#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 3.17 0.98 -1.58 2.12 -1.26 -4.98 118.70 117.15 2aas s GLU 2 Ca 0.00 -0.24 -0.12 0.00 0.36 0.00 0.00 54.97 54.97 2aas s GLU 2 Cb 0.00 -4.27 0.18 0.00 0.26 0.00 0.00 34.13 30.29 2aas s GLU 2 CO 0.00 -2.20 1.09 0.95 -0.54 0.00 0.00 175.26 174.56 2aas s THR 3 N 5.94 2.30 0.22 -1.70 -4.23 -1.26 -4.84 115.64 112.07 2aas s THR 3 Ca 0.38 0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 60.91 2aas s THR 3 Cb -0.08 -2.51 0.17 0.00 1.34 0.00 0.00 72.50 71.43 2aas s THR 3 CO 0.14 -0.13 1.76 0.00 -0.54 0.00 0.00 174.62 175.85 2aas h ALA 4 N -1.86 0.92 -0.66 3.99 0.00 -1.94 0.02 119.26 119.73 2aas h ALA 4 Ca -0.53 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2aas h ALA 4 Cb 1.31 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2aas h ALA 4 CO 0.55 -0.13 0.41 0.00 0.00 0.00 0.00 179.25 180.08 2aas h ALA 5 N 1.45 0.84 -0.79 0.00 0.00 -1.80 -1.87 119.26 117.09 2aas h ALA 5 Ca 0.35 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2aas h ALA 5 Cb 0.42 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2aas h ALA 5 CO -0.31 0.30 0.38 0.00 0.00 0.00 0.00 179.25 179.62 2aas h ALA 6 N 1.22 1.02 -0.58 0.00 0.00 -1.70 -2.25 119.26 116.97 2aas h ALA 6 Ca 0.24 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2aas h ALA 6 Cb -0.05 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 2aas h ALA 6 CO -0.05 0.59 0.33 -0.22 0.00 0.00 0.00 179.25 179.90 2aas h LYS 7 N 1.12 0.61 0.15 0.00 1.63 -0.46 0.90 116.57 120.52 2aas h LYS 7 Ca 0.27 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 60.05 2aas h LYS 7 Cb 0.12 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 2aas h LYS 7 CO -0.03 0.41 -0.28 0.35 -3.45 0.00 0.00 179.45 176.44 2aas h PHE 8 N 0.63 -0.75 -0.56 1.91 3.57 -1.14 0.34 116.94 120.94 2aas h PHE 8 Ca 0.25 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.85 2aas h PHE 8 Cb 0.10 0.31 -0.07 0.00 2.79 0.00 0.00 35.95 39.08 2aas h PHE 8 CO -0.08 -0.39 0.16 0.93 -2.23 0.00 0.00 178.31 176.71 2aas h GLU 9 N -0.51 0.31 -0.20 1.11 5.08 -0.79 0.25 114.58 119.82 2aas h GLU 9 Ca 0.02 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2aas h GLU 9 Cb 0.53 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2aas h GLU 9 CO -0.14 0.21 0.04 -0.09 -1.00 0.00 0.00 179.01 178.02 2aas h ARG 10 N 0.32 0.33 -0.04 2.33 1.12 -0.65 -2.05 114.38 115.75 2aas h ARG 10 Ca 0.28 -0.09 -0.19 0.00 -1.11 0.00 0.00 59.98 58.88 2aas h ARG 10 Cb 0.37 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.28 2aas h ARG 10 CO -0.32 0.47 -0.79 1.96 -3.11 0.00 0.00 179.97 178.19 2aas h GLN 11 N 0.14 0.30 0.00 0.20 4.20 -0.58 -3.44 115.11 115.93 2aas h GLN 11 Ca 0.06 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.44 2aas h GLN 11 Cb 0.30 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2aas h GLN 11 CO 0.00 0.94 -1.20 0.72 -0.67 0.00 0.00 178.83 178.63 2aas n HIS 12 N -3.77 0.00 -2.70 2.96 8.25 0.84 -4.39 115.22 116.42 2aas n HIS 12 Ca -0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.99 2aas n HIS 12 Cb 0.74 -0.13 -0.02 0.00 1.12 0.00 0.00 29.99 31.70 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 -2.07 4.31 -0.31 -0.41 -1.94 -0.77 0.30 119.30 118.40 2aas s MET 13 Ca -0.05 1.32 0.15 0.00 -1.71 0.00 0.00 55.69 55.40 2aas s MET 13 Cb 0.02 -3.61 0.47 0.00 2.01 0.00 0.00 34.83 33.72 2aas s MET 13 CO 0.07 -0.51 1.09 -0.25 -0.01 0.00 0.00 175.02 175.41 2aas n ASP 14 N 5.83 2.93 -0.08 3.03 9.92 -0.18 -4.90 116.55 133.11 2aas n ASP 14 Ca 0.10 -2.91 0.06 0.00 -0.53 0.00 0.00 54.79 51.52 2aas n ASP 14 Cb 0.47 -0.45 0.42 0.00 -0.64 0.00 0.00 41.12 40.92 2aas n ASP 14 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2aas h SER 15 N 2.58 0.51 -0.96 -2.24 0.87 -1.75 -0.60 113.55 111.96 2aas h SER 15 Ca 0.07 -0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.78 2aas h SER 15 Cb 1.26 -0.11 -0.08 0.00 -0.44 0.00 0.00 62.40 63.02 2aas