#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 2.93 0.75 1.64 2.12 -1.26 -4.90 118.70 119.98 2aas s GLU 2 Ca 0.00 -0.51 -0.11 0.00 0.36 0.00 0.00 54.97 54.71 2aas s GLU 2 Cb 0.00 -5.09 0.05 0.00 0.26 0.00 0.00 34.13 29.35 2aas s GLU 2 CO 0.00 -2.90 1.11 0.95 -0.54 0.00 0.00 175.26 173.88 2aas s THR 3 N 8.13 2.63 0.27 -1.70 -4.23 -1.26 -4.83 115.64 114.65 2aas s THR 3 Ca 0.60 0.11 -0.08 0.00 -1.18 0.00 0.00 61.69 61.14 2aas s THR 3 Cb -0.05 -3.18 0.42 0.00 1.34 0.00 0.00 72.50 71.03 2aas s THR 3 CO -0.02 -0.23 1.57 0.00 -0.54 0.00 0.00 174.62 175.40 2aas h ALA 4 N -0.80 0.65 -0.45 3.99 0.00 -1.90 -0.40 119.26 120.34 2aas h ALA 4 Ca -0.45 0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2aas h ALA 4 Cb 1.30 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 2aas h ALA 4 CO 0.64 -0.40 0.24 0.00 0.00 0.00 0.00 179.25 179.74 2aas h ALA 5 N 1.94 0.58 -0.61 0.00 0.00 -1.79 -1.67 119.26 117.71 2aas h ALA 5 Ca 0.46 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 2aas h ALA 5 Cb 0.71 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2aas h ALA 5 CO -0.97 0.11 0.20 0.00 0.00 0.00 0.00 179.25 178.60 2aas h ALA 6 N 1.09 1.21 -0.09 0.00 0.00 -1.51 -2.54 119.26 117.42 2aas h ALA 6 Ca 0.16 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2aas h ALA 6 Cb 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2aas h ALA 6 CO -0.02 0.56 0.04 0.87 0.00 0.00 0.00 179.25 180.70 2aas h LYS 7 N 0.89 0.13 -0.64 0.00 1.57 -0.45 -0.92 116.57 117.14 2aas h LYS 7 Ca 0.20 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.08 2aas h LYS 7 Cb 0.23 -0.02 -0.12 0.00 0.08 0.00 0.00 32.23 32.40 2aas h LYS 7 CO -0.01 0.21 -0.32 0.35 -0.57 0.00 0.00 179.45 179.11 2aas h PHE 8 N 0.02 -0.87 -0.12 -1.35 3.57 -1.12 0.85 116.94 117.93 2aas h PHE 8 Ca 0.03 0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.64 2aas h PHE 8 Cb 0.12 0.48 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 2aas h PHE 8 CO -0.03 -0.38 -0.15 0.93 -2.23 0.00 0.00 178.31 176.46 2aas h GLU 9 N -0.13 -0.18 0.09 1.11 5.08 -1.13 0.61 114.58 120.03 2aas h GLU 9 Ca 0.26 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2aas h GLU 9 Cb 0.55 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2aas h GLU 9 CO -0.71 -0.12 -0.04 -0.09 -1.00 0.00 0.00 179.01 177.04 2aas h ARG 10 N -0.19 -0.12 -0.35 2.33 1.12 -0.71 0.10 114.38 116.58 2aas h ARG 10 Ca 0.09 0.01 -0.11 0.00 -1.11 0.00 0.00 59.98 58.86 2aas h ARG 10 Cb 0.32 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.29 2aas h ARG 10 CO -0.23 0.03 -0.23 1.96 -3.11 0.00 0.00 179.97 178.39 2aas h GLN 11 N -0.24 0.68 0.00 0.20 4.20 -0.73 -3.41 115.11 115.80 2aas h GLN 11 Ca -0.01 -0.27 -0.13 0.00 0.06 0.00 0.00 58.65 58.31 2aas h GLN 11 Cb 0.20 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 2aas h GLN 11 CO 0.02 0.85 -1.31 0.72 -0.67 0.00 0.00 178.83 178.44 2aas n HIS 12 N -4.12 0.00 -2.58 2.96 8.25 0.20 -4.43 115.22 115.50 2aas n HIS 12 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 2aas n HIS 12 Cb 0.42 -0.29 -0.02 0.00 1.12 0.00 0.00 29.99 31.22 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 -2.18 4.25 -0.26 -0.41 -1.94 0.35 0.23 119.30 119.33 2aas s MET 13 Ca -0.12 1.45 0.12 0.00 -1.71 0.00 0.00 55.69 55.44 2aas s MET 13 Cb 0.04 -3.68 0.47 0.00 2.01 0.00 0.00 34.83 33.67 2aas s MET 13 CO 0.15 -0.66 1.17 -0.25 -0.01 0.00 0.00 175.02 175.42 2aas n ASP 14 N 6.43 3.64 -0.28 3.03 9.92 -0.29 -4.91 116.55 134.10 2aas n ASP 14 Ca 0.13 -3.27 0.23 0.00 -0.53 0.00 0.00 54.79 51.34 2aas n ASP 14 Cb 0.46 -0.39 0.55 0.00 -0.64 0.00 0.00 41.12 41.10 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 2.13 0.35 -0.13 -2.24 0.02 -1.75 0.55 113.55 112.47 2aas h SER 15 Ca 0.19 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.12 2aas h SER 15 Cb 1.44 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.95 