#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 3.26 0.61 -1.58 -6.30 -1.26 -4.98 118.70 108.45 2aas s GLU 2 Ca 0.00 -0.26 -0.01 0.00 -2.50 0.00 0.00 54.97 52.20 2aas s GLU 2 Cb 0.00 -4.14 0.05 0.00 0.00 0.00 0.00 34.13 30.04 2aas s GLU 2 CO 0.00 -1.90 0.86 0.95 0.02 0.00 0.00 175.26 175.19 2aas s THR 3 N 5.01 2.51 0.31 -1.70 -4.23 -1.26 -5.00 115.64 111.28 2aas s THR 3 Ca 0.33 -0.55 0.07 0.00 -1.18 0.00 0.00 61.69 60.37 2aas s THR 3 Cb -0.10 -2.97 0.30 0.00 1.34 0.00 0.00 72.50 71.08 2aas s THR 3 CO 0.17 0.00 1.69 0.00 -0.54 0.00 0.00 174.62 175.94 2aas h ALA 4 N -0.17 1.60 -0.83 3.99 0.00 -1.94 -0.44 119.26 121.47 2aas h ALA 4 Ca -0.42 0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.68 2aas h ALA 4 Cb 1.30 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 2aas h ALA 4 CO 0.53 -0.39 0.54 0.00 0.00 0.00 0.00 179.25 179.93 2aas h ALA 5 N 1.75 1.07 -0.38 0.00 0.00 -1.78 -2.05 119.26 117.87 2aas h ALA 5 Ca 0.61 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.45 2aas h ALA 5 Cb 1.23 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2aas h ALA 5 CO -0.55 0.41 0.10 0.00 0.00 0.00 0.00 179.25 179.21 2aas h ALA 6 N 1.32 1.48 -0.10 0.00 0.00 -1.40 -1.83 119.26 118.73 2aas h ALA 6 Ca 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2aas h ALA 6 Cb -0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2aas h ALA 6 CO -0.09 0.39 -0.03 -0.22 0.00 0.00 0.00 179.25 179.30 2aas h LYS 7 N 0.54 0.19 -0.67 0.00 3.64 -1.15 -1.31 116.57 117.82 2aas h LYS 7 Ca 0.13 -0.07 0.14 0.00 -1.27 0.00 0.00 60.65 59.58 2aas h LYS 7 Cb 0.19 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 31.89 2aas h LYS 7 CO -0.01 0.51 0.07 0.35 -2.27 0.00 0.00 179.45 178.10 2aas h PHE 8 N -0.14 0.08 -0.07 1.91 3.57 -0.97 0.20 116.94 121.52 2aas h PHE 8 Ca 0.02 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.60 2aas h PHE 8 Cb 0.44 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 2aas h PHE 8 CO 0.05 -0.13 -0.14 0.93 -2.23 0.00 0.00 178.31 176.79 2aas h GLU 9 N 0.18 -0.19 0.03 1.11 4.39 -1.13 0.58 114.58 119.55 2aas h GLU 9 Ca 0.36 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.07 2aas h GLU 9 Cb 0.60 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2aas h GLU 9 CO -0.52 -0.13 -0.02 -0.09 -1.16 0.00 0.00 179.01 177.09 2aas h ARG 10 N -0.20 -0.04 -0.81 2.33 2.43 -0.59 -0.64 114.38 116.85 2aas h ARG 10 Ca 0.07 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2aas h ARG 10 Cb 0.30 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 2aas h ARG 10 CO -0.19 0.22 0.42 1.96 -1.51 0.00 0.00 179.97 180.88 2aas h GLN 11 N -0.31 1.14 0.00 0.20 4.20 -0.51 -3.41 115.11 116.42 2aas h GLN 11 Ca -0.00 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.50 2aas h GLN 11 Cb 0.29 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2aas h GLN 11 CO 0.01 0.85 -1.23 0.72 -0.67 0.00 0.00 178.83 178.51 2aas n HIS 12 N -4.33 0.00 -3.05 2.96 8.25 0.18 -4.38 115.22 114.85 2aas n HIS 12 Ca 0.08 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.13 2aas n HIS 12 Cb 0.11 -0.15 -0.06 0.00 1.12 0.00 0.00 29.99 31.02 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 -2.08 4.16 -0.41 -0.41 -1.94 -0.25 0.51 119.30 118.88 2aas s MET 13 Ca -0.06 0.69 0.05 0.00 -1.71 0.00 0.00 55.69 54.66 2aas s MET 13 Cb 0.02 -3.63 0.18 0.00 2.01 0.00 0.00 34.83 33.41 2aas s MET 13 CO 0.08 -0.39 0.37 -3.47 -0.01 0.00 0.00 175.02 171.61 2aas n ASP 14 N 5.60 -0.41 0.07 3.03 2.03 -0.64 -4.91 116.55 121.32 2aas n ASP 14 Ca 0.01 -2.43 -0.12 0.00 0.52 0.00 0.00 54.79 52.77 2aas n ASP 14 Cb 0.49 -0.54 -0.03 0.00 -0.72 0.00 0.00 41.12 40.32 2aas n ASP 14 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2aas h SER 15 N 5.34 0.46 -0.60 1.67 4.64 -1.79 -3.34 113.55 119.93 2aas h SER 15 Ca 0.23 -0.36 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 2aas h SER 15 Cb 0.91 