#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 3.11 0.74 1.64 2.12 -1.26 -4.97 118.70 120.08 2aas s GLU 2 Ca 0.00 -1.50 -0.11 0.00 0.36 0.00 0.00 54.97 53.72 2aas s GLU 2 Cb 0.00 -4.32 0.04 0.00 0.26 0.00 0.00 34.13 30.11 2aas s GLU 2 CO 0.00 -1.50 1.10 0.95 -0.54 0.00 0.00 175.26 175.27 2aas s THR 3 N 2.31 2.81 0.32 -1.70 -4.23 -1.26 -4.98 115.64 108.91 2aas s THR 3 Ca 0.12 0.18 0.03 0.00 -1.18 0.00 0.00 61.69 60.83 2aas s THR 3 Cb -0.23 -3.24 0.28 0.00 1.34 0.00 0.00 72.50 70.65 2aas s THR 3 CO 0.04 -0.31 1.93 0.00 -0.54 0.00 0.00 174.62 175.73 2aas h ALA 4 N -0.76 1.58 -0.83 3.99 0.00 -1.95 -1.57 119.26 119.71 2aas h ALA 4 Ca -0.45 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.48 2aas h ALA 4 Cb 1.29 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2aas h ALA 4 CO 0.64 0.29 0.54 0.00 0.00 0.00 0.00 179.25 180.73 2aas h ALA 5 N 1.54 1.52 -0.33 0.00 0.00 -1.78 -2.51 119.26 117.71 2aas h ALA 5 Ca 0.36 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 2aas h ALA 5 Cb 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2aas h ALA 5 CO -0.13 0.38 0.07 0.00 0.00 0.00 0.00 179.25 179.57 2aas h ALA 6 N 1.53 1.51 -0.23 0.00 0.00 -1.60 -0.51 119.26 119.96 2aas h ALA 6 Ca 0.34 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2aas h ALA 6 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2aas h ALA 6 CO -0.11 0.36 -0.05 -0.22 0.00 0.00 0.00 179.25 179.23 2aas h LYS 7 N 0.47 0.45 -0.41 0.00 3.64 -1.39 -0.67 116.57 118.66 2aas h LYS 7 Ca 0.11 -0.17 0.08 0.00 -1.27 0.00 0.00 60.65 59.40 2aas h LYS 7 Cb 0.20 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.92 2aas h LYS 7 CO -0.00 0.68 -0.03 0.35 -2.27 0.00 0.00 179.45 178.17 2aas h PHE 8 N 0.19 -0.09 -0.14 1.91 3.57 -1.31 -2.31 116.94 118.75 2aas h PHE 8 Ca 0.06 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.64 2aas h PHE 8 Cb 0.51 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.30 2aas h PHE 8 CO 0.05 -0.12 -0.19 0.93 -2.23 0.00 0.00 178.31 176.75 2aas h GLU 9 N 0.07 -0.23 0.44 1.11 5.08 -0.66 0.15 114.58 120.54 2aas h GLU 9 Ca 0.20 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 2aas h GLU 9 Cb 0.30 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2aas h GLU 9 CO -0.37 -0.15 -0.33 -0.09 -1.00 0.00 0.00 179.01 177.07 2aas h ARG 10 N -0.24 -0.73 -0.43 2.33 2.43 -1.00 0.76 114.38 117.50 2aas h ARG 10 Ca 0.10 0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 2aas h ARG 10 Cb 0.39 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 2aas h ARG 10 CO -0.28 -0.48 0.00 1.96 -1.51 0.00 0.00 179.97 179.65 2aas h GLN 11 N -0.75 0.70 0.00 0.20 4.20 -1.25 -3.43 115.11 114.78 2aas h GLN 11 Ca -0.04 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.44 2aas h GLN 11 Cb 0.64 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2aas h GLN 11 CO 0.00 0.71 -1.19 0.72 -0.67 0.00 0.00 178.83 178.40 2aas n HIS 12 N -4.24 0.00 -2.46 2.96 8.25 0.03 -4.49 115.22 115.27 2aas n HIS 12 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 