#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 3.70 1.01 1.64 2.12 -1.26 -4.87 118.70 121.04 2aas s GLU 2 Ca 0.00 -1.58 -0.17 0.00 0.36 0.00 0.00 54.97 53.59 2aas s GLU 2 Cb 0.00 -5.44 0.21 0.00 0.26 0.00 0.00 34.13 29.16 2aas s GLU 2 CO 0.00 -2.39 1.27 0.95 -0.54 0.00 0.00 175.26 174.55 2aas s THR 3 N 5.13 1.91 0.26 -1.70 -4.23 -1.26 -4.91 115.64 110.84 2aas s THR 3 Ca 0.53 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 61.01 2aas s THR 3 Cb 0.02 -2.89 0.25 0.00 1.34 0.00 0.00 72.50 71.22 2aas s THR 3 CO 0.02 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 175.95 2aas h ALA 4 N -1.83 1.32 -0.69 3.99 0.00 -1.92 -1.62 119.26 118.51 2aas h ALA 4 Ca -0.45 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.48 2aas h ALA 4 Cb 1.25 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2aas h ALA 4 CO 0.38 0.32 0.44 0.00 0.00 0.00 0.00 179.25 180.40 2aas h ALA 5 N 1.45 0.90 -0.61 0.00 0.00 -1.78 -2.42 119.26 116.80 2aas h ALA 5 Ca 0.42 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 2aas h ALA 5 Cb 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2aas h ALA 5 CO -0.20 0.24 0.20 0.00 0.00 0.00 0.00 179.25 179.50 2aas h ALA 6 N 1.28 1.20 -0.34 0.00 0.00 -1.64 -1.80 119.26 117.97 2aas h ALA 6 Ca 0.27 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2aas h ALA 6 Cb -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2aas h ALA 6 CO -0.09 0.56 0.20 0.87 0.00 0.00 0.00 179.25 180.80 2aas h LYS 7 N 0.89 0.46 -0.24 0.00 1.57 -0.95 0.82 116.57 119.13 2aas h LYS 7 Ca 0.20 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.00 2aas h LYS 7 Cb 0.24 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.39 2aas h LYS 7 CO -0.01 0.35 -0.22 0.35 -0.57 0.00 0.00 179.45 179.35 2aas h PHE 8 N 0.44 -0.56 -0.34 -1.35 3.57 -1.12 -0.60 116.94 116.97 2aas h PHE 8 Ca 0.12 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.71 2aas h PHE 8 Cb 0.01 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 2aas h PHE 8 CO -0.04 -0.29 0.03 0.93 -2.23 0.00 0.00 178.31 176.70 2aas h GLU 9 N -0.22 0.13 0.13 1.11 5.08 -0.79 0.18 114.58 120.20 2aas h GLU 9 Ca 0.14 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2aas h GLU 9 Cb 0.43 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2aas h GLU 9 CO -0.37 0.08 -0.21 -0.09 -1.00 0.00 0.00 179.01 177.43 2aas h ARG 10 N 0.13 -0.39 -0.11 2.33 1.12 -0.49 0.87 114.38 117.84 2aas h ARG 10 Ca 0.16 0.03 -0.14 0.00 -1.11 0.00 0.00 59.98 58.92 2aas h ARG 10 Cb 0.21 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.25 2aas h ARG 10 CO -0.25 -0.26 -0.52 1.96 -3.11 0.00 0.00 179.97 177.79 2aas h GLN 11 N -0.40 0.31 0.00 0.20 4.20 -0.82 -3.42 115.11 115.19 2aas h GLN 11 Ca 0.02 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 2aas h GLN 11 Cb 0.41 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2aas h GLN 11 CO -0.10 0.76 -1.14 0.72 -0.67 0.00 0.00 178.83 178.40 2aas n HIS 12 N -3.94 0.00 -2.81 2.96 8.25 0.62 -4.59 115.22 115.70 2aas n HIS 12 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 2aas n HIS 12 Cb 0.57 -0.09 -0.04 0.00 1.12 0.00 0.00 29.99 31.55 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 -2.05 4.12 -0.32 -0.41 -1.94 0.29 0.16 119.30 119.16 2aas s MET 13 Ca -0.03 0.96 0.08 0.00 -1.71 0.00 0.00 55.69 54.99 2aas s MET 13 Cb 0.01 -3.68 0.45 0.00 2.01 0.00 0.00 34.83 33.63 2aas s MET 13 CO 0.05 -0.65 1.17 -0.25 -0.01 0.00 0.00 175.02 175.33 2aas n ASP 14 N 6.27 4.64 -0.18 3.03 9.92 -0.38 -4.88 116.55 134.97 2aas n ASP 14 Ca 0.08 -3.63 0.23 0.00 -0.53 0.00 0.00 54.79 50.94 2aas n ASP 14 Cb 0.47 -0.37 0.62 0.00 -0.64 0.00 0.00 41.12 41.20 2aas n ASP 14 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2aas h SER 15 N 2.30 0.19 0.60 -2.24 0.02 -1.76 -0.37 113.55 112.28 2aas h SER 15 Ca 0.32 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.19 2aas h SER 15 Cb 1.40 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.91 2aas h SER 15 CO 