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.83 2aas h SER 15 CO 0.38 1.15 0.21 0.77 -0.87 0.00 0.00 176.83 178.48 2aas h SER 16 N 0.21 0.85 -3.46 4.97 4.64 -1.94 -3.38 113.55 115.44 2aas h SER 16 Ca -0.06 -0.19 -0.72 0.00 -0.47 0.00 0.00 61.79 60.34 2aas h SER 16 Cb 1.52 -0.22 -0.22 0.00 -0.31 0.00 0.00 62.40 63.17 2aas h SER 16 CO 0.15 0.81 -0.41 -0.89 -0.87 0.00 0.00 176.83 175.61 2aas s THR 17 N -5.48 5.17 -2.00 2.95 2.01 -1.25 -4.97 115.64 112.06 2aas s THR 17 Ca -0.13 -0.79 0.10 0.00 0.31 0.00 0.00 61.69 61.18 2aas s THR 17 Cb 0.13 -3.93 0.29 0.00 0.01 0.00 0.00 72.50 69.00 2aas s THR 17 CO 0.80 -0.37 1.22 -0.24 -0.69 0.00 0.00 174.62 175.34 2aas n SER 18 N 5.15 0.00 -3.62 3.53 2.88 -1.26 -4.79 113.62 115.50 2aas n SER 18 Ca -0.11 -1.23 -0.04 0.00 -1.33 0.00 0.00 58.87 56.15 2aas n SER 18 Cb 0.46 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.88 2aas n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2aas s ALA 19 N -2.00 -2.09 -0.67 -1.46 0.00 -1.26 -4.83 121.76 109.46 2aas s ALA 19 Ca 0.15 1.78 -0.26 0.00 0.00 0.00 0.00 51.96 53.63 2aas s ALA 19 Cb 0.07 -0.96 -0.06 0.00 0.00 0.00 0.00 23.12 22.17 2aas s ALA 19 CO 0.12 -0.36 2.15 0.00 0.00 0.00 0.00 175.76 177.66 2aas s ALA 20 N -1.45 1.62 -2.00 0.00 0.00 -1.26 -4.84 121.76 113.83 2aas s ALA 20 Ca 0.07 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.42 2aas s ALA 20 Cb -0.01 -4.42 0.22 0.00 0.00 0.00 0.00 23.12 18.92 2aas s ALA 20 CO -0.05 -4.64 0.80 -1.13 0.00 0.00 0.00 175.76 170.74 2aas n SER 21 N 15.08 0.00 -3.63 0.00 3.41 -1.26 -4.72 113.62 122.49 2aas n SER 21 Ca 0.34 -1.11 -0.15 0.00 -0.26 0.00 0.00 58.87 57.69 2aas n SER 21 Cb 0.50 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.50 -0.62 0.33 4.04 0.15 -1.26 -4.99 113.70 109.84 2aas s SER 22 Ca 0.06 1.05 0.18 0.00 0.70 0.00 0.00 55.95 57.94 2aas s SER 22 Cb 0.03 1.03 1.00 0.00 -1.71 0.00 0.00 66.02 66.37 2aas s SER 22 CO 0.04 -0.33 1.52 -1.54 1.20 0.00 0.00 173.24 174.13 2aas n SER 23 N 2.18 0.48 -0.35 5.45 3.41 -1.26 -1.55 113.62 121.98 2aas n SER 23 Ca -0.16 0.68 0.07 0.00 -0.26 0.00 0.00 58.87 59.21 2aas n SER 23 Cb 0.56 -0.70 0.13 0.00 -0.26 0.00 0.00 64.21 63.94 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 -2.19 1.79 -0.21 4.04 4.13 -1.26 -3.56 115.26 118.00 2aas n ASN 24 Ca -0.01 -3.08 0.02 0.00 1.68 0.00 0.00 54.58 53.18 2aas n ASN 24 Cb 0.15 -0.42 0.12 0.00 -1.54 0.00 0.00 39.78 38.10 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 0.31 0.14 -0.57 3.10 3.20 -1.64 -2.27 116.97 119.25 2aas h TYR 25 Ca -0.01 0.04 0.08 0.00 3.14 0.00 0.00 58.73 61.97 2aas h TYR 25 Cb 1.11 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.38 2aas h TYR 25 CO 0.22 -0.08 0.38 0.00 -1.64 0.00 0.00 178.16 177.04 2aas h ASN 27 N 0.47 -0.74 -0.39 0.00 4.21 -1.66 0.16 115.58 117.63 2aas h ASN 27 Ca 0.26 0.08 -0.08 0.00 1.21 0.00 0.00 56.30 57.77 2aas h ASN 27 Cb 0.40 0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.87 2aas h ASN 27 CO -0.07 -0.24 -0.07 1.56 -1.29 0.00 0.00 177.43 177.32 2aas h GLN 28 N -0.31 0.73 -0.36 0.81 7.50 -1.72 -3.29 115.11 118.46 2aas h GLN 28 Ca 0.00 -0.27 -0.01 0.00 0.50 0.00 0.00 58.65 58.88 2aas h GLN 28 Cb 0.33 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.79 2aas h GLN 28 CO -0.16 0.86 0.20 1.98 -1.50 0.00 0.00 178.83 180.21 2aas h MET 29 N 0.54 0.50 -0.39 1.46 4.05 -1.21 0.06 114.93 119.94 2aas h MET 29 Ca 0.10 -0.06 0.11 0.00 -0.28 0.00 0.00 59.70 59.58 2aas h MET 29 Cb 0.57 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 2aas h MET 29 CO 0.03 0.41 0.35 0.52 0.23 0.00 0.00 176.91 178.46 2aas h MET 30 N 0.46 0.00 0.02 0.39 2.86 -0.76 -1.27 114.93 116.63 2aas h MET 30 Ca 0.13 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.56 2aas h MET 30 Cb 0.