2aas n HIS 12 Cb 0.28 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 2aas n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2aas s MET 13 N -2.06 4.36 -0.28 -0.41 -1.94 0.24 0.50 119.30 119.71 2aas s MET 13 Ca -0.05 1.68 0.17 0.00 -1.71 0.00 0.00 55.69 55.78 2aas s MET 13 Cb 0.02 -3.53 0.49 0.00 2.01 0.00 0.00 34.83 33.81 2aas s MET 13 CO 0.07 -0.42 1.13 -0.25 -0.01 0.00 0.00 175.02 175.54 2aas n ASP 14 N 5.04 2.81 -0.13 3.03 9.92 -0.05 -4.90 116.55 132.28 2aas n ASP 14 Ca 0.11 -2.69 0.12 0.00 -0.53 0.00 0.00 54.79 51.80 2aas n ASP 14 Cb 0.46 -0.43 0.48 0.00 -0.64 0.00 0.00 41.12 40.99 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 2.48 0.42 -0.62 -2.24 0.87 -1.75 -0.78 113.55 111.92 2aas h SER 15 Ca 0.05 0.01 0.14 0.00 -1.23 0.00 0.00 61.79 60.76 2aas h SER 15 Cb 1.35 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 63.20 2aas h SER 15 CO 0.41 0.24 0.43 0.77 -0.53 0.00 0.00 176.83 178.15 2aas h SER 16 N 0.46 0.24 -3.87 6.23 4.64 -1.92 -3.42 113.55 115.91 2aas h SER 16 Ca 0.32 0.01 -0.68 0.00 -0.47 0.00 0.00 61.79 60.96 2aas h SER 16 Cb 0.62 -0.04 -0.29 0.00 -0.31 0.00 0.00 62.40 62.38 2aas h SER 16 CO -0.10 0.13 -0.84 0.42 -0.87 0.00 0.00 176.83 175.58 2aas s THR 17 N -5.26 2.48 -0.13 2.95 -4.23 -0.30 -5.04 115.64 106.11 2aas s THR 17 Ca -0.07 -0.91 0.16 0.00 -1.18 0.00 0.00 61.69 59.70 2aas s THR 17 Cb 0.20 -1.95 0.10 0.00 1.34 0.00 0.00 72.50 72.19 2aas s THR 17 CO 0.75 0.57 1.50 -1.28 -0.54 0.00 0.00 174.62 175.61 2aas h SER 18 N 6.04 0.00 -4.65 3.99 0.87 -1.82 -3.43 113.55 114.54 2aas h SER 18 Ca -0.34 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.24 2aas h SER 18 Cb 1.18 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.95 2aas h SER 18 CO 0.49 0.44 0.36 0.00 -0.53 0.00 0.00 176.83 177.60 2aas s ALA 19 N -3.07 -1.81 -0.55 6.23 0.00 -1.26 -4.84 121.76 116.47 2aas s ALA 19 Ca 0.04 1.24 -0.26 0.00 0.00 0.00 0.00 51.96 52.97 2aas s ALA 19 Cb 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2aas s ALA 19 CO 0.73 -0.46 2.10 0.00 0.00 0.00 0.00 175.76 178.12 2aas s ALA 20 N -1.85 1.97 -1.56 0.00 0.00 -1.26 -4.86 121.76 114.20 2aas s ALA 20 Ca -0.04 -0.32 0.23 0.00 0.00 0.00 0.00 51.96 51.83 2aas s ALA 20 Cb -0.00 -4.31 1.19 0.00 0.00 0.00 0.00 23.12 19.99 2aas s ALA 20 CO 0.01 -4.09 1.73 -1.13 0.00 0.00 0.00 175.76 172.28 2aas n SER 21 N 14.00 0.00 -3.82 0.00 3.41 -1.26 -4.77 113.62 121.18 2aas n SER 21 Ca 0.27 -0.19 -0.12 0.00 -0.26 0.00 0.00 58.87 58.57 2aas n SER 21 Cb 0.53 -0.22 -0.11 0.00 -0.26 0.00 0.00 64.21 64.15 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 -2.44 -0.14 0.49 4.04 0.15 -1.26 -5.02 113.70 109.53 2aas s SER 22 Ca 0.24 0.21 0.23 0.00 0.70 0.00 0.00 55.95 57.33 2aas s SER 22 Cb 0.15 0.33 1.24 0.00 -1.71 0.00 0.00 66.02 66.04 2aas s SER 22 CO 0.32 -0.16 1.66 0.28 1.20 0.00 0.00 173.24 176.54 2aas h SER 23 N 5.35 0.00 -0.03 5.45 0.02 -1.87 -0.82 113.55 121.65 2aas h SER 23 Ca -0.27 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 2aas h SER 23 Cb 1.