#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 3.62 0.45 -1.58 2.12 -1.26 -4.92 118.70 117.13 2aas s GLU 2 Ca 0.00 -1.49 0.04 0.00 0.36 0.00 0.00 54.97 53.88 2aas s GLU 2 Cb 0.00 -5.14 0.08 0.00 0.26 0.00 0.00 34.13 29.33 2aas s GLU 2 CO 0.00 -1.99 0.62 0.25 -0.54 0.00 0.00 175.26 173.60 2aas n THR 3 N 6.14 0.00 -0.34 -1.70 -2.24 -1.26 -4.88 114.28 110.00 2aas n THR 3 Ca 0.29 -1.26 0.02 0.00 -2.27 0.00 0.00 64.05 60.83 2aas n THR 3 Cb 0.50 -0.81 0.09 0.00 -2.10 0.00 0.00 70.33 68.00 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 -0.08 0.40 -0.54 6.98 0.00 -1.92 0.61 119.26 124.71 2aas h ALA 4 Ca -0.21 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2aas h ALA 4 Cb 0.87 0.83 -0.03 0.00 0.00 0.00 0.00 17.79 19.46 2aas h ALA 4 CO 0.26 -0.50 0.29 0.00 0.00 0.00 0.00 179.25 179.31 2aas h ALA 5 N 1.66 0.69 -0.39 0.00 0.00 -1.81 -2.06 119.26 117.36 2aas h ALA 5 Ca 0.39 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2aas h ALA 5 Cb 0.64 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2aas h ALA 5 CO -0.95 0.22 0.21 0.00 0.00 0.00 0.00 179.25 178.73 2aas h ALA 6 N 1.12 1.65 -0.13 0.00 0.00 -1.26 -0.28 119.26 120.37 2aas h ALA 6 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2aas h ALA 6 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2aas h ALA 6 CO -0.03 0.30 0.05 0.87 0.00 0.00 0.00 179.25 180.44 2aas h LYS 7 N 0.53 0.19 -0.16 0.00 1.57 -0.45 0.18 116.57 118.43 2aas h LYS 7 Ca 0.14 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 2aas h LYS 7 Cb 0.01 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.23 2aas h LYS 7 CO -0.02 0.31 -0.21 0.35 -0.57 0.00 0.00 179.45 179.30 2aas h PHE 8 N 0.04 -0.55 -0.35 -1.35 3.57 -1.11 -1.44 116.94 115.76 2aas h PHE 8 Ca 0.04 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.65 2aas h PHE 8 Cb 0.19 0.27 -0.07 0.00 2.79 0.00 0.00 35.95 39.12 2aas h PHE 8 CO -0.01 -0.29 -0.13 0.93 -2.23 0.00 0.00 178.31 176.58 2aas h GLU 9 N -0.25 -0.06 -0.50 1.11 5.08 -0.71 0.14 114.58 119.40 2aas h GLU 9 Ca 0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2aas h GLU 9 Cb 0.41 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2aas h GLU 9 CO -0.31 -0.04 0.30 -0.09 -1.00 0.00 0.00 179.01 177.87 2aas h ARG 10 N -0.06 0.68 0.06 2.33 1.12 -0.41 -1.05 114.38 117.04 2aas h ARG 10 Ca 0.17 -0.06 -0.24 0.00 -1.11 0.00 0.00 59.98 58.74 2aas h ARG 10 Cb 0.32 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.15 2aas h ARG 10 CO -0.39 0.50 -1.06 1.96 -3.11 0.00 0.00 179.97 177.86 2aas h GLN 11 N 0.66 0.34 0.00 0.20 4.20 -1.00 -3.42 115.11 116.09 2aas h GLN 11 Ca 0.18 -0.44 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 2aas h GLN 11 Cb -0.00 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 2aas h GLN 11 CO -0.03 1.14 -1.02 0.72 -0.67 0.00 0.00 178.83 178.97 2aas n HIS 12 N -3.66 0.00 -2.64 2.96 8.25 0.47 -4.65 115.22 115.96 2aas n HIS 12 Ca -0.07 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.97 2aas n HIS 12 Cb 0.91 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.98 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 -2.01 4.55 -0.26 -0.41 -1.94 -0.41 0.07 119.30 118.89 2aas s MET 13 Ca -0.00 1.51 0.19 0.00 -1.71 0.00 0.00 55.69 55.67 2aas s MET 13 Cb 0.00 -3.42 0.49 0.00 2.01 0.00 0.00 34.83 33.91 2aas s MET 13 CO 0.01 -0.06 1.14 -0.25 -0.01 0.00 0.00 175.02 175.84 2aas n ASP 14 N 3.73 2.46 -0.05 3.03 9.92 0.10 -4.91 116.55 130.83 2aas n ASP 14 Ca 0.06 -2.52 0.19 0.00 -0.53 0.00 0.00 54.79 51.99 2aas n ASP 14 Cb 0.50 -0.43 0.64 0.00 -0.64 0.00 0.00 41.12 41.18 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 2.39 0.10 -0.65 -2.24 4.64 -1.75 -0.10 113.55 115.94 2aas h SER 15 Ca -0.00 0.01 0.15 0.00 -0.47 0.00 0.00 61.79 61.47 2aas h SER 15 Cb 1.37 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.41 2aas h SER 15 CO 0.33 0.05 0.45 0.77 -0.87 0.00 0.00 176.83 177.56 