#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 3.36 0.71 1.64 2.12 -1.26 -5.02 118.70 120.24 2aas s GLU 2 Ca 0.00 -0.22 -0.10 0.00 0.36 0.00 0.00 54.97 55.01 2aas s GLU 2 Cb 0.00 -3.97 0.03 0.00 0.26 0.00 0.00 34.13 30.45 2aas s GLU 2 CO 0.00 -1.18 1.07 0.95 -0.54 0.00 0.00 175.26 175.56 2aas s THR 3 N 3.32 3.13 0.26 -1.70 -4.23 -1.26 -4.96 115.64 110.20 2aas s THR 3 Ca 0.28 0.25 -0.04 0.00 -1.18 0.00 0.00 61.69 61.00 2aas s THR 3 Cb -0.13 -3.34 0.27 0.00 1.34 0.00 0.00 72.50 70.64 2aas s THR 3 CO 0.21 -0.43 1.91 0.00 -0.54 0.00 0.00 174.62 175.77 2aas h ALA 4 N -0.65 1.36 -0.71 3.99 0.00 -1.96 -1.36 119.26 119.93 2aas h ALA 4 Ca -0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2aas h ALA 4 Cb 1.27 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2aas h ALA 4 CO 0.63 0.54 0.42 0.00 0.00 0.00 0.00 179.25 180.84 2aas h ALA 5 N 1.43 0.91 -0.66 0.00 0.00 -1.76 -1.07 119.26 118.11 2aas h ALA 5 Ca 0.40 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 2aas h ALA 5 Cb 0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2aas h ALA 5 CO -0.13 0.40 0.22 0.00 0.00 0.00 0.00 179.25 179.74 2aas h ALA 6 N 1.22 0.86 -0.48 0.00 0.00 -1.68 -2.27 119.26 116.89 2aas h ALA 6 Ca 0.25 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2aas h ALA 6 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2aas h ALA 6 CO -0.05 0.51 -0.03 -0.22 0.00 0.00 0.00 179.25 179.47 2aas h LYS 7 N 0.94 0.87 -0.30 0.00 3.64 -0.53 -0.51 116.57 120.69 2aas h LYS 7 Ca 0.21 -0.29 0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2aas h LYS 7 Cb 0.27 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.93 2aas h LYS 7 CO -0.01 0.93 -0.37 0.35 -2.27 0.00 0.00 179.45 178.08 2aas h PHE 8 N 0.73 -1.04 -0.51 1.91 3.57 -1.12 0.68 116.94 121.16 2aas h PHE 8 Ca 0.13 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.79 2aas h PHE 8 Cb 0.55 0.50 -0.08 0.00 2.79 0.00 0.00 35.95 39.70 2aas h PHE 8 CO 0.04 -0.42 -0.01 0.93 -2.23 0.00 0.00 178.31 176.62 2aas h GLU 9 N -0.35 0.11 0.93 1.11 5.08 -0.85 0.56 114.58 121.17 2aas h GLU 9 Ca 0.13 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2aas h GLU 9 Cb 0.57 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.80 2aas h GLU 9 CO -0.49 0.07 -0.48 0.00 -1.00 0.00 0.00 179.01 177.11 2aas h ARG 10 N 0.11 -1.25 -0.17 2.33 3.08 -0.72 0.23 114.38 117.99 2aas h ARG 10 Ca 0.26 0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.34 2aas h ARG 10 Cb 0.39 0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 2aas h ARG 10 CO -0.43 -0.83 -0.10 1.96 -1.07 0.00 0.00 179.97 179.50 2aas h GLN 11 N -1.30 0.26 0.00 0.04 4.20 -0.59 -3.39 115.11 114.34 2aas h GLN 11 Ca -0.13 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 2aas h GLN 11 Cb 1.01 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 2aas h GLN 11 CO 0.19 0.38 -1.19 0.72 -0.67 0.00 0.00 178.83 178.25 2aas n HIS 12 N -4.29 0.00 -2.80 2.96 8.25 0.16 -4.47 115.22 115.03 2aas n HIS 12 Ca -0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2aas n HIS 12 Cb 0.25 -0.13 -0.04 0.00 1.12 0.00 0.00 29.99 31.20 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 3.95 -0.34 -0.41 -1.94 0.07 0.40 119.30 118.96 2aas s MET 13 Ca -0.05 0.73 0.09 0.00 -1.71 0.00 0.00 55.69 54.76 2aas s MET 13 Cb 0.02 -3.76 0.45 0.00 2.01 0.00 0.00 34.83 33.55 2aas s MET 13 CO 0.07 -0.84 1.13 -0.25 -0.01 0.00 0.00 175.02 175.12 2aas n ASP 14 N 6.60 4.07 0.26 3.03 9.92 -0.24 -4.89 116.55 135.31 2aas n ASP 14 Ca 0.07 -3.41 0.10 0.00 -0.53 0.00 0.00 54.79 51.02 2aas n ASP 14 Cb 0.48 -0.42 0.69 0.00 -0.64 0.00 0.00 41.12 41.23 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 2.45 0.00 -0.04 -2.24 4.64 -1.75 -1.66 113.55 114.96 2aas h SER 15 Ca 0.23 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.56 2aas h SER 15 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2aas h SER 15 CO 0.69 0.04 0.03 0.77 -0.87 0.00 