0.74 0.08 -0.47 -1.28 -1.14 0.00 0.00 176.83 174.76 2aas h SER 16 N 0.19 0.00 -3.33 3.07 0.87 -1.90 -3.42 113.55 109.03 2aas h SER 16 Ca 0.42 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 60.35 2aas h SER 16 Cb 1.36 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 63.11 2aas h SER 16 CO -0.08 0.47 -0.65 0.42 -0.53 0.00 0.00 176.83 176.46 2aas s THR 17 N -3.80 4.07 0.09 2.23 -4.23 -0.15 -5.02 115.64 108.84 2aas s THR 17 Ca -0.01 -0.29 0.29 0.00 -1.18 0.00 0.00 61.69 60.49 2aas s THR 17 Cb 0.13 -2.81 0.32 0.00 1.34 0.00 0.00 72.50 71.48 2aas s THR 17 CO 0.72 0.47 1.89 0.28 -0.54 0.00 0.00 174.62 177.45 2aas h SER 18 N 6.85 0.00 -4.45 3.99 0.02 -1.81 -3.44 113.55 114.71 2aas h SER 18 Ca -0.33 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 60.74 2aas h SER 18 Cb 1.18 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.55 2aas h SER 18 CO 0.64 0.10 0.54 0.00 -1.14 0.00 0.00 176.83 176.97 2aas s ALA 19 N -3.64 -1.88 -0.61 3.77 0.00 -1.26 -4.79 121.76 113.35 2aas s ALA 19 Ca 0.01 1.25 -0.26 0.00 0.00 0.00 0.00 51.96 52.96 2aas s ALA 19 Cb 0.09 0.03 -0.06 0.00 0.00 0.00 0.00 23.12 23.18 2aas s ALA 19 CO 0.59 -0.57 2.21 0.00 0.00 0.00 0.00 175.76 177.99 2aas s ALA 20 N -2.45 1.64 -1.91 0.00 0.00 -1.26 -4.85 121.76 112.92 2aas s ALA 20 Ca 0.03 -0.45 0.16 0.00 0.00 0.00 0.00 51.96 51.70 2aas s ALA 20 Cb -0.01 -4.39 0.93 0.00 0.00 0.00 0.00 23.12 19.65 2aas s ALA 20 CO -0.05 -4.57 1.38 -1.13 0.00 0.00 0.00 175.76 171.38 2aas n SER 21 N 15.28 0.00 -3.80 0.00 3.41 -1.26 -4.71 113.62 122.53 2aas n SER 21 Ca 0.34 -0.41 -0.12 0.00 -0.26 0.00 0.00 58.87 58.41 2aas n SER 21 Cb 0.52 -0.05 -0.11 0.00 -0.26 0.00 0.00 64.21 64.31 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 -2.09 -0.19 0.16 4.04 0.15 -1.26 -5.03 113.70 109.49 2aas s SER 22 Ca 0.23 0.29 0.11 0.00 0.70 0.00 0.00 55.95 57.27 2aas s SER 22 Cb 0.11 0.41 0.60 0.00 -1.71 0.00 0.00 66.02 65.43 2aas s SER 22 CO 0.19 -0.20 1.34 -1.54 1.20 0.00 0.00 173.24 174.23 2aas n SER 23 N 2.38 0.29 -0.21 5.45 3.41 -1.26 -1.91 113.62 121.77 2aas n SER 23 Ca -0.16 0.63 0.05 0.00 -0.26 0.00 0.00 58.87 59.13 2aas n SER 23 Cb 0.57 -0.67 -0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2aas n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2aas n ASN 24 N -1.88 1.15 -0.29 4.04 2.85 -1.26 -3.19 115.26 116.67 2aas n ASN 24 Ca -0.01 -1.07 -0.02 0.00 -0.11 0.00 0.00 54.58 53.37 2aas n ASN 24 Cb 0.02 0.49 0.02 0.00 1.24 0.00 0.00 39.78 41.55 2aas n ASN 24 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2aas n TYR 25 N -0.30 -0.01 -0.25 1.20 9.36 -0.80 -0.63 117.16 125.72 2aas n TYR 25 Ca 0.04 0.93 0.23 0.00 3.32 0.00 0.00 57.90 62.42 2aas n TYR 25 Cb 0.20 -0.76 0.58 0.00 -0.63 0.00 0.00 39.34 38.73 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 0.28 -0.61 -0.05 0.00 -0.00 -1.05 0.28 115.58 114.43 2aas h ASN 27 Ca 0.50 0.11 -0.08 0.00 -0.00 0.00 0.00 56.30 56.83 2aas h ASN 27 Cb 1.46 0.29 0.00 0.00 -0.00 0.00 0.00 38.32 40.07 2aas h ASN 27 CO -0.15 -0.24 -0.26 1.56 -0.00 0.00 0.00 177.43 178.33 2aas h GLN 28 N -0.23 0.27 -0.03 6.67 7.50 -1.72 -3.31 115.11 124.25 2aas h GLN 28 Ca 0.11 -0.22 -0.00 0.00 0.50 0.00 0.00 58.65 59.04 2aas h GLN 28 Cb 0.39 0.05 -0.00 0.00 0.05 0.00 0.00 27.48 27.97 2aas h GLN 28 CO -0.30 0.87 0.01 1.98 -1.50 0.00 0.00 178.83 179.90 2aas h MET 29 N -0.27 0.05 -0.72 1.46 4.05 -1.16 -2.64 114.93 115.70 2aas h MET 29 Ca -0.02 -0.01 0.14 0.00 -0.28 0.00 0.00 59.70 59.54 2aas h MET 29 Cb 0.92 -0.01 -0.10 0.00 -0.80 0.00 0.00 31.60 31.62 2aas h MET 29 CO 0.05 0.18 0.23 0.52 0.23 0.00 0.00 176.91 178.13 2aas h MET 30 N -0.10 0.34 -0.04 0.39 2.86 -0.64 -2.23 114.93 115.51 2aas h MET 30 Ca 0.01 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2aas h MET 30 Cb 0.16 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 2aas h MET 30 CO -0.00 0.22 0.02 -0.22 1.06 0.00 0.00 176.91 177.99 2aas h LYS 31 N 0.35 0.05 -0.41 1.72 1.63 -1.57 -3.16 