h SER 15 CO 0.51 0.35 0.61 0.28 -0.53 0.00 0.00 176.83 178.05 2aas h SER 16 N 0.59 0.76 -3.35 6.23 0.02 -1.91 -3.42 113.55 112.48 2aas h SER 16 Ca 0.23 0.06 -0.65 0.00 -0.84 0.00 0.00 61.79 60.59 2aas h SER 16 Cb 0.17 -0.09 -0.20 0.00 0.14 0.00 0.00 62.40 62.42 2aas h SER 16 CO -0.06 0.36 -0.66 0.42 -1.14 0.00 0.00 176.83 175.75 2aas s THR 17 N -5.79 3.98 0.23 -2.27 -4.23 -0.23 -5.03 115.64 102.29 2aas s THR 17 Ca -0.11 -0.34 0.06 0.00 -1.18 0.00 0.00 61.69 60.13 2aas s THR 17 Cb 0.23 -2.72 -0.07 0.00 1.34 0.00 0.00 72.50 71.27 2aas s THR 17 CO 0.80 0.52 1.52 0.28 -0.54 0.00 0.00 174.62 177.20 2aas h SER 18 N 6.32 0.16 -5.00 3.99 0.02 -1.80 -3.44 113.55 113.80 2aas h SER 18 Ca -0.36 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.43 2aas h SER 18 Cb 1.19 -0.05 -0.17 0.00 0.14 0.00 0.00 62.40 63.51 2aas h SER 18 CO 0.61 0.80 0.17 0.00 -1.14 0.00 0.00 176.83 177.28 2aas s ALA 19 N -3.52 -1.68 0.17 3.77 0.00 -1.26 -4.79 121.76 114.45 2aas s ALA 19 Ca -0.02 1.07 -0.31 0.00 0.00 0.00 0.00 51.96 52.69 2aas s ALA 19 Cb 0.12 0.23 -0.09 0.00 0.00 0.00 0.00 23.12 23.37 2aas s ALA 19 CO 0.79 -0.47 1.48 0.00 0.00 0.00 0.00 175.76 177.57 2aas s ALA 20 N -1.85 3.68 0.22 0.00 0.00 -1.26 -4.96 121.76 117.59 2aas s ALA 20 Ca -0.08 1.28 -0.08 0.00 0.00 0.00 0.00 51.96 53.08 2aas s ALA 20 Cb -0.00 -3.58 0.27 0.00 0.00 0.00 0.00 23.12 19.81 2aas s ALA 20 CO 0.04 -0.71 1.82 0.66 0.00 0.00 0.00 175.76 177.57 2aas h SER 21 N 6.30 0.65 0.00 0.00 4.64 -1.98 -3.44 113.55 119.72 2aas h SER 21 Ca -0.43 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2aas h SER 21 Cb 1.21 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2aas h SER 21 CO 0.86 0.42 0.00 -0.24 -0.87 0.00 0.00 176.83 177.00 2aas n SER 22 N -4.73 0.00 0.15 4.97 2.88 -1.26 -5.01 113.62 110.62 2aas n SER 22 Ca 0.10 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.72 2aas n SER 22 Cb 0.17 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 64.10 2aas n SER 22 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2aas n SER 23 N 0.00 0.45 0.09 -3.46 2.88 -1.23 -2.11 113.62 110.23 2aas n SER 23 Ca 0.00 0.68 -0.09 0.00 -1.33 0.00 0.00 58.87 58.13 2aas n SER 23 Cb 0.00 -0.71 -0.04 0.00 -0.75 0.00 0.00 64.21 62.71 2aas n SER 23 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2aas h ASN 24 N 0.00 0.19 0.10 -3.46 -1.07 -1.85 -3.33 115.58 106.16 2aas h ASN 24 Ca 0.00 -0.17 0.00 0.00 0.07 0.00 0.00 56.30 56.20 2aas h ASN 24 Cb 0.18 -0.06 -0.02 0.00 -2.07 0.00 0.00 38.32 36.34 2aas h ASN 24 CO 0.00 1.03 -0.30 0.22 0.07 0.00 0.00 177.43 178.45 2aas h TYR 25 N 0.07 -0.87 -0.07 4.14 3.20 -1.78 -3.02 116.97 118.63 2aas h TYR 25 Ca -0.05 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.87 2aas h TYR 25 Cb 1.61 0.36 -0.00 0.00 1.54 0.00 0.00 36.73 40.24 2aas h TYR 25 CO 0.02 -0.35 0.06 0.00 -1.64 0.00 0.00 178.16 176.25 2aas h ASN 27 N 0.00 0.13 0.03 0.00 4.21 -1.75 -0.37 115.58 117.83 2aas h ASN 27 Ca 0.03 0.14 -0.34 0.00 1.21 0.00 0.00 56.30 57.34 2aas h ASN 27 Cb 0.15 0.16 -0.04 0.00 -1.12 0.00 0.00 38.32 37.46 2aas h ASN 27 CO -0.00 0.01 -1.88 0.00 -1.29 0.00 0.00 177.43 174.27 2aas n GLN 28 N -5.10 0.63 -0.21 0.81 3.00 -1.09 -4.28 117.38 111.14 2aas n GLN 28 Ca 0.15 0.37 -0.03 0.00 -0.01 0.00 0.00 57.00 57.49 2aas n GLN 28 Cb 0.47 -1.66 0.08 0.00 0.00 0.00 0.00 30.24 29.13 2aas n GLN 28 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.06 179.04 2aas h MET 29 N -0.59 0.64 -0.81 -1.09 4.05 -1.14 -2.21 114.93 113.77 2aas h MET 29 Ca -0.47 -0.04 0.07 0.00 -0.28 0.00 0.00 59.70 58.98 2aas h MET 29 Cb 1.64 -0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 32.24 2aas h MET 29 CO -0.16 0.42 0.53 0.52 0.23 0.00 0.00 176.91 178.45 2aas h MET 30 N 0.66 0.84 -0.40 0.39 2.86 -1.32 -2.40 114.93 115.56 2aas h MET 30 Ca 0.27 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 2aas h MET 30 Cb 0.13 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 