0.00 176.83 177.49 2aas h SER 16 N 0.00 0.00 -4.24 4.97 4.64 -1.91 -3.42 113.55 113.59 2aas h SER 16 Ca -0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 2aas h SER 16 Cb 0.08 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 61.89 2aas h SER 16 CO 0.01 0.00 -0.84 0.42 -0.87 0.00 0.00 176.83 175.54 2aas s THR 17 N -5.04 2.42 -0.18 2.95 -4.23 -0.62 -5.05 115.64 105.89 2aas s THR 17 Ca -0.05 -0.96 0.16 0.00 -1.18 0.00 0.00 61.69 59.67 2aas s THR 17 Cb 0.17 -1.89 0.06 0.00 1.34 0.00 0.00 72.50 72.17 2aas s THR 17 CO 0.67 0.58 1.36 0.77 -0.54 0.00 0.00 174.62 177.45 2aas h SER 18 N 5.63 0.00 -4.47 3.99 4.64 -1.82 -3.43 113.55 118.08 2aas h SER 18 Ca -0.41 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.98 2aas h SER 18 Cb 1.15 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.05 2aas h SER 18 CO 0.48 0.45 0.46 0.00 -0.87 0.00 0.00 176.83 177.36 2aas s ALA 19 N -2.99 -1.86 -0.74 5.18 0.00 -1.26 -4.83 121.76 115.26 2aas s ALA 19 Ca 0.03 1.30 -0.26 0.00 0.00 0.00 0.00 51.96 53.04 2aas s ALA 19 Cb 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 2aas s ALA 19 CO 0.75 -0.47 1.87 0.00 0.00 0.00 0.00 175.76 177.91 2aas s ALA 20 N -1.94 1.99 -2.00 0.00 0.00 -1.26 -4.87 121.76 113.68 2aas s ALA 20 Ca -0.01 -1.07 0.10 0.00 0.00 0.00 0.00 51.96 50.99 2aas s ALA 20 Cb -0.01 -4.41 0.60 0.00 0.00 0.00 0.00 23.12 19.30 2aas s ALA 20 CO -0.01 -4.25 1.12 -1.13 0.00 0.00 0.00 175.76 171.48 2aas n SER 21 N 13.05 0.00 -3.67 0.00 3.41 -1.26 -4.63 113.62 120.52 2aas n SER 21 Ca 0.28 -0.98 -0.14 0.00 -0.26 0.00 0.00 58.87 57.77 2aas n SER 21 Cb 0.50 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.67 -0.48 0.33 4.04 0.15 -1.26 -5.02 113.70 109.79 2aas s SER 22 Ca 0.15 0.73 0.20 0.00 0.70 0.00 0.00 55.95 57.73 2aas s SER 22 Cb 0.07 0.76 1.07 0.00 -1.71 0.00 0.00 66.02 66.21 2aas s SER 22 CO 0.12 -0.34 1.58 -1.54 1.20 0.00 0.00 173.24 174.25 2aas n SER 23 N 2.00 0.51 -0.41 5.45 3.41 -1.26 -1.83 113.62 121.49 2aas n SER 23 Ca -0.17 0.71 0.07 0.00 -0.26 0.00 0.00 58.87 59.22 2aas n SER 23 Cb 0.56 -0.75 0.12 0.00 -0.26 0.00 0.00 64.21 63.88 2aas n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2aas n ASN 24 N -2.21 1.63 -0.13 4.04 4.13 -1.26 -1.92 115.26 119.53 2aas n ASN 24 Ca -0.01 -2.97 -0.04 0.00 1.68 0.00 0.00 54.58 53.23 2aas n ASN 24 Cb 0.11 -0.40 0.02 0.00 -1.54 0.00 0.00 39.78 37.97 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 0.32 -0.31 0.00 3.10 3.20 -1.66 -2.43 116.97 119.19 2aas h TYR 25 Ca -0.02 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2aas h TYR 25 Cb 1.16 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.63 2aas h TYR 25 CO 0.21 -0.22 -0.00 0.00 -1.64 0.00 0.00 178.16 176.51 2aas h ASN 27 N 0.00 -1.62 -0.00 0.00 4.21 -1.69 0.13 115.58 116.61 2aas h ASN 27 Ca -0.00 0.24 -0.04 0.00 1.21 0.00 0.00 56.30 57.71 2aas h ASN 27 Cb 0.01 0.71 0.00 0.00 -1.12 0.00 0.00 38.32 37.92 2aas h ASN 27 CO 0.00 -0.21 -0.16 -0.61 -1.29 0.00 0.00 177.43 175.16 2aas h GLN 28 N -0.07 0.12 -0.98 0.81 5.75 -1.76 -3.36 115.11 115.61 2aas h GLN 28 Ca 0.11 -0.12 0.13 0.00 -0.15 0.00 0.00 58.65 58.62 2aas h GLN 28 Cb 0.35 0.03 -0.09 0.00 1.07 0.00 0.00 27.48 28.84 2aas h GLN 28 CO -0.67 0.86 0.61 1.98 -2.65 0.00 0.00 178.83 178.96 2aas h MET 29 N -0.58 0.89 -0.38 1.69 4.05 -1.36 -0.63 114.93 118.61 2aas h MET 29 Ca -0.02 -0.05 0.06 0.00 -0.28 0.00 0.00 59.70 59.40 2aas h MET 29 Cb 0.92 -0.20 -0.05 0.00 -0.80 0.00 0.00 31.60 31.47 2aas h MET 29 CO 0.03 0.59 0.09 0.52 0.23 0.00 0.00 176.91 178.37 2aas h MET 30 N 0.92 0.21 -0.50 0.39 2.86 -0.91 -2.58 114.93 115.32 2aas h MET 30 Ca 0.51 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 58.02 2aas h MET 30 Cb 0.57 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 2aas h MET 30 CO -0.29 0.14 -0.14 0.87 1.06 0.00 0.00 176.91 178.54 2aas h LYS 31 N 0.22 0.96 -0.74 1.72 1.57 -1.32 -2.51 116.57 116.46 2aas h