2aas h SER 16 N 0.11 0.21 -4.18 4.97 4.64 -1.91 -3.42 113.55 113.97 2aas h SER 16 Ca 0.29 0.01 -0.65 0.00 -0.47 0.00 0.00 61.79 60.98 2aas h SER 16 Cb 1.00 -0.03 -0.31 0.00 -0.31 0.00 0.00 62.40 62.75 2aas h SER 16 CO -0.03 0.11 -0.87 0.42 -0.87 0.00 0.00 176.83 175.59 2aas s THR 17 N -5.23 1.83 -0.51 2.95 -4.23 -0.05 -5.04 115.64 105.36 2aas s THR 17 Ca -0.07 -0.96 0.24 0.00 -1.18 0.00 0.00 61.69 59.72 2aas s THR 17 Cb 0.20 -1.54 0.25 0.00 1.34 0.00 0.00 72.50 72.75 2aas s THR 17 CO 0.75 0.51 1.54 0.28 -0.54 0.00 0.00 174.62 177.17 2aas h SER 18 N 5.91 0.00 -4.50 3.99 0.02 -1.81 -3.43 113.55 113.72 2aas h SER 18 Ca -0.35 -0.02 0.11 0.00 -0.84 0.00 0.00 61.79 60.68 2aas h SER 18 Cb 1.16 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.53 2aas h SER 18 CO 0.47 0.01 0.52 0.00 -1.14 0.00 0.00 176.83 176.70 2aas s ALA 19 N -3.20 -1.87 -0.50 3.77 0.00 -1.26 -4.82 121.76 113.88 2aas s ALA 19 Ca 0.07 1.19 -0.27 0.00 0.00 0.00 0.00 51.96 52.95 2aas s ALA 19 Cb 0.08 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 2aas s ALA 19 CO 0.67 -0.59 2.14 0.00 0.00 0.00 0.00 175.76 177.98 2aas s ALA 20 N -2.59 2.01 0.18 0.00 0.00 -1.26 -4.87 121.76 115.23 2aas s ALA 20 Ca 0.04 -0.16 0.35 0.00 0.00 0.00 0.00 51.96 52.18 2aas s ALA 20 Cb -0.01 -4.28 1.67 0.00 0.00 0.00 0.00 23.12 20.49 2aas s ALA 20 CO -0.06 -3.98 2.04 0.66 0.00 0.00 0.00 175.76 174.42 2aas h SER 21 N 16.96 0.00 -5.17 0.00 4.64 -1.99 -3.45 113.55 124.54 2aas h SER 21 Ca -0.27 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.96 2aas h SER 21 Cb 1.22 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.17 2aas h SER 21 CO 1.16 0.00 -0.35 -0.94 -0.87 0.00 0.00 176.83 175.83 2aas s SER 22 N -5.06 0.10 0.48 4.97 1.04 -1.26 -5.04 113.70 108.93 2aas s SER 22 Ca -0.01 -0.68 0.33 0.00 0.48 0.00 0.00 55.95 56.07 2aas s SER 22 Cb 0.10 0.36 1.72 0.00 0.10 0.00 0.00 66.02 68.30 2aas s SER 22 CO 0.43 -0.76 2.00 0.77 0.98 0.00 0.00 173.24 176.66 2aas h SER 23 N 2.70 0.00 -0.13 7.02 4.64 -1.90 -2.45 113.55 123.44 2aas h SER 23 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2aas h SER 23 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2aas h SER 23 CO 0.55 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.05 2aas n ASN 24 N -2.68 2.75 -0.24 4.97 6.94 -1.26 -3.59 115.26 122.15 2aas n ASN 24 Ca -0.02 -1.82 -0.07 0.00 -0.02 0.00 0.00 54.58 52.65 2aas n ASN 24 Cb 0.09 -0.07 -0.02 0.00 -2.36 0.00 0.00 39.78 37.41 2aas n ASN 24 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 2aas h TYR 25 N 3.62 -1.21 -0.71 -2.53 3.20 -1.80 -1.72 116.97 115.82 2aas h TYR 25 Ca 0.00 0.09 0.14 0.00 3.14 0.00 0.00 58.73 62.10 2aas h TYR 25 Cb 0.80 0.62 -0.05 0.00 1.54 0.00 0.00 36.73 39.65 2aas h TYR 25 CO 0.07 -0.41 0.48 0.00 -1.64 0.00 0.00 178.16 176.66 2aas h ASN 27 N 0.38 -0.74 -0.14 0.00 4.21 -1.58 0.11 115.58 117.82 2aas h ASN 27 Ca 0.34 0.10 -0.07 0.00 1.21 0.00 0.00 56.30 57.88 2aas h ASN 27 Cb 0.81 0.30 -0.00 0.00 -1.12 0.00 0.00 38.32 38.31 2aas h ASN 27 CO -0.10 -0.33 -0.20 1.56 -1.29 0.00 0.00 177.43 177.07 2aas h GLN 28 N -0.41 0.39 -0.51 0.81 4.20 -1.53 -3.31 115.11 114.75 2aas h GLN 28 Ca 0.05 -0.23 -0.11 0.00 0.06 0.00 0.00 58.65 58.42 2aas h GLN 28 Cb 0.48 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 2aas h GLN 28 CO -0.20 0.81 -0.12 1.98 -0.67 0.00 0.00 178.83 180.63 2aas h MET 29 N -0.00 0.95 0.00 1.46 4.05 -0.98 -2.19 114.93 118.22 2aas h MET 29 Ca 0.01 -0.35 0.00 0.00 -0.28 0.00 0.00 59.70 59.09 2aas h MET 29 Cb 0.77 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 2aas h MET 29 CO 0.05 1.01 0.00 1.98 0.23 0.00 0.00 176.91 180.18 2aas h MET 30 N 0.85 0.00 0.00 0.39 4.05 -0.90 -1.00 114.93 118.32 2aas h MET 30 Ca 0.13 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.43 2aas h MET 30 Cb 0.67 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.45 2aas h MET 30 CO 0.05 0.00 -0.73 0.87 0.23 0.00 0.00 176.91 177.33 2aas h LYS 31 N 0.00 0.00 -0.96 0.39 1.57 -1.51 -2.47 116.57 113.59 2aas h LYS 31 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2aas h LYS 31 Cb 0.11 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 2aas h LYS 31 CO 0.00 0.82 0.62 0.66 -0.57 0.00 0.00 179.45 180.98 2aas h SER 32 N -1.00 1.12 -2.26 0.86 4.64 -1.22 -2.99 113.55 112.70 2aas h SER 32 Ca -0.18 -0.04 -0.58 0.00 -0.47 0.00 0.00 61.79 60.52 2aas h SER 32 Cb 1.04 -0.28 -0.11 0.00 -0.31 0.00 0.00 62.40 62.74 2aas h SER 32 CO -0.11 0.82 0.97 -0.13 -0.87 0.00 0.00 176.83 177.51 2aas s ARG 33 N -6.05 3.25 0.00 4.77 1.81 -0.40 -4.91 118.95 117.43 2aas s ARG 33 Ca -0.13 -0.61 -0.03 0.00 -1.72 0.00 0.00 55.73 53.24 2aas s ARG 33 Cb 0.18 -4.41 -0.04 0.00 -0.45 0.00 0.00 34.95 30.23 2aas s ARG 33 CO 0.82 -2.05 0.51 0.09 -0.68 0.00 0.00 175.30 173.99 2aas n ASN 34 N 8.70 -0.49 -0.05 0.23 3.02 -1.13 -4.26 115.26 121.28 2aas n ASN 34 Ca 0.07 -0.78 -0.11 0.00 -0.03 0.00 0.00 54.58 53.72 2aas n ASN 34 Cb 0.48 -0.08 -0.04 0.00 -0.61 0.00 0.00 39.78 39.54 2aas n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2aas n LEU 35 N 3.90 1.16 -0.35 3.41 4.77 -1.24 -4.79 117.00 123.86 2aas n LEU 35 Ca 0.05 0.19 0.01 0.00 -0.03 0.00 0.00 56.01 56.23 2aas n LEU 35 Cb 0.19 -0.45 0.04 0.00 -2.33 0.00 0.00 43.42 40.87 2aas n LEU 35 CO 0.30 0.01 0.44 0.35 -1.33 0.00 0.00 177.39 177.16 2aas n THR 36 N -3.74 0.18 0.92 -5.08 -2.24 -0.93 -4.60 114.28 98.79 2aas n THR 36 Ca -0.20 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2aas n THR 36 Cb 0.54 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.13 0.92 0.00 -0.78 4.01 -1.26 -2.97 118.16 117.95 2aas n LYS 37 Ca 0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 2aas n LYS 37 Cb 0.19 -1.40 0.00 0.00 -0.51 0.00 0.00 35.03 33.30 2aas n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2aas n ASP 38 N 0.11 0.00 -4.32 4.39 2.03 -1.26 -5.11 116.55 112.38 2aas n ASP 38 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 2aas n ASP 38 Cb 0.26 0.44 -0.11 0.00 -0.72 0.00 0.00 41.12 40.99 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 -1.95 1.25 -0.20 -0.67 3.03 -1.16 -4.93 118.95 114.32 2aas s ARG 39 Ca 0.00 -1.39 -0.29 0.00 2.03 0.00 0.00 55.73 56.08 2aas s ARG 39 Cb 0.00 -1.29 -0.01 0.00 -1.03 0.00 0.00 34.95 32.61 2aas s ARG 39 CO 0.00 0.26 1.33 0.00 -1.13 0.00 0.00 175.30 175.76 2aas s LYS 41 N 3.84 4.42 0.16 0.00 2.20 -1.26 -4.97 119.74 124.13 2aas s LYS 41 Ca 0.58 1.65 -0.17 0.00 -0.36 0.00 0.00 55.97 57.68 2aas s LYS 41 Cb -0.21 -3.46 0.09 0.00 -1.51 0.00 0.00 37.83 32.74 2aas s LYS 41 CO 0.19 -0.30 1.69 -1.35 -0.36 0.00 0.00 175.35 175.22 2aas h PRO 42 N 7.08 0.05 -2.90 4.03 0.11 -1.95 -3.44 132.00 134.97 2aas h PRO 42 Ca -0.38 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.60 2aas h PRO 42 Cb 1.19 -0.01 -0.24 0.00 0.11 0.00 0.00 31.00 32.05 2aas h PRO 42 CO 0.83 0.03 -0.29 0.54 -0.21 0.00 0.00 178.00 178.90 2aas s VAL 43 N -6.20 0.01 0.14 3.15 0.11 -1.26 -0.97 120.40 115.38 2aas s VAL 43 Ca -0.14 -0.10 -0.24 0.00 -2.93 0.00 0.00 61.98 58.57 2aas s VAL 43 Cb 0.14 -0.52 0.07 0.00 -1.53 0.00 0.00 36.38 34.53 2aas s VAL 43 CO 0.71 -0.05 0.73 0.54 -3.33 0.00 0.00 175.10 173.69 2aas s ASN 44 N -0.13 -0.42 -0.20 3.54 4.22 -0.58 -5.04 114.94 116.32 2aas s ASN 44 Ca -0.03 -0.15 0.01 0.00 -2.14 0.00 0.00 52.86 50.55 2aas s ASN 44 Cb -0.03 0.56 0.03 0.00 1.28 0.00 0.00 41.25 43.08 2aas s ASN 44 CO 0.01 -0.95 -0.16 -0.89 -2.04 0.00 0.00 177.10 173.08 2aas s THR 45 N -3.58 2.25 0.54 0.54 2.01 -1.26 -0.23 115.64 115.91 2aas s THR 45 Ca 0.05 -1.04 -0.15 0.00 0.31 0.00 0.00 61.69 60.86 2aas s THR 45 Cb -0.02 -2.04 -0.07 0.00 0.01 0.00 0.00 72.50 70.39 2aas s THR 45 CO -0.07 0.40 1.00 -0.36 -0.69 0.00 0.00 174.62 174.90 2aas s PHE 46 N 1.27 3.48 -0.17 4.92 0.08 0.95 -4.63 117.98 123.88 2aas s PHE 46 Ca 0.02 1.43 -0.02 