2aas h SER 15 CO 0.52 0.10 -0.10 -1.28 -1.14 0.00 0.00 176.83 174.93 2aas h SER 16 N 0.33 0.44 -3.29 3.07 0.87 -1.91 -3.42 113.55 109.64 2aas h SER 16 Ca 0.52 -0.10 -0.63 0.00 -1.23 0.00 0.00 61.79 60.35 2aas h SER 16 Cb 1.45 -0.12 -0.18 0.00 -0.44 0.00 0.00 62.40 63.11 2aas h SER 16 CO -0.19 0.58 -0.61 0.42 -0.53 0.00 0.00 176.83 176.50 2aas s THR 17 N -4.79 4.38 -0.32 2.23 -4.23 0.18 -5.02 115.64 108.07 2aas s THR 17 Ca -0.07 -0.18 0.25 0.00 -1.18 0.00 0.00 61.69 60.51 2aas s THR 17 Cb 0.15 -2.95 0.35 0.00 1.34 0.00 0.00 72.50 71.39 2aas s THR 17 CO 0.77 0.48 1.69 0.28 -0.54 0.00 0.00 174.62 177.30 2aas h SER 18 N 6.63 0.00 -4.36 3.99 0.02 -1.82 -3.43 113.55 114.58 2aas h SER 18 Ca -0.35 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 60.73 2aas h SER 18 Cb 1.18 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.53 2aas h SER 18 CO 0.67 0.00 0.58 0.00 -1.14 0.00 0.00 176.83 176.94 2aas s ALA 19 N -3.31 -1.91 -0.50 3.77 0.00 -1.26 -4.82 121.76 113.73 2aas s ALA 19 Ca 0.06 1.33 -0.26 0.00 0.00 0.00 0.00 51.96 53.09 2aas s ALA 19 Cb 0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 2aas s ALA 19 CO 0.64 -0.53 2.21 0.00 0.00 0.00 0.00 175.76 178.08 2aas s ALA 20 N -2.26 1.93 -2.00 0.00 0.00 -1.26 -4.86 121.76 113.31 2aas s ALA 20 Ca 0.04 -0.11 0.22 0.00 0.00 0.00 0.00 51.96 52.11 2aas s ALA 20 Cb -0.01 -4.30 1.34 0.00 0.00 0.00 0.00 23.12 20.15 2aas s ALA 20 CO -0.05 -4.09 1.74 -1.13 0.00 0.00 0.00 175.76 172.23 2aas n SER 21 N 14.41 0.00 -3.81 0.00 3.41 -1.26 -4.75 113.62 121.61 2aas n SER 21 Ca 0.31 -0.85 -0.12 0.00 -0.26 0.00 0.00 58.87 57.94 2aas n SER 21 Cb 0.53 0.00 -0.11 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 -1.92 -0.16 0.00 4.04 0.15 -1.26 -5.02 113.70 109.53 2aas s SER 22 Ca 0.34 0.24 0.07 0.00 0.70 0.00 0.00 55.95 57.30 2aas s SER 22 Cb 0.15 0.37 0.35 0.00 -1.71 0.00 0.00 66.02 65.18 2aas s SER 22 CO 0.26 -0.18 1.09 -1.54 1.20 0.00 0.00 173.24 174.07 2aas n SER 23 N 2.46 0.00 -0.24 5.45 3.41 -1.26 -1.89 113.62 121.55 2aas n SER 23 Ca -0.16 0.21 0.03 0.00 -0.26 0.00 0.00 58.87 58.69 2aas n SER 23 Cb 0.58 -0.30 0.02 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.30 1.42 -0.37 4.04 4.05 -1.26 -3.74 115.26 118.10 2aas n ASN 24 Ca 0.03 -1.21 0.02 0.00 0.45 0.00 0.00 54.58 53.87 2aas n ASN 24 Cb 0.06 0.09 0.08 0.00 1.23 0.00 0.00 39.78 41.24 2aas n ASN 24 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 2aas h TYR 25 N 1.16 -0.84 -0.80 1.20 3.20 -1.72 0.38 116.97 119.54 2aas h TYR 25 Ca 0.00 0.10 0.18 0.00 3.14 0.00 0.00 58.73 62.15 2aas h TYR 25 Cb 0.26 0.52 -0.05 0.00 1.54 0.00 0.00 36.73 38.99 2aas h TYR 25 CO 0.00 -0.42 0.54 0.00 -1.64 0.00 0.00 178.16 176.65 2aas h ASN 27 N 0.34 -1.25 -0.08 0.00 4.21 -1.16 0.25 115.58 117.89 2aas h ASN 27 Ca 0.40 0.18 -0.02 0.00 1.21 0.00 0.00 56.30 58.07 2aas h ASN 27 Cb 1.06 0.53 -0.00 0.00 -1.12 0.00 0.00 38.32 38.79 2aas h ASN 27 CO -0.12 -0.40 -0.04 1.56 -1.29 0.00 0.00 177.43 177.14 2aas h GLN 28 N -0.43 0.16 -0.17 0.81 7.50 -1.65 -3.18 115.11 118.16 2aas h GLN 28 Ca 0.10 -0.07 -0.02 0.00 0.50 0.00 0.00 58.65 59.16 2aas h GLN 28 Cb 0.60 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.12 2aas h GLN 28 CO -0.43 0.53 0.04 1.98 -1.50 0.00 0.00 178.83 179.45 2aas h MET 29 N -0.21 0.27 -0.95 1.46 4.05 -1.06 -1.94 114.93 116.55 2aas h MET 29 Ca 0.02 -0.07 0.11 0.00 -0.28 0.00 0.00 59.70 59.48 2aas h MET 29 Cb 0.48 -0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 31.17 2aas h MET 29 CO 0.01 0.43 0.58 0.52 0.23 0.00 0.00 176.91 178.68 2aas h MET 30 N 0.07 0.92 0.44 0.39 2.86 -0.64 -2.62 114.93 116.35 2aas h MET 30 Ca 0.05 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2aas h MET 30 Cb 0.28 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2aas h MET 30 CO 0.00 0.61 -0.21 -0.22 1.06 0.00 