LYS 31 Ca 0.18 -0.36 0.05 0.00 -1.87 0.00 0.00 60.65 58.65 2aas h LYS 31 Cb 0.21 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 2aas h LYS 31 CO -0.23 1.03 0.44 0.77 -0.57 0.00 0.00 179.45 180.89 2aas h SER 32 N 0.84 0.69 -0.08 0.86 0.02 -0.83 -1.08 113.55 113.99 2aas h SER 32 Ca 0.13 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2aas h SER 32 Cb 0.70 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2aas h SER 32 CO 0.05 0.45 0.01 0.54 -1.14 0.00 0.00 176.83 176.75 2aas n ARG 33 N -4.70 1.41 -2.24 3.45 3.00 -1.04 -4.88 116.66 111.67 2aas n ARG 33 Ca 0.10 -0.37 -0.05 0.00 -0.01 0.00 0.00 57.85 57.51 2aas n ARG 33 Cb 0.15 -1.52 -0.01 0.00 0.00 0.00 0.00 32.46 31.09 2aas n ARG 33 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2aas n ASN 34 N 0.11 -2.06 0.19 0.55 2.04 -0.41 -4.82 115.26 110.86 2aas n ASN 34 Ca 0.04 0.33 0.06 0.00 -0.44 0.00 0.00 54.58 54.57 2aas n ASN 34 Cb 0.41 -1.90 0.35 0.00 -2.53 0.00 0.00 39.78 36.11 2aas n ASN 34 CO 0.00 0.00 0.00 -0.07 -0.44 0.00 0.00 177.26 176.75 2aas h LEU 35 N 0.00 0.00 -3.58 -4.53 3.38 -1.64 -3.15 115.31 105.79 2aas h LEU 35 Ca -0.12 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.59 2aas h LEU 35 Cb 0.95 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.55 2aas h LEU 35 CO 0.15 0.36 0.19 0.35 0.09 0.00 0.00 178.44 179.57 2aas n THR 36 N -3.52 2.76 0.55 0.22 -2.24 -1.26 -4.52 114.28 106.27 2aas n THR 36 Ca -0.00 -2.24 0.10 0.00 -2.27 0.00 0.00 64.05 59.64 2aas n THR 36 Cb 0.50 -0.36 0.43 0.00 -2.10 0.00 0.00 70.33 68.80 2aas n THR 36 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2aas n LYS 37 N -0.90 0.10 0.05 -0.78 4.81 -1.19 -3.63 118.16 116.61 2aas n LYS 37 Ca 0.40 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 2aas n LYS 37 Cb 1.25 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 34.64 2aas n LYS 37 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2aas n ASP 38 N -1.84 1.08 -4.29 3.14 2.03 -1.26 -5.08 116.55 110.33 2aas n ASP 38 Ca 0.04 0.15 -0.16 0.00 0.52 0.00 0.00 54.79 55.33 2aas n ASP 38 Cb 0.25 -0.32 -0.10 0.00 -0.72 0.00 0.00 41.12 40.22 2aas n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aas s ARG 39 N -1.99 1.19 -0.10 -0.67 1.70 -1.24 -4.93 118.95 112.92 2aas s ARG 39 Ca 0.00 -1.54 -0.29 0.00 -0.47 0.00 0.00 55.73 53.43 2aas s ARG 39 Cb 0.00 -0.76 -0.05 0.00 -0.57 0.00 0.00 34.95 33.57 2aas s ARG 39 CO 0.00 0.07 1.69 0.00 -1.08 0.00 0.00 175.30 175.98 2aas s LYS 41 N 4.33 4.23 0.17 0.00 2.20 -1.26 -4.95 119.74 124.46 2aas s LYS 41 Ca 0.75 2.28 -0.22 0.00 -0.36 0.00 0.00 55.97 58.42 2aas s LYS 41 Cb -0.32 -3.31 0.09 0.00 -1.51 0.00 0.00 37.83 32.78 2aas s LYS 41 CO 0.30 -0.61 1.59 -1.35 -0.36 0.00 0.00 175.35 174.93 2aas h PRO 42 N 7.24 -0.20 -4.51 4.03 0.11 -1.97 -3.42 132.00 133.28 2aas h PRO 42 Ca -0.42 0.01 -0.29 0.00 0.11 0.00 0.00 66.00 65.41 2aas h PRO 42 Cb 1.20 0.05 -0.24 0.00 0.11 0.00 0.00 31.00 32.12 2aas h PRO 42 CO 0.91 -0.13 -0.74 0.08 -0.21 0.00 0.00 178.00 177.90 2aas s VAL 43 N -6.00 0.52 0.07 3.15 1.01 -1.26 -1.06 120.40 116.82 2aas s VAL 43 Ca -0.15 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 2aas s VAL 43 Cb 0.14 -0.54 0.03 0.00 0.00 0.00 0.00 36.38 36.01 2aas s VAL 43 CO 0.68 -0.22 0.35 0.21 0.00 0.00 0.00 175.10 176.13 2aas s ASN 44 N -1.12 -0.18 -0.14 3.32 3.84 0.37 -4.99 114.94 116.03 2aas s ASN 44 Ca -0.06 -0.20 -0.03 0.00 0.21 0.00 0.00 52.86 52.78 2aas s ASN 44 Cb -0.07 0.41 0.05 0.00 -0.55 0.00 0.00 41.25 41.08 2aas s ASN 44 CO 0.00 -0.70 0.05 -0.89 -2.79 0.00 0.00 177.10 172.77 2aas s THR 45 N -2.94 0.20 0.29 -5.21 2.01 -1.26 -0.40 115.64 108.33 2aas s THR 45 Ca -0.02 -0.16 -0.16 0.00 0.31 0.00 0.00 61.69 61.65 2aas s THR 45 Cb 0.00 -0.66 -0.09 0.00 0.01 0.00 0.00 72.50 71.76 2aas s THR 45 CO -0.06 -0.10 0.73 -0.36 -0.69 0.00 0.00 174.62 174.15 2aas s PHE 46 N 2.02 3.46 -0.28 4.92 0.08 0.81 -4.44 117.98 124.56 2aas s