0.00 0.12 0.00 0.00 56.93 58.48 2aas s PHE 46 Cb -0.15 -2.78 0.05 0.00 -0.57 0.00 0.00 43.02 39.57 2aas s PHE 46 CO -0.10 -0.48 -0.00 0.08 -0.10 0.00 0.00 175.22 174.62 2aas s VAL 47 N -2.76 0.78 -0.74 -0.44 1.01 0.11 0.24 120.40 118.61 2aas s VAL 47 Ca 0.58 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 2aas s VAL 47 Cb -0.10 -1.12 0.09 0.00 0.00 0.00 0.00 36.38 35.25 2aas s VAL 47 CO 0.37 -0.03 2.61 1.41 0.00 0.00 0.00 175.10 179.46 2aas n HIS 48 N 4.97 1.96 -4.42 5.22 8.25 0.63 -0.72 115.22 131.11 2aas n HIS 48 Ca -0.10 -2.23 -0.21 0.00 -0.26 0.00 0.00 57.72 54.92 2aas n HIS 48 Cb 0.47 -1.51 -0.10 0.00 1.12 0.00 0.00 29.99 29.98 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 -1.67 1.68 0.66 -0.41 0.41 -1.26 -4.72 118.70 113.38 2aas s GLU 49 Ca 0.57 -1.96 -0.10 0.00 -0.41 0.00 0.00 54.97 53.07 2aas s GLU 49 Cb 0.32 -0.54 0.00 0.00 -1.78 0.00 0.00 34.13 32.13 2aas s GLU 49 CO -0.19 -0.34 1.03 -1.54 -0.49 0.00 0.00 175.26 173.73 2aas s SER 50 N -3.47 5.61 0.21 -0.19 1.04 -1.26 -3.24 113.70 112.40 2aas s SER 50 Ca 0.33 1.06 -0.10 0.00 0.48 0.00 0.00 55.95 57.71 2aas s SER 50 Cb 0.06 -1.95 0.15 0.00 0.10 0.00 0.00 66.02 64.38 2aas s SER 50 CO 0.15 -1.19 1.86 0.25 0.98 0.00 0.00 173.24 175.30 2aas h LEU 51 N -0.47 0.87 -1.00 2.42 5.85 -2.00 -2.49 115.31 118.50 2aas h LEU 51 Ca -0.45 -0.04 0.17 0.00 0.84 0.00 0.00 57.88 58.40 2aas h LEU 51 Cb 1.24 -0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.95 2aas h LEU 51 CO 0.63 0.65 0.62 0.00 -0.34 0.00 0.00 178.44 180.00 2aas h ALA 52 N 1.26 1.63 0.00 1.25 0.00 -1.99 0.11 119.26 121.51 2aas h ALA 52 Ca 0.27 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 2aas h ALA 52 Cb -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2aas h ALA 52 CO -0.05 0.03 -0.37 -0.44 0.00 0.00 0.00 179.25 178.41 2aas h ASP 53 N 0.83 0.00 0.17 0.00 3.32 -1.85 -2.53 116.42 116.37 2aas h ASP 53 Ca 0.56 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 57.26 2aas h ASP 53 Cb 0.79 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.28 2aas h ASP 53 CO -0.35 0.37 -2.13 0.52 -1.72 0.00 0.00 179.24 175.92 2aas n VAL 54 N -3.94 1.53 -0.32 -1.35 0.31 0.16 -3.15 118.33 111.56 2aas n VAL 54 Ca -0.02 -0.76 0.24 0.00 -0.01 0.00 0.00 64.34 63.79 2aas n VAL 54 Cb 0.42 -0.99 0.47 0.00 -0.91 0.00 0.00 33.84 32.83 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 0.01 0.11 0.00 5.55 4.20 -0.96 -0.44 115.11 123.59 2aas h GLN 55 Ca -0.45 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2aas h GLN 55 Cb 2.09 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.84 2aas h GLN 55 CO 0.03 0.07 0.00 0.00 -0.67 0.00 0.00 178.83 178.27 2aas h ALA 56 N 1.93 1.00 0.11 3.87 0.00 -1.40 -1.50 119.26 123.26 2aas h ALA 56 Ca 0.74 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 55.37 2aas h ALA 56 Cb 1.77 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 2aas h ALA 56 CO -0.74 0.00 -1.33 0.28 0.00 0.00 0.00 179.25 177.47 2aas h VAL 57 N 0.00 1.39 0.00 0.00 2.07 -1.13 -3.31 116.25 115.27 2aas h VAL 57 Ca 0.00 -3.01 0.00 0.00 0.82 0.00 0.00 66.70 64.51 2aas h VAL 57 Cb 0.15 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 2aas h VAL 57 CO 0.00 0.86 0.01 0.00 0.02 0.00 0.00 177.57 178.47 2aas n SER 59 N -2.13 2.49 0.00 0.00 7.64 -1.24 -4.90 113.62 115.48 2aas n SER 59 Ca -0.01 -2.18 0.00 0.00 1.01 0.00 0.00 58.87 57.68 2aas n SER 59 Cb 0.04 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 -0.25 0.00 -4.02 1.43 6.02 -0.45 -5.01 117.38 115.10 2aas n GLN 60 Ca 0.07 0.10 -0.20 0.00 -0.01 0.00 0.00 57.00 56.96 2aas n GLN 60 Cb 0.40 -0.47 -0.17 0.00 1.02 0.00 0.00 30.24 31.02 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 -0.62 0.66 -0.02 -1.09 2.47 -0.72 -5.01 119.74 115.41 2aas s LYS 61 Ca 0.00 -0.02 -0.23 0.00 -1.56 0.00 0.00 55.97 54.16 2aas s LYS 61 Cb 0.00 -0.79 -0.04 0.00 -1.46 0.00 0.00 37.83 35.54 2aas s LYS 