0.00 176.91 178.15 2aas h LYS 31 N 0.95 -0.57 -0.83 1.72 1.63 -1.43 -3.01 116.57 115.03 2aas h LYS 31 Ca 0.46 0.04 0.06 0.00 -0.85 0.00 0.00 60.65 60.36 2aas h LYS 31 Cb 0.42 0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 32.13 2aas h LYS 31 CO -0.25 -0.27 0.54 0.66 -3.45 0.00 0.00 179.45 176.69 2aas h SER 32 N -0.90 0.82 0.00 4.20 4.64 -1.30 -1.82 113.55 119.18 2aas h SER 32 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2aas h SER 32 Cb 0.57 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2aas h SER 32 CO 0.10 0.53 0.00 0.54 -0.87 0.00 0.00 176.83 177.13 2aas n ARG 33 N -4.48 0.73 -0.02 4.77 5.12 -0.99 -4.85 116.66 116.93 2aas n ARG 33 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 2aas n ARG 33 Cb 0.20 -1.30 0.00 0.00 -1.16 0.00 0.00 32.46 30.20 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 0.02 0.00 0.08 0.55 5.15 -0.69 -4.83 115.26 115.54 2aas n ASN 34 Ca 0.00 0.00 0.20 0.00 -0.60 0.00 0.00 54.58 54.18 2aas n ASN 34 Cb 0.15 -1.28 0.75 0.00 -0.53 0.00 0.00 39.78 38.87 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 0.00 -1.62 1.20 3.38 -1.70 0.10 115.31 116.67 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 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 2aas n THR 36 N -3.94 0.21 0.27 0.22 -2.24 -1.24 -4.37 114.28 103.20 2aas n THR 36 Ca 0.07 -0.61 0.03 0.00 -2.27 0.00 0.00 64.05 61.28 2aas n THR 36 Cb 0.57 1.01 0.16 0.00 -2.10 0.00 0.00 70.33 69.97 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 0.33 0.03 -0.02 -0.78 4.76 0.02 -2.82 118.16 119.69 2aas n LYS 37 Ca 0.05 0.33 -0.07 0.00 -2.87 0.00 0.00 58.31 55.75 2aas n LYS 37 Cb 0.21 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.88 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 -1.43 0.99 -3.88 4.39 9.92 -1.26 -5.08 116.55 120.20 2aas n ASP 38 Ca 0.02 0.15 -0.09 0.00 -0.53 0.00 0.00 54.79 54.35 2aas n ASP 38 Cb 0.07 -0.36 -0.08 0.00 -0.64 0.00 0.00 41.12 40.11 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 -2.23 0.80 -0.34 -1.24 1.70 -1.13 -5.00 118.95 111.52 2aas s ARG 39 Ca -0.12 -0.94 -0.29 0.00 -0.47 0.00 0.00 55.73 53.92 2aas s ARG 39 Cb 0.03 0.32 -0.01 0.00 -0.57 0.00 0.00 34.95 34.73 2aas s ARG 39 CO 0.16 -0.24 1.54 0.00 -1.08 0.00 0.00 175.30 175.67 2aas s LYS 41 N 4.97 4.29 0.20 0.00 2.20 -1.26 -4.97 119.74 125.16 2aas s LYS 41 Ca 0.68 2.01 -0.13 0.00 -0.36 0.00 0.00 55.97 58.17 2aas s LYS 41 Cb -0.19 -3.51 0.22 0.00 -1.51 0.00 0.00 37.83 32.85 2aas s LYS 41 CO 0.31 -0.55 1.68 -1.35 -0.36 0.00 0.00 175.35 175.08 2aas h PRO 42 N 7.64 0.13 -2.98 4.03 0.11 -1.94 -3.42 132.00 135.57 2aas h PRO 42 Ca -0.39 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.56 2aas h PRO 42 Cb 1.19 -0.03 -0.25 0.00 0.11 0.00 0.00 31.00 32.02 2aas h PRO 42 CO 0.89 0.09 -0.35 0.54 -0.21 0.00 0.00 178.00 178.96 2aas s VAL 43 N -6.16 0.00 0.19 3.15 0.11 -1.26 -1.53 120.40 114.90 2aas s VAL 43 Ca -0.13 -0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 58.72 2aas s VAL 43 Cb 0.17 -0.44 0.03 0.00 -1.53 0.00 0.00 36.38 34.61 2aas s VAL 43 CO 0.73 -0.01 0.54 0.21 -3.33 0.00 0.00 175.10 173.24 2aas s ASN 44 N 0.12 -0.30 -0.03 3.54 2.47 -0.61 -5.05 114.94 115.08 2aas s ASN 44 Ca -0.00 -0.41 0.02 0.00 0.42 0.00 0.00 52.86 52.89 2aas s ASN 44 Cb -0.02 0.59 0.01 0.00 -1.45 0.00 0.00 41.25 40.37 2aas s ASN 44 CO 0.01 -1.05 -0.07 -0.89 -3.72 0.00 0.00 177.10 171.38 2aas s THR 45 N -3.85 0.64 0.06 -5.21 2.01 -1.26 -0.24 115.64 107.79 2aas s THR 45 Ca 0.08 -0.27 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 2aas s THR 45 Cb -0.01 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 2aas s THR 45 CO -0.04 0.22 0.22 -0.36 -0.69 0.00 0.00 174.62 173.97 2aas s PHE 46 N 0.34 3.52 -0.25 4.92 0.08 0.12 -4.12 117.98 122.59 2aas s PHE 46 Ca -0.05 0.29 0.01 0.00 0.12 0.00 0.00 56.93 57.30 2aas s PHE 