2aas h MET 30 CO -0.15 0.56 0.20 0.87 1.06 0.00 0.00 176.91 179.44 2aas h LYS 31 N 0.87 0.57 -0.39 1.72 1.57 -1.62 -2.53 116.57 116.76 2aas h LYS 31 Ca 0.35 -0.08 0.09 0.00 -1.87 0.00 0.00 60.65 59.14 2aas h LYS 31 Cb 0.26 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2aas h LYS 31 CO -0.13 0.49 0.27 1.03 -0.57 0.00 0.00 179.45 180.55 2aas h SER 32 N 0.51 0.11 -0.31 0.86 0.87 -1.39 -0.74 113.55 113.46 2aas h SER 32 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2aas h SER 32 Cb 0.11 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2aas h SER 32 CO -0.02 0.07 0.00 0.54 -0.53 0.00 0.00 176.83 176.89 2aas n ARG 33 N -4.45 2.89 -0.72 2.24 5.12 -0.97 -4.92 116.66 115.84 2aas n ARG 33 Ca 0.06 -1.61 0.00 0.00 -1.93 0.00 0.00 57.85 54.37 2aas n ARG 33 Cb 0.38 -1.82 0.00 0.00 -1.16 0.00 0.00 32.46 29.86 2aas n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2aas n ASN 34 N 0.37 -2.37 -0.24 0.55 3.02 -0.28 -4.83 115.26 111.47 2aas n ASN 34 Ca 0.14 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.71 2aas n ASN 34 Cb 0.69 -2.77 0.25 0.00 -0.61 0.00 0.00 39.78 37.34 2aas n ASN 34 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2aas h LEU 35 N 0.00 0.86 -2.20 3.41 3.38 -1.68 -2.17 115.31 116.90 2aas h LEU 35 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2aas h LEU 35 Cb 0.39 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2aas h LEU 35 CO 0.00 0.60 0.00 0.35 0.09 0.00 0.00 178.44 179.48 2aas n THR 36 N -4.44 0.44 1.32 0.22 -2.24 -1.26 -4.49 114.28 103.82 2aas n THR 36 Ca 0.10 -0.70 0.11 0.00 -2.27 0.00 0.00 64.05 61.29 2aas n THR 36 Cb 0.10 0.99 0.64 0.00 -2.10 0.00 0.00 70.33 69.95 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 1.40 0.63 0.00 -0.78 4.01 -0.82 -3.06 118.16 119.55 2aas n LYS 37 Ca 0.19 0.01 -0.02 0.00 -0.51 0.00 0.00 58.31 57.98 2aas n LYS 37 Cb 0.59 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.60 2aas n LYS 37 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2aas n ASP 38 N -1.05 0.47 -3.85 4.39 8.00 -1.26 -5.06 116.55 118.18 2aas n ASP 38 Ca 0.15 0.07 -0.09 0.00 0.71 0.00 0.00 54.79 55.63 2aas n ASP 38 Cb 0.09 -0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 40.97 2aas n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aas s ARG 39 N -2.05 1.09 -0.50 -1.24 1.70 -1.17 -5.10 118.95 111.69 2aas s ARG 39 Ca -0.03 -1.01 -0.27 0.00 -0.47 0.00 0.00 55.73 53.96 2aas s ARG 39 Cb 0.01 0.40 -0.05 0.00 -0.57 0.00 0.00 34.95 34.75 2aas s ARG 39 CO 0.04 -0.41 2.14 0.00 -1.08 0.00 0.00 175.30 175.99 2aas s LYS 41 N 7.43 4.17 0.26 0.00 2.20 -1.26 -4.91 119.74 127.63 2aas s LYS 41 Ca 0.85 2.37 -0.02 0.00 -0.36 0.00 0.00 55.97 58.81 2aas s LYS 41 Cb -0.17 -4.05 0.55 0.00 -1.51 0.00 0.00 37.83 32.65 2aas s LYS 41 CO 0.25 -0.89 1.70 -1.35 -0.36 0.00 0.00 175.35 174.71 2aas h PRO 42 N 9.94 0.35 -3.00 4.03 0.11 -1.95 -3.43 132.00 138.05 2aas h PRO 42 Ca -0.44 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.49 2aas h PRO 42 Cb 1.20 -0.08 -0.27 0.00 0.11 0.00 0.00 31.00 31.97 2aas h PRO 42 CO 0.95 0.23 -0.41 0.54 -0.21 0.00 0.00 178.00 179.10 2aas s VAL 43 N -5.99 -0.02 0.13 3.15 0.11 -1.26 -0.23 120.40 116.30 2aas s VAL 43 Ca -0.12 0.06 -0.18 0.00 -2.93 0.00 0.00 61.98 58.81 2aas s VAL 43 Cb 0.22 -0.41 0.04 0.00 -1.53 0.00 0.00 36.38 34.70 2aas s VAL 43 CO 0.77 0.02 0.45 0.21 -3.33 0.00 0.00 175.10 173.21 2aas s ASN 44 N 0.63 -0.30 -0.07 3.54 2.47 0.07 -5.02 114.94 116.24 2aas s ASN 44 Ca -0.04 -0.26 0.01 0.00 0.42 0.00 0.00 52.86 53.00 2aas s ASN 44 Cb -0.05 0.50 0.02 0.00 -1.45 0.00 0.00 41.25 40.27 2aas s ASN 44 CO -0.04 -0.88 -0.10 -0.89 -3.72 0.00 0.00 177.10 171.47 2aas s THR 45 N -3.79 1.02 0.20 -5.21 2.01 -1.26 0.02 115.64 108.62 2aas s THR 45 Ca 0.03 -0.38 -0.05 0.00 0.31 0.00 0.00 61.69 61.60 2aas s THR 45 Cb 0.01 -0.97 -0.06 0.00 0.01 0.00 0.00 72.50 71.50 2aas s THR 45 CO -0.12 0.34 0.45 -0.36 -0.69 0.00 0.00 174.62 174.24 2aas s PHE 46 N 0.97 3.46 -0.27 4.92 0.08 0.90 -4.18 117.98 123.87 2aas s PHE 46 Ca -0.09 0.62 0.00 0.00 0.12 0.00 0.00 56.93 57.58 2aas s PHE 46 Cb -0.15 -2.06 0.08 0.00 -0.57 0.00 0.00 43.02 40.32 2aas s PHE 46 CO 0.00 0.34 0.03 0.08 -0.10 0.00 0.00 175.22 175.57 2aas s VAL 47 N -1.81 1.26 -1.01 -0.44 1.01 0.15 0.43 120.40 119.99 2aas s VAL 47 Ca 0.43 -1.36 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 2aas s VAL 47 Cb -0.11 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2aas s VAL 47 CO 0.25 -0.40 2.90 1.41 0.00 0.00 0.00 175.10 179.26 2aas n HIS 48 N 4.72 1.84 -4.18 5.22 8.25 0.29 -1.01 115.22 130.37 2aas n HIS 48 Ca -0.05 -2.49 -0.13 0.00 -0.26 0.00 0.00 57.72 54.78 2aas n HIS 48 Cb 0.43 -1.93 -0.10 0.00 1.12 0.00 0.00 29.99 29.51 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 0.27 0.85 0.81 -0.41 0.41 -1.26 -4.57 118.70 114.80 2aas s GLU 49 Ca 0.63 -1.24 -0.12 0.00 -0.41 0.00 0.00 54.97 53.83 2aas s GLU 49 Cb 0.24 -0.41 0.08 0.00 -1.78 0.00 0.00 34.13 32.27 2aas s GLU 49 CO -0.09 0.04 1.16 -1.54 -0.49 0.00 0.00 175.26 174.35 2aas s SER 50 N -2.71 3.75 0.23 -0.19 1.04 -1.26 -3.51 113.70 111.05 2aas s SER 50 Ca 0.08 2.20 -0.07 0.00 0.48 0.00 0.00 55.95 58.64 2aas s SER 50 Cb 0.00 -2.57 0.28 0.00 0.10 0.00 0.00 66.02 63.83 2aas s SER 50 CO -0.02 -2.55 1.85 0.25 0.98 0.00 0.00 173.24 173.75 2aas h LEU 51 N -1.05 0.77 -0.69 2.42 5.85 -1.99 -2.44 115.31 118.17 2aas h LEU 51 Ca -0.45 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.42 2aas h LEU 51 Cb 1.27 -0.15 -0.10 0.00 0.37 0.00 0.00 40.66 42.05 2aas h LEU 51 CO 0.47 0.51 0.17 0.00 -0.34 0.00 0.00 178.44 179.24 2aas h ALA 52 N 1.37 0.87 -0.82 1.25 0.00 -1.99 0.27 119.26 120.22 2aas h ALA 52 Ca 0.34 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 2aas h ALA 52 Cb 0.12 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2aas h ALA 52 CO -0.15 -0.31 0.36 -0.44 0.00 0.00 0.00 179.25 178.70 2aas h ASP 53 N 0.28 1.10 0.98 0.00 3.32 -1.83 -2.14 116.42 118.12 2aas h ASP 53 Ca 0.38 -0.15 -0.21 0.00 0.02 0.00 0.00 57.03 57.07 2aas h ASP 53 Cb 0.61 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 2aas h ASP 53 CO -0.47 0.94 -1.05 0.58 -1.72 0.00 0.00 179.24 177.53 2aas h VAL 54 N 1.18 1.45 -0.52 -1.35 2.07 -0.91 -3.09 116.25 115.08 2aas h VAL 54 Ca 0.28 -3.13 0.04 0.00 0.82 0.00 0.00 66.70 64.71 2aas h VAL 54 Cb 0.16 2.71 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 2aas h VAL 54 CO -0.03 0.83 0.35 1.56 0.02 0.00 0.00 177.57 180.30 2aas h GLN 55 N 0.00 0.53 0.00 1.57 4.20 -0.33 -0.93 115.11 120.15 2aas h GLN 55 Ca -0.05 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2aas h GLN 55 Cb 1.75 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 29.41 2aas h GLN 55 CO 0.11 0.35 0.01 0.00 -0.67 0.00 0.00 178.83 178.63 2aas h ALA 56 N 1.71 1.01 0.00 3.87 0.00 -1.30 -1.85 119.26 122.69 2aas h ALA 56 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.89 2aas h ALA 56 Cb 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2aas h ALA 56 CO -0.06 -0.01 -1.24 0.28 0.00 0.00 0.00 179.25 178.22 2aas h VAL 57 N 0.00 1.33 0.00 0.00 2.07 -1.26 -3.31 116.25 115.08 2aas h VAL 57 Ca 0.00 -3.07 -0.00 0.00 0.82 0.00 0.00 66.70 64.45 2aas h VAL 57 Cb 0.01 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.43 2aas h VAL 57 CO 0.00 0.76 -0.02 0.00 0.02 0.00 0.00 177.57 178.33 2aas n SER 59 N -3.35 5.06 0.00 0.00 3.41 -1.24 -4.94 113.62 112.56 2aas n SER 59 Ca -0.02 -2.83 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 2aas n SER 59 Cb 0.13 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 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 0.47 3.33 -2.53 4.33 6.02 -0.48 -5.07 117.38 123.45 2aas n GLN 60 Ca 0.26 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.82 2aas n GLN 60 Cb 1.05 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 32.28 