61 CO 0.00 -0.14 0.70 1.21 0.16 0.00 0.00 175.35 177.28 2aas s ASN 62 N 1.18 7.05 0.21 1.43 3.84 -1.26 -0.23 114.94 127.16 2aas s ASN 62 Ca -0.07 1.26 0.00 0.00 0.21 0.00 0.00 52.86 54.26 2aas s ASN 62 Cb -0.14 -2.42 -0.05 0.00 -0.55 0.00 0.00 41.25 38.10 2aas s ASN 62 CO -0.02 -0.04 0.08 0.68 -2.79 0.00 0.00 177.10 175.02 2aas s VAL 63 N 0.39 0.37 -0.08 -5.21 -7.23 -0.21 -4.94 120.40 103.50 2aas s VAL 63 Ca 0.37 -1.99 -0.13 0.00 -1.81 0.00 0.00 61.98 58.43 2aas s VAL 63 Cb -0.19 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 2aas s VAL 63 CO 0.19 -0.13 0.31 0.00 -0.31 0.00 0.00 175.10 175.16 2aas s ALA 64 N -3.88 3.71 0.70 1.32 0.00 -1.26 -2.34 121.76 120.01 2aas s ALA 64 Ca 0.34 -0.39 -0.14 0.00 0.00 0.00 0.00 51.96 51.77 2aas s ALA 64 Cb 0.07 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 20.93 2aas s ALA 64 CO 0.10 0.41 1.12 0.00 0.00 0.00 0.00 175.76 177.39 2aas h LYS 66 N -0.31 0.14 0.00 0.00 1.57 -1.96 0.18 116.57 116.18 2aas h LYS 66 Ca -0.46 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2aas h LYS 66 Cb 1.25 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2aas h LYS 66 CO 0.52 0.09 -0.19 -2.95 -0.57 0.00 0.00 179.45 176.35 2aas h ASN 67 N 0.14 0.00 0.00 0.86 -1.07 -2.04 -3.47 115.58 110.00 2aas h ASN 67 Ca 0.80 -0.04 0.00 0.00 0.07 0.00 0.00 56.30 57.13 2aas h ASN 67 Cb 2.16 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.41 2aas h ASN 67 CO -0.59 0.02 0.00 0.61 0.07 0.00 0.00 177.43 177.54 2aas n GLY 68 N 1.24 1.47 3.72 9.14 0.00 0.63 -5.10 105.19 116.29 2aas n GLY 68 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.11 4.18 0.00 1.61 -0.21 -1.25 -4.62 119.66 119.26 2aas s GLN 69 Ca 0.00 2.46 0.08 0.00 0.02 0.00 0.00 55.36 57.92 2aas s GLN 69 Cb 0.00 -3.15 0.45 0.00 1.00 0.00 0.00 33.01 31.31 2aas s GLN 69 CO 0.00 -0.67 1.14 0.25 -2.12 0.00 0.00 175.29 173.89 2aas n THR 70 N 4.02 0.00 -1.61 -0.19 -2.24 -1.26 -0.27 114.28 112.73 2aas n THR 70 Ca 0.15 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.70 2aas n THR 70 Cb 0.37 -0.23 0.10 0.00 -2.10 0.00 0.00 70.33 68.47 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 -0.64 5.11 -4.60 3.42 6.94 -1.26 -4.60 115.26 119.63 2aas n ASN 71 Ca 0.06 -3.77 -0.29 0.00 -0.02 0.00 0.00 54.58 50.56 2aas n ASN 71 Cb 0.03 -0.65 -0.09 0.00 -2.36 0.00 0.00 39.78 36.70 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 -1.33 0.05 -0.08 0.00 1.51 -0.60 -1.04 117.35 115.85 2aas s TYR 73 Ca 0.23 -0.10 -0.00 0.00 -1.01 0.00 0.00 57.07 56.18 2aas s TYR 73 Cb -0.11 -0.04 -0.03 0.00 -0.11 0.00 0.00 41.96 41.68 2aas s TYR 73 CO 0.15 -0.04 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.36 2aas s GLN 74 N -0.29 2.92 0.16 -0.62 0.74 0.68 -1.90 119.66 121.35 2aas s GLN 74 Ca -0.03 -0.52 -0.28 0.00 0.05 0.00 0.00 55.36 54.58 2aas s GLN 74 Cb -0.02 -2.67 -0.07 0.00 1.10 0.00 0.00 33.01 31.35 2aas s GLN 74 CO -0.00 0.61 0.87 -1.54 -0.55 0.00 0.00 175.29 174.68 2aas s SER 75 N -0.65 7.48 0.56 6.67 1.04 -1.11 -1.76 113.70 125.93 2aas s SER 75 Ca 0.10 1.76 0.34 0.00 0.48 0.00 0.00 55.95 58.63 2aas s SER 75 Cb -0.12 -2.55 1.62 0.00 0.10 0.00 0.00 66.02 65.07 2aas s SER 75 CO 0.02 0.10 2.09 1.88 0.98 0.00 0.00 173.24 178.32 2aas h TYR 76 N 4.73 0.00 -2.75 5.02 0.05 -1.94 -3.43 116.97 118.65 2aas h TYR 76 Ca -0.45 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 57.74 2aas h TYR 76 Cb 1.20 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.85 2aas h TYR 76 CO 0.63 0.05 -0.62 0.45 -1.05 0.00 0.00 178.16 177.62 2aas s SER 77 N -5.74 5.02 0.39 3.88 0.15 -1.26 -5.11 113.70 111.03 2aas s SER 77 Ca -0.02 -0.32 -0.25 0.00 0.70 0.00 0.00 55.95 56.07 2aas s SER 77 Cb 0.11 -1.15 -0.09 0.00 -1.71 0.00 0.00 66.02 63.18 2aas s SER 77 CO 0.53 0.07 1.05 0.42 1.20 0.00 0.00 173.24 176.51 2aas s THR 78 N -1.79 3.72 0.14 6.45 -4.23 -1.26 -4.61 115.64 114.07 2aas s THR 78 Ca 0.29 1.35 0.11 0.00 -1.18 0.00 0.00 61.69 62.26 2aas s THR 78 Cb -0.09 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 69.99 2aas s THR 78 CO 0.20 0.04 -0.24 -0.04 -0.54 0.00 0.00 174.62 174.04 2aas s MET 79 N -2.39 1.51 -0.60 3.99 -1.94 0.11 -4.81 119.30 115.17 2aas s MET 79 Ca 0.56 -1.34 -0.27 0.00 -1.71 0.00 0.00 55.69 52.93 2aas s MET 79 Cb -0.23 -1.94 -0.00 0.00 2.01 0.00 0.00 34.83 34.67 2aas s MET 79 CO 0.28 0.45 1.60 0.45 -0.01 0.00 0.00 175.02 177.80 2aas s SER 80 N -2.20 5.76 0.09 3.03 0.15 -1.26 -1.64 113.70 117.62 2aas s SER 80 Ca 0.16 0.25 0.09 0.00 0.70 0.00 0.00 55.95 57.15 2aas s SER 80 Cb -0.10 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 2aas s SER 80 CO 0.08 -2.01 -0.24 0.27 1.20 0.00 0.00 173.24 172.53 2aas s ILE 81 N 7.32 1.98 -0.29 6.45 -5.25 0.02 -0.27 121.20 131.16 2aas s ILE 81 Ca 0.57 -1.51 0.01 0.00 -0.99 0.00 0.00 60.65 58.73 2aas s ILE 81 Cb -0.12 -1.74 0.08 0.00 2.95 0.00 0.00 42.46 43.63 2aas s ILE 81 CO 0.22 0.14 0.02 -0.89 -1.79 0.00 0.00 174.94 172.64 2aas s THR 82 N -0.98 1.60 -0.14 8.37 2.01 0.14 -1.01 115.64 125.64 2aas s THR 82 Ca 0.10 -1.65 -0.29 0.00 0.31 0.00 0.00 61.69 60.16 2aas s THR 82 Cb -0.10 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 2aas s THR 82 CO 0.04 -0.42 1.04 -1.81 -0.69 0.00 0.00 174.62 172.78 2aas s ASP 83 N 1.29 7.18 -0.36 3.53 1.11 0.60 -0.03 116.67 129.98 2aas s ASP 83 Ca 0.04 1.53 0.00 0.00 0.18 0.00 0.00 52.55 54.30 2aas s ASP 83 Cb -0.18 -2.55 0.10 0.00 1.07 0.00 0.00 42.92 41.35 2aas s ASP 83 CO -0.12 -0.53 0.10 0.00 1.18 0.00 0.00 175.17 175.80 2aas s ARG 85 N 1.06 2.93 0.29 0.00 3.52 -0.40 -1.53 118.95 124.82 2aas s ARG 85 Ca 0.06 -0.88 -0.30 0.00 -0.13 0.00 0.00 55.73 54.49 2aas s ARG 85 Cb -0.21 -2.28 -0.11 0.00 -1.56 0.00 0.00 34.95 30.80 2aas s ARG 85 CO -0.05 0.24 1.50 -2.00 -0.81 0.00 0.00 175.30 174.17 2aas s GLU 86 N 0.20 4.20 0.19 5.12 2.12 -0.15 0.25 118.70 130.63 2aas s GLU 86 Ca -0.14 2.44 0.08 0.00 0.36 0.00 0.00 54.97 57.71 2aas s GLU 86 Cb -0.17 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 2aas s GLU 86 CO 0.07 -0.50 -0.04 -0.08 -0.54 0.00 0.00 175.26 174.18 2aas s THR 87 N -0.22 3.48 0.31 -1.70 -1.32 -0.57 -4.75 115.64 110.86 2aas s THR 87 Ca 0.59 -1.59 0.07 0.00 -1.21 0.00 0.00 61.69 59.56 2aas s THR 87 Cb -0.45 -2.76 0.30 0.00 -1.51 0.00 0.00 72.50 68.09 2aas s THR 87 CO 0.48 -0.15 1.71 1.23 -2.21 0.00 0.00 174.62 175.68 2aas h GLY 88 N 2.65 1.76 -2.67 6.08 0.00 -1.96 -2.11 103.07 106.82 2aas h GLY 88 Ca -0.46 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 46.58 2aas h GLY 88 CO 0.57 -0.28 0.06 -1.14 0.00 0.00 0.00 176.54 175.75 2aas n SER 89 N -4.97 4.43 -4.29 0.19 3.41 -1.26 -4.72 113.62 106.39 2aas n SER 89 Ca 0.25 -2.34 -0.45 0.00 -0.26 0.00 0.00 58.87 56.07 2aas n SER 89 Cb 0.73 -0.85 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 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 1.30 6.55 -0.15 4.04 0.15 -0.79 -4.38 113.70 120.41 2aas s SER 90 Ca 0.05 -2.76 -0.02 0.00 0.70 0.00 0.00 55.95 53.93 2aas s SER 90 Cb 0.04 -2.15 0.04 0.00 -1.71 0.00 0.00 66.02 62.24 2aas s SER 90 CO 0.00 -0.53 -0.01 -1.59 1.20 0.00 0.00 173.24 172.32 2aas s LYS 91 N 0.07 0.96 0.10 5.44 -2.85 0.47 -4.79 119.74 119.13 2aas s LYS 91 Ca 0.18 -0.33 -0.36 0.00 -1.00 0.00 0.00 55.97 54.46 2aas s LYS 91 Cb -0.11 -1.79 -0.16 0.00 -2.06 0.00 0.00 37.83 33.70 2aas s LYS 91 CO -0.08 -0.47 1.35 0.98 0.10 0.00 0.00 175.35 177.23 2aas n TYR 92 N 5.00 1.58 0.65 1.78 9.36 -1.26 -0.07 117.16 134.21 2aas n TYR 92 Ca -0.10 0.60 0.13 0.00 3.32 0.00 0.00 57.90 61.85 2aas n TYR 92 Cb 0.48 -2.35 0.45 0.00 -0.63 0.00 0.00 39.34 37.29 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 2.56 0.20 -2.68 2.98 -0.04 -1.26 -5.00 135.00 131.77 2aas n PRO 93 Ca 0.18 0.21 -0.43 0.00 -0.04 0.00 0.00 63.50 63.42 2aas n PRO 93 Cb 0.21 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 2aas n PRO 