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 2aas h SER 23 CO 0.39 0.00 -0.20 0.59 -1.14 0.00 0.00 176.83 176.47 2aas n ASN 24 N -2.49 2.18 -0.01 3.07 5.03 -1.26 -3.04 115.26 118.74 2aas n ASN 24 Ca -0.02 -3.45 -0.09 0.00 0.87 0.00 0.00 54.58 51.90 2aas n ASN 24 Cb 0.31 -0.49 -0.03 0.00 -1.02 0.00 0.00 39.78 38.55 2aas n ASN 24 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 2aas h TYR 25 N 0.54 -0.45 -0.47 3.10 3.20 -1.47 -2.71 116.97 118.70 2aas h TYR 25 Ca 0.01 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.00 2aas h TYR 25 Cb 1.06 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 2aas h TYR 25 CO 0.38 -0.25 0.32 0.00 -1.64 0.00 0.00 178.16 176.98 2aas h ASN 27 N 0.21 -0.79 0.11 0.00 4.21 -1.73 0.18 115.58 117.77 2aas h ASN 27 Ca 0.22 0.16 -0.16 0.00 1.21 0.00 0.00 56.30 57.73 2aas h ASN 27 Cb 0.59 0.40 0.02 0.00 -1.12 0.00 0.00 38.32 38.21 2aas h ASN 27 CO -0.04 -0.26 -0.71 -0.61 -1.29 0.00 0.00 177.43 174.51 2aas h GLN 28 N -0.19 0.24 -0.59 0.81 5.75 -1.69 -3.37 115.11 116.07 2aas h GLN 28 Ca 0.18 -0.41 -0.00 0.00 -0.15 0.00 0.00 58.65 58.26 2aas h GLN 28 Cb 0.46 0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 2aas h GLN 28 CO -0.47 1.20 0.35 1.98 -2.65 0.00 0.00 178.83 179.24 2aas h MET 29 N -0.48 0.80 -0.99 1.69 4.05 -1.12 -2.35 114.93 116.53 2aas h MET 29 Ca -0.13 -0.07 0.21 0.00 -0.28 0.00 0.00 59.70 59.43 2aas h MET 29 Cb 1.54 -0.17 -0.09 0.00 -0.80 0.00 0.00 31.60 32.07 2aas h MET 29 CO 0.12 0.58 0.62 0.52 0.23 0.00 0.00 176.91 178.98 2aas h MET 30 N 0.80 0.57 -0.29 0.39 2.86 -0.83 -2.13 114.93 116.29 2aas h MET 30 Ca 0.21 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 2aas h MET 30 Cb -0.02 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 2aas h MET 30 CO -0.04 0.38 0.07 0.87 1.06 0.00 0.00 176.91 179.25 2aas h LYS 31 N 0.59 0.47 -0.97 1.72 1.57 -1.58 -2.88 116.57 115.48 2aas h LYS 31 Ca 0.56 -0.11 0.07 0.00 -1.87 0.00 0.00 60.65 59.30 2aas h LYS 31 Cb 1.12 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.30 2aas h LYS 31 CO -0.32 0.54 0.63 1.03 -0.57 0.00 0.00 179.45 180.76 2aas h SER 32 N 0.31 0.97 -0.07 0.86 0.87 -1.36 -0.54 113.55 114.60 2aas h SER 32 Ca 0.09 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2aas h SER 32 Cb 0.28 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2aas h SER 32 CO 0.00 0.61 0.00 0.54 -0.53 0.00 0.00 176.83 177.45 2aas n ARG 33 N -4.51 1.16 -1.76 2.24 3.00 -1.23 -4.90 116.66 110.66 2aas n ARG 33 Ca 0.15 -0.24 -0.19 0.00 -0.01 0.00 0.00 57.85 57.56 2aas n ARG 33 Cb 0.22 -1.07 -0.06 0.00 0.00 0.00 0.00 32.46 31.55 2aas n ARG 33 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2aas n ASN 34 N -0.30 -5.33 0.16 0.55 3.02 -0.21 -4.89 115.26 108.27 2aas n ASN 34 Ca 0.02 0.35 0.02 0.00 -0.03 0.00 0.00 54.58 54.94 2aas n ASN 34 Cb 0.06 -4.47 0.25 0.00 -0.61 0.00 0.00 39.78 35.02 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 0.00 -7.90 3.41 3.38 -1.67 -3.35 