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 2.36 4.45 0.23 -1.09 -0.14 -1.22 -4.82 119.74 119.51 2aas s LYS 61 Ca 0.00 1.63 -0.30 0.00 -1.36 0.00 0.00 55.97 55.94 2aas s LYS 61 Cb 0.00 -3.44 -0.09 0.00 -1.68 0.00 0.00 37.83 32.62 2aas s LYS 61 CO 0.00 -0.25 1.18 1.21 -0.76 0.00 0.00 175.35 176.74 2aas s ASN 62 N 1.14 7.10 0.27 2.83 3.84 -1.26 -1.10 114.94 127.76 2aas s ASN 62 Ca 0.56 2.30 0.03 0.00 0.21 0.00 0.00 52.86 55.95 2aas s ASN 62 Cb -0.25 -2.62 -0.04 0.00 -0.55 0.00 0.00 41.25 37.79 2aas s ASN 62 CO 0.26 -0.33 0.18 0.68 -2.79 0.00 0.00 177.10 175.11 2aas s VAL 63 N -0.47 0.09 -0.06 -5.21 -7.23 0.18 -4.93 120.40 102.77 2aas s VAL 63 Ca 0.50 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.63 2aas s VAL 63 Cb -0.33 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 2aas s VAL 63 CO 0.40 0.00 0.12 0.00 -0.31 0.00 0.00 175.10 175.31 2aas s ALA 64 N -3.79 3.77 0.51 1.32 0.00 -1.26 -2.14 121.76 120.17 2aas s ALA 64 Ca 0.39 -0.75 -0.19 0.00 0.00 0.00 0.00 51.96 51.41 2aas s ALA 64 Cb 0.05 -1.80 -0.07 0.00 0.00 0.00 0.00 23.12 21.30 2aas s ALA 64 CO 0.18 0.67 1.04 0.00 0.00 0.00 0.00 175.76 177.65 2aas h LYS 66 N 1.30 0.17 0.00 0.00 1.79 -1.94 0.23 116.57 118.12 2aas h LYS 66 Ca -0.49 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 57.96 2aas h LYS 66 Cb 1.22 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2aas h LYS 66 CO 0.59 0.11 -0.04 -2.95 -1.08 0.00 0.00 179.45 176.08 2aas h ASN 67 N 0.17 0.00 0.00 0.86 -1.07 -2.02 -3.47 115.58 110.05 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 1.86 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.11 2aas h ASN 67 CO -0.69 0.04 0.00 0.61 0.07 0.00 0.00 177.43 177.46 2aas n GLY 68 N 0.24 1.36 3.68 9.14 0.00 0.80 -5.10 105.19 115.32 2aas n GLY 68 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.03 4.24 0.00 1.61 0.74 -1.23 -4.71 119.66 120.27 2aas s GLN 69 Ca 0.00 2.10 0.18 0.00 0.05 0.00 0.00 55.36 57.68 2aas s GLN 69 Cb 0.00 -3.64 0.78 0.00 1.10 0.00 0.00 33.01 31.25 2aas s GLN 69 CO 0.00 -0.66 1.57 0.25 -0.55 0.00 0.00 175.29 175.89 2aas n THR 70 N 4.81 0.73 -3.49 -0.34 -2.24 -1.26 -0.04 114.28 112.44 2aas n THR 70 Ca 0.14 0.18 -0.40 0.00 -2.27 0.00 0.00 64.05 61.70 2aas n THR 70 Cb 0.43 -0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 67.74 2aas n THR 70 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2aas s ASN 71 N -2.93 6.64 0.10 3.42 4.22 -1.26 -4.54 114.94 120.59 2aas s ASN 71 Ca 0.10 -3.66 0.03 0.00 -2.14 0.00 0.00 52.86 47.19 2aas s ASN 71 Cb 0.12 -2.05 -0.04 0.00 1.28 0.00 0.00 41.25 40.55 2aas s ASN 71 CO 0.32 -0.23 -0.09 0.00 -2.04 0.00 0.00 177.10 175.05 2aas s TYR 73 N -2.76 0.29 0.05 0.00 2.02 0.61 -0.65 117.35 116.92 2aas s TYR 73 Ca 0.08 -0.27 0.06 0.00 -0.37 0.00 0.00 57.07 56.57 2aas s TYR 73 Cb -0.01 -0.19 -0.03 0.00 -0.40 0.00 0.00 41.96 41.33 2aas s TYR 73 CO -0.01 -0.07 -0.13 -1.14 -1.57 0.00 0.00 175.55 172.63 2aas s GLN 74 N -0.75 2.22 0.34 -0.62 0.74 -0.26 -1.46 119.66 119.86 2aas s GLN 74 Ca -0.06 -0.92 -0.15 0.00 0.05 0.00 0.00 55.36 54.28 2aas s GLN 74 Cb -0.05 -2.31 -0.09 0.00 1.10 0.00 0.00 33.01 31.67 2aas s GLN 74 CO -0.00 0.55 0.76 -1.54 -0.55 0.00 0.00 175.29 174.50 2aas s SER 75 N -1.65 6.74 0.00 6.67 1.04 -0.72 -3.42 113.70 122.36 2aas s SER 75 Ca 0.17 1.28 0.27 0.00 0.48 0.00 0.00 55.95 58.15 2aas s SER 75 Cb -0.11 -2.37 0.76 0.00 0.10 0.00 0.00 66.02 64.40 2aas s SER 75 CO 0.08 -0.25 1.57 -1.22 0.98 0.00 0.00 173.24 174.40 2aas n TYR 76 N -0.55 0.00 -4.25 5.02 4.01 -1.26 -4.59 117.16 115.53 2aas n TYR 76 Ca 0.04 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.62 2aas n TYR 76 Cb 0.53 -0.04 -0.09 0.00 -0.31 0.00 0.00 39.34 39.43 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 -2.19 0.93 0.16 7.72 1.04 -1.26 -5.08 113.70 115.01 2aas s SER 77 Ca 0.31 -1.56 -0.26 0.00 0.48 0.00 0.00 55.95 54.92 2aas s SER 77 Cb 0.20 0.45 -0.08 0.00 0.10 0.00 0.00 66.02 