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 2aas h MET 30 CO -0.02 0.00 -1.14 0.87 1.06 0.00 0.00 176.91 177.68 2aas h LYS 31 N 0.00 0.05 -0.53 1.72 1.57 -1.34 -3.18 116.57 114.86 2aas h LYS 31 Ca 0.19 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2aas h LYS 31 Cb 0.89 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.21 2aas h LYS 31 CO -0.00 1.04 0.30 0.66 -0.57 0.00 0.00 179.45 180.88 2aas h SER 32 N -0.85 0.64 -3.52 0.86 4.64 -0.82 -3.09 113.55 111.41 2aas h SER 32 Ca -0.30 -0.04 -0.62 0.00 -0.47 0.00 0.00 61.79 60.36 2aas h SER 32 Cb 1.36 -0.16 -0.12 0.00 -0.31 0.00 0.00 62.40 63.17 2aas h SER 32 CO -0.13 0.52 0.44 -0.13 -0.87 0.00 0.00 176.83 176.66 2aas s ARG 33 N -5.52 3.40 0.00 4.77 1.81 -0.50 -4.96 118.95 117.96 2aas s ARG 33 Ca -0.09 -0.12 0.00 0.00 -1.72 0.00 0.00 55.73 53.80 2aas s ARG 33 Cb 0.17 -3.97 0.00 0.00 -0.45 0.00 0.00 34.95 30.70 2aas s ARG 33 CO 0.76 -1.23 0.00 0.09 -0.68 0.00 0.00 175.30 174.24 2aas n ASN 34 N 6.97 0.00 0.21 0.23 5.03 -1.17 -4.27 115.26 122.26 2aas n ASN 34 Ca 0.03 -0.39 0.07 0.00 0.87 0.00 0.00 54.58 55.16 2aas n ASN 34 Cb 0.48 0.00 0.45 0.00 -1.02 0.00 0.00 39.78 39.69 2aas n ASN 34 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 2aas h LEU 35 N 2.77 0.00 -2.35 3.41 3.38 -1.79 -3.03 115.31 117.70 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 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2aas h LEU 35 CO 0.00 0.30 0.00 0.35 0.09 0.00 0.00 178.44 179.18 2aas n THR 36 N -3.74 0.53 1.76 0.22 -2.24 -1.20 -4.55 114.28 105.06 2aas n THR 36 Ca -0.01 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2aas n THR 36 Cb 0.40 0.96 0.02 0.00 -2.10 0.00 0.00 70.33 69.61 2aas n THR 36 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2aas n LYS 37 N 1.45 0.88 0.05 -0.78 4.76 -1.15 -2.66 118.16 120.72 2aas n LYS 37 Ca 0.19 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 2aas n LYS 37 Cb 0.60 -1.01 0.00 0.00 -1.84 0.00 0.00 35.03 32.78 2aas n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2aas n ASP 38 N -0.51 1.04 -3.98 4.39 2.03 -1.26 -5.09 116.55 113.17 2aas n ASP 38 Ca 0.00 0.14 -0.09 0.00 0.52 0.00 0.00 54.79 55.36 2aas n ASP 38 Cb 0.00 -0.31 -0.08 0.00 -0.72 0.00 0.00 41.12 40.02 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 -2.00 1.00 -0.36 -0.67 1.70 -1.09 -5.01 118.95 112.51 2aas s ARG 39 Ca 0.00 -1.17 -0.28 0.00 -0.47 0.00 0.00 55.73 53.81 2aas s ARG 39 Cb 0.00 0.33 -0.02 0.00 -0.57 0.00 0.00 34.95 34.69 2aas s ARG 39 CO 0.00 -0.33 1.87 0.00 -1.08 0.00 0.00 175.30 175.75 2aas s LYS 41 N 6.01 4.18 0.14 0.00 2.20 -1.26 -4.95 119.74 126.06 2aas s LYS 41 Ca 0.80 2.45 -0.31 0.00 -0.36 0.00 0.00 55.97 58.55 2aas s LYS 41 Cb -0.22 -3.34 -0.07 0.00 -1.51 0.00 0.00 37.83 32.69 2aas s LYS 41 CO 0.32 -0.72 1.55 -1.35 -0.36 0.00 0.00 175.35 174.79 2aas h PRO 42 N 7.55 -0.28 -3.46 4.03 0.11 -1.94 -3.41 132.00 134.60 2aas h PRO 42 Ca -0.43 0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.49 2aas h PRO 42 Cb 1.21 0.06 -0.28 0.00 0.11 0.00 0.00 31.00 32.10 2aas h PRO 42 CO 0.93 -0.19 -0.60 0.08 -0.21 0.00 0.00 178.00 178.01 2aas s VAL 43 N -5.66 -0.01 0.10 3.15 1.01 -1.26 -0.92 120.40 116.82 2aas s VAL 43 Ca -0.14 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 2aas s VAL 43 Cb 0.10 -0.16 0.02 0.00 0.00 0.00 0.00 36.38 36.34 2aas s VAL 43 CO 0.62 0.01 0.29 0.21 0.00 0.00 0.00 175.10 176.23 2aas s ASN 44 N 0.17 -0.05 -0.06 3.32 2.47 -0.21 -5.03 114.94 115.55 2aas s ASN 44 Ca -0.01 -0.49 0.05 0.00 0.42 0.00 0.00 52.86 52.83 2aas s ASN 44 Cb -0.02 0.40 -0.01 0.00 -1.45 0.00 0.00 41.25 40.17 2aas s ASN 44 CO -0.00 -0.78 -0.23 -0.89 -3.72 0.00 0.00 177.10 171.47 2aas s THR 45 N -3.80 1.91 0.06 -5.21 2.01 -1.26 0.09 115.64 109.43 2aas s THR 45 Ca 0.04 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.06 2aas s THR 45 Cb 0.03 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 2aas s THR 45 CO -0.11 0.53 0.19 -0.36 -0.69 0.00 0.00 174.62 174.18 2aas s PHE 46 N -0.03 3.47 -0.18 4.92 