46 Cb -0.09 -1.79 0.07 0.00 -0.57 0.00 0.00 43.02 40.64 2aas s PHE 46 CO 0.00 0.58 -0.03 0.08 -0.10 0.00 0.00 175.22 175.75 2aas s VAL 47 N -1.51 1.55 -0.35 -0.44 1.01 0.14 0.66 120.40 121.46 2aas s VAL 47 Ca 0.35 -1.36 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 2aas s VAL 47 Cb -0.13 -1.88 0.04 0.00 0.00 0.00 0.00 36.38 34.41 2aas s VAL 47 CO 0.27 -0.20 2.75 1.41 0.00 0.00 0.00 175.10 179.33 2aas n HIS 48 N 4.64 1.31 -4.33 5.22 8.25 0.31 -1.13 115.22 129.50 2aas n HIS 48 Ca -0.09 -1.86 -0.17 0.00 -0.26 0.00 0.00 57.72 55.33 2aas n HIS 48 Cb 0.44 -1.32 -0.10 0.00 1.12 0.00 0.00 29.99 30.13 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 -1.29 1.28 0.72 -0.41 0.41 -1.26 -4.68 118.70 113.46 2aas s GLU 49 Ca 0.54 -1.60 -0.14 0.00 -0.41 0.00 0.00 54.97 53.36 2aas s GLU 49 Cb 0.34 -0.85 0.03 0.00 -1.78 0.00 0.00 34.13 31.88 2aas s GLU 49 CO -0.15 0.06 1.15 -1.54 -0.49 0.00 0.00 175.26 174.29 2aas s SER 50 N -3.29 4.52 0.26 -0.19 1.04 -1.26 -3.75 113.70 111.02 2aas s SER 50 Ca 0.23 2.15 -0.04 0.00 0.48 0.00 0.00 55.95 58.77 2aas s SER 50 Cb 0.03 -2.57 0.37 0.00 0.10 0.00 0.00 66.02 63.95 2aas s SER 50 CO 0.06 -2.03 1.88 0.25 0.98 0.00 0.00 173.24 174.38 2aas h LEU 51 N -0.34 1.02 -0.72 2.42 5.85 -1.99 -2.25 115.31 119.29 2aas h LEU 51 Ca -0.47 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.38 2aas h LEU 51 Cb 1.27 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 42.00 2aas h LEU 51 CO 0.51 0.66 0.31 0.00 -0.34 0.00 0.00 178.44 179.58 2aas h ALA 52 N 1.43 1.00 -0.53 1.25 0.00 -1.99 0.38 119.26 120.80 2aas h ALA 52 Ca 0.41 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.33 2aas h ALA 52 Cb 0.12 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2aas h ALA 52 CO -0.16 -0.16 0.01 -0.44 0.00 0.00 0.00 179.25 178.49 2aas h ASP 53 N 0.48 0.92 0.51 0.00 3.32 -1.80 -2.52 116.42 117.33 2aas h ASP 53 Ca 0.38 -0.30 -0.21 0.00 0.02 0.00 0.00 57.03 56.92 2aas h ASP 53 Cb 0.52 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2aas h ASP 53 CO -0.35 1.00 -0.93 0.58 -1.72 0.00 0.00 179.24 177.81 2aas h VAL 54 N 0.81 1.47 -0.78 -1.35 2.07 -0.81 -2.86 116.25 114.80 2aas h VAL 54 Ca 0.15 -2.61 0.09 0.00 0.82 0.00 0.00 66.70 65.15 2aas h VAL 54 Cb 0.52 2.49 -0.05 0.00 -1.52 0.00 0.00 31.29 32.73 2aas h VAL 54 CO 0.03 0.77 0.51 1.56 0.02 0.00 0.00 177.57 180.45 2aas h GLN 55 N 0.15 0.71 0.00 1.57 4.20 -0.28 -0.80 115.11 120.65 2aas h GLN 55 Ca -0.06 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.60 2aas h GLN 55 Cb 1.57 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.19 2aas h GLN 55 CO 0.15 0.47 0.00 0.00 -0.67 0.00 0.00 178.83 178.78 2aas h ALA 56 N 1.60 1.00 0.04 3.87 0.00 -1.20 -2.06 119.26 122.51 2aas h ALA 56 Ca 0.35 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 55.04 2aas h ALA 56 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2aas h ALA 56 CO -0.13 0.00 -1.02 0.28 0.00 0.00 0.00 179.25 178.38 2aas h VAL 57 N 0.00 1.52 -0.00 0.00 2.07 -1.18 -3.26 116.25 115.39 2aas h VAL 57 Ca 0.00 -2.85 0.00 0.00 0.82 0.00 0.00 66.70 64.67 2aas h VAL 57 Cb 0.13 2.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2aas h VAL 57 CO 0.00 0.83 0.07 0.00 0.02 0.00 0.00 177.57 178.49 2aas n SER 59 N -3.06 2.93 0.00 0.00 3.41 -1.23 -4.91 113.62 110.75 2aas n SER 59 Ca -0.03 -3.38 0.00 0.00 -0.26 0.00 0.00 58.87 55.20 2aas n SER 59 Cb 0.13 -0.56 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 -0.95 0.00 -3.77 4.33 6.02 -0.72 -5.05 117.38 117.23 2aas n GLN 60 Ca 0.25 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.87 2aas n GLN 60 Cb 0.89 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 32.02 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 1.07 3.21 0.15 -1.09 2.47 -0.58 -4.98 119.74 120.00 2aas s LYS 61 Ca 0.00 -0.77 -0.30 0.00 -1.56 0.00 0.00 55.97 53.33 2aas s