PHE 46 Ca 0.02 1.27 0.03 0.00 0.12 0.00 0.00 56.93 58.37 2aas s PHE 46 Cb -0.15 -2.56 0.07 0.00 -0.57 0.00 0.00 43.02 39.80 2aas s PHE 46 CO -0.07 0.17 -0.06 0.08 -0.10 0.00 0.00 175.22 175.23 2aas s VAL 47 N -1.84 2.11 -1.39 -0.44 1.01 0.16 0.61 120.40 120.62 2aas s VAL 47 Ca 0.51 -1.76 -0.08 0.00 0.00 0.00 0.00 61.98 60.65 2aas s VAL 47 Cb -0.12 -2.32 0.08 0.00 0.00 0.00 0.00 36.38 34.02 2aas s VAL 47 CO 0.18 -0.18 2.42 1.41 0.00 0.00 0.00 175.10 178.94 2aas n HIS 48 N 4.42 2.66 -4.06 5.22 8.25 0.14 -1.07 115.22 130.77 2aas n HIS 48 Ca -0.09 -2.89 -0.07 0.00 -0.26 0.00 0.00 57.72 54.41 2aas n HIS 48 Cb 0.42 -2.04 -0.10 0.00 1.12 0.00 0.00 29.99 29.39 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 0.10 0.64 0.61 -0.41 0.41 -1.26 -4.52 118.70 114.26 2aas s GLU 49 Ca 0.55 -1.18 -0.17 0.00 -0.41 0.00 0.00 54.97 53.75 2aas s GLU 49 Cb 0.17 0.23 -0.02 0.00 -1.78 0.00 0.00 34.13 32.72 2aas s GLU 49 CO -0.07 -0.13 1.15 -1.54 -0.49 0.00 0.00 175.26 174.19 2aas s SER 50 N -2.91 5.22 0.23 -0.19 1.04 -1.26 -3.70 113.70 112.12 2aas s SER 50 Ca 0.07 2.21 -0.06 0.00 0.48 0.00 0.00 55.95 58.64 2aas s SER 50 Cb 0.08 -2.58 0.37 0.00 0.10 0.00 0.00 66.02 63.98 2aas s SER 50 CO -0.10 -1.56 1.76 0.25 0.98 0.00 0.00 173.24 174.57 2aas h LEU 51 N 0.60 0.38 -0.85 2.42 5.85 -1.99 -1.75 115.31 119.97 2aas h LEU 51 Ca -0.49 0.08 0.21 0.00 0.84 0.00 0.00 57.88 58.52 2aas h LEU 51 Cb 1.27 0.02 -0.13 0.00 0.37 0.00 0.00 40.66 42.19 2aas h LEU 51 CO 0.55 0.20 0.26 0.00 -0.34 0.00 0.00 178.44 179.11 2aas h ALA 52 N 1.46 1.23 -0.69 1.25 0.00 -1.99 0.21 119.26 120.73 2aas h ALA 52 Ca 0.36 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.44 2aas h ALA 52 Cb 0.45 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2aas h ALA 52 CO -0.31 -0.40 0.32 -0.44 0.00 0.00 0.00 179.25 178.42 2aas h ASP 53 N 0.27 0.92 1.07 0.00 3.32 -1.70 -2.22 116.42 118.08 2aas h ASP 53 Ca 0.52 -0.14 -0.19 0.00 0.02 0.00 0.00 57.03 57.24 2aas h ASP 53 Cb 1.00 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 2aas h ASP 53 CO -0.59 0.80 -0.94 0.58 -1.72 0.00 0.00 179.24 177.38 2aas h VAL 54 N 0.97 1.45 0.00 -1.35 2.07 -0.89 -2.86 116.25 115.65 2aas h VAL 54 Ca 0.24 -3.09 -0.01 0.00 0.82 0.00 0.00 66.70 64.66 2aas h VAL 54 Cb 0.14 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.62 2aas h VAL 54 CO -0.03 0.83 -0.05 1.56 0.02 0.00 0.00 177.57 179.91 2aas h GLN 55 N 0.00 0.00 -0.12 1.57 4.20 -0.45 -1.00 115.11 119.31 2aas h GLN 55 Ca -0.03 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.72 2aas h GLN 55 Cb 1.70 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.47 2aas h GLN 55 CO 0.11 0.05 0.11 0.00 -0.67 0.00 0.00 178.83 178.42 2aas h ALA 56 N 1.95 1.90 -0.08 3.87 0.00 -1.16 -2.38 119.26 123.37 2aas h ALA 56 Ca -0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2aas h ALA 56 Cb 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2aas h ALA 56 CO 0.01 -0.17 -0.68 0.28 0.00 0.00 0.00 179.25 178.69 2aas h VAL 57 N 0.00 1.39 0.00 0.00 2.07 -1.27 -2.51 116.25 115.92 2aas h VAL 57 Ca 0.06 -2.09 -0.00 0.00 0.82 0.00 0.00 66.70 65.49 2aas h VAL 57 Cb 0.27 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2aas h VAL 57 CO -0.00 0.62 -0.01 0.00 0.02 0.00 0.00 177.57 178.21 2aas n SER 59 N -3.16 2.68 0.00 0.00 7.64 -0.95 -4.95 113.62 114.88 2aas n SER 59 Ca -0.02 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 57.96 2aas n SER 59 Cb 0.12 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 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 0.98 3.51 -2.63 1.43 6.02 -0.46 -5.05 117.38 121.17 2aas n GLN 60 Ca 0.18 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.74 2aas n GLN 60 Cb 0.47 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.71 2aas n GLN 60 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2aas s LYS 61 N 2.91 4.44 0.30 -1.09 1.02 -1.25 -4.81 119.74 121.27 2aas s LYS 61 Ca 