0.08 0.15 -4.04 117.98 122.35 2aas s PHE 46 Ca -0.06 0.23 0.00 0.00 0.12 0.00 0.00 56.93 57.22 2aas s PHE 46 Cb -0.14 -1.74 0.04 0.00 -0.57 0.00 0.00 43.02 40.61 2aas s PHE 46 CO 0.04 0.58 -0.08 0.08 -0.10 0.00 0.00 175.22 175.74 2aas s VAL 47 N -1.48 1.42 -1.05 -0.44 1.01 0.18 0.40 120.40 120.44 2aas s VAL 47 Ca 0.34 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 2aas s VAL 47 Cb -0.13 -1.53 0.28 0.00 0.00 0.00 0.00 36.38 35.00 2aas s VAL 47 CO 0.27 0.16 1.98 1.41 0.00 0.00 0.00 175.10 178.91 2aas n HIS 48 N 4.77 2.73 -4.04 5.22 8.25 0.50 -1.62 115.22 131.03 2aas n HIS 48 Ca -0.14 -2.57 -0.08 0.00 -0.26 0.00 0.00 57.72 54.67 2aas n HIS 48 Cb 0.47 -1.32 -0.11 0.00 1.12 0.00 0.00 29.99 30.15 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 -3.66 0.47 0.60 -0.41 0.41 -1.26 -4.59 118.70 110.25 2aas s GLU 49 Ca 0.43 -0.92 -0.19 0.00 -0.41 0.00 0.00 54.97 53.89 2aas s GLU 49 Cb 0.22 0.15 -0.03 0.00 -1.78 0.00 0.00 34.13 32.68 2aas s GLU 49 CO -0.15 -0.08 1.24 -1.54 -0.49 0.00 0.00 175.26 174.24 2aas s SER 50 N -2.19 5.09 0.21 -0.19 1.04 -1.26 -4.08 113.70 112.32 2aas s SER 50 Ca -0.04 2.47 -0.10 0.00 0.48 0.00 0.00 55.95 58.75 2aas s SER 50 Cb -0.01 -2.61 0.18 0.00 0.10 0.00 0.00 66.02 63.69 2aas s SER 50 CO -0.05 -1.66 1.85 0.25 0.98 0.00 0.00 173.24 174.61 2aas h LEU 51 N 0.89 0.75 -0.74 2.42 5.85 -1.99 -2.12 115.31 120.37 2aas h LEU 51 Ca -0.51 -0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.34 2aas h LEU 51 Cb 1.31 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 42.08 2aas h LEU 51 CO 0.55 0.52 0.31 0.00 -0.34 0.00 0.00 178.44 179.48 2aas h ALA 52 N 1.30 1.04 -0.53 1.25 0.00 -1.99 0.42 119.26 120.74 2aas h ALA 52 Ca 0.28 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 2aas h ALA 52 Cb -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2aas h ALA 52 CO -0.10 -0.18 0.00 0.22 0.00 0.00 0.00 179.25 179.19 2aas h ASP 53 N 0.47 0.88 0.26 0.00 3.58 -1.79 -2.58 116.42 117.24 2aas h ASP 53 Ca 0.40 -0.23 -0.26 0.00 0.42 0.00 0.00 57.03 57.36 2aas h ASP 53 Cb 0.57 -0.23 0.01 0.00 1.72 0.00 0.00 39.33 41.40 2aas h ASP 53 CO -0.38 0.94 -1.08 0.58 -2.88 0.00 0.00 179.24 176.42 2aas h VAL 54 N 0.84 1.36 -0.70 2.25 2.07 -0.79 -3.17 116.25 118.11 2aas h VAL 54 Ca 0.16 -2.50 0.14 0.00 0.82 0.00 0.00 66.70 65.32 2aas h VAL 54 Cb 0.49 2.55 -0.04 0.00 -1.52 0.00 0.00 31.29 32.77 2aas h VAL 54 CO 0.02 0.75 0.47 1.56 0.02 0.00 0.00 177.57 180.40 2aas h GLN 55 N 0.25 0.33 0.00 1.57 4.20 -0.12 -0.43 115.11 120.91 2aas h GLN 55 Ca -0.12 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.57 2aas h GLN 55 Cb 1.74 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.44 2aas h GLN 55 CO 0.20 0.22 0.00 0.00 -0.67 0.00 0.00 178.83 178.58 2aas h ALA 56 N 1.67 1.00 -0.14 3.87 0.00 -1.43 -1.81 119.26 122.42 2aas h ALA 56 Ca 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.10 2aas h ALA 56 Cb 0.84 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2aas h ALA 56 CO -0.09 0.00 -0.53 0.28 0.00 0.00 0.00 179.25 178.91 2aas h VAL 57 N 0.00 1.34 0.00 0.00 2.07 -1.20 -3.17 116.25 115.29 2aas h VAL 57 Ca 0.00 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.73 2aas h VAL 57 Cb 0.07 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2aas h VAL 57 CO 0.00 0.54 0.08 0.00 0.02 0.00 0.00 177.57 178.21 2aas n SER 59 N -2.65 2.20 0.00 0.00 7.64 -1.20 -4.92 113.62 114.69 2aas n SER 59 Ca -0.02 -3.48 0.00 0.00 1.01 0.00 0.00 58.87 56.38 2aas n SER 59 Cb 0.13 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 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 -1.22 0.00 -4.55 1.43 6.02 -0.56 -5.03 117.38 113.48 2aas n GLN 60 Ca 0.19 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.87 2aas n GLN 60 Cb 0.71 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.81 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 0.00 2.63 0.03 -1.09 2.20 -0.17 -5.01 119.74 118.33 2aas s LYS 61 Ca 0.00 -0.71 -0.27 0.00 -0.36 0.00 0.00 55.97 54.63 2aas s LYS 61 Cb 0.00 -2.18 -0.05 0.00 -1.51 0.00 0.00 37.83 34.10 2aas s LYS 61 CO 0.00 -0.05 0.85 1.21 -0.36 0.00 0.00 175.35 177.01 2aas s ASN 62 N 0.92 7.28 0.18 1.43 3.04 -1.26 -0.07 114.94 126.45 2aas s ASN 62 Ca -0.06 1.53 0.00 0.00 0.04 0.00 0.00 52.86 54.37 2aas s ASN 62 Cb -0.15 -2.51 -0.04 0.00 -1.54 0.00 0.00 41.25 37.00 2aas s ASN 62 CO -0.02 -0.10 0.06 0.68 -3.04 0.00 0.00 177.10 174.68 2aas s VAL 63 N 0.39 0.36 -0.08 -5.21 -7.23 0.25 -4.91 120.40 103.97 2aas s VAL 63 Ca 0.44 -1.96 -0.14 0.00 -1.81 0.00 0.00 61.98 58.50 2aas s VAL 63 Cb -0.21 -2.25 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 2aas s VAL 63 CO 0.25 -0.31 0.35 0.00 -0.31 0.00 0.00 175.10 175.07 2aas s ALA 64 N -3.88 3.66 0.65 1.32 0.00 -1.26 -2.35 121.76 119.88 2aas s ALA 64 Ca 0.29 -0.35 -0.15 0.00 0.00 0.00 0.00 51.96 51.75 2aas s ALA 64 Cb 0.07 -2.37 -0.01 0.00 0.00 0.00 0.00 23.12 20.81 2aas s ALA 64 CO 0.06 0.31 1.10 0.00 0.00 0.00 0.00 175.76 177.23 2aas h LYS 66 N 0.10 0.08 0.00 0.00 1.79 -1.98 0.20 116.57 116.76 2aas h LYS 66 Ca -0.47 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 2aas h LYS 66 Cb 1.24 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 2aas h LYS 66 CO 0.55 0.05 0.00 -2.95 -1.08 0.00 0.00 179.45 176.02 2aas h ASN 67 N 0.08 0.00 0.00 0.86 -1.07 -2.05 -3.47 115.58 109.93 2aas h ASN 67 Ca 0.77 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.14 2aas h ASN 67 Cb 1.92 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.17 2aas h ASN 67 CO -0.75 0.00 0.00 0.61 0.07 0.00 0.00 177.43 177.36 2aas n GLY 68 N 0.65 1.30 3.84 9.14 0.00 0.69 -5.12 105.19 115.69 2aas n GLY 68 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.04 3.95 -0.06 1.61 -1.52 -1.24 -4.86 119.66 117.51 2aas s GLN 69 Ca 0.00 0.44 0.05 0.00 -1.95 0.00 0.00 55.36 53.90 2aas s GLN 69 Cb 0.00 -3.12 0.25 0.00 -0.22 0.00 0.00 33.01 29.92 2aas s GLN 69 CO 0.00 0.61 0.97 0.25 -0.25 0.00 0.00 175.29 176.87 2aas n THR 70 N 1.41 0.75 -1.38 -0.19 -2.24 -1.26 0.15 114.28 111.53 2aas n THR 70 Ca -0.10 -0.42 -0.15 0.00 -2.27 0.00 0.00 64.05 61.11 2aas n THR 70 Cb 0.52 -0.29 0.18 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.20 3.37 -4.56 3.42 6.94 -1.26 -4.68 115.26 118.70 2aas n ASN 71 Ca 0.09 -3.72 -0.30 0.00 -0.02 0.00 0.00 54.58 50.63 2aas n ASN 71 Cb 0.47 -0.73 -0.10 0.00 -2.36 0.00 0.00 39.78 37.05 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 -1.16 -0.11 -0.02 0.00 2.02 0.36 -0.58 117.35 117.87 2aas s TYR 73 Ca 0.20 0.27 0.02 0.00 -0.37 0.00 0.00 57.07 57.19 2aas s TYR 73 Cb -0.11 0.04 -0.03 0.00 -0.40 0.00 0.00 41.96 41.45 2aas s TYR 73 CO 0.12 -0.07 -0.03 -1.14 -1.57 0.00 0.00 175.55 172.86 2aas s GLN 74 N -0.00 2.71 0.55 -0.62 0.74 0.90 -1.21 119.66 122.72 2aas s GLN 74 Ca -0.01 -0.63 -0.15 0.00 0.05 0.00 0.00 55.36 54.63 2aas s GLN 74 Cb -0.01 -2.60 -0.06 0.00 1.10 0.00 0.00 33.01 31.43 2aas s GLN 74 CO 0.00 0.63 1.00 -1.54 -0.55 0.00 0.00 175.29 174.83 2aas s SER 75 N -1.34 6.46 0.15 6.67 1.04 -0.90 -1.00 113.70 124.77 2aas s SER 75 Ca 0.17 1.53 0.27 0.00 0.48 0.00 0.00 55.95 58.40 2aas s SER 75 Cb -0.11 -2.50 0.94 0.00 0.10 0.00 0.00 66.02 64.45 2aas s SER 75 CO 0.07 -0.71 1.81 -1.22 0.98 0.00 0.00 173.24 174.18 2aas n TYR 76 N -1.98 0.63 -3.97 5.02 4.01 -1.26 -4.76 117.16 114.85 2aas n TYR 76 Ca 0.06 0.19 -0.08 0.00 -0.16 0.00 0.00 57.90 57.91 2aas n TYR 76 Cb 0.54 -0.81 -0.03 0.00 -0.31 0.00 0.00 39.34 38.74 2aas n TYR 76 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2aas n SER 77 N -2.02 -0.50 -4.86 7.72 2.88 -1.26 -5.09 113.62 110.49 2aas n SER 77 Ca 0.06 -1.98 -0.36 0.00 -1.33 0.00 0.00 58.87 55.25 2aas n SER 77 Cb 0.39 1.02 -0.06 0.00 -0.75 0.00 0.00 64.21 64.81 2aas n SER 77 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2aas s THR 78 N -2.63 5.18 