LYS 61 Cb 0.00 -3.33 -0.07 0.00 -1.46 0.00 0.00 37.83 32.97 2aas s LYS 61 CO 0.00 -0.38 1.18 1.21 0.16 0.00 0.00 175.35 177.52 2aas s ASN 62 N 1.52 7.12 0.15 1.43 3.84 -1.26 0.05 114.94 127.79 2aas s ASN 62 Ca 0.03 2.15 -0.01 0.00 0.21 0.00 0.00 52.86 55.24 2aas s ASN 62 Cb -0.17 -2.60 -0.04 0.00 -0.55 0.00 0.00 41.25 37.90 2aas s ASN 62 CO 0.02 -0.36 0.07 0.68 -2.79 0.00 0.00 177.10 174.72 2aas s VAL 63 N 0.17 0.09 -0.04 -5.21 -7.23 0.38 -4.89 120.40 103.68 2aas s VAL 63 Ca 0.53 -1.93 -0.15 0.00 -1.81 0.00 0.00 61.98 58.62 2aas s VAL 63 Cb -0.31 -2.14 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 2aas s VAL 63 CO 0.34 -0.37 0.41 0.00 -0.31 0.00 0.00 175.10 175.18 2aas s ALA 64 N -4.07 3.64 0.62 1.32 0.00 -1.26 -2.38 121.76 119.64 2aas s ALA 64 Ca 0.27 -0.23 -0.16 0.00 0.00 0.00 0.00 51.96 51.84 2aas s ALA 64 Cb 0.07 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.73 2aas s ALA 64 CO 0.04 0.35 1.11 0.00 0.00 0.00 0.00 175.76 177.26 2aas h LYS 66 N 0.36 0.12 0.00 0.00 1.57 -1.97 0.19 116.57 116.85 2aas h LYS 66 Ca -0.48 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 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 0.55 0.08 -0.02 -2.95 -0.57 0.00 0.00 179.45 176.54 2aas h ASN 67 N 0.13 0.00 0.00 0.86 -1.07 -2.05 -3.48 115.58 109.98 2aas h ASN 67 Ca 0.80 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.17 2aas h ASN 67 Cb 2.26 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.51 2aas h ASN 67 CO -0.55 0.02 0.00 0.61 0.07 0.00 0.00 177.43 177.59 2aas n GLY 68 N 0.95 0.97 3.82 9.14 0.00 0.67 -5.12 105.19 115.63 2aas n GLY 68 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.29 4.14 0.00 1.61 -2.07 -1.25 -4.76 119.66 117.03 2aas s GLN 69 Ca 0.00 0.70 0.27 0.00 -1.82 0.00 0.00 55.36 54.51 2aas s GLN 69 Cb 0.00 -2.97 1.58 0.00 -1.09 0.00 0.00 33.01 30.54 2aas s GLN 69 CO 0.00 0.47 2.02 0.25 -1.32 0.00 0.00 175.29 176.72 2aas n THR 70 N 0.94 0.00 -1.41 3.63 -2.24 -1.26 -0.56 114.28 113.39 2aas n THR 70 Ca -0.05 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.38 2aas n THR 70 Cb 0.51 -0.38 0.07 0.00 -2.10 0.00 0.00 70.33 68.44 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 -0.86 7.40 -4.65 3.42 6.94 -1.26 -4.57 115.26 121.67 2aas n ASN 71 Ca 0.20 -3.79 -0.30 0.00 -0.02 0.00 0.00 54.58 50.68 2aas n ASN 71 Cb 0.11 -0.91 -0.08 0.00 -2.36 0.00 0.00 39.78 36.53 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 -1.34 -0.06 -0.04 0.00 1.51 0.40 -0.47 117.35 117.35 2aas s TYR 73 Ca 0.25 0.15 0.00 0.00 -1.01 0.00 0.00 57.07 56.46 2aas s TYR 73 Cb -0.11 0.02 -0.03 0.00 -0.11 0.00 0.00 41.96 41.72 2aas s TYR 73 CO 0.17 -0.03 -0.01 -1.14 -1.11 0.00 0.00 175.55 173.43 2aas s GLN 74 N 0.03 2.84 0.46 -0.62 0.74 0.11 -1.30 119.66 121.92 2aas s GLN 74 Ca -0.00 -0.54 -0.21 0.00 0.05 0.00 0.00 55.36 54.66 2aas s GLN 74 Cb -0.00 -2.70 -0.10 0.00 1.10 0.00 0.00 33.01 31.31 2aas s GLN 74 CO 0.00 0.65 1.00 -1.54 -0.55 0.00 0.00 175.29 174.85 2aas s SER 75 N -1.25 6.62 0.27 6.67 1.04 -0.77 -1.52 113.70 124.76 2aas s SER 75 Ca 0.17 1.82 0.24 0.00 0.48 0.00 0.00 55.95 58.66 2aas s SER 75 Cb -0.11 -2.55 1.00 0.00 0.10 0.00 0.00 66.02 64.45 2aas s SER 75 CO 0.07 -0.58 1.72 -1.22 0.98 0.00 0.00 173.24 174.21 2aas n TYR 76 N -0.80 0.85 -4.07 5.02 4.01 -1.26 -4.68 117.16 116.22 2aas n TYR 76 Ca 0.08 0.33 -0.13 0.00 -0.16 0.00 0.00 57.90 58.02 2aas n TYR 76 Cb 0.53 -1.04 -0.05 0.00 -0.31 0.00 0.00 39.34 38.48 2aas n TYR 76 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2aas s SER 77 N -4.31 0.68 0.29 7.72 0.15 -1.26 -5.09 113.70 111.89 2aas s SER 77 Ca 0.04 -1.38 -0.18 0.00 0.70 0.00 0.00 55.95 55.13 2aas s SER 77 Cb 0.09 0.64 -0.09 0.00 -1.71 0.00 0.00 66.02 64.95 2aas s SER 77 CO 0.40 -1.25 0.76 0.42 1.20 0.00 0.00 173.24 174.77 2aas s THR 78 N -3.27 4.59 0.04 6.45 -4.23 -1.26 -4.52 115.64 