116.57 115.18 2aas h LYS 31 Ca 0.40 -0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 60.12 2aas h LYS 31 Cb 0.63 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.23 2aas h LYS 31 CO -0.44 0.17 -0.05 0.66 -3.45 0.00 0.00 179.45 176.33 2aas h SER 32 N -0.08 0.66 -0.03 4.20 4.64 -1.08 -3.17 113.55 118.69 2aas h SER 32 Ca 0.01 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.15 2aas h SER 32 Cb 0.14 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2aas h SER 32 CO -0.00 0.77 0.02 0.54 -0.87 0.00 0.00 176.83 177.29 2aas n ARG 33 N -4.21 1.05 0.00 4.77 5.12 -0.98 -4.81 116.66 117.60 2aas n ARG 33 Ca 0.02 -0.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 2aas n ARG 33 Cb 0.31 -1.04 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 -1.71 -1.93 0.00 0.00 177.63 173.99 2aas n ASN 34 N 0.76 0.00 -0.12 0.55 5.15 -1.20 -4.61 115.26 115.80 2aas n ASN 34 Ca 0.02 0.00 0.18 0.00 -0.60 0.00 0.00 54.58 54.18 2aas n ASN 34 Cb 0.53 -0.82 0.57 0.00 -0.53 0.00 0.00 39.78 39.54 2aas n ASN 34 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2aas h LEU 35 N 0.00 0.25 -3.00 1.20 3.38 -1.77 -2.28 115.31 113.09 2aas h LEU 35 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2aas h LEU 35 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2aas h LEU 35 CO 0.00 0.13 0.00 0.35 0.09 0.00 0.00 178.44 179.01 2aas n THR 36 N -4.44 1.35 0.16 0.22 -2.24 -1.26 -4.40 114.28 103.68 2aas n THR 36 Ca 0.13 -1.39 0.09 0.00 -2.27 0.00 0.00 64.05 60.61 2aas n THR 36 Cb 0.59 0.24 0.45 0.00 -2.10 0.00 0.00 70.33 69.52 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 -0.51 0.11 0.04 -0.78 4.76 -0.86 -3.49 118.16 117.44 2aas n LYS 37 Ca 0.08 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 56.10 2aas n LYS 37 Cb 0.45 -1.85 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 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 -2.08 0.76 -4.20 4.39 9.92 -1.26 -5.08 116.55 118.99 2aas n ASP 38 Ca -0.01 0.13 -0.12 0.00 -0.53 0.00 0.00 54.79 54.26 2aas n ASP 38 Cb 0.05 -0.21 -0.10 0.00 -0.64 0.00 0.00 41.12 40.22 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 0.94 -0.32 -1.24 1.70 -1.23 -4.96 118.95 111.85 2aas s ARG 39 Ca 0.00 -1.40 -0.29 0.00 -0.47 0.00 0.00 55.73 53.57 2aas s ARG 39 Cb 0.00 -0.34 -0.00 0.00 -0.57 0.00 0.00 34.95 34.03 2aas s ARG 39 CO 0.00 -0.00 1.41 0.00 -1.08 0.00 0.00 175.30 175.62 2aas s LYS 41 N 4.53 4.21 0.25 0.00 2.20 -1.26 -4.96 119.74 124.72 2aas s LYS 41 Ca 0.61 2.14 -0.03 0.00 -0.36 0.00 0.00 55.97 58.34 2aas s LYS 41 Cb -0.17 -3.76 0.48 0.00 -1.51 0.00 0.00 37.83 32.86 2aas s LYS 41 CO 0.27 -0.74 1.77 -1.00 -0.36 0.00 0.00 175.35 175.29 2aas h PRO 42 N 8.70 0.61 -2.70 4.03 0.13 -1.95 -3.43 132.00 137.39 2aas h PRO 42 Ca -0.39 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.58 2aas h PRO 42 Cb 1.18 -0.14 -0.24 0.00 0.13 0.00 0.00 31.00 31.93 2aas h PRO 42 CO 0.93 0.41 -0.23 0.54 -0.23 0.00 0.00 178.00 179.42 2aas s VAL 43 N -6.00 -0.00 0.08 1.56 0.11 -1.26 -1.16 120.40 113.73 2aas s VAL 43 Ca -0.12 0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 58.78 2aas s VAL 43 Cb 0.21 -0.60 0.03 0.00 -1.53 0.00 0.00 36.38 34.49 2aas s VAL 43 CO 0.78 0.01 0.38 0.21 -3.33 0.00 0.00 175.10 173.14 2aas s ASN 44 N 0.40 -0.22 -0.11 3.54 2.47 -0.46 -5.04 114.94 115.52 2aas s ASN 44 Ca -0.01 -0.20 0.02 0.00 0.42 0.00 0.00 52.86 53.08 2aas s ASN 44 Cb -0.04 0.43 0.01 0.00 -1.45 0.00 0.00 41.25 40.21 2aas s ASN 44 CO -0.01 -0.75 -0.17 -0.89 -3.72 0.00 0.00 177.10 171.56 2aas s THR 45 N -3.17 1.62 0.27 -5.21 2.01 -1.26 0.09 115.64 109.99 2aas s THR 45 Ca -0.01 -0.73 -0.06 0.00 0.31 0.00 0.00 61.69 61.20 2aas s THR 45 Cb 0.01 -1.46 -0.06 0.00 0.01 0.00 0.00 72.50 71.01 2aas s THR 45 CO -0.07 0.46 0.56 -0.36 -0.69 0.00 0.00 174.62 174.52 2aas s PHE 46 N 0.83 3.46 -0.21 4.92 0.08 0.11 -4.50 117.98 122.67 2aas s PHE 46 Ca -0.09 0.72 0.00 0.00 0.12 0.00 0.00 56.93 57.67 2aas s PHE 46 Cb -0.16 -2.16 0.05 0.00 -0.57 0.00 0.00 43.02 40.19 2aas s PHE 46 CO 0.00 0.19 -0.05 0.08 -0.10 0.00 0.00 175.22 175.35 2aas s VAL 47 N -2.02 1.32 -0.41 -0.44 1.01 0.12 0.25 120.40 120.23 2aas s VAL 47 Ca 0.45 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 2aas s VAL 47 Cb -0.11 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.71 2aas s VAL 47 CO 0.28 -0.05 2.87 1.41 0.00 0.00 0.00 175.10 179.61 2aas n HIS 48 N 4.76 1.41 -4.49 5.22 8.25 0.09 -1.25 115.22 129.22 2aas n HIS 48 Ca -0.12 -1.90 -0.23 0.00 -0.26 0.00 0.00 57.72 55.21 2aas n HIS 48 Cb 0.45 -1.42 -0.10 0.00 1.12 0.00 0.00 29.99 30.05 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 -1.37 1.77 0.53 -0.41 0.41 -1.26 -4.69 118.70 113.69 2aas s GLU 49 Ca 0.60 -2.03 -0.12 0.00 -0.41 0.00 0.00 54.97 53.01 2aas s GLU 49 Cb 0.37 -0.80 -0.05 0.00 -1.78 0.00 0.00 34.13 31.87 2aas s GLU 49 CO -0.19 -0.30 0.93 -1.54 -0.49 0.00 0.00 175.26 173.67 2aas s SER 50 N -3.55 6.40 0.26 -0.19 1.04 -1.26 -3.54 113.70 112.87 2aas s SER 50 Ca 0.30 1.34 -0.02 0.00 0.48 0.00 0.00 55.95 58.05 2aas s SER 50 Cb 0.06 -2.42 0.43 0.00 0.10 0.00 0.00 66.02 64.19 2aas s SER 50 CO 0.14 -0.66 1.85 0.25 0.98 0.00 0.00 173.24 175.81 2aas h LEU 51 N 0.39 0.92 -0.78 2.42 5.85 -1.99 -1.58 115.31 120.53 2aas h LEU 51 Ca -0.46 0.03 0.15 0.00 0.84 0.00 0.00 57.88 58.44 2aas h LEU 51 Cb 1.19 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.96 2aas h LEU 51 CO 0.62 0.56 0.32 0.00 -0.34 0.00 0.00 178.44 179.60 2aas h ALA 52 N 1.47 1.12 0.00 1.25 0.00 -1.99 0.92 119.26 122.03 2aas h ALA 52 Ca 0.44 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 2aas h ALA 52 Cb 0.28 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2aas h ALA 52 CO -0.21 -0.21 -0.10 -0.44 0.00 0.00 0.00 179.25 178.30 2aas h ASP 53 N 0.46 0.00 0.00 0.00 3.32 -1.68 -2.00 116.42 116.51 2aas h ASP 53 Ca 0.43 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.16 2aas h ASP 53 Cb 0.67 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.16 2aas h ASP 53 CO -0.41 0.10 -2.24 0.52 -1.72 0.00 0.00 179.24 175.49 2aas n VAL 54 N -3.50 1.24 -0.34 -1.35 0.31 0.12 -3.39 118.33 111.42 2aas n VAL 54 Ca -0.02 -0.71 0.26 0.00 -0.01 0.00 0.00 64.34 63.86 2aas n VAL 54 Cb 0.23 -0.67 0.50 0.00 -0.91 0.00 0.00 33.84 33.00 2aas n VAL 54 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2aas h GLN 55 N 0.00 0.27 0.00 5.55 4.20 -0.97 -0.68 115.11 123.48 2aas h GLN 55 Ca -0.49 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.21 2aas h GLN 55 Cb 2.04 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.76 2aas h GLN 55 CO 0.01 0.18 0.00 0.00 -0.67 0.00 0.00 178.83 178.35 2aas h ALA 56 N 1.82 1.00 0.09 3.87 0.00 -1.37 -2.21 119.26 122.46 2aas h ALA 56 Ca 0.74 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 55.35 2aas h ALA 56 Cb 1.80 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 2aas h ALA 56 CO -0.58 0.00 -1.61 0.28 0.00 0.00 0.00 179.25 177.34 2aas h VAL 57 N 0.00 1.04 -0.05 0.00 2.07 -1.19 -3.33 116.25 114.79 2aas h VAL 57 Ca 0.00 -2.74 0.01 0.00 0.82 0.00 0.00 66.70 64.80 2aas h VAL 57 Cb 0.14 2.66 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2aas h VAL 57 CO 0.00 0.77 0.13 0.00 0.02 0.00 0.00 177.57 178.50 2aas n SER 59 N -3.31 3.55 0.00 0.00 3.41 -1.23 -4.90 113.62 111.13 2aas n SER 59 Ca -0.02 -3.37 0.00 0.00 -0.26 0.00 0.00 58.87 55.23 2aas n SER 59 Cb 0.21 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 2aas n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aas n GLN 60 N -0.71 0.00 -3.38 4.33 6.02 -0.36 -5.07 117.38 118.21 2aas n GLN 60 Ca 0.32 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.91 2aas n GLN 60 Cb 1.09 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 32.26 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 2.74 3.76 0.15 -1.09 2.47 -0.73 -4.93 119.74 122.11 2aas s LYS 61 Ca 0.00 -0.20 -0.30 0.00 -1.56 0.00 0.00 55.97 53.91 2aas s LYS 61 Cb 0.00 -3.74 -0.07 0.00 -1.46 0.00 0.00 37.83 32.56 2aas s LYS 61 CO 0.00 -0.44 1.13 1.21 0.16 0.00 0.00 175.35 177.42 2aas s ASN 62 N 1.70 7.20 0.27 1.43 3.84 -1.26 -0.00 114.94 128.11 2aas s ASN 62 Ca 0.14 2.09 0.02 0.00 0.21 0.00 0.00 52.86 55.32 2aas s ASN 62 Cb -0.16 -2.60 -0.04 0.00 -0.55 0.00 0.00 41.25 37.90 2aas s ASN 62 CO 0.11 -0.30 0.17 0.68 -2.79 0.00 0.00 177.10 174.97 2aas s VAL 63 N 0.11 0.13 -0.13 -5.21 -7.23 0.07 -4.92 120.40 103.23 2aas s VAL 63 Ca 0.52 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.59 2aas s VAL 63 Cb -0.30 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.09 2aas s VAL 63 CO 0.34 0.00 0.20 0.00 -0.31 0.00 0.00 175.10 175.33 2aas s ALA 64 N -3.79 3.77 0.80 1.32 0.00 -1.26 -2.70 121.76 119.89 2aas s ALA 64 Ca 0.38 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.66 2aas s ALA 64 Cb 0.05 -2.14 0.08 0.00 0.00 0.00 0.00 23.12 21.11 2aas s ALA 64 CO 0.18 0.41 1.13 0.00 0.00 0.00 0.00 175.76 177.48 2aas h LYS 66 N -1.15 0.51 0.00 0.00 1.57 -1.96 0.11 116.57 115.65 2aas h LYS 66 Ca -0.44 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.27 2aas h LYS 66 Cb 1.25 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 2aas h LYS 66 CO 0.48 0.34 -0.17 -2.95 -0.57 0.00 0.00 179.45 176.58 2aas h ASN 67 N 0.52 0.00 0.00 0.86 -1.07 -2.04 -3.47 115.58 110.39 2aas h ASN 67 Ca 0.66 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.03 2aas h ASN 67 Cb 1.33 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.58 2aas h ASN 67 CO -0.48 0.17 0.00 0.61 0.07 0.00 0.00 177.43 177.80 2aas n GLY 68 N 0.37 1.62 3.78 9.14 0.00 0.38 -5.12 105.19 115.36 2aas n GLY 68 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2aas n GLY 68 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2aas s GLN 69 N 0.00 4.41 0.00 1.61 -2.07 -1.25 -4.65 119.66 117.71 2aas s GLN 69 Ca 0.00 1.39 0.17 0.00 -1.82 0.00 0.00 55.36 55.10 2aas s GLN 69 Cb 0.00 -2.67 0.94 0.00 -1.09 0.00 0.00 33.01 30.19 2aas s GLN 69 CO 0.00 0.10 1.62 0.25 -1.32 0.00 0.00 175.29 175.94 2aas n THR 70 N 0.25 0.04 -1.65 3.63 -2.24 -1.26 -0.39 114.28 112.67 2aas n THR 70 Ca 0.03 -0.06 -0.31 0.00 -2.27 0.00 0.00 64.05 61.44 2aas n THR 70 Cb 0.50 -0.15 0.05 0.00 -2.10 0.00 0.00 70.33 68.63 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 -0.57 6.59 -4.55 3.42 6.94 -1.26 -4.60 115.26 121.23 2aas n ASN 71 Ca 0.13 -3.78 -0.30 0.00 -0.02 0.00 0.00 54.58 50.62 2aas n ASN 71 Cb 0.10 -0.73 -0.10 0.00 -2.36 0.00 0.00 39.78 36.69 2aas n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2aas s TYR 73 N -1.18 0.21 -0.12 0.00 1.51 -0.44 -0.75 117.35 116.57 2aas s TYR 73 Ca 0.20 -0.06 -0.01 0.00 -1.01 0.00 0.00 57.07 56.19 2aas s TYR 73 Cb -0.11 -0.13 -0.02 0.00 -0.11 0.00 0.00 41.96 41.59 2aas s TYR 73 CO 0.12 -0.01 -0.09 -1.14 -1.11 0.00 0.00 175.55 173.33 2aas s GLN 74 N -0.12 3.31 0.27 -0.62 0.74 0.99 -1.84 119.66 122.39 2aas s GLN 74 Ca 0.00 -0.60 -0.30 0.00 0.05 0.00 0.00 55.36 54.51 2aas s GLN 74 Cb -0.01 -2.71 -0.09 0.00 1.10 0.00 0.00 33.01 31.30 2aas s GLN 74 CO -0.00 0.34 1.08 -1.54 -0.55 0.00 0.00 175.29 174.62 2aas s SER 75 N 0.06 7.31 0.49 6.67 1.04 -1.11 -1.77 113.70 126.41 2aas s SER 75 Ca -0.03 2.22 0.28 0.00 0.48 0.00 0.00 55.95 58.90 2aas s SER 75 Cb -0.14 -2.62 1.22 0.00 0.10 0.00 0.00 66.02 64.57 2aas s SER 75 CO 0.04 -0.11 1.95 1.88 0.98 0.00 0.00 173.24 177.97 2aas h TYR 76 N 3.97 0.00 -2.75 5.02 0.05 -1.95 -3.42 116.97 117.88 2aas h TYR 76 Ca -0.46 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 57.74 2aas h TYR 76 Cb 1.21 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.90 2aas h TYR 76 CO 0.59 0.15 -0.53 -1.54 -1.05 0.00 0.00 178.16 175.78 2aas s SER 77 N -6.04 5.88 0.51 3.88 1.04 -1.26 -5.10 113.70 112.61 2aas s SER 77 Ca -0.01 0.03 -0.18 0.00 0.48 0.00 0.00 55.95 56.27 2aas s SER 77 Cb 0.11 -1.66 -0.08 0.00 0.10 0.00 0.00 66.02 64.49 2aas s SER 77 CO 0.59 0.09 1.01 0.42 0.98 0.00 0.00 173.24 176.34 2aas s THR 78 N -1.66 4.09 