0.10 2.46 -4.23 -1.26 -4.45 115.64 110.81 2aas s THR 78 Ca 0.16 0.51 0.08 0.00 -1.18 0.00 0.00 61.69 61.27 2aas s THR 78 Cb 0.00 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 2aas s THR 78 CO 0.12 0.47 -0.21 -0.04 -0.54 0.00 0.00 174.62 174.42 2aas s MET 79 N -1.40 1.14 -0.64 3.99 -1.94 0.39 -4.82 119.30 116.01 2aas s MET 79 Ca 0.25 -1.15 -0.26 0.00 -1.71 0.00 0.00 55.69 52.82 2aas s MET 79 Cb -0.15 -1.39 -0.02 0.00 2.01 0.00 0.00 34.83 35.28 2aas s MET 79 CO 0.13 0.33 1.80 0.45 -0.01 0.00 0.00 175.02 177.72 2aas s SER 80 N -1.87 5.36 -0.03 3.03 0.15 -1.26 -1.95 113.70 117.13 2aas s SER 80 Ca 0.06 0.19 0.07 0.00 0.70 0.00 0.00 55.95 56.98 2aas s SER 80 Cb -0.10 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.66 2aas s SER 80 CO 0.04 -2.34 -0.24 0.27 1.20 0.00 0.00 173.24 172.18 2aas s ILE 81 N 8.76 2.23 -0.35 6.45 -5.25 0.51 -0.37 121.20 133.19 2aas s ILE 81 Ca 0.64 -1.04 -0.02 0.00 -0.99 0.00 0.00 60.65 59.24 2aas s ILE 81 Cb -0.12 -1.79 0.08 0.00 2.95 0.00 0.00 42.46 43.57 2aas s ILE 81 CO 0.19 0.58 0.09 -0.89 -1.79 0.00 0.00 174.94 173.12 2aas s THR 82 N -0.58 3.12 -0.17 8.37 2.01 0.16 -0.41 115.64 128.13 2aas s THR 82 Ca 0.09 -1.69 -0.29 0.00 0.31 0.00 0.00 61.69 60.11 2aas s THR 82 Cb -0.11 -2.96 -0.00 0.00 0.01 0.00 0.00 72.50 69.45 2aas s THR 82 CO -0.00 -0.37 1.03 -1.81 -0.69 0.00 0.00 174.62 172.78 2aas s ASP 83 N 1.47 7.16 -0.40 3.53 1.11 0.14 0.31 116.67 129.99 2aas s ASP 83 Ca 0.01 1.46 -0.05 0.00 0.18 0.00 0.00 52.55 54.14 2aas s ASP 83 Cb -0.21 -2.55 0.09 0.00 1.07 0.00 0.00 42.92 41.32 2aas s ASP 83 CO -0.02 -0.58 0.20 0.00 1.18 0.00 0.00 175.17 175.95 2aas s ARG 85 N 1.27 2.26 0.46 0.00 3.00 -0.27 -1.04 118.95 124.63 2aas s ARG 85 Ca 0.04 -0.87 -0.25 0.00 0.00 0.00 0.00 55.73 54.65 2aas s ARG 85 Cb -0.23 -2.30 -0.08 0.00 0.00 0.00 0.00 34.95 32.34 2aas s ARG 85 CO -0.01 0.57 1.38 -1.21 0.00 0.00 0.00 175.30 176.02 2aas s GLU 86 N -1.38 3.64 0.45 3.54 2.02 -0.10 0.51 118.70 127.38 2aas s GLU 86 Ca 0.15 2.31 0.02 0.00 0.02 0.00 0.00 54.97 57.47 2aas s GLU 86 Cb -0.11 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.53 2aas s GLU 86 CO 0.06 -0.81 0.65 0.95 0.02 0.00 0.00 175.26 176.13 2aas s THR 87 N -1.24 3.71 0.31 3.63 -4.23 -0.56 -4.62 115.64 112.63 2aas s THR 87 Ca 0.62 -0.64 0.04 0.00 -1.18 0.00 0.00 61.69 60.54 2aas s THR 87 Cb -0.41 -3.35 0.30 0.00 1.34 0.00 0.00 72.50 70.37 2aas s THR 87 CO 0.53 -0.22 1.85 1.23 -0.54 0.00 0.00 174.62 177.47 2aas h GLY 88 N 0.43 1.46 -3.86 3.99 0.00 -1.97 -2.54 103.07 100.58 2aas h GLY 88 Ca -0.45 -0.38 -0.53 0.00 0.00 0.00 0.00 47.33 45.97 2aas h GLY 88 CO 0.55 0.15 0.67 -1.14 0.00 0.00 0.00 176.54 176.77 2aas n SER 89 N -4.59 7.13 -4.22 0.19 3.41 -1.26 -4.82 113.62 109.46 2aas n SER 89 Ca 0.18 -3.46 -0.42 0.00 -0.26 0.00 0.00 58.87 54.91 2aas n SER 89 Cb 0.38 -1.03 -0.06 0.00 -0.26 0.00 0.00 64.21 63.24 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 -0.84 6.02 0.14 4.04 0.15 -0.96 -4.32 113.70 117.93 2aas s SER 90 Ca 0.50 -2.68 0.09 0.00 0.70 0.00 0.00 55.95 54.56 2aas s SER 90 Cb 0.39 -2.04 -0.04 0.00 -1.71 0.00 0.00 66.02 62.61 2aas s SER 90 CO -0.04 -0.50 -0.16 -1.59 1.20 0.00 0.00 173.24 172.15 2aas s LYS 91 N 0.19 1.87 0.13 5.44 0.00 -1.22 -4.77 119.74 121.38 2aas s LYS 91 Ca 0.16 -1.21 -0.30 0.00 0.00 0.00 0.00 55.97 54.62 2aas s LYS 91 Cb -0.16 -2.13 -0.06 0.00 0.00 0.00 0.00 37.83 35.48 2aas s LYS 91 CO -0.06 0.47 1.07 -0.47 0.00 0.00 0.00 175.35 176.36 2aas s TYR 92 N -1.32 3.63 -2.48 1.78 5.04 -1.26 -0.44 117.35 122.30 2aas s TYR 92 Ca 0.20 1.61 0.27 0.00 -2.44 0.00 0.00 57.07 56.71 2aas s TYR 92 Cb -0.10 -3.23 0.99 0.00 0.35 0.00 0.00 41.96 39.97 2aas s TYR 92 CO 0.12 -0.46 1.71 -0.35 -1.34 0.00 0.00 175.55 175.23 2aas n PRO 93 N 2.84 1.69 -2.99 4.97 -0.04 -1.26 -4.98 135.00 135.22 2aas n PRO 93 Ca 0.04 -1.01 -0.44 0.00 -0.04 0.00 0.00 63.50 62.05 2aas n PRO 93 