93 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2aas n ASN 94 N -2.10 5.01 -4.68 3.54 5.15 0.90 -4.93 115.26 118.15 2aas n ASN 94 Ca 0.05 -2.94 -0.43 0.00 -0.60 0.00 0.00 54.58 50.67 2aas n ASN 94 Cb 0.38 -1.69 -0.02 0.00 -0.53 0.00 0.00 39.78 37.91 2aas n ASN 94 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2aas s ALA 96 N 2.37 2.11 0.03 0.00 0.00 -1.26 -4.66 121.76 120.34 2aas s ALA 96 Ca 0.48 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.49 2aas s ALA 96 Cb -0.18 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 2aas s ALA 96 CO 0.15 0.01 -0.11 0.71 0.00 0.00 0.00 175.76 176.52 2aas s TYR 97 N 0.77 0.99 -0.30 0.00 2.02 -1.26 -1.51 117.35 118.06 2aas s TYR 97 Ca -0.09 -0.32 -0.28 0.00 -0.37 0.00 0.00 57.07 56.01 2aas s TYR 97 Cb -0.16 -0.60 0.01 0.00 -0.40 0.00 0.00 41.96 40.82 2aas s TYR 97 CO -0.00 0.00 1.03 0.15 -1.57 0.00 0.00 175.55 175.16 2aas s LYS 98 N -0.98 4.08 -0.18 -0.62 1.02 0.14 -4.71 119.74 118.50 2aas s LYS 98 Ca -0.00 1.05 -0.07 0.00 0.02 0.00 0.00 55.97 56.97 2aas s LYS 98 Cb -0.07 -3.72 -0.04 0.00 -0.52 0.00 0.00 37.83 33.48 2aas s LYS 98 CO 0.01 -0.82 0.06 0.99 -0.92 0.00 0.00 175.35 174.66 2aas s THR 99 N 3.47 4.76 -0.09 2.17 2.01 -1.24 -1.27 115.64 125.45 2aas s THR 99 Ca 0.43 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.39 2aas s THR 99 Cb -0.13 -3.14 0.02 0.00 0.01 0.00 0.00 72.50 69.26 2aas s THR 99 CO 0.13 0.47 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.54 2aas s THR 100 N 0.30 1.11 -0.37 -0.82 2.01 0.21 -4.89 115.64 113.19 2aas s THR 100 Ca 0.03 -0.40 -0.15 0.00 0.31 0.00 0.00 61.69 61.48 2aas s THR 100 Cb -0.12 -1.07 0.00 0.00 0.01 0.00 0.00 72.50 71.32 2aas s THR 100 CO 0.00 0.37 0.32 -1.58 -0.69 0.00 0.00 174.62 173.04 2aas s GLN 101 N 1.18 3.30 0.06 4.92 -0.44 -1.26 -0.29 119.66 127.13 2aas s GLN 101 Ca -0.05 -0.71 0.05 0.00 -2.50 0.00 0.00 55.36 52.15 2aas s GLN 101 Cb -0.14 -3.88 -0.03 0.00 -1.64 0.00 0.00 33.01 27.32 2aas s GLN 101 CO -0.03 -0.61 -0.14 0.00 0.50 0.00 0.00 175.29 175.02 2aas s ALA 102 N 1.85 1.12 -0.50 1.58 0.00 -0.18 -5.02 121.76 120.61 2aas s ALA 102 Ca 0.08 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 2aas s ALA 102 Cb -0.18 -0.11 0.13 0.00 0.00 0.00 0.00 23.12 22.96 2aas s ALA 102 CO 0.11 0.17 0.31 -0.80 0.00 0.00 0.00 175.76 175.55 2aas s ASN 103 N -1.50 5.29 0.20 0.00 0.01 -1.26 -0.80 114.94 116.87 2aas s ASN 103 Ca -0.01 -2.35 0.05 0.00 -0.71 0.00 0.00 52.86 49.83 2aas s ASN 103 Cb -0.09 -1.85 -0.05 0.00 0.41 0.00 0.00 41.25 39.67 2aas s ASN 103 CO 0.02 -0.49 -0.07 -0.54 -1.51 0.00 0.00 177.10 174.52 2aas s LYS 104 N 0.67 1.26 0.25 -0.60 1.02 -0.65 -4.73 119.74 116.95 2aas s LYS 104 Ca 0.12 -1.59 -0.25 0.00 0.02 0.00 0.00 55.97 54.26 2aas s LYS 104 Cb -0.22 -0.75 -0.09 0.00 -0.52 0.00 0.00 37.83 36.25 2aas s LYS 104 CO -0.04 0.02 0.85 -1.01 -0.92 0.00 0.00 175.35 174.25 2aas s HIS 105 N -3.28 3.78 0.02 3.18 3.76 -1.26 0.08 115.29 121.57 2aas s HIS 105 Ca 0.23 1.67 0.06 0.00 -0.15 0.00 0.00 55.06 56.88 2aas s HIS 105 Cb 0.03 -2.82 -0.03 0.00 1.11 0.00 0.00 32.58 30.87 2aas s HIS 105 CO 0.06 0.35 -0.16 0.96 -0.85 0.00 0.00 174.74 175.10 2aas s ILE 106 N -1.42 2.96 -0.32 0.60 -4.36 -1.26 0.27 121.20 117.67 2aas s ILE 106 Ca 0.44 -1.06 -0.07 0.00 -0.26 0.00 0.00 60.65 59.69 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 0.38 0.11 -0.63 0.24 0.00 0.00 174.94 175.29 2aas s ILE 107 N -0.91 4.01 -0.09 8.37 1.01 0.37 -2.76 121.20 131.20 2aas s ILE 107 Ca 0.15 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2aas s ILE 107 Cb -0.11 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 2aas s ILE 107 CO 0.05 -0.06 -0.07 0.68 0.00 0.00 0.00 174.94 175.54 2aas s VAL 108 N 1.47 3.65 -0.47 2.92 -7.23 -0.80 -1.72 120.40 118.23 2aas s VAL 108 Ca 0.01 -0.49 -0.25 0.00 -1.81 0.00 0.00 61.98 59.45 2aas s VAL 108 Cb -0.18 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.27 