115.31 109.18 2aas h LEU 35 Ca -0.40 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 56.83 2aas h LEU 35 Cb 1.26 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.72 2aas h LEU 35 CO 0.56 0.49 -0.30 0.42 0.09 0.00 0.00 178.44 179.70 2aas s THR 36 N -3.61 4.43 -0.35 0.22 -4.23 -1.25 -4.00 115.64 106.84 2aas s THR 36 Ca -0.01 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2aas s THR 36 Cb 0.12 -3.88 0.14 0.00 1.34 0.00 0.00 72.50 70.22 2aas s THR 36 CO 0.72 -0.83 0.25 -0.75 -0.54 0.00 0.00 174.62 173.47 2aas s LYS 37 N 1.03 0.56 0.00 3.99 2.47 -1.26 -4.82 119.74 121.71 2aas s LYS 37 Ca 0.09 -1.18 0.00 0.00 -1.56 0.00 0.00 55.97 53.32 2aas s LYS 37 Cb -0.24 -1.14 0.00 0.00 -1.46 0.00 0.00 37.83 34.99 2aas s LYS 37 CO -0.02 -1.20 0.00 -3.47 0.16 0.00 0.00 175.35 170.82 2aas n ASP 38 N 4.13 0.00 -4.47 1.43 2.03 -1.26 -4.85 116.55 113.57 2aas n ASP 38 Ca 0.11 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.20 2aas n ASP 38 Cb 0.39 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.69 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 0.00 1.66 -0.11 -0.67 1.70 -1.26 -4.75 118.95 115.52 2aas s ARG 39 Ca 0.00 -1.91 -0.18 0.00 -0.47 0.00 0.00 55.73 53.17 2aas s ARG 39 Cb 0.00 -1.04 -0.04 0.00 -0.57 0.00 0.00 34.95 33.30 2aas s ARG 39 CO 0.00 -0.11 0.49 0.00 -1.08 0.00 0.00 175.30 174.59 2aas s LYS 41 N 0.61 4.30 0.13 0.00 2.20 -1.26 -4.97 119.74 120.75 2aas s LYS 41 Ca 0.26 1.97 -0.28 0.00 -0.36 0.00 0.00 55.97 57.57 2aas s LYS 41 Cb -0.15 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 2aas s LYS 41 CO 0.11 -0.52 1.60 -1.35 -0.36 0.00 0.00 175.35 174.82 2aas h PRO 42 N 7.54 -0.44 -3.49 4.03 0.11 -1.94 -3.41 132.00 134.40 2aas h PRO 42 Ca -0.39 0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.53 2aas h PRO 42 Cb 1.19 0.10 -0.28 0.00 0.11 0.00 0.00 31.00 32.12 2aas h PRO 42 CO 0.89 -0.30 -0.63 0.54 -0.21 0.00 0.00 178.00 178.30 2aas s VAL 43 N -5.94 -0.01 0.10 3.15 0.11 -1.26 -0.52 120.40 116.02 2aas s VAL 43 Ca -0.15 0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 58.72 2aas s VAL 43 Cb 0.10 -0.14 0.06 0.00 -1.53 0.00 0.00 36.38 34.86 2aas s VAL 43 CO 0.65 0.02 0.53 0.21 -3.33 0.00 0.00 175.10 173.18 2aas s ASN 44 N 0.27 -0.46 -0.10 3.54 2.47 -0.35 -5.04 114.94 115.27 2aas s ASN 44 Ca -0.02 0.05 0.01 0.00 0.42 0.00 0.00 52.86 53.32 2aas s ASN 44 Cb -0.03 0.53 0.02 0.00 -1.45 0.00 0.00 41.25 40.32 2aas s ASN 44 CO -0.01 -0.83 -0.14 -0.89 -3.72 0.00 0.00 177.10 171.51 2aas s THR 45 N -3.11 1.38 0.22 -5.21 2.01 -1.26 -0.03 115.64 109.65 2aas s THR 45 Ca -0.02 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 61.31 2aas s THR 45 Cb -0.00 -1.28 -0.07 0.00 0.01 0.00 0.00 72.50 71.16 2aas s THR 45 CO -0.07 0.42 0.55 -0.36 -0.69 0.00 0.00 174.62 174.47 2aas s PHE 46 N 1.05 3.45 -0.26 4.92 0.08 0.15 -4.27 117.98 123.10 2aas s PHE 46 Ca -0.06 0.91 0.02 0.00 0.12 0.00 0.00 56.93 57.93 2aas s PHE 46 Cb -0.15 -2.29 0.07 0.00 -0.57 0.00 0.00 43.02 40.09 2aas s PHE 46 CO -0.02 