113.43 2aas s THR 78 Ca 0.29 1.16 0.05 0.00 -1.18 0.00 0.00 61.69 62.02 2aas s THR 78 Cb -0.00 -3.72 -0.02 0.00 1.34 0.00 0.00 72.50 70.09 2aas s THR 78 CO 0.18 -0.03 -0.16 -0.04 -0.54 0.00 0.00 174.62 174.03 2aas s MET 79 N -2.57 1.05 -0.70 3.99 -1.94 0.49 -4.84 119.30 114.79 2aas s MET 79 Ca 0.50 -0.79 -0.26 0.00 -1.71 0.00 0.00 55.69 53.43 2aas s MET 79 Cb -0.13 -1.09 -0.05 0.00 2.01 0.00 0.00 34.83 35.57 2aas s MET 79 CO 0.19 0.27 2.04 0.45 -0.01 0.00 0.00 175.02 177.96 2aas s SER 80 N -1.11 4.94 0.01 3.03 0.15 -1.26 -1.88 113.70 117.57 2aas s SER 80 Ca 0.03 0.11 0.06 0.00 0.70 0.00 0.00 55.95 56.85 2aas s SER 80 Cb -0.08 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.67 2aas s SER 80 CO 0.01 -2.74 -0.18 0.27 1.20 0.00 0.00 173.24 171.80 2aas s ILE 81 N 10.54 2.74 -0.37 6.45 -5.25 0.28 -0.53 121.20 135.05 2aas s ILE 81 Ca 0.76 -1.07 0.01 0.00 -0.99 0.00 0.00 60.65 59.36 2aas s ILE 81 Cb -0.11 -2.10 0.11 0.00 2.95 0.00 0.00 42.46 43.30 2aas s ILE 81 CO 0.13 0.44 0.12 -0.89 -1.79 0.00 0.00 174.94 172.95 2aas s THR 82 N -0.83 2.71 -0.11 8.37 2.01 0.21 -0.73 115.64 127.27 2aas s THR 82 Ca 0.13 -2.25 -0.30 0.00 0.31 0.00 0.00 61.69 59.59 2aas s THR 82 Cb -0.10 -2.93 -0.02 0.00 0.01 0.00 0.00 72.50 69.45 2aas s THR 82 CO 0.03 -0.64 1.17 -0.62 -0.69 0.00 0.00 174.62 173.87 2aas s ASP 83 N 1.27 7.06 -0.53 3.53 -1.08 0.20 0.15 116.67 127.27 2aas s ASP 83 Ca 0.10 1.70 -0.09 0.00 -0.52 0.00 0.00 52.55 53.74 2aas s ASP 83 Cb -0.21 -2.55 0.13 0.00 -1.46 0.00 0.00 42.92 38.84 2aas s ASP 83 CO -0.06 -0.61 0.40 0.00 0.52 0.00 0.00 175.17 175.42 2aas s ARG 85 N 1.09 3.36 0.32 0.00 6.06 -0.37 -1.57 118.95 127.85 2aas s ARG 85 Ca 0.08 -0.64 -0.29 0.00 -2.50 0.00 0.00 55.73 52.38 2aas s ARG 85 Cb -0.24 -2.94 -0.11 0.00 0.06 0.00 0.00 34.95 31.72 2aas s ARG 85 CO -0.02 -0.14 1.56 -1.91 -2.50 0.00 0.00 175.30 172.29 2aas n GLU 86 N 4.60 2.70 -2.55 5.12 2.13 -0.58 0.57 120.64 132.63 2aas n GLU 86 Ca -0.18 0.95 -0.27 0.00 0.66 0.00 0.00 57.16 58.32 2aas n GLU 86 Cb 0.51 -2.72 0.01 0.00 0.27 0.00 0.00 31.44 29.51 2aas n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2aas s THR 87 N -0.41 4.36 0.37 6.31 -4.23 -0.04 -4.78 115.64 117.23 2aas s THR 87 Ca 0.60 0.10 0.06 0.00 -1.18 0.00 0.00 61.69 61.27 2aas s THR 87 Cb -0.49 -3.68 0.29 0.00 1.34 0.00 0.00 72.50 69.96 2aas s THR 87 CO 0.54 -0.68 1.99 1.23 -0.54 0.00 0.00 174.62 177.16 2aas h GLY 88 N 0.07 0.85 -2.75 3.99 0.00 -1.96 -2.70 103.07 100.58 2aas h GLY 88 Ca -0.46 -0.28 -0.19 0.00 0.00 0.00 0.00 47.33 46.39 2aas h GLY 88 CO 0.61 0.23 0.24 -1.14 0.00 0.00 0.00 176.54 176.49 2aas n SER 89 N -4.47 3.27 -4.15 0.19 3.41 -1.26 -4.79 113.62 105.83 2aas n SER 89 Ca 0.09 -2.64 -0.39 0.00 -0.26 0.00 0.00 58.87 55.67 2aas n SER 89 Cb 0.18 -0.63 -0.08 0.00 -0.26 0.00 0.00 64.21 63.42 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 0.01 5.62 0.16 4.04 0.15 -1.02 -4.61 113.70 118.05 2aas s SER 90 Ca 0.23 -2.92 0.11 0.00 0.70 0.00 0.00 55.95 54.08 2aas s SER 90 Cb 0.20 -1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 62.53 2aas s SER 90 CO 0.05 -0.39 -0.26 -1.59 1.20 0.00 0.00 173.24 172.25 2aas s LYS 91 N -0.16 1.45 0.20 5.44 -2.85 -1.24 -4.76 119.74 117.82 2aas s LYS 91 Ca 0.18 -1.43 -0.30 0.00 -1.00 0.00 0.00 55.97 53.42 2aas s LYS 91 Cb -0.17 -1.86 -0.08 0.00 -2.06 0.00 0.00 37.83 33.65 2aas s LYS 91 CO -0.05 0.42 1.24 -0.47 0.10 0.00 0.00 175.35 176.59 2aas s TYR 92 N -1.35 3.35 -1.42 1.78 5.04 -1.26 -0.34 117.35 123.15 2aas s TYR 92 Ca 0.17 1.35 0.27 0.00 -2.44 0.00 0.00 57.07 56.42 2aas s TYR 92 Cb -0.09 -3.50 0.91 0.00 0.35 0.00 0.00 41.96 39.63 2aas s TYR 92 CO 0.08 -1.48 1.67 -0.35 -1.34 0.00 0.00 175.55 174.13 2aas n PRO 93 N 2.48 0.46 -1.61 4.97 -0.04 -1.26 -4.98 135.00 135.02 2aas n PRO 93 Ca 0.05 -0.21 -0.40 0.00 -0.04 0.00 0.00 63.50 62.90 2aas n