0.00 1.47 -0.29 0.00 0.02 0.00 0.00 55.97 57.17 2aas s LYS 61 Cb 0.00 -3.52 -0.10 0.00 -0.52 0.00 0.00 37.83 33.69 2aas s LYS 61 CO 0.00 -0.28 1.35 1.21 -0.92 0.00 0.00 175.35 176.71 2aas s ASN 62 N 1.15 6.73 0.20 2.83 3.04 -1.26 -1.55 114.94 126.07 2aas s ASN 62 Ca 0.51 2.68 -0.00 0.00 0.04 0.00 0.00 52.86 56.09 2aas s ASN 62 Cb -0.21 -2.64 -0.04 0.00 -1.54 0.00 0.00 41.25 36.82 2aas s ASN 62 CO 0.21 -0.60 0.09 0.68 -3.04 0.00 0.00 177.10 174.45 2aas s VAL 63 N -0.76 0.23 -0.06 -5.21 -7.23 0.25 -4.90 120.40 102.73 2aas s VAL 63 Ca 0.52 -1.98 -0.14 0.00 -1.81 0.00 0.00 61.98 58.57 2aas s VAL 63 Cb -0.40 -2.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.08 2aas s VAL 63 CO 0.50 -0.14 0.36 0.00 -0.31 0.00 0.00 175.10 175.51 2aas s ALA 64 N -3.99 3.68 0.77 1.32 0.00 -1.26 -2.55 121.76 119.73 2aas s ALA 64 Ca 0.34 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 51.87 2aas s ALA 64 Cb 0.07 -2.36 0.06 0.00 0.00 0.00 0.00 23.12 20.89 2aas s ALA 64 CO 0.10 0.38 1.11 0.00 0.00 0.00 0.00 175.76 177.34 2aas h LYS 66 N -0.97 0.26 -0.01 0.00 1.79 -1.91 0.25 116.57 115.98 2aas h LYS 66 Ca -0.44 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 2aas h LYS 66 Cb 1.24 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2aas h LYS 66 CO 0.51 0.17 -0.10 0.27 -1.08 0.00 0.00 179.45 179.22 2aas n ASN 67 N -4.57 0.88 0.00 0.86 6.94 -1.26 -4.93 115.26 113.18 2aas n ASN 67 Ca 0.28 -1.00 0.00 0.00 -0.02 0.00 0.00 54.58 53.84 2aas n ASN 67 Cb 1.05 0.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.48 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 1.23 0.58 3.69 4.83 0.00 0.87 -5.06 105.19 111.33 2aas n GLY 68 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2aas n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2aas s GLN 69 N -0.92 4.25 0.32 1.61 -0.44 -1.25 -4.68 119.66 118.56 2aas s GLN 69 Ca 0.00 2.08 0.26 0.00 -2.50 0.00 0.00 55.36 55.20 2aas s GLN 69 Cb 0.00 -3.58 1.06 0.00 -1.64 0.00 0.00 33.01 28.85 2aas s GLN 69 CO 0.00 -0.63 1.77 1.79 0.50 0.00 0.00 175.29 178.72 2aas h THR 70 N 4.89 0.00 -2.52 -0.34 1.35 -1.92 0.17 112.91 114.54 2aas h THR 70 Ca -0.39 -0.29 -0.80 0.00 -0.55 0.00 0.00 66.41 64.38 2aas h THR 70 Cb 1.18 1.08 -0.25 0.00 -1.73 0.00 0.00 68.15 68.43 2aas h THR 70 CO 0.91 0.00 1.09 -0.46 -0.25 0.00 0.00 175.52 176.81 2aas n ASN 71 N -2.41 6.32 -4.18 5.36 6.94 -1.26 -4.54 115.26 121.48 2aas n ASN 71 Ca 0.02 -3.38 -0.18 0.00 -0.02 0.00 0.00 54.58 51.02 2aas n ASN 71 Cb 0.25 -1.30 -0.12 0.00 -2.36 0.00 0.00 39.78 36.25 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 -1.45 0.60 0.18 0.00 2.02 -0.03 -0.58 117.35 118.09 2aas s TYR 73 Ca -0.00 -0.38 0.07 0.00 -0.37 0.00 0.00 57.07 56.38 2aas s TYR 73 Cb -0.09 -0.37 -0.04 0.00 -0.40 0.00 0.00 41.96 41.06 2aas s TYR 73 CO 0.02 -0.06 0.05 -1.14 -1.57 0.00 0.00 175.55 172.85 2aas s GLN 74 N -1.16 2.58 0.09 -0.62 0.74 -0.60 -1.43 119.66 119.27 2aas s GLN 74 Ca -0.07 -1.05 -0.10 0.00 0.05 0.00 0.00 55.36 54.19 2aas s GLN 74 Cb -0.08 -2.45 -0.06 0.00 1.10 0.00 0.00 33.01 31.53 2aas s GLN 74 CO 0.00 0.45 0.43 -1.54 -0.55 0.00 0.00 175.29 174.08 2aas s SER 75 N -3.10 6.67 0.00 6.67 1.04 -0.60 -3.77 113.70 120.59 2aas s SER 75 Ca 0.29 0.83 0.30 0.00 0.48 0.00 0.00 55.95 57.85 2aas s SER 75 Cb -0.09 -2.19 1.41 0.00 0.10 0.00 0.00 66.02 65.24 2aas s SER 75 CO 0.21 0.15 1.95 -1.22 0.98 0.00 0.00 173.24 175.31 2aas n TYR 76 N 0.86 0.00 -4.21 5.02 4.01 -1.26 -4.49 117.16 117.09 2aas n TYR 76 Ca -0.07 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.49 2aas n TYR 76 Cb 0.52 -0.03 -0.07 0.00 -0.31 0.00 0.00 39.34 39.46 2aas n TYR 76 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2aas s SER 77 N -2.08 1.34 0.08 7.72 1.04 -1.26 -5.08 113.70 115.46 2aas s SER 77 Ca 0.40 -1.64 -0.21 0.00 0.48 0.00 0.00 55.95 54.98 2aas s SER 77 Cb 0.21 0.59 -0.07 0.00 0.10 0.00 0.00 66.02 66.86 2aas s SER 77 CO 0.37 -1.14 0.64 0.42 0.98 0.00 0.00 173.24 174.50 2aas s THR 78 N -3.32 4.68 0.10 2.02 -4.23 -1.26 -4.40 115.64 109.23 2aas s THR 78 Ca 0.37 1.37 0.10 0.00 -1.18 0.00 0.00 61.69 62.35 2aas s THR 78 Cb 0.01 -3.98 -0.04 0.00 1.34 0.00 0.00 72.50 69.84 2aas s THR 78 CO 0.24 0.51 -0.27 -0.04 -0.54 0.00 0.00 174.62 174.53 2aas s MET 79 N -0.90 1.51 -0.59 3.99 -1.94 0.58 -4.79 119.30 117.15 2aas s MET 79 Ca 0.31 -1.27 -0.27 0.00 -1.71 0.00 0.00 55.69 52.75 2aas s MET 79 Cb -0.20 -1.90 -0.01 0.00 2.01 0.00 0.00 34.83 34.73 2aas s MET 79 CO 0.21 0.46 1.72 0.45 -0.01 0.00 0.00 175.02 177.85 2aas s SER 80 N -1.81 5.55 0.02 3.03 0.15 -1.26 -1.91 113.70 117.47 2aas s SER 80 Ca 0.13 0.33 0.09 0.00 0.70 0.00 0.00 55.95 57.20 2aas s SER 80 Cb -0.10 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 2aas s SER 80 CO 0.05 -2.16 -0.25 0.27 1.20 0.00 0.00 173.24 172.35 2aas s ILE 81 N 8.05 2.18 -0.45 6.45 -5.25 0.54 -0.69 121.20 132.04 2aas s ILE 81 Ca 0.63 -1.27 -0.01 0.00 -0.99 0.00 0.00 60.65 59.01 2aas s ILE 81 Cb -0.13 -1.82 0.12 0.00 2.95 0.00 0.00 42.46 43.58 2aas s ILE 81 CO 0.22 0.44 0.22 -0.89 -1.79 0.00 0.00 174.94 173.14 2aas s THR 82 N -0.75 3.08 -0.29 8.37 2.01 0.20 -0.66 115.64 127.60 2aas s THR 82 Ca 0.11 -2.42 -0.22 0.00 0.31 0.00 0.00 61.69 59.46 2aas s THR 82 Cb -0.10 -3.12 -0.00 0.00 0.01 0.00 0.00 72.50 69.28 2aas s THR 82 CO 0.01 -0.72 0.74 -0.62 -0.69 0.00 0.00 174.62 173.34 2aas s ASP 83 N 1.19 6.63 0.01 3.53 -1.08 -0.10 -0.13 116.67 126.72 2aas s ASP 83 Ca 0.11 0.65 0.05 0.00 -0.52 0.00 0.00 52.55 52.84 2aas s ASP 83 Cb -0.22 -2.38 -0.02 0.00 -1.46 0.00 0.00 42.92 38.84 2aas s ASP 83 CO -0.04 -0.55 -0.15 0.00 0.52 0.00 0.00 175.17 174.95 2aas s ARG 85 N -0.66 0.37 0.38 0.00 3.00 -0.71 -0.48 118.95 120.85 2aas s ARG 85 Ca 0.05 -0.03 -0.28 0.00 -1.00 0.00 0.00 55.73 54.47 2aas s ARG 85 Cb -0.07 0.16 -0.11 0.00 0.00 0.00 0.00 34.95 34.94 2aas s ARG 85 CO 0.00 -0.08 1.47 0.39 0.00 0.00 0.00 175.30 177.09 2aas n GLU 86 N 2.22 2.62 -2.16 5.12 1.02 -0.23 -0.37 120.64 128.87 2aas n GLU 86 Ca -0.17 0.92 -0.28 0.00 -0.02 0.00 0.00 57.16 57.61 2aas n GLU 86 Cb 0.57 -2.65 0.04 0.00 -0.02 0.00 0.00 31.44 29.38 2aas n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2aas s THR 87 N -1.12 3.38 -0.61 2.62 -4.23 0.16 -4.71 115.64 111.13 2aas s THR 87 Ca 0.54 0.16 0.13 0.00 -1.18 0.00 0.00 61.69 61.33 2aas s THR 87 Cb -0.48 -3.40 0.13 0.00 1.34 0.00 0.00 72.50 70.09 2aas s THR 87 CO 0.63 -0.46 1.39 0.61 -0.54 0.00 0.00 174.62 176.26 2aas n GLY 88 N -2.81 -0.77 0.69 3.99 0.00 -1.26 -1.79 105.19 103.23 2aas n GLY 88 Ca 0.06 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.26 2aas n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2aas n SER 89 N -1.90 3.50 -4.47 1.61 7.64 -1.26 -4.95 113.62 113.79 2aas n SER 89 Ca -0.00 -3.04 -0.43 0.00 1.01 0.00 0.00 58.87 56.40 2aas n SER 89 Cb 0.05 -0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.71 2aas n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2aas s SER 90 N -2.18 6.61 0.28 6.43 0.15 -0.74 -4.57 113.70 119.67 2aas s SER 90 Ca 0.40 -1.94 0.09 0.00 0.70 0.00 0.00 55.95 55.20 2aas s SER 90 Cb 0.33 -2.43 -0.04 0.00 -1.71 0.00 0.00 66.02 62.17 2aas s SER 90 CO 0.07 -1.14 0.03 -0.54 1.20 0.00 0.00 173.24 172.87 2aas s LYS 91 N 3.08 2.35 -0.04 5.44 1.02 -1.18 -4.79 119.74 125.62 2aas s LYS 91 Ca 0.35 -1.42 -0.21 0.00 0.02 0.00 0.00 55.97 54.70 2aas s LYS 91 Cb -0.04 -2.18 -0.05 0.00 -0.52 0.00 0.00 37.83 35.04 2aas s LYS 91 CO -0.10 0.32 0.62 -0.47 -0.92 0.00 0.00 175.35 174.80 2aas s TYR 92 N -2.33 3.62 -1.34 3.18 5.04 -1.26 -0.47 117.35 123.79 2aas s TYR 92 Ca 0.33 1.17 0.28 0.00 -2.44 0.00 0.00 57.07 56.41 2aas s TYR 92 Cb -0.06 -2.67 1.03 0.00 0.35 0.00 0.00 41.96 40.61 2aas s TYR 92 CO 0.21 0.23 1.75 -0.35 -1.34 0.00 0.00 175.55 176.05 2aas n PRO 93 N 3.25 0.36 -1.56 4.97 -0.04 -1.26 -4.99 135.00 135.73 2aas n PRO 93 Ca -0.05 -0.13 -0.41 0.00 -0.04 0.00 0.00 63.50 62.88 2aas n PRO 93 Cb 0.51 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.21 6.36 -4.70 3.54 6.94 0.38 -4.93 115.26 121.64 2aas n ASN 94 Ca 0.10 -2.73 -0.42 0.00 -0.02 0.00 0.00 54.58 51.51 2aas n ASN 94 Cb 0.31 -1.60 -0.03 0.00 -2.36 0.00 0.00 39.78 36.10 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 1.93 1.58 -0.02 0.00 0.00 -1.26 -4.59 121.76 119.40 2aas s ALA 96 Ca 0.67 -0.68 0.08 0.00 0.00 0.00 0.00 51.96 52.03 2aas s ALA 96 Cb -0.37 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 21.87 2aas s ALA 96 CO 0.30 -0.19 -0.25 0.71 0.00 0.00 0.00 175.76 176.32 2aas s TYR 97 N 1.22 2.27 -0.42 0.00 1.51 -1.26 -0.67 117.35 120.00 2aas s TYR 97 Ca -0.03 -0.43 -0.24 0.00 -1.01 0.00 0.00 57.07 55.37 2aas s TYR 97 Cb -0.14 -1.45 0.02 0.00 -0.11 0.00 0.00 41.96 40.27 2aas s TYR 97 CO -0.04 -0.03 0.82 -1.59 -1.11 0.00 0.00 175.55 173.59 2aas s LYS 98 N -0.62 3.58 -0.11 -0.62 -2.85 0.50 -4.47 119.74 115.14 2aas s LYS 98 Ca 0.10 0.13 -0.02 0.00 -1.00 0.00 0.00 55.97 55.18 2aas s LYS 98 Cb -0.10 -3.88 -0.03 0.00 -2.06 0.00 0.00 37.83 31.76 2aas s LYS 98 CO -0.01 -1.03 -0.03 0.99 0.10 0.00 0.00 175.35 175.38 2aas s THR 99 N 3.31 4.04 -0.11 3.79 2.01 -0.81 -1.75 115.64 126.13 2aas s THR 99 Ca 0.32 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 62.02 2aas s THR 99 Cb -0.12 -2.71 0.01 0.00 0.01 0.00 0.00 72.50 69.68 2aas s THR 99 CO 0.21 0.56 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.61 2aas s THR 100 N -0.45 1.82 -0.26 -0.82 2.01 0.24 -4.63 115.64 113.55 2aas s THR 100 Ca 0.07 -0.86 -0.17 0.00 0.31 0.00 0.00 61.69 61.05 2aas s THR 100 Cb -0.12 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 2aas s THR 100 CO 0.02 0.51 0.45 -1.58 -0.69 0.00 0.00 174.62 173.33 2aas s GLN 101 N 0.63 4.06 -0.00 4.92 2.00 -1.26 -0.92 119.66 129.10 2aas s GLN 101 Ca -0.13 0.22 -0.11 0.00 -2.00 0.00 0.00 55.36 53.34 2aas s GLN 101 Cb -0.16 -3.64 0.01 0.00 0.80 0.00 0.00 33.01 30.02 2aas s GLN 101 CO 0.03 -0.29 0.22 0.00 -0.50 0.00 0.00 175.29 174.75 2aas s ALA 102 N 2.11 -0.52 -0.46 1.58 0.00 0.16 -5.03 121.76 119.60 2aas s ALA 102 Ca 0.19 0.05 -0.06 0.00 0.00 0.00 0.00 51.96 52.14 2aas s ALA 102 Cb -0.16 0.11 0.12 0.00 0.00 0.00 0.00 23.12 23.20 2aas s ALA 102 CO 0.09 -0.24 0.30 -0.80 0.00 0.00 0.00 175.76 175.11 2aas s ASN 103 N -1.42 5.48 0.22 0.00 -0.87 -1.26 -0.34 114.94 116.75 2aas s ASN 103 Ca -0.14 -2.07 0.04 0.00 -1.57 0.00 0.00 52.86 49.13 2aas s ASN 103 Cb -0.06 -1.92 -0.05 0.00 -0.02 0.00 0.00 41.25 39.20 2aas s ASN 103 CO 0.02 -0.60 -0.04 -0.54 -2.57 0.00 0.00 177.10 173.38 2aas s LYS 104 N 1.11 1.31 0.51 -0.60 1.02 -0.80 -4.77 119.74 117.52 2aas s LYS 104 Ca 0.08 -1.64 -0.20 0.00 0.02 0.00 0.00 55.97 54.23 2aas s LYS 104 Cb -0.24 -0.72 -0.07 0.00 -0.52 0.00 0.00 37.83 36.29 2aas s LYS 104 CO -0.03 -0.03 1.12 -1.01 -0.92 0.00 0.00 175.35 174.49 2aas s HIS 105 N -3.32 2.77 0.05 3.18 3.76 -1.26 -0.31 115.29 120.16 2aas s HIS 105 Ca 0.26 1.55 0.07 0.00 -0.15 0.00 0.00 55.06 56.79 2aas s HIS 105 Cb 0.04 -3.28 -0.03 0.00 1.11 0.00 0.00 32.58 30.43 2aas s HIS 105 CO 0.07 -1.45 -0.20 0.96 -0.85 0.00 0.00 174.74 173.28 2aas s ILE 106 N -1.74 1.59 -0.17 0.60 -4.36 -1.26 -0.50 121.20 115.36 2aas s ILE 106 Ca 0.70 -1.22 -0.01 0.00 -0.26 0.00 0.00 60.65 59.86 2aas s ILE 106 Cb -0.24 -1.40 -0.00 0.00 1.25 0.00 0.00 42.46 42.07 2aas s ILE 106 CO 0.28 0.14 -0.13 -0.63 0.24 0.00 0.00 174.94 174.84 2aas s ILE 107 N -0.86 2.81 -0.01 8.37 1.09 0.35 -1.56 121.20 131.39 2aas s ILE 107 Ca 0.06 -0.71 0.06 0.00 -1.10 0.00 0.00 60.65 58.97 2aas s ILE 107 Cb -0.09 -2.21 -0.02 0.00 -1.06 0.00 0.00 42.46 39.08 2aas s ILE 107 CO 0.02 0.50 -0.20 0.68 -0.10 0.00 0.00 174.94 175.84 2aas s VAL 108 N 0.99 1.57 -0.12 2.92 -7.23 -0.52 -1.30 120.40 116.70 2aas s VAL 108 Ca -0.02 -0.88 -0.27 0.00 -1.81 0.00 0.00 61.98 59.00 2aas s VAL 108 Cb -0.15 -1.31 -0.02 0.00 0.56 0.00 0.00 36.38 35.47 2aas s VAL 108 CO -0.02 0.41 0.89 0.00 -0.31 0.00 0.00 175.10 176.08 2aas s ALA 109 N -0.50 3.43 -0.05 1.32 0.00 -0.13 -0.85 121.76 124.98 2aas s ALA 109 Ca 0.08 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.28 2aas s ALA 109 Cb -0.08 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2aas s ALA 109 CO -0.00 -0.54 -0.16 0.00 0.00 0.00 0.00 175.76 175.06 2aas s GLU 111 N 0.23 1.49 0.00 0.00 2.02 -0.36 -4.88 118.70 117.20 2aas s GLU 111 Ca -0.08 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.52 2aas s GLU 111 Cb -0.13 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.52 2aas s GLU 111 CO 0.03 -0.59 0.00 0.41 0.02 0.00 0.00 175.26 175.13 2aas n GLY 112 N -0.37 -0.24 2.64 -1.39 0.00 -1.26 -0.48 105.19 104.09 2aas n GLY 112 Ca -0.00 -1.87 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.99 2.06 0.53 1.61 2.47 -1.26 -3.28 114.94 116.08 2aas s ASN 113 Ca 0.00 -0.47 -0.20 0.00 0.42 0.00 0.00 52.86 52.61 2aas s ASN 113 Cb 0.00 -0.13 -0.06 0.00 -1.45 0.00 0.00 41.25 39.61 2aas s ASN 113 CO 0.00 -0.34 1.15 -2.16 -3.72 0.00 0.00 177.10 172.04 2aas s PRO 114 N 2.17 3.41 -0.11 0.43 0.04 -1.26 -5.06 135.00 134.61 2aas s PRO 114 Ca 0.03 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 62.47 2aas s PRO 114 Cb -0.16 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 2aas s PRO 114 CO -0.09 -0.82 1.90 -0.47 0.04 0.00 0.00 177.00 177.56 2aas s TYR 115 N -1.68 1.55 -0.01 0.56 5.04 -1.20 -4.97 117.35 116.63 2aas s TYR 115 Ca 0.71 0.15 0.03 0.00 -2.44 0.00 0.00 57.07 55.53 2aas s TYR 115 Cb -0.26 -4.06 -0.01 0.00 0.35 0.00 0.00 41.96 37.98 2aas s TYR 115 CO 0.30 -4.26 -0.11 0.14 -1.34 0.00 0.00 175.55 170.27 2aas s VAL 116 N 5.65 0.88 0.01 3.14 -7.23 0.37 -4.89 120.40 118.34 2aas s VAL 116 Ca 0.85 -0.51 -0.30 0.00 -1.81 0.00 0.00 61.98 60.22 2aas s VAL 116 Cb -0.34 -0.74 -0.07 0.00 0.56 0.00 0.00 36.38 35.78 2aas s VAL 116 CO 0.35 0.23 1.77 -2.84 -0.31 0.00 0.00 175.10 174.29 2aas s PRO 117 N -0.32 4.17 -0.07 4.82 0.02 -1.26 -1.22 135.00 141.14 2aas s PRO 117 Ca 0.04 2.38 0.16 0.00 0.02 0.00 0.00 61.00 63.60 2aas s PRO 117 Cb -0.05 -3.94 -0.24 0.00 0.02 0.00 0.00 34.50 30.30 2aas s PRO 117 CO -0.00 -0.86 0.26 1.33 -0.33 0.00 0.00 177.00 177.40 2aas n VAL 118 N 5.30 0.35 -3.80 3.83 0.24 0.38 -4.37 118.33 120.26 2aas n VAL 118 Ca 0.18 -0.47 -0.12 0.00 -2.04 0.00 0.00 64.34 61.88 2aas n VAL 118 Cb 0.41 -0.12 -0.11 0.00 -1.47 0.00 0.00 33.84 32.56 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 -2.90 -0.19 -0.14 6.34 5.65 -1.14 -4.08 115.29 118.84 2aas s HIS 119 Ca -0.07 0.43 -0.05 0.00 0.25 0.00 0.00 55.06 55.62 2aas s HIS 119 Cb 0.09 0.06 -0.04 0.00 -1.18 0.00 0.00 32.58 31.51 2aas s HIS 119 CO 0.67 -0.19 0.04 0.12 -0.65 0.00 0.00 174.74 174.73 2aas s PHE 120 N -0.36 3.24 -0.03 3.88 5.36 -1.26 -0.95 117.98 127.85 2aas s PHE 120 Ca -0.05 0.13 -0.05 0.00 -0.96 0.00 0.00 56.93 56.00 2aas s PHE 120 Cb -0.03 -1.95 -0.02 0.00 -0.34 0.00 0.00 43.02 40.68 2aas s PHE 120 CO 0.01 0.32 -0.10 -3.47 -1.46 0.00 0.00 175.22 170.52 2aas n ASP 121 N 2.85 0.76 -3.68 6.13 2.03 -0.42 -4.97 116.55 119.25 2aas n ASP 121 Ca -0.18 0.12 -0.15 0.00 0.52 0.00 0.00 54.79 55.11 2aas n ASP 121 Cb 0.53 -0.44 -0.08 0.00 -0.72 0.00 0.00 41.12 40.41 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 -1.17 -0.15 -1.67 0.00 -1.21 -4.92 121.76 110.04 2aas s ALA 122 Ca -0.08 0.86 -0.07 0.00 0.00 0.00 0.00 51.96 52.66 2aas s ALA 122 Cb 0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2aas s ALA 122 CO 0.12 -0.28 0.10 -1.12 0.00 0.00 0.00 175.76 174.58 2aas s SER 123 N -0.91 6.04 0.00 0.00 0.01 -1.26 -0.49 113.70 117.08 2aas s SER 123 Ca -0.10 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.45 2aas s SER 123 Cb -0.03 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.22 2aas s SER 123 CO 0.05 0.30 0.28 1.33 0.41 0.00 0.00 173.24 175.61