0.11 2.02 -4.23 -1.26 -4.58 115.64 110.12 2aas s THR 78 Ca 0.32 1.14 0.08 0.00 -1.18 0.00 0.00 61.69 62.05 2aas s THR 78 Cb -0.11 -3.53 -0.03 0.00 1.34 0.00 0.00 72.50 70.17 2aas s THR 78 CO 0.25 -0.44 -0.19 -0.04 -0.54 0.00 0.00 174.62 173.66 2aas s MET 79 N -3.65 1.09 -0.75 3.99 -1.94 0.81 -4.84 119.30 114.02 2aas s MET 79 Ca 0.63 -1.16 -0.26 0.00 -1.71 0.00 0.00 55.69 53.19 2aas s MET 79 Cb -0.13 -1.28 -0.03 0.00 2.01 0.00 0.00 34.83 35.40 2aas s MET 79 CO 0.26 0.29 1.89 0.45 -0.01 0.00 0.00 175.02 177.90 2aas s SER 80 N -1.99 5.24 -0.05 3.03 0.15 -1.26 -1.69 113.70 117.12 2aas s SER 80 Ca 0.06 -0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.60 2aas s SER 80 Cb -0.09 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 2aas s SER 80 CO 0.04 -2.52 -0.13 0.27 1.20 0.00 0.00 173.24 172.10 2aas s ILE 81 N 9.43 3.19 -0.38 6.45 -5.25 0.10 -0.73 121.20 134.00 2aas s ILE 81 Ca 0.68 -0.69 -0.02 0.00 -0.99 0.00 0.00 60.65 59.63 2aas s ILE 81 Cb -0.10 -2.26 0.10 0.00 2.95 0.00 0.00 42.46 43.15 2aas s ILE 81 CO 0.11 0.59 0.16 -0.89 -1.79 0.00 0.00 174.94 173.11 2aas s THR 82 N -0.75 3.17 -0.09 8.37 2.01 0.14 -0.75 115.64 127.74 2aas s THR 82 Ca 0.12 -1.96 -0.30 0.00 0.31 0.00 0.00 61.69 59.86 2aas s THR 82 Cb -0.11 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 2aas s THR 82 CO 0.01 -0.58 1.21 -0.62 -0.69 0.00 0.00 174.62 173.95 2aas s ASP 83 N 1.65 7.02 -0.31 3.53 2.15 0.44 0.06 116.67 131.21 2aas s ASP 83 Ca 0.06 1.77 -0.04 0.00 0.43 0.00 0.00 52.55 54.77 2aas s ASP 83 Cb -0.22 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 39.89 2aas s ASP 83 CO -0.04 -0.64 0.04 0.00 -0.17 0.00 0.00 175.17 174.37 2aas s ARG 85 N 1.33 2.45 0.31 0.00 6.06 -0.02 -1.35 118.95 127.72 2aas s ARG 85 Ca -0.03 -0.91 -0.29 0.00 -2.50 0.00 0.00 55.73 52.00 2aas s ARG 85 Cb -0.19 -2.13 -0.10 0.00 0.06 0.00 0.00 34.95 32.59 2aas s ARG 85 CO 0.00 0.42 1.27 -2.00 -2.50 0.00 0.00 175.30 172.50 2aas s GLU 86 N -0.27 4.41 0.49 5.12 2.12 -0.31 0.40 118.70 130.66 2aas s GLU 86 Ca -0.00 2.13 -0.03 0.00 0.36 0.00 0.00 54.97 57.43 2aas s GLU 86 Cb -0.13 -3.11 -0.01 0.00 0.26 0.00 0.00 34.13 31.15 2aas s GLU 86 CO 0.03 -0.13 0.75 0.95 -0.54 0.00 0.00 175.26 176.32 2aas s THR 87 N -0.97 4.19 0.38 -1.70 -4.23 -0.36 -4.77 115.64 108.19 2aas s THR 87 Ca 0.49 -0.19 0.09 0.00 -1.18 0.00 0.00 61.69 60.90 2aas s THR 87 Cb -0.38 -3.59 0.31 0.00 1.34 0.00 0.00 72.50 70.18 2aas s THR 87 CO 0.49 -0.51 1.96 1.23 -0.54 0.00 0.00 174.62 177.25 2aas h GLY 88 N 0.22 0.87 -2.94 3.99 0.00 -1.97 -2.77 103.07 100.46 2aas h GLY 88 Ca -0.46 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 46.48 2aas h GLY 88 CO 0.60 0.17 0.15 -1.14 0.00 0.00 0.00 176.54 176.32 2aas n SER 89 N -4.49 3.97 -4.36 0.19 3.41 -1.26 -4.78 113.62 106.30 2aas n SER 89 Ca 0.11 -2.79 -0.45 0.00 -0.26 0.00 0.00 58.87 55.48 2aas n SER 89 Cb 0.29 -0.66 -0.01 0.00 -0.26 0.00 0.00 64.21 63.58 2aas n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2aas s SER 90 N -0.53 7.14 -0.04 4.04 0.15 -1.05 -4.69 113.70 118.73 2aas s SER 90 Ca 0.37 -3.26 0.06 0.00 0.70 0.00 0.00 55.95 53.82 2aas s SER 90 Cb 0.30 -2.24 -0.02 0.00 -1.71 0.00 0.00 66.02 62.35 2aas s SER 90 CO 0.10 -0.44 -0.22 -1.59 1.20 0.00 0.00 173.24 172.29 2aas s LYS 91 N -0.45 2.33 0.30 5.44 -2.85 -1.22 -4.70 119.74 118.59 2aas s LYS 91 Ca 0.29 -0.85 -0.30 0.00 -1.00 0.00 0.00 55.97 54.12 2aas s LYS 91 Cb -0.09 -2.18 -0.12 0.00 -2.06 0.00 0.00 37.83 33.38 2aas s LYS 91 CO -0.07 0.54 1.50 0.98 0.10 0.00 0.00 175.35 178.40 2aas n TYR 92 N 2.50 2.66 0.32 1.78 9.36 -1.26 -0.60 117.16 131.92 2aas n TYR 92 Ca -0.17 0.36 0.13 0.00 3.32 0.00 0.00 57.90 61.54 2aas n TYR 92 Cb 0.52 -2.53 0.27 0.00 -0.63 0.00 0.00 39.34 36.96 2aas n TYR 92 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 2aas h PRO 93 N 4.10 0.00 -3.37 2.98 0.13 -1.96 -3.48 132.00 130.40 2aas h PRO 93 Ca -0.47 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 63.95 