0.29 -0.06 0.08 -0.10 0.00 0.00 175.22 175.42 2aas s VAL 47 N -1.76 1.88 -0.10 -0.44 1.01 0.18 0.55 120.40 121.72 2aas s VAL 47 Ca 0.46 -1.57 -0.06 0.00 0.00 0.00 0.00 61.98 60.81 2aas s VAL 47 Cb -0.12 -2.12 -0.22 0.00 0.00 0.00 0.00 36.38 33.92 2aas s VAL 47 CO 0.21 -0.17 3.49 1.41 0.00 0.00 0.00 175.10 180.04 2aas n HIS 48 N 4.52 0.28 -4.24 5.22 8.25 0.24 -0.87 115.22 128.62 2aas n HIS 48 Ca -0.10 -1.60 -0.13 0.00 -0.26 0.00 0.00 57.72 55.63 2aas n HIS 48 Cb 0.43 -1.59 -0.10 0.00 1.12 0.00 0.00 29.99 29.85 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 0.62 1.09 0.68 -0.41 0.41 -1.26 -4.70 118.70 115.12 2aas s GLU 49 Ca 0.66 -1.52 -0.14 0.00 -0.41 0.00 0.00 54.97 53.56 2aas s GLU 49 Cb 0.33 -0.28 0.01 0.00 -1.78 0.00 0.00 34.13 32.41 2aas s GLU 49 CO -0.03 -0.11 1.11 -1.54 -0.49 0.00 0.00 175.26 174.19 2aas s SER 50 N -3.16 4.96 0.22 -0.19 1.04 -1.26 -3.36 113.70 111.95 2aas s SER 50 Ca 0.23 1.98 -0.08 0.00 0.48 0.00 0.00 55.95 58.56 2aas s SER 50 Cb 0.06 -2.55 0.26 0.00 0.10 0.00 0.00 66.02 63.89 2aas s SER 50 CO 0.03 -1.73 1.85 0.25 0.98 0.00 0.00 173.24 174.62 2aas h LEU 51 N -0.19 0.78 -0.54 2.42 5.85 -1.99 -2.64 115.31 119.00 2aas h LEU 51 Ca -0.46 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.34 2aas h LEU 51 Cb 1.25 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 2aas h LEU 51 CO 0.53 0.52 0.19 0.00 -0.34 0.00 0.00 178.44 179.35 2aas h ALA 52 N 1.35 0.67 0.00 1.25 0.00 -1.99 0.16 119.26 120.70 2aas h ALA 52 Ca 0.33 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 2aas h ALA 52 Cb 0.08 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2aas h ALA 52 CO -0.14 -0.21 -0.12 0.22 0.00 0.00 0.00 179.25 178.99 2aas h ASP 53 N 0.37 0.00 0.18 0.00 3.58 -1.88 -2.57 116.42 116.10 2aas h ASP 53 Ca 0.27 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.37 2aas h ASP 53 Cb 0.31 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.30 2aas h ASP 53 CO -0.28 0.12 -2.10 0.52 -2.88 0.00 0.00 179.24 174.63 2aas n VAL 54 N -3.60 1.56 -0.37 2.25 0.31 0.05 -3.31 118.33 115.22 2aas n VAL 54 Ca -0.02 -0.74 0.29 0.00 -0.01 0.00 0.00 64.34 63.87 2aas n VAL 54 Cb 0.25 -1.10 0.56 0.00 -0.91 0.00 0.00 33.84 32.64 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 0.02 0.21 0.00 5.55 4.20 -0.74 -0.37 115.11 123.98 2aas h GLN 55 Ca -0.44 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2aas h GLN 55 Cb 2.06 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.80 2aas h GLN 55 CO 0.04 0.14 0.00 0.00 -0.67 0.00 0.00 178.83 178.34 2aas h ALA 56 N 1.73 1.00 0.05 3.87 0.00 -1.45 -1.55 119.26 122.91 2aas h ALA 56 Ca 0.75 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 55.41 2aas h ALA 56 Cb 2.