66.70 2aas s SER 77 CO 0.41 -0.94 0.81 0.42 0.98 0.00 0.00 173.24 174.92 2aas s THR 78 N -3.81 4.37 0.11 2.02 -4.23 -1.26 -4.39 115.64 108.45 2aas s THR 78 Ca 0.39 1.78 0.09 0.00 -1.18 0.00 0.00 61.69 62.78 2aas s THR 78 Cb 0.05 -4.18 -0.04 0.00 1.34 0.00 0.00 72.50 69.67 2aas s THR 78 CO 0.19 0.49 -0.24 -0.04 -0.54 0.00 0.00 174.62 174.48 2aas s MET 79 N -0.96 1.28 -0.40 3.99 -1.94 0.61 -4.81 119.30 117.06 2aas s MET 79 Ca 0.38 -1.23 -0.28 0.00 -1.71 0.00 0.00 55.69 52.85 2aas s MET 79 Cb -0.23 -1.63 -0.01 0.00 2.01 0.00 0.00 34.83 34.97 2aas s MET 79 CO 0.27 0.39 1.68 0.45 -0.01 0.00 0.00 175.02 177.80 2aas s SER 80 N -1.91 5.95 0.05 3.03 0.15 -1.26 -2.12 113.70 117.59 2aas s SER 80 Ca 0.10 1.01 0.08 0.00 0.70 0.00 0.00 55.95 57.84 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 -1.71 -0.22 0.27 1.20 0.00 0.00 173.24 172.82 2aas s ILE 81 N 6.71 1.81 -0.45 6.45 -5.25 0.69 -0.54 121.20 130.62 2aas s ILE 81 Ca 0.72 -1.27 0.03 0.00 -0.99 0.00 0.00 60.65 59.14 2aas s ILE 81 Cb -0.18 -1.57 0.12 0.00 2.95 0.00 0.00 42.46 43.78 2aas s ILE 81 CO 0.31 0.24 0.18 -0.89 -1.79 0.00 0.00 174.94 173.00 2aas s THR 82 N -0.81 2.61 -0.17 8.37 2.01 0.17 -0.33 115.64 127.48 2aas s THR 82 Ca 0.09 -2.80 -0.27 0.00 0.31 0.00 0.00 61.69 59.02 2aas s THR 82 Cb -0.09 -2.84 -0.01 0.00 0.01 0.00 0.00 72.50 69.57 2aas s THR 82 CO 0.02 -0.72 0.91 -0.62 -0.69 0.00 0.00 174.62 173.53 2aas s ASP 83 N 0.44 7.04 -0.23 3.53 -1.08 -0.04 -0.07 116.67 126.27 2aas s ASP 83 Ca 0.14 1.29 0.01 0.00 -0.52 0.00 0.00 52.55 53.46 2aas s ASP 83 Cb -0.22 -2.49 0.06 0.00 -1.46 0.00 0.00 42.92 38.80 2aas s ASP 83 CO -0.04 -0.47 -0.07 0.00 0.52 0.00 0.00 175.17 175.11 2aas s ARG 85 N 1.38 2.14 0.38 0.00 0.52 -0.44 -0.75 118.95 122.18 2aas s ARG 85 Ca -0.05 -0.80 -0.28 0.00 -0.52 0.00 0.00 55.73 54.08 2aas s ARG 85 Cb -0.18 -1.89 -0.11 0.00 0.52 0.00 0.00 34.95 33.29 2aas s ARG 85 CO -0.07 0.38 1.48 -1.91 0.02 0.00 0.00 175.30 175.20 2aas n GLU 86 N 2.87 2.65 -3.11 3.54 4.07 0.68 0.49 120.64 131.84 2aas n GLU 86 Ca -0.17 0.93 -0.26 0.00 -0.06 0.00 0.00 57.16 57.60 2aas n GLU 86 Cb 0.52 -2.65 -0.01 0.00 -0.06 0.00 0.00 31.44 29.24 2aas n GLU 86 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2aas s THR 87 N -1.12 5.02 0.51 6.31 -4.23 -0.25 -4.71 115.64 117.18 2aas s THR 87 Ca 0.53 -0.16 0.16 0.00 -1.18 0.00 0.00 61.69 61.04 2aas s THR 87 Cb -0.48 -3.85 0.27 0.00 1.34 0.00 0.00 72.50 69.78 2aas s THR 87 CO 0.64 -0.63 2.14 1.23 -0.54 0.00 0.00 174.62 177.46 2aas h GLY 88 N 0.68 0.02 -4.20 3.99 0.00 -1.96 -3.09 103.07 98.51 2aas h GLY 88 Ca -0.49 -0.01 -0.56 0.00 0.00 0.00 0.00 47.33 46.28 2aas h GLY 88 CO 0.62 0.01 0.67 -1.14 0.00 0.00 0.00 176.54 176.70 2aas n SER 89 N -4.53 7.04 -4.56 0.19 3.41 -1.26 -4.92 113.62 108.99 2aas n SER 89 Ca -0.03 -3.46 -0.41 0.00 -0.26 0.00 0.00 58.87 54.71 2aas n SER 89 Cb 0.09 -1.08 -0.09 0.00 -0.26 0.00 0.00 64.21 62.87 2aas n SER 89 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2aas s SER 90 N -0.59 6.25 0.08 4.04 1.04 -1.17 -4.43 113.70 118.92 2aas s SER 90 Ca 0.52 -0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.90 2aas s SER 90 Cb 0.39 -2.23 -0.04 0.00 0.10 0.00 0.00 66.02 64.24 2aas s SER 90 CO -0.15 -0.38 0.13 -0.75 0.98 0.00 0.00 173.24 173.08 2aas s LYS 91 N 2.19 3.08 -0.14 4.02 2.20 -1.17 -4.88 119.74 125.04 2aas s LYS 91 Ca 0.15 -0.62 -0.20 0.00 -0.36 0.00 0.00 55.97 54.94 2aas s LYS 91 Cb -0.16 -2.83 -0.04 0.00 -1.51 0.00 0.00 37.83 33.30 2aas s LYS 91 CO 0.12 0.57 0.55 -0.47 -0.36 0.00 0.00 175.35 175.76 2aas s TYR 92 N -1.47 3.47 -2.26 4.03 5.04 -1.26 -0.85 117.35 124.06 2aas s TYR 92 Ca 0.31 0.94 0.20 0.00 -2.44 0.00 0.00 57.07 56.08 2aas s TYR 92 Cb -0.12 -2.66 0.61 0.00 0.35 0.00 0.00 41.96 40.13 2aas s TYR 92 CO 0.24 0.04 1.47 -0.35 -1.34 0.00 0.00 175.55 175.61 2aas n PRO 93 N 4.15 1.93 -2.55 4.97 -0.04 -1.26 -5.00 135.00 137.20 2aas n PRO 93 Ca -0.05 -1.41 -0.43 0.00 -0.04 0.00 0.00 63.50 61.58 2aas n PRO 93 Cb 0.51 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 0.63 5.12 -4.85 3.54 6.94 -0.03 -4.88 115.26 121.72 2aas n ASN 94 Ca 0.16 -3.06 -0.32 0.00 -0.02 0.00 0.00 54.58 51.35 2aas n ASN 94 Cb 0.39 -1.52 -0.03 0.00 -2.36 0.00 0.00 39.78 36.26 2aas n ASN 94 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2aas s ALA 96 N -2.63 1.75 0.05 0.00 0.00 -1.26 -4.48 121.76 115.19 2aas s ALA 96 Ca 0.57 -0.79 0.09 0.00 0.00 0.00 0.00 51.96 51.82 2aas s ALA 96 Cb -0.10 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 2aas s ALA 96 CO 0.34 -0.18 -0.23 0.71 0.00 0.00 0.00 175.76 176.39 2aas s TYR 97 N 1.16 2.41 -0.95 0.00 2.02 -1.26 -1.09 117.35 119.64 2aas s TYR 97 Ca -0.03 -0.35 -0.24 0.00 -0.37 0.00 0.00 57.07 56.08 2aas s TYR 97 Cb -0.14 -1.40 0.05 0.00 -0.40 0.00 0.00 41.96 40.07 2aas s TYR 97 CO -0.05 0.19 1.38 0.15 -1.57 0.00 0.00 175.55 175.66 2aas s LYS 98 N -1.39 3.49 -0.27 -0.62 1.02 0.18 -4.73 119.74 117.42 2aas s LYS 98 Ca 0.13 -0.96 -0.12 0.00 0.02 0.00 0.00 55.97 55.04 2aas s LYS 98 Cb -0.10 -5.05 -0.05 0.00 -0.52 0.00 0.00 37.83 32.11 2aas s LYS 98 CO 0.04 -2.16 0.24 0.99 -0.92 0.00 0.00 175.35 173.53 2aas s THR 99 N 4.98 5.28 -0.15 2.17 2.01 -1.25 -1.32 115.64 127.35 2aas s THR 99 Ca 0.42 0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.72 2aas s THR 99 Cb -0.02 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.92 2aas s THR 99 CO -0.04 0.24 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.03 2aas s THR 100 N 1.75 2.15 -0.31 -0.82 2.01 0.30 -3.54 115.64 117.18 2aas s THR 100 Ca 0.09 -0.94 -0.22 0.00 0.31 0.00 0.00 61.69 60.94 2aas s THR 100 Cb -0.16 -1.87 -0.00 0.00 0.01 0.00 0.00 72.50 70.48 2aas s THR 100 CO 0.10 0.54 0.70 -1.58 -0.69 0.00 0.00 174.62 173.69 2aas s GLN 101 N 0.93 3.91 0.02 4.92 2.00 -1.26 -0.86 119.66 129.32 2aas s GLN 101 Ca -0.04 0.40 0.00 0.00 -2.00 0.00 0.00 55.36 53.72 2aas s GLN 101 Cb -0.15 -3.73 -0.02 0.00 0.80 0.00 0.00 33.01 29.91 2aas s GLN 101 CO -0.04 -0.63 -0.03 0.00 -0.50 0.00 0.00 175.29 174.09 2aas s ALA 102 N 2.77 0.12 -0.49 1.58 0.00 0.55 -5.02 121.76 121.29 2aas s ALA 102 Ca 0.28 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.62 2aas s ALA 102 Cb -0.14 0.13 0.13 0.00 0.00 0.00 0.00 23.12 23.23 2aas s ALA 102 CO 0.12 -0.14 0.34 -0.80 0.00 0.00 0.00 175.76 175.28 2aas s ASN 103 N -1.34 5.60 0.21 0.00 -0.87 -1.26 -0.22 114.94 117.06 2aas s ASN 103 Ca -0.14 -2.07 0.06 0.00 -1.57 0.00 0.00 52.86 49.14 2aas s ASN 103 Cb -0.09 -1.96 -0.05 0.00 -0.02 0.00 0.00 41.25 39.13 2aas s ASN 103 CO -0.01 -0.62 -0.08 -0.54 -2.57 0.00 0.00 177.10 173.27 2aas s LYS 104 N 1.12 1.30 0.60 -0.60 -0.14 -0.90 -4.77 119.74 116.35 2aas s LYS 104 Ca 0.08 -1.61 -0.17 0.00 -1.36 0.00 0.00 55.97 52.91 2aas s LYS 104 Cb -0.24 -0.86 -0.03 0.00 -1.68 0.00 0.00 37.83 35.01 2aas s LYS 104 CO -0.02 0.06 1.11 -1.01 -0.76 0.00 0.00 175.35 174.72 2aas s HIS 105 N -3.19 2.70 0.04 3.18 3.76 -1.26 -0.28 115.29 120.24 2aas s HIS 105 Ca 0.24 1.54 0.07 0.00 -0.15 0.00 0.00 55.06 56.76 2aas s HIS 105 Cb 0.03 -3.19 -0.02 0.00 1.11 0.00 0.00 32.58 30.50 2aas s HIS 105 CO 0.06 -1.53 -0.19 0.96 -0.85 0.00 0.00 174.74 173.20 2aas s ILE 106 N -2.12 1.52 -0.20 0.60 -4.36 -1.26 -0.68 121.20 114.68 2aas s ILE 106 Ca 0.69 -1.16 -0.02 0.00 -0.26 0.00 0.00 60.65 59.90 2aas s ILE 106 Cb -0.21 -1.33 -0.00 0.00 1.25 0.00 0.00 42.46 42.17 2aas s ILE 106 CO 0.34 0.14 -0.09 -0.63 0.24 0.00 0.00 174.94 174.95 2aas s ILE 107 N -0.82 3.02 0.03 8.37 1.01 -0.03 -1.76 121.20 131.03 2aas s ILE 107 Ca 0.06 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 60.17 2aas s ILE 107 Cb -0.09 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 2aas s ILE 107 CO 0.02 0.46 -0.23 0.68 0.00 0.00 0.00 174.94 175.87 2aas s VAL 108 N 1.36 1.82 -0.10 2.92 -7.23 -0.54 -1.18 120.40 117.46 2aas s VAL 108 Ca 0.05 -1.20 -0.17 0.00 -1.81 0.00 