PRO 93 Cb 0.44 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.09 7.52 -4.67 3.54 6.94 0.54 -4.93 115.26 123.10 2aas n ASN 94 Ca 0.11 -2.78 -0.42 0.00 -0.02 0.00 0.00 54.58 51.46 2aas n ASN 94 Cb 0.32 -1.53 -0.03 0.00 -2.36 0.00 0.00 39.78 36.18 2aas n ASN 94 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2aas s ALA 96 N 3.53 2.01 0.00 0.00 0.00 -1.26 -4.81 121.76 121.23 2aas s ALA 96 Ca 0.75 -0.96 0.07 0.00 0.00 0.00 0.00 51.96 51.82 2aas s ALA 96 Cb -0.36 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 2aas s ALA 96 CO 0.32 -0.15 -0.23 0.71 0.00 0.00 0.00 175.76 176.40 2aas s TYR 97 N 1.05 2.06 -0.43 0.00 1.51 -1.26 -0.86 117.35 119.42 2aas s TYR 97 Ca -0.03 -0.39 -0.24 0.00 -1.01 0.00 0.00 57.07 55.40 2aas s TYR 97 Cb -0.14 -1.29 0.02 0.00 -0.11 0.00 0.00 41.96 40.43 2aas s TYR 97 CO -0.05 0.01 0.84 0.21 -1.11 0.00 0.00 175.55 175.45 2aas s LYS 98 N -0.76 3.56 -0.26 -0.62 2.20 0.19 -4.59 119.74 119.47 2aas s LYS 98 Ca 0.09 0.13 -0.13 0.00 -0.36 0.00 0.00 55.97 55.70 2aas s LYS 98 Cb -0.09 -3.89 -0.04 0.00 -1.51 0.00 0.00 37.83 32.29 2aas s LYS 98 CO 0.00 -1.07 0.28 0.99 -0.36 0.00 0.00 175.35 175.19 2aas s THR 99 N 3.39 5.25 -0.30 3.43 2.01 -1.25 -1.23 115.64 126.95 2aas s THR 99 Ca 0.33 0.38 0.02 0.00 0.31 0.00 0.00 61.69 62.73 2aas s THR 99 Cb -0.12 -3.61 0.07 0.00 0.01 0.00 0.00 72.50 68.85 2aas s THR 99 CO 0.22 0.22 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.46 2aas s THR 100 N 1.76 2.48 -0.58 -0.82 2.01 -0.03 -4.82 115.64 115.65 2aas s THR 100 Ca 0.11 -1.77 -0.24 0.00 0.31 0.00 0.00 61.69 60.11 2aas s THR 100 Cb -0.15 -2.56 0.05 0.00 0.01 0.00 0.00 72.50 69.85 2aas s THR 100 CO 0.09 -0.23 0.94 -1.58 -0.69 0.00 0.00 174.62 173.15 2aas s GLN 101 N 1.09 3.27 0.04 4.92 2.00 -1.26 -0.63 119.66 129.09 2aas s GLN 101 Ca -0.02 -0.42 0.03 0.00 -2.00 0.00 0.00 55.36 52.95 2aas s GLN 101 Cb -0.20 -4.10 -0.02 0.00 0.80 0.00 0.00 33.01 29.49 2aas s GLN 101 CO -0.05 -1.56 -0.11 0.00 -0.50 0.00 0.00 175.29 173.08 2aas s ALA 102 N 3.94 0.86 -0.50 1.58 0.00 0.09 -5.02 121.76 122.70 2aas s ALA 102 Ca 0.28 -0.73 -0.13 0.00 0.00 0.00 0.00 51.96 51.38 2aas s ALA 102 Cb -0.14 -0.09 0.12 0.00 0.00 0.00 0.00 23.12 23.01 2aas s ALA 102 CO 0.17 0.12 0.41 -0.80 0.00 0.00 0.00 175.76 175.66 2aas s ASN 103 N -1.18 5.94 0.19 0.00 -0.87 -1.26 -0.56 114.94 117.21 2aas s ASN 103 Ca -0.03 -1.81 0.05 0.00 -1.57 0.00 0.00 52.86 49.50 2aas s ASN 103 Cb -0.08 -2.11 -0.05 0.00 -0.02 0.00 0.00 41.25 38.99 2aas s ASN 103 CO 0.01 -0.76 -0.07 -0.54 -2.57 0.00 0.00 177.10 173.17 2aas s LYS 104 N 1.49 1.23 0.41 -0.60 1.02 -0.79 -4.76 119.74 117.74 2aas s LYS 104 Ca 0.04 -1.58 -0.25 0.00 0.02 0.00 0.00 55.97 54.21 2aas s LYS 104 Cb -0.28 -0.71 -0.08 0.00 -0.52 0.00 0.00 37.83 36.24 2aas s LYS 104 CO 0.01 0.02 1.16 -1.01 -0.92 0.00 0.00 175.35 174.61 2aas s HIS 105 N -3.30 3.04 0.06 3.18 3.76 -1.26 -0.38 115.29 120.39 2aas s HIS 105 Ca 0.23 1.56 0.09 0.00 -0.15 0.00 0.00 55.06 56.78 2aas s HIS 105 Cb 0.03 -3.36 -0.03 0.00 1.11 0.00 0.00 32.58 30.33 2aas s HIS 105 CO 0.05 -1.30 -0.24 0.96 -0.85 0.00 0.00 174.74 173.37 2aas s ILE 106 N -1.47 2.38 -0.19 0.60 -4.36 -1.26 0.03 121.20 116.93 2aas s ILE 106 Ca 0.59 -1.39 -0.02 0.00 -0.26 0.00 0.00 60.65 59.57 2aas s ILE 106 Cb -0.29 -1.98 -0.00 0.00 1.25 0.00 0.00 42.46 41.44 2aas s ILE 106 CO 0.36 0.31 -0.09 -0.63 0.24 0.00 0.00 174.94 175.13 2aas s ILE 107 N -0.89 3.05 0.02 8.37 1.01 0.97 -1.85 121.20 131.88 2aas s ILE 107 Ca 0.13 -0.62 0.09 0.00 0.00 0.00 0.00 60.65 60.25 2aas s ILE 107 Cb -0.10 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 2aas s ILE 107 CO 0.04 0.47 -0.26 0.68 0.00 0.00 0.00 174.94 175.87 2aas s VAL 108 N 1.14 2.07 -0.23 2.92 -7.23 -0.42 -0.86 120.40 117.80 2aas s VAL 108 Ca 0.01 -1.26 -0.20 0.00 -1.81 0.00 0.00 61.98 58.72 2aas s VAL 108 Cb -0.14 