Cb 0.47 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.22 5.47 -4.74 3.54 5.15 0.41 -4.96 115.26 120.36 2aas n ASN 94 Ca 0.19 -3.08 -0.41 0.00 -0.60 0.00 0.00 54.58 50.68 2aas n ASN 94 Cb 0.36 -1.45 -0.05 0.00 -0.53 0.00 0.00 39.78 38.11 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 -0.36 1.77 0.07 0.00 0.00 -1.26 -4.61 121.76 117.37 2aas s ALA 96 Ca 0.47 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.71 2aas s ALA 96 Cb -0.26 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 2aas s ALA 96 CO 0.33 -0.10 -0.19 0.71 0.00 0.00 0.00 175.76 176.50 2aas s TYR 97 N 1.02 1.63 -0.16 0.00 1.51 -1.26 -1.49 117.35 118.60 2aas s TYR 97 Ca -0.05 -0.40 -0.22 0.00 -1.01 0.00 0.00 57.07 55.38 2aas s TYR 97 Cb -0.15 -0.93 -0.03 0.00 -0.11 0.00 0.00 41.96 40.75 2aas s TYR 97 CO -0.03 0.13 0.69 0.21 -1.11 0.00 0.00 175.55 175.45 2aas s LYS 98 N -1.60 4.29 -0.15 -0.62 2.20 0.18 -4.60 119.74 119.45 2aas s LYS 98 Ca 0.05 0.78 -0.02 0.00 -0.36 0.00 0.00 55.97 56.42 2aas s LYS 98 Cb -0.09 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.67 2aas s LYS 98 CO 0.03 -0.17 -0.09 0.99 -0.36 0.00 0.00 175.35 175.74 2aas s THR 99 N 1.66 3.28 -0.21 3.43 2.01 -1.23 -1.11 115.64 123.46 2aas s THR 99 Ca 0.33 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.78 2aas s THR 99 Cb -0.16 -2.42 0.05 0.00 0.01 0.00 0.00 72.50 69.98 2aas s THR 99 CO 0.13 0.50 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.58 2aas s THR 100 N 0.59 1.63 -0.49 -0.82 2.01 0.19 -4.88 115.64 113.85 2aas s THR 100 Ca -0.06 -1.11 -0.22 0.00 0.31 0.00 0.00 61.69 60.60 2aas s THR 100 Cb -0.15 -1.77 0.04 0.00 0.01 0.00 0.00 72.50 70.63 2aas s THR 100 CO 0.03 0.06 0.79 -1.58 -0.69 0.00 0.00 174.62 173.24 2aas s GLN 101 N 1.38 3.32 0.09 4.92 2.00 -1.26 -0.68 119.66 129.43 2aas s GLN 101 Ca -0.03 -0.32 0.04 0.00 -2.00 0.00 0.00 55.36 53.05 2aas s GLN 101 Cb -0.17 -4.01 -0.03 0.00 0.80 0.00 0.00 33.01 29.60 2aas s GLN 101 CO -0.07 -1.25 -0.11 0.00 -0.50 0.00 0.00 175.29 173.35 2aas s ALA 102 N 3.35 1.16 -0.39 1.58 0.00 0.45 -5.02 121.76 122.89 2aas s ALA 102 Ca 0.27 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 2aas s ALA 102 Cb -0.14 -0.01 0.11 0.00 0.00 0.00 0.00 23.12 23.08 2aas s ALA 102 CO 0.19 0.03 0.16 1.21 0.00 0.00 0.00 175.76 177.35 2aas s ASN 103 N -2.25 5.11 0.13 0.00 2.47 -1.26 -0.36 114.94 118.78 2aas s ASN 103 Ca 0.04 -2.06 0.02 0.00 0.42 0.00 0.00 52.86 51.28 2aas s ASN 103 Cb -0.05 -1.77 -0.04 0.00 -1.45 0.00 0.00 41.25 37.93 2aas s ASN 103 CO 0.01 -0.49 -0.05 -0.54 -3.72 0.00 0.00 177.10 172.31 2aas s LYS 104 N 1.07 0.96 0.56 0.43 1.02 -0.83 -4.78 119.74 118.17 2aas s LYS 104 Ca 0.09 -1.42 -0.19 0.00 0.02 0.00 0.00 55.97 54.47 2aas s LYS 104 Cb -0.22 -0.29 -0.05 0.00 -0.52 0.00 0.00 37.83 36.75 2aas s LYS 104 CO -0.05 -0.04 1.13 -1.01 -0.92 0.00 0.00 175.35 174.45 2aas s HIS 105 N -3.59 2.66 0.07 3.18 3.76 -1.26 -0.46 115.29 119.65 2aas s HIS 105 Ca 0.17 1.54 0.08 0.00 -0.15 0.00 0.00 55.06 56.70 2aas s HIS 105 Cb 0.05 -3.28 -0.03 0.00 1.11 0.00 0.00 32.58 30.43 2aas s HIS 105 CO -0.01 -1.60 -0.20 0.96 -0.85 0.00 0.00 174.74 173.04 2aas s ILE 106 N -1.83 1.65 -0.17 0.60 -4.36 -1.26 0.08 121.20 115.91 2aas s ILE 106 Ca 0.72 -1.34 -0.02 0.00 -0.26 0.00 0.00 60.65 59.75 2aas s ILE 106 Cb -0.24 -1.47 -0.02 0.00 1.25 0.00 0.00 42.46 41.99 2aas s ILE 106 CO 0.29 0.07 -0.08 -0.63 0.24 0.00 0.00 174.94 174.83 2aas s ILE 107 N -0.96 3.34 0.06 8.37 1.01 0.45 -2.11 121.20 131.35 2aas s ILE 107 Ca 0.07 -0.54 0.10 0.00 0.00 0.00 0.00 60.65 60.27 2aas s ILE 107 Cb -0.09 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 2aas s ILE 107 CO 0.03 0.49 -0.26 0.68 0.00 0.00 0.00 174.94 175.87 2aas s VAL 108 N 0.72 2.15 -0.19 2.92 -7.23 -0.35 -0.97 120.40 117.44 2aas s VAL 108 Ca -0.04 -1.45 -0.21 0.00 -1.81 0.00 0.00 61.98 58.46 2aas s VAL 108 Cb -0.15 -1.