0.00 61.98 58.84 2aas s VAL 108 Cb -0.14 -1.56 -0.05 0.00 0.56 0.00 0.00 36.38 35.19 2aas s VAL 108 CO -0.05 0.31 0.45 0.00 -0.31 0.00 0.00 175.10 175.50 2aas s ALA 109 N -0.74 3.52 -0.02 1.32 0.00 0.17 -0.28 121.76 125.72 2aas s ALA 109 Ca 0.09 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.87 2aas s ALA 109 Cb -0.09 -2.58 -0.00 0.00 0.00 0.00 0.00 23.12 20.45 2aas s ALA 109 CO 0.01 0.09 -0.10 0.00 0.00 0.00 0.00 175.76 175.77 2aas s GLU 111 N 0.05 0.64 0.00 0.00 1.03 -0.25 -4.90 118.70 115.26 2aas s GLU 111 Ca -0.01 -0.38 0.00 0.00 0.03 0.00 0.00 54.97 54.61 2aas s GLU 111 Cb -0.07 0.20 0.00 0.00 -0.80 0.00 0.00 34.13 33.46 2aas s GLU 111 CO 0.00 -0.29 0.00 0.41 -1.33 0.00 0.00 175.26 174.05 2aas n GLY 112 N -0.61 -1.88 2.64 -3.83 0.00 -1.26 -2.03 105.19 98.22 2aas n GLY 112 Ca -0.05 -2.17 -0.26 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.89 2.47 0.63 1.61 2.47 -1.26 -3.05 114.94 115.92 2aas s ASN 113 Ca 0.00 -0.66 -0.14 0.00 0.42 0.00 0.00 52.86 52.48 2aas s ASN 113 Cb 0.00 -0.32 -0.02 0.00 -1.45 0.00 0.00 41.25 39.46 2aas s ASN 113 CO 0.00 -0.34 1.06 -2.16 -3.72 0.00 0.00 177.10 171.94 2aas s PRO 114 N 2.08 3.17 -0.31 0.43 0.04 -1.26 -5.03 135.00 134.12 2aas s PRO 114 Ca 0.01 1.12 -0.27 0.00 0.04 0.00 0.00 61.00 61.90 2aas s PRO 114 Cb -0.16 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 2aas s PRO 114 CO -0.09 -0.92 2.24 -0.47 0.04 0.00 0.00 177.00 177.79 2aas s TYR 115 N -2.66 1.19 -0.01 0.56 5.04 -1.17 -4.93 117.35 115.38 2aas s TYR 115 Ca 0.62 0.84 0.08 0.00 -2.44 0.00 0.00 57.07 56.17 2aas s TYR 115 Cb -0.15 -3.85 -0.02 0.00 0.35 0.00 0.00 41.96 38.29 2aas s TYR 115 CO 0.43 -3.53 -0.26 0.14 -1.34 0.00 0.00 175.55 171.00 2aas s VAL 116 N 9.34 2.12 -0.00 3.14 -7.23 -0.86 -4.88 120.40 122.02 2aas s VAL 116 Ca 0.98 -1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 59.69 2aas s VAL 116 Cb -0.27 -1.75 -0.07 0.00 0.56 0.00 0.00 36.38 34.84 2aas s VAL 116 CO 0.32 0.53 1.84 -2.16 -0.31 0.00 0.00 175.10 175.32 2aas s PRO 117 N -0.77 4.16 -0.18 4.82 0.04 -1.26 -1.10 135.00 140.71 2aas s PRO 117 Ca 0.11 2.43 0.13 0.00 0.04 0.00 0.00 61.00 63.71 2aas s PRO 117 Cb -0.10 -4.09 -0.23 0.00 0.04 0.00 0.00 34.50 30.12 2aas s PRO 117 CO -0.00 -0.91 0.14 1.33 0.04 0.00 0.00 177.00 177.60 2aas n VAL 118 N 5.53 1.46 -3.93 -0.36 0.24 0.49 -4.54 118.33 117.22 2aas n VAL 118 Ca 0.19 -0.79 -0.13 0.00 -2.04 0.00 0.00 64.34 61.56 2aas n VAL 118 Cb 0.42 -0.77 -0.14 0.00 -1.47 0.00 0.00 33.84 31.88 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 0.11 -0.13 6.34 5.65 -1.13 -3.53 115.29 120.08 2aas s HIS 119 Ca -0.14 -0.01 -0.05 0.00 0.25 0.00 0.00 55.06 55.11 2aas s HIS 119 Cb 0.07 -0.08 -0.04 0.00 -1.18 0.00 0.00 32.58 31.35 2aas s HIS 119 CO 0.79 -0.01 0.06 0.12 -0.65 0.00 0.00 174.74 175.06 2aas s PHE 120 N 0.02 3.31 0.00 3.88 2.19 -1.26 -0.66 117.98 125.47 2aas s PHE 120 Ca -0.00 0.23 0.00 0.00 0.33 0.00 0.00 56.93 57.49 2aas s PHE 120 Cb -0.01 -1.94 0.00 0.00 -1.31 0.00 0.00 43.02 39.76 2aas s PHE 120 CO -0.00 0.41 0.00 -3.47 1.83 0.00 0.00 175.22 173.99 2aas n ASP 121 N 2.66 0.00 -3.84 6.13 2.03 -0.33 -4.98 116.55 118.22 2aas n ASP 121 Ca -0.18 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.02 2aas n ASP 121 Cb 0.53 -0.24 -0.09 0.00 -0.72 0.00 0.00 41.12 40.61 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 -2.56 -0.39 -0.18 -1.67 0.00 -1.23 -4.99 121.76 110.75 2aas s ALA 122 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.70 2aas s ALA 122 Cb 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 2aas s ALA 122 CO 0.00 -0.34 -0.03 -1.12 0.00 0.00 0.00 175.76 174.27 2aas s SER 123 N -1.96 4.69 0.00 0.00 0.01 -1.26 -0.85 113.70 114.33 2aas s SER 123 Ca -0.07 -0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.01 2aas s SER 123 Cb -0.02 -1.78 0.02 0.00 0.21 0.00 0.00 66.02 64.45 2aas s SER 123 CO -0.03 0.10 0.57 1.33 0.41 0.00 0.00 173.24 175.63