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.81 2aas h ALA 56 CO -0.50 0.00 -1.27 0.28 0.00 0.00 0.00 179.25 177.76 2aas h VAL 57 N 0.00 1.42 0.00 0.00 2.07 -1.17 -3.33 116.25 115.24 2aas h VAL 57 Ca 0.00 -3.11 0.00 0.00 0.82 0.00 0.00 66.70 64.41 2aas h VAL 57 Cb 0.11 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2aas h VAL 57 CO 0.00 0.85 0.00 0.00 0.02 0.00 0.00 177.57 178.44 2aas n SER 59 N -2.45 3.20 0.00 0.00 3.41 -1.25 -4.88 113.62 111.65 2aas n SER 59 Ca -0.01 -2.81 0.00 0.00 -0.26 0.00 0.00 58.87 55.79 2aas n SER 59 Cb 0.10 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 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 -0.60 0.00 -3.91 4.33 6.02 -0.79 -5.04 117.38 117.40 2aas n GLN 60 Ca 0.17 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.88 2aas n GLN 60 Cb 0.71 -0.08 -0.17 0.00 1.02 0.00 0.00 30.24 31.72 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 -0.17 1.53 0.14 -1.09 2.20 -0.48 -5.01 119.74 116.86 2aas s LYS 61 Ca 0.00 -0.38 -0.30 0.00 -0.36 0.00 0.00 55.97 54.93 2aas s LYS 61 Cb 0.00 -1.79 -0.07 0.00 -1.51 0.00 0.00 37.83 34.46 2aas s LYS 61 CO 0.00 -0.33 1.02 1.21 -0.36 0.00 0.00 175.35 176.88 2aas s ASN 62 N 1.66 7.41 0.26 1.43 3.84 -1.26 -0.16 114.94 128.12 2aas s ASN 62 Ca 0.03 1.91 0.02 0.00 0.21 0.00 0.00 52.86 55.03 2aas s ASN 62 Cb -0.14 -2.59 -0.04 0.00 -0.55 0.00 0.00 41.25 37.93 2aas s ASN 62 CO -0.08 -0.12 0.15 0.68 -2.79 0.00 0.00 177.10 174.94 2aas s VAL 63 N -0.09 0.18 -0.07 -5.21 -7.23 -0.44 -4.93 120.40 102.62 2aas s VAL 63 Ca 0.48 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.55 2aas s VAL 63 Cb -0.26 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.11 2aas s VAL 63 CO 0.32 0.00 0.25 0.00 -0.31 0.00 0.00 175.10 175.36 2aas s ALA 64 N -3.83 3.80 0.71 1.32 0.00 -1.26 -2.89 121.76 119.60 2aas s ALA 64 Ca 0.38 -0.46 -0.13 0.00 0.00 0.00 0.00 51.96 51.74 2aas s ALA 64 Cb 0.06 -2.15 0.03 0.00 0.00 0.00 0.00 23.12 21.06 2aas s ALA 64 CO 0.16 0.56 1.12 0.00 0.00 0.00 0.00 175.76 177.59 2aas h LYS 66 N -0.44 0.52 0.00 0.00 1.63 -1.96 0.30 116.57 116.62 2aas h LYS 66 Ca -0.46 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.27 2aas h LYS 66 Cb 1.25 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 2aas h LYS 66 CO 0.52 0.34 -0.18 -2.95 -3.45 0.00 0.00 179.45 173.74 2aas h ASN 67 N 0.53 0.00 0.00 4.20 -1.07 -2.02 -3.47 115.58 113.75 2aas h ASN 67 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.79 2aas h ASN 67 Cb 0.86 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.11 2aas h ASN 67 CO -0.17 0.18 0.00 0.61 0.07 0.00 0.00 177.43 178.12 2aas n GLY 68 N -0.08 1.06 3.81 9.14 0.00 0.11 -5.12 105.19 114.10 2aas n GLY 68 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.16 4.29 0.00 1.61 -2.07 -1.25 -4.71 119.66 117.36 2aas s GLN 69 Ca 0.00 1.02 0.28 0.00 -1.82 0.00 0.00 55.36 54.85 2aas s GLN 69 Cb 0.00 -2.57 1.21 0.00 -1.09 0.00 0.00 33.01 30.56 2aas s GLN 69 CO 0.00 0.19 1.91 0.25 -1.32 0.00 0.00 175.29 176.32 2aas n THR 70 N 0.07 0.05 -1.33 3.63 -2.24 -1.26 -0.30 114.28 112.90 2aas n THR 70 Ca 0.03 0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.48 2aas n THR 70 Cb 0.52 -0.53 0.08 0.00 -2.10 0.00 0.00 70.33 68.30 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 -1.50 7.64 -4.61 