2aas h PRO 93 Cb 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 2aas h PRO 93 CO 0.74 0.00 3.12 0.27 -0.23 0.00 0.00 178.00 181.91 2aas n ASN 94 N -2.88 6.39 -4.68 1.44 6.94 0.23 -4.92 115.26 117.78 2aas n ASN 94 Ca 0.04 -2.83 -0.42 0.00 -0.02 0.00 0.00 54.58 51.35 2aas n ASN 94 Cb 0.48 -1.55 -0.03 0.00 -2.36 0.00 0.00 39.78 36.32 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 2.91 1.71 -0.01 0.00 0.00 -1.26 -4.87 121.76 120.23 2aas s ALA 96 Ca 0.73 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 52.02 2aas s ALA 96 Cb -0.38 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 2aas s ALA 96 CO 0.32 0.24 -0.16 0.71 0.00 0.00 0.00 175.76 176.86 2aas s TYR 97 N 0.34 1.43 -0.05 0.00 1.51 -1.26 -1.22 117.35 118.10 2aas s TYR 97 Ca -0.13 -0.27 -0.23 0.00 -1.01 0.00 0.00 57.07 55.43 2aas s TYR 97 Cb -0.15 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 40.73 2aas s TYR 97 CO 0.05 -0.03 0.68 0.21 -1.11 0.00 0.00 175.55 175.35 2aas s LYS 98 N -0.37 4.42 -0.08 -0.62 2.20 0.16 -4.24 119.74 121.22 2aas s LYS 98 Ca 0.06 0.85 0.02 0.00 -0.36 0.00 0.00 55.97 56.54 2aas s LYS 98 Cb -0.06 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 2aas s LYS 98 CO -0.01 0.14 -0.14 0.99 -0.36 0.00 0.00 175.35 175.98 2aas s THR 99 N 0.54 3.07 -0.10 3.43 2.01 -1.19 -0.84 115.64 122.56 2aas s THR 99 Ca 0.36 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.65 2aas s THR 99 Cb -0.18 -2.23 0.03 0.00 0.01 0.00 0.00 72.50 70.13 2aas s THR 99 CO 0.18 0.57 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.75 2aas s THR 100 N -0.38 0.74 -0.39 -0.82 2.01 0.13 -4.87 115.64 112.06 2aas s THR 100 Ca 0.04 -0.12 -0.18 0.00 0.31 0.00 0.00 61.69 61.74 2aas s THR 100 Cb -0.12 -0.83 0.01 0.00 0.01 0.00 0.00 72.50 71.57 2aas s THR 100 CO 0.02 0.31 0.50 -1.58 -0.69 0.00 0.00 174.62 173.19 2aas s GLN 101 N 1.82 3.38 0.03 4.92 2.00 -1.26 -0.42 119.66 130.14 2aas s GLN 101 Ca 0.05 -0.41 0.03 0.00 -2.00 0.00 0.00 55.36 53.02 2aas s GLN 101 Cb -0.12 -3.89 -0.02 0.00 0.80 0.00 0.00 33.01 29.78 2aas s GLN 101 CO -0.07 -0.78 -0.09 0.00 -0.50 0.00 0.00 175.29 173.86 2aas s ALA 102 N 2.38 0.69 -0.61 1.58 0.00 0.08 -5.02 121.76 120.85 2aas s ALA 102 Ca 0.17 -0.68 -0.13 0.00 0.00 0.00 0.00 51.96 51.32 2aas s ALA 102 Cb -0.16 -0.04 0.15 0.00 0.00 0.00 0.00 23.12 23.08 2aas s ALA 102 CO 0.15 0.06 0.53 -0.80 0.00 0.00 0.00 175.76 175.70 2aas s ASN 103 N -1.21 6.17 0.14 0.00 -0.87 -1.26 -0.72 114.94 117.20 2aas s ASN 103 Ca -0.05 -2.12 0.05 0.00 -1.57 0.00 0.00 52.86 49.17 2aas s ASN 103 Cb -0.08 -2.14 -0.04 0.00 -0.02 0.00 0.00 41.25 38.96 2aas s ASN 103 CO 0.01 -0.72 -0.11 -0.54 -2.57 0.00 0.00 177.10 173.17 2aas s LYS 104 N 1.06 1.06 0.41 -0.60 1.02 -0.68 -4.71 119.74 117.30 2aas s LYS 104 Ca 0.08 -1.40 -0.21 0.00 0.02 0.00 0.00 55.97 54.47 2aas s LYS 104 Cb -0.23 -0.72 -0.11 0.00 -0.52 0.00 0.00 37.83 36.24 2aas s LYS 104 CO -0.01 0.11 0.94 -1.01 -0.92 0.00 0.00 175.35 174.45 2aas s HIS 105 N -2.96 3.34 -0.02 3.18 3.76 -1.26 -0.13 115.29 121.19 2aas s HIS 105 Ca 0.15 1.60 0.07 0.00 -0.15 0.00 0.00 55.06 56.73 2aas s HIS 105 Cb 0.00 -2.83 -0.02 0.00 1.11 0.00 0.00 32.58 30.84 2aas s HIS 105 CO 0.02 -0.07 -0.24 0.96 -0.85 0.00 0.00 174.74 174.55 2aas s ILE 106 N -2.12 2.19 -0.36 0.60 -4.36 -1.26 0.16 121.20 116.05 2aas s ILE 106 Ca 0.61 -1.06 -0.09 0.00 -0.26 0.00 0.00 60.65 59.84 2aas s ILE 106 Cb -0.10 -1.77 0.03 0.00 1.25 0.00 0.00 42.46 41.87 2aas s ILE 106 CO 0.14 0.58 0.17 -0.63 0.24 0.00 0.00 174.94 175.44 2aas s ILE 107 N -0.63 4.32 -0.09 8.37 1.01 0.63 -2.73 121.20 132.07 2aas s ILE 107 Ca 0.10 -0.90 -0.00 0.00 0.00 0.00 0.00 60.65 59.85 2aas s ILE 107 Cb -0.10 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 2aas s ILE 107 CO -0.01 -0.18 -0.07 0.68 0.00 0.00 0.00 174.94 175.36 2aas s VAL 108 N 1.51 3.69 -0.31 2.92 -7.23 -0.77 -1.55 120.40 118.67 2aas s VAL 108 Ca 0.01 -0.47 -0.26 0.00 -1.81 0.00 0.00 61.98 59.46 2aas s VAL 108 