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.92 2aas s VAL 108 CO 0.02 0.31 0.66 0.00 -0.31 0.00 0.00 175.10 175.78 2aas s ALA 109 N -0.85 3.54 0.01 1.32 0.00 0.74 -0.48 121.76 126.04 2aas s ALA 109 Ca 0.12 -0.22 0.08 0.00 0.00 0.00 0.00 51.96 51.94 2aas s ALA 109 Cb -0.10 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 2aas s ALA 109 CO 0.03 -0.56 -0.23 0.00 0.00 0.00 0.00 175.76 174.99 2aas s GLU 111 N -1.05 1.24 0.00 0.00 2.02 -0.62 -4.85 118.70 115.44 2aas s GLU 111 Ca 0.12 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.23 2aas s GLU 111 Cb -0.10 0.48 0.00 0.00 0.10 0.00 0.00 34.13 34.60 2aas s GLU 111 CO 0.02 -0.50 0.00 0.41 0.02 0.00 0.00 175.26 175.21 2aas n GLY 112 N -0.28 1.01 2.90 -1.39 0.00 -1.26 -0.66 105.19 105.51 2aas n GLY 112 Ca -0.11 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.74 2aas n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aas s ASN 113 N -0.83 4.16 0.72 1.61 4.22 -1.26 -2.33 114.94 121.23 2aas s ASN 113 Ca 0.00 -1.59 -0.11 0.00 -2.14 0.00 0.00 52.86 49.02 2aas s ASN 113 Cb 0.00 -1.22 0.02 0.00 1.28 0.00 0.00 41.25 41.34 2aas s ASN 113 CO 0.00 -0.33 1.08 -2.16 -2.04 0.00 0.00 177.10 173.65 2aas s PRO 114 N 1.32 2.72 0.26 3.55 0.04 -1.26 -5.09 135.00 136.53 2aas s PRO 114 Ca 0.03 0.65 -0.31 0.00 0.04 0.00 0.00 61.00 61.42 2aas s PRO 114 Cb -0.18 -1.99 -0.13 0.00 0.04 0.00 0.00 34.50 32.24 2aas s PRO 114 CO -0.12 -1.18 1.45 0.66 0.04 0.00 0.00 177.00 177.85 2aas n TYR 115 N -3.14 2.34 -4.24 0.56 4.02 -0.99 -5.01 117.16 110.70 2aas n TYR 115 Ca 0.07 0.39 -0.18 0.00 -0.01 0.00 0.00 57.90 58.17 2aas n TYR 115 Cb 0.56 -2.49 -0.15 0.00 -0.02 0.00 0.00 39.34 37.24 2aas n TYR 115 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2aas s VAL 116 N -0.07 0.56 -0.06 -0.72 -7.23 0.16 -4.98 120.40 108.05 2aas s VAL 116 Ca 0.67 -0.26 -0.30 0.00 -1.81 0.00 0.00 61.98 60.28 2aas s VAL 116 Cb -0.61 -0.50 -0.06 0.00 0.56 0.00 0.00 36.38 35.77 2aas s VAL 116 CO 0.50 0.18 1.80 -2.84 -0.31 0.00 0.00 175.10 174.42 2aas s PRO 117 N 0.10 4.03 -0.17 4.82 0.02 -1.26 -1.59 135.00 140.95 2aas s PRO 117 Ca -0.01 2.24 0.13 0.00 0.02 0.00 0.00 61.00 63.38 2aas s PRO 117 Cb -0.06 -4.08 -0.20 0.00 0.02 0.00 0.00 34.50 30.18 2aas s PRO 117 CO -0.00 -1.05 0.03 1.33 -0.33 0.00 0.00 177.00 176.98 2aas n VAL 118 N 5.82 1.18 -3.92 3.83 0.24 0.29 -4.43 118.33 121.33 2aas n VAL 118 Ca 0.19 -0.69 -0.10 0.00 -2.04 0.00 0.00 64.34 61.70 2aas n VAL 118 Cb 0.43 -0.64 -0.11 0.00 -1.47 0.00 0.00 33.84 32.05 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 -2.41 0.13 -0.14 6.34 5.65 -1.05 -3.78 115.29 120.03 2aas s HIS 119 Ca -0.11 -0.28 -0.03 0.00 0.25 0.00 0.00 55.06 54.88 2aas s HIS 119 Cb 0.05 -0.11 -0.03 0.00 -1.18 0.00 0.00 32.58 31.32 2aas s HIS 119 CO 0.67 -0.21 -0.03 0.12 -0.65 0.00 0.00 174.74 174.64 2aas s PHE 120 N -1.26 3.04 0.00 3.88 2.19 -1.26 -0.19 117.98 124.39 2aas s PHE 120 Ca -0.14 -0.20 0.00 0.00 0.33 0.00 0.00 56.93 56.92 2aas s PHE 120 Cb -0.08 -1.92 0.00 0.00 -1.31 0.00 0.00 43.02 39.71 2aas s PHE 120 CO 0.00 0.06 0.00 -3.47 1.83 0.00 0.00 175.22 173.64 2aas n ASP 121 N 3.27 0.00 -3.80 6.13 2.03 -0.15 -4.94 116.55 119.09 2aas n ASP 121 Ca -0.17 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.01 2aas n ASP 121 Cb 0.53 -0.43 -0.09 0.00 -0.72 0.00 0.00 41.12 40.40 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 -2.92 -0.60 -0.18 -1.67 0.00 -1.21 -5.02 121.76 110.16 2aas s ALA 122 Ca 0.00 0.21 -0.08 0.00 0.00 0.00 0.00 51.96 52.09 2aas s ALA 122 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2aas s ALA 122 CO 0.00 -0.22 0.09 -1.12 0.00 0.00 0.00 175.76 174.51 2aas s SER 123 N -1.16 5.92 0.00 0.00 0.01 -1.26 -0.41 113.70 116.80 2aas s SER 123 Ca -0.12 0.17 0.16 0.00 1.31 0.00 0.00 55.95 57.47 2aas s SER 123 Cb -0.06 -2.01 0.13 0.00 0.21 0.00 0.00 66.02 64.29 2aas s SER 123 CO 0.03 0.19 1.01 0.52 0.41 0.00 0.00 173.24 175.40