2aas s VAL 108 CO 0.03 0.57 0.90 0.00 -0.31 0.00 0.00 175.10 176.29 2aas s ALA 109 N -0.48 3.24 0.02 1.32 0.00 0.36 -1.55 121.76 124.67 2aas s ALA 109 Ca 0.07 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.18 2aas s ALA 109 Cb -0.12 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 2aas s ALA 109 CO 0.02 -2.06 -0.01 0.00 0.00 0.00 0.00 175.76 173.71 2aas s GLU 111 N -1.69 1.28 0.00 0.00 2.02 -0.49 -4.90 118.70 114.92 2aas s GLU 111 Ca 0.20 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.44 2aas s GLU 111 Cb -0.11 0.41 0.00 0.00 0.10 0.00 0.00 34.13 34.52 2aas s GLU 111 CO 0.11 -0.59 0.00 0.41 0.02 0.00 0.00 175.26 175.21 2aas n GLY 112 N -0.54 0.58 2.73 -1.39 0.00 -1.26 -0.45 105.19 104.86 2aas n GLY 112 Ca -0.05 -2.12 -0.19 0.00 0.00 0.00 0.00 46.02 43.65 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 1.80 0.63 1.61 2.47 -1.26 -3.13 114.94 117.05 2aas s ASN 113 Ca 0.00 -0.61 -0.16 0.00 0.42 0.00 0.00 52.86 52.51 2aas s ASN 113 Cb 0.00 0.35 -0.02 0.00 -1.45 0.00 0.00 41.25 40.13 2aas s ASN 113 CO 0.00 -0.37 1.10 -2.16 -3.72 0.00 0.00 177.10 171.95 2aas s PRO 114 N 2.31 3.02 0.11 0.43 0.04 -1.26 -5.08 135.00 134.58 2aas s PRO 114 Ca 0.08 1.37 -0.31 0.00 0.04 0.00 0.00 61.00 62.18 2aas s PRO 114 Cb -0.15 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 2aas s PRO 114 CO -0.25 -1.08 1.66 -0.47 0.04 0.00 0.00 177.00 176.91 2aas s TYR 115 N -2.30 2.58 0.10 0.56 5.04 -1.18 -5.00 117.35 117.14 2aas s TYR 115 Ca 0.67 0.35 0.01 0.00 -2.44 0.00 0.00 57.07 55.65 2aas s TYR 115 Cb -0.20 -4.00 -0.04 0.00 0.35 0.00 0.00 41.96 38.07 2aas s TYR 115 CO 0.38 -3.95 -0.03 0.14 -1.34 0.00 0.00 175.55 170.76 2aas s VAL 116 N 2.16 0.48 0.07 3.14 -7.23 0.40 -4.81 120.40 114.61 2aas s VAL 116 Ca 0.74 -1.90 -0.31 0.00 -1.81 0.00 0.00 61.98 58.70 2aas s VAL 116 Cb -0.43 -1.74 -0.07 0.00 0.56 0.00 0.00 36.38 34.70 2aas s VAL 116 CO 0.33 -0.81 1.51 -2.16 -0.31 0.00 0.00 175.10 173.65 2aas s PRO 117 N -3.89 4.25 -0.12 4.82 0.04 -1.26 -1.40 135.00 137.44 2aas s PRO 117 Ca 0.13 2.16 0.10 0.00 0.04 0.00 0.00 61.00 63.44 2aas s PRO 117 Cb 0.06 -3.47 -0.15 0.00 0.04 0.00 0.00 34.50 30.99 2aas s PRO 117 CO -0.04 -0.61 0.03 1.33 0.04 0.00 0.00 177.00 177.75 2aas n VAL 118 N 4.46 0.85 -3.88 -0.36 0.24 0.65 -4.21 118.33 116.09 2aas n VAL 118 Ca 0.14 -0.51 -0.10 0.00 -2.04 0.00 0.00 64.34 61.82 2aas n VAL 118 Cb 0.42 -0.69 -0.09 0.00 -1.47 0.00 0.00 33.84 32.00 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 -2.30 0.10 -0.07 6.34 3.76 -1.03 -2.68 115.29 119.41 2aas s HIS 119 Ca -0.07 -0.31 -0.01 0.00 -0.15 0.00 0.00 55.06 54.52 2aas s HIS 119 Cb 0.04 -0.07 -0.03 0.00 1.11 0.00 0.00 32.58 33.63 2aas s HIS 119 CO 0.50 -0.38 -0.02 0.12 -0.85 0.00 0.00 174.74 174.10 2aas s PHE 120 N -2.33 3.07 0.00 1.40 5.36 -1.26 -0.49 117.98 123.74 2aas s PHE 120 Ca -0.07 0.12 0.00 0.00 -0.96 0.00 0.00 56.93 56.02 2aas s PHE 120 Cb -0.02 -1.75 0.00 0.00 -0.34 0.00 0.00 43.02 40.91 2aas s PHE 120 CO -0.03 0.42 0.00 -3.47 -1.46 0.00 0.00 175.22 170.68 2aas n ASP 121 N 2.10 0.00 -4.16 6.13 2.03 -0.70 -4.92 116.55 117.03 2aas n ASP 121 Ca -0.18 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 54.90 2aas n ASP 121 Cb 0.53 -0.01 -0.14 0.00 -0.72 0.00 0.00 41.12 40.78 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 -2.33 1.33 -0.35 -1.67 0.00 -1.18 -5.01 121.76 112.55 2aas s ALA 122 Ca 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 51.96 51.08 2aas s ALA 122 Cb 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.87 2aas s ALA 122 CO 0.00 0.30 0.16 -1.54 0.00 0.00 0.00 175.76 174.68 2aas s SER 123 N -0.77 5.53 0.00 0.00 1.04 -1.26 -0.47 113.70 117.76 2aas s SER 123 Ca 0.05 -1.03 0.31 0.00 0.48 0.00 0.00 55.95 55.76 2aas s SER 123 Cb -0.07 -1.95 1.71 0.00 0.10 0.00 0.00 66.02 65.81 2aas s SER 123 CO 0.00 -0.35 2.12 0.52 0.98 0.00 0.00 173.24 176.52