3.42 6.94 -1.26 -4.50 115.26 121.39 2aas n ASN 71 Ca 0.07 -3.75 -0.29 0.00 -0.02 0.00 0.00 54.58 50.59 2aas n ASN 71 Cb 0.33 -0.99 -0.09 0.00 -2.36 0.00 0.00 39.78 36.67 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 -0.01 0.00 1.51 -0.62 -1.32 117.35 115.63 2aas s TYR 73 Ca 0.23 -0.10 -0.01 0.00 -1.01 0.00 0.00 57.07 56.18 2aas s TYR 73 Cb -0.11 -0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.67 2aas s TYR 73 CO 0.15 -0.04 0.11 -1.14 -1.11 0.00 0.00 175.55 173.53 2aas s GLN 74 N -0.29 3.18 0.11 -0.62 0.74 0.77 -1.90 119.66 121.66 2aas s GLN 74 Ca -0.03 -0.43 -0.19 0.00 0.05 0.00 0.00 55.36 54.76 2aas s GLN 74 Cb -0.02 -2.94 -0.07 0.00 1.10 0.00 0.00 33.01 31.08 2aas s GLN 74 CO -0.00 0.66 0.60 -1.54 -0.55 0.00 0.00 175.29 174.46 2aas s SER 75 N -1.77 7.04 0.54 6.67 1.04 -1.18 -1.38 113.70 124.65 2aas s SER 75 Ca 0.24 1.27 0.31 0.00 0.48 0.00 0.00 55.95 58.25 2aas s SER 75 Cb -0.12 -2.36 1.45 0.00 0.10 0.00 0.00 66.02 65.09 2aas s SER 75 CO 0.15 0.21 2.03 1.88 0.98 0.00 0.00 173.24 178.49 2aas h TYR 76 N 4.21 0.00 -2.91 5.02 0.05 -1.95 -3.43 116.97 117.96 2aas h TYR 76 Ca -0.49 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 57.68 2aas h TYR 76 Cb 1.21 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.90 2aas h TYR 76 CO 0.67 0.08 -0.52 -1.54 -1.05 0.00 0.00 178.16 175.80 2aas s SER 77 N -5.86 6.15 0.32 3.88 1.04 -1.26 -5.10 113.70 112.87 2aas s SER 77 Ca -0.01 0.18 -0.27 0.00 0.48 0.00 0.00 55.95 56.33 2aas s SER 77 Cb 0.11 -1.83 -0.09 0.00 0.10 0.00 0.00 66.02 64.31 2aas s SER 77 CO 0.56 0.15 1.07 0.42 0.98 0.00 0.00 173.24 176.41 2aas s THR 78 N -1.53 3.61 0.12 2.02 -4.23 -1.26 -4.57 115.64 109.80 2aas s THR 78 Ca 0.34 1.47 0.09 0.00 -1.18 0.00 0.00 61.69 62.41 2aas s THR 78 Cb -0.12 -3.88 -0.04 0.00 1.34 0.00 0.00 72.50 69.80 2aas s THR 78 CO 0.27 0.24 -0.20 -0.04 -0.54 0.00 0.00 174.62 174.35 2aas s MET 79 N -1.82 1.72 -0.76 3.99 -1.94 0.13 -4.75 119.30 115.87 2aas s MET 79 Ca 0.49 -1.20 -0.26 0.00 -1.71 0.00 0.00 55.69 53.01 2aas s MET 79 Cb -0.28 -2.07 -0.02 0.00 2.01 0.00 0.00 34.83 34.46 2aas s MET 79 CO 0.35 0.48 1.83 0.45 -0.01 0.00 0.00 175.02 178.12 2aas s SER 80 N -2.10 5.35 0.02 3.03 0.15 -1.26 -1.79 113.70 117.10 2aas s SER 80 Ca 0.17 -0.21 0.06 0.00 0.70 0.00 0.00 55.95 56.68 2aas s SER 80 Cb -0.10 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.63 2aas s SER 80 CO 0.09 -2.44 -0.18 0.27 1.20 0.00 0.00 173.24 172.19 2aas s ILE 81 N 9.02 2.81 -0.38 6.45 -5.25 -0.20 -0.60 121.20 133.06 2aas s ILE 81 Ca 0.65 -1.10 0.04 0.00 -0.99 0.00 0.00 60.65 59.25 2aas s ILE 81 Cb -0.09 -2.16 0.11 0.00 2.95 0.00 0.00 42.46 43.26 2aas s ILE 81 CO 0.10 0.39 0.10 -0.89 -1.79 0.00 0.00 174.94 172.85 2aas s THR 82 N -0.88 2.25 -0.02 8.37 2.01 0.19 -1.03 115.64 126.53 2aas s THR 82 Ca 0.14 -2.51 -0.30 0.00 0.31 0.00 0.00 61.69 59.33 2aas s THR 82 Cb -0.10 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 2aas s THR 82 CO 0.04 -0.65 1.14 -1.81 -0.69 0.00 0.00 174.62 172.65 