Cb -0.19 -2.53 0.01 0.00 0.56 0.00 0.00 36.38 34.22 2aas s VAL 108 CO 0.05 0.57 0.90 0.00 -0.31 0.00 0.00 175.10 176.32 2aas s ALA 109 N -0.48 3.53 0.00 1.32 0.00 0.70 -1.33 121.76 125.49 2aas s ALA 109 Ca 0.07 -0.27 0.05 0.00 0.00 0.00 0.00 51.96 51.82 2aas s ALA 109 Cb -0.12 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 2aas s ALA 109 CO 0.02 -1.29 -0.15 0.00 0.00 0.00 0.00 175.76 174.33 2aas s GLU 111 N -1.16 1.17 0.00 0.00 2.02 -0.41 -4.91 118.70 115.41 2aas s GLU 111 Ca 0.14 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.45 2aas s GLU 111 Cb -0.11 0.38 0.00 0.00 0.10 0.00 0.00 34.13 34.50 2aas s GLU 111 CO 0.04 -0.54 0.00 0.41 0.02 0.00 0.00 175.26 175.19 2aas n GLY 112 N -0.53 0.78 2.62 -1.39 0.00 -1.26 -0.77 105.19 104.64 2aas n GLY 112 Ca -0.05 -2.12 -0.25 0.00 0.00 0.00 0.00 46.02 43.60 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 0.00 2.52 0.66 1.61 2.47 -1.26 -3.14 114.94 117.80 2aas s ASN 113 Ca 0.00 -0.79 -0.13 0.00 0.42 0.00 0.00 52.86 52.36 2aas s ASN 113 Cb 0.00 -0.10 -0.00 0.00 -1.45 0.00 0.00 41.25 39.70 2aas s ASN 113 CO 0.00 -0.38 1.07 -2.16 -3.72 0.00 0.00 177.10 171.91 2aas s PRO 114 N 2.18 2.93 -0.01 0.43 0.04 -1.26 -5.08 135.00 134.23 2aas s PRO 114 Ca 0.06 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 2aas s PRO 114 Cb -0.16 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 2aas s PRO 114 CO -0.21 -1.12 1.64 -0.47 0.04 0.00 0.00 177.00 176.88 2aas s TYR 115 N -2.66 2.16 0.19 0.56 5.04 -1.19 -4.99 117.35 116.46 2aas s TYR 115 Ca 0.62 0.27 0.02 0.00 -2.44 0.00 0.00 57.07 55.54 2aas s TYR 115 Cb -0.17 -3.91 -0.05 0.00 0.35 0.00 0.00 41.96 38.18 2aas s TYR 115 CO 0.46 -3.78 0.00 0.14 -1.34 0.00 0.00 175.55 171.03 2aas s VAL 116 N 3.51 0.79 0.08 3.14 -7.23 0.05 -4.80 120.40 115.94 2aas s VAL 116 Ca 0.73 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.59 2aas s VAL 116 Cb -0.35 -2.20 -0.08 0.00 0.56 0.00 0.00 36.38 34.31 2aas s VAL 116 CO 0.30 -0.42 1.49 -2.16 -0.31 0.00 0.00 175.10 174.01 2aas s PRO 117 N -3.90 4.26 -0.16 4.82 0.04 -1.26 -1.29 135.00 137.50 2aas s PRO 117 Ca 0.26 2.16 0.07 0.00 0.04 0.00 0.00 61.00 63.52 2aas s PRO 117 Cb 0.06 -3.42 -0.15 0.00 0.04 0.00 0.00 34.50 31.04 2aas s PRO 117 CO 0.06 -0.58 -0.06 1.33 0.04 0.00 0.00 177.00 177.79 2aas n VAL 118 N 4.35 1.02 -3.91 -0.36 0.24 0.52 -4.28 118.33 115.90 2aas n VAL 118 Ca 0.13 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 61.83 2aas n VAL 118 Cb 0.42 -0.90 -0.12 0.00 -1.47 0.00 0.00 33.84 31.76 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 -2.36 0.09 -0.01 6.34 3.76 -1.03 -3.17 115.29 118.91 2aas s HIS 119 Ca -0.16 -0.19 -0.02 0.00 -0.15 0.00 0.00 55.06 54.53 2aas s HIS 119 Cb 0.05 -0.08 -0.04 0.00 1.11 0.00 0.00 32.58 33.63 2aas s HIS 119 CO 0.50 -0.11 0.17 0.12 -0.85 0.00 0.00 174.74 174.56 2aas s PHE 120 N -0.73 3.51 0.00 1.40 5.36 -1.26 -0.22 117.98 126.05 2aas s PHE 120 Ca -0.08 0.33 0.00 0.00 -0.96 0.00 0.00 56.93 56.22 2aas s PHE 120 Cb -0.05 -1.81 0.00 0.00 -0.34 0.00 0.00 43.02 40.82 2aas s PHE 120 CO -0.00 0.63 0.00 -3.47 -1.46 0.00 0.00 175.22 170.92 2aas n ASP 121 N 0.96 0.00 -4.20 6.13 2.03 -0.59 -4.88 116.55 116.00 2aas n ASP 121 Ca -0.11 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 54.97 2aas n ASP 121 Cb 0.53 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.79 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 -2.00 1.48 -0.26 -1.67 0.00 -1.19 -5.01 121.76 113.11 2aas s ALA 122 Ca 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 50.95 2aas s ALA 122 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 2aas s ALA 122 CO 0.00 0.32 0.09 -1.54 0.00 0.00 0.00 175.76 174.63 2aas s SER 123 N -1.08 5.25 0.00 0.00 1.04 -1.26 -0.27 113.70 117.38 2aas s SER 123 Ca 0.05 -0.26 0.27 0.00 0.48 0.00 0.00 55.95 56.49 2aas s SER 123 Cb -0.08 -1.95 0.80 0.00 0.10 0.00 0.00 66.02 64.89 2aas s SER 123 CO 0.01 -0.06 1.60 0.52 0.98 0.00 0.00 173.24 176.29