0.06 -1.12 0.00 0.00 0.00 175.76 174.65 2aas s SER 123 N -1.47 5.70 0.00 0.00 0.01 -1.26 -0.33 113.70 116.35 2aas s SER 123 Ca -0.11 0.17 0.20 0.00 1.31 0.00 0.00 55.95 57.51 2aas s SER 123 Cb -0.10 -1.89 0.16 0.00 0.21 0.00 0.00 66.02 64.40 2aas s SER 123 CO -0.00 0.26 1.13 0.52 0.41 0.00 0.00 173.24 175.56