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.02 2aas s VAL 108 CO -0.03 0.44 0.60 0.00 -0.31 0.00 0.00 175.10 175.80 2aas s ALA 109 N -0.72 3.58 0.04 1.32 0.00 0.69 -0.46 121.76 126.20 2aas s ALA 109 Ca 0.11 -0.39 0.09 0.00 0.00 0.00 0.00 51.96 51.76 2aas s ALA 109 Cb -0.10 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 2aas s ALA 109 CO 0.01 -0.65 -0.24 0.00 0.00 0.00 0.00 175.76 174.87 2aas s GLU 111 N -1.26 1.50 0.01 0.00 2.02 -0.32 -4.87 118.70 115.77 2aas s GLU 111 Ca 0.12 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.19 2aas s GLU 111 Cb -0.10 0.54 0.00 0.00 0.10 0.00 0.00 34.13 34.67 2aas s GLU 111 CO 0.03 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.06 2aas n GLY 112 N -0.38 -3.52 2.87 -1.39 0.00 -1.26 -0.31 105.19 101.20 2aas n GLY 112 Ca -0.08 -2.09 -0.11 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.29 0.64 0.56 1.61 2.47 -1.26 -3.75 114.94 113.92 2aas s ASN 113 Ca 0.00 -0.15 -0.18 0.00 0.42 0.00 0.00 52.86 52.95 2aas s ASN 113 Cb 0.00 0.94 -0.05 0.00 -1.45 0.00 0.00 41.25 40.68 2aas s ASN 113 CO 0.00 -0.33 1.08 -2.16 -3.72 0.00 0.00 177.10 171.96 2aas s PRO 114 N 2.49 3.42 0.17 0.43 0.04 -1.26 -5.08 135.00 135.20 2aas s PRO 114 Ca 0.11 1.38 -0.32 0.00 0.04 0.00 0.00 61.00 62.20 2aas s PRO 114 Cb -0.14 -2.04 -0.12 0.00 0.04 0.00 0.00 34.50 32.24 2aas s PRO 114 CO -0.22 -0.75 1.72 0.98 0.04 0.00 0.00 177.00 178.77 2aas n TYR 115 N -1.56 2.59 -4.63 0.56 9.36 -1.25 -5.01 117.16 117.22 2aas n TYR 115 Ca 0.10 0.05 -0.22 0.00 3.32 0.00 0.00 57.90 61.14 2aas n TYR 115 Cb 0.52 -2.66 -0.15 0.00 -0.63 0.00 0.00 39.34 36.43 2aas n TYR 115 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 2aas s VAL 116 N 1.58 1.14 -0.12 2.97 -7.23 0.58 -4.97 120.40 114.35 2aas s VAL 116 Ca 0.78 -0.65 -0.29 0.00 -1.81 0.00 0.00 61.98 60.00 2aas s VAL 116 Cb -0.55 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 2aas s VAL 116 CO 0.35 0.29 1.66 -2.16 -0.31 0.00 0.00 175.10 174.93 2aas s PRO 117 N -0.42 4.00 -0.18 4.82 0.04 -1.26 -1.18 135.00 140.81 2aas s PRO 117 Ca 0.05 1.98 0.12 0.00 0.04 0.00 0.00 61.00 63.20 2aas s PRO 117 Cb -0.06 -4.02 -0.23 0.00 0.04 0.00 0.00 34.50 30.24 2aas s PRO 117 CO -0.00 -1.06 0.12 1.33 0.04 0.00 0.00 177.00 177.43 2aas n VAL 118 N 5.91 1.47 -3.90 -0.36 0.24 0.12 -4.50 118.33 117.31 2aas n VAL 118 Ca 0.18 -0.78 -0.11 0.00 -2.04 0.00 0.00 64.34 61.60 2aas n VAL 118 Cb 0.44 -0.83 -0.12 0.00 -1.47 0.00 0.00 33.84 31.85 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 -2.52 0.07 -0.17 6.34 5.65 -0.97 -3.58 115.29 120.11 2aas s HIS 119 Ca -0.15 -0.13 -0.05 0.00 0.25 0.00 0.00 55.06 54.97 2aas s HIS 119 Cb 0.07 -0.06 -0.03 0.00 -1.18 0.00 0.00 32.58 31.37 2aas s HIS 119 CO 0.78 -0.13 0.01 0.12 -0.65 0.00 0.00 174.74 174.87 2aas s PHE 120 N -0.73 3.14 -0.00 3.88 2.19 -1.26 -0.22 117.98 124.97 2aas s PHE 120 Ca -0.08 -0.11 -0.00 0.00 0.33 0.00 0.00 56.93 57.06 2aas s PHE 120 Cb -0.05 -2.01 -0.00 0.00 -1.31 0.00 0.00 43.02 39.65 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 3.51 0.01 -3.76 6.13 2.03 -0.04 -4.96 116.55 119.48 2aas n ASP 121 Ca -0.17 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.01 2aas n ASP 121 Cb 0.52 -0.41 -0.09 0.00 -0.72 0.00 0.00 41.12 40.42 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 -2.82 -0.81 -0.23 -1.67 0.00 -1.19 -5.02 121.76 110.02 2aas s ALA 122 Ca -0.00 0.49 -0.07 0.00 0.00 0.00 0.00 51.96 52.37 2aas s ALA 122 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 2aas s ALA 122 CO 0.00 -0.24 0.07 -1.12 0.00 0.00 0.00 175.76 174.48 2aas s SER 123 N -0.97 5.33 0.00 0.00 0.01 -1.26 -0.02 113.70 116.78 2aas s SER 123 Ca -0.10 -0.10 0.19 0.00 1.31 0.00 0.00 55.95 57.25 2aas s SER 123 Cb -0.05 -1.94 0.15 0.00 0.21 0.00 0.00 66.02 64.40 2aas s SER 123 CO 0.03 0.04 1.11 1.33 0.41 0.00 0.00 173.24 176.16