2aas s ASP 83 N 0.68 7.14 -0.34 3.53 1.11 -0.18 0.34 116.67 128.95 2aas s ASP 83 Ca 0.12 1.80 0.01 0.00 0.18 0.00 0.00 52.55 54.66 2aas s ASP 83 Cb -0.20 -2.57 0.08 0.00 1.07 0.00 0.00 42.92 41.30 2aas s ASP 83 CO -0.07 -0.48 0.05 0.00 1.18 0.00 0.00 175.17 175.85 2aas s ARG 85 N 1.07 3.02 0.31 0.00 3.00 -0.18 -1.22 118.95 124.96 2aas s ARG 85 Ca 0.03 -0.85 -0.30 0.00 -1.00 0.00 0.00 55.73 53.62 2aas s ARG 85 Cb -0.20 -2.47 -0.12 0.00 0.00 0.00 0.00 34.95 32.16 2aas s ARG 85 CO -0.05 -0.06 1.55 -1.91 0.00 0.00 0.00 175.30 174.83 2aas n GLU 86 N 4.21 2.64 -1.95 5.12 2.13 0.32 0.28 120.64 133.39 2aas n GLU 86 Ca -0.20 0.94 -0.31 0.00 0.66 0.00 0.00 57.16 58.24 2aas n GLU 86 Cb 0.51 -2.69 0.01 0.00 0.27 0.00 0.00 31.44 29.53 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 -0.30 4.71 0.43 6.31 -4.23 -0.11 -4.78 115.64 117.66 2aas s THR 87 Ca 0.61 0.87 0.15 0.00 -1.18 0.00 0.00 61.69 62.14 2aas s THR 87 Cb -0.50 -3.86 0.34 0.00 1.34 0.00 0.00 72.50 69.82 2aas s THR 87 CO 0.53 -1.10 1.94 1.23 -0.54 0.00 0.00 174.62 176.68 2aas h GLY 88 N -0.19 0.67 -4.65 3.99 0.00 -1.95 -3.00 103.07 97.94 2aas h GLY 88 Ca -0.44 -0.18 -0.73 0.00 0.00 0.00 0.00 47.33 45.98 2aas h GLY 88 CO 0.62 0.08 0.83 -1.14 0.00 0.00 0.00 176.54 176.93 2aas n SER 89 N -4.47 7.31 -4.16 0.19 3.41 -1.26 -4.91 113.62 109.72 2aas n SER 89 Ca 0.13 -3.81 -0.36 0.00 -0.26 0.00 0.00 58.87 54.56 2aas n SER 89 Cb 0.46 -0.98 -0.13 0.00 -0.26 0.00 0.00 64.21 63.30 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 -1.54 5.07 0.34 4.04 0.15 -1.14 -4.65 113.70 115.98 2aas s SER 90 Ca 0.55 -1.54 0.09 0.00 0.70 0.00 0.00 55.95 55.75 2aas s SER 90 Cb 0.46 -1.77 -0.05 0.00 -1.71 0.00 0.00 66.02 62.94 2aas s SER 90 CO -0.28 -0.37 0.04 -1.59 1.20 0.00 0.00 173.24 172.24 2aas s LYS 91 N 1.22 2.14 -0.06 5.44 0.00 -1.20 -4.81 119.74 122.47 2aas s LYS 91 Ca 0.00 -1.71 -0.16 0.00 0.00 0.00 0.00 55.97 54.10 2aas s LYS 91 Cb -0.21 -1.97 -0.05 0.00 0.00 0.00 0.00 37.83 35.60 2aas s LYS 91 CO -0.02 0.12 0.44 -0.47 0.00 0.00 0.00 175.35 175.42 2aas s TYR 92 N -2.50 3.62 -0.54 1.78 5.04 -1.26 -0.70 117.35 122.78 2aas s TYR 92 Ca 0.35 0.93 0.01 0.00 -2.44 0.00 0.00 57.07 55.93 2aas s TYR 92 Cb -0.00 -2.42 0.56 0.00 0.35 0.00 0.00 41.96 40.45 2aas s TYR 92 CO 0.20 0.40 1.97 -0.35 -1.34 0.00 0.00 175.55 176.43 2aas n PRO 93 N 2.75 2.43 -3.08 4.97 -0.04 -1.26 -5.00 135.00 135.77 2aas n PRO 93 Ca -0.11 -3.10 -0.33 0.00 -0.04 0.00 0.00 63.50 59.92 2aas n PRO 93 Cb 0.52 -2.22 -0.03 0.00 -0.04 0.00 0.00 33.50 31.73 2aas n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2aas n ASN 94 N -1.02 5.17 -4.65 3.54 4.13 0.12 -5.04 115.26 117.51 2aas n ASN 94 Ca 0.61 -3.53 -0.43 0.00 1.68 0.00 0.00 54.58 52.91 2aas n ASN 94 Cb 1.21 -0.87 -0.02 0.00 -1.54 0.00 0.00 39.78 38.55 2aas n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2aas s ALA 96 N 3.94 2.74 0.03 0.00 0.00 -1.26 -4.60 121.76 122.60 2aas s ALA 96 Ca 0.62 -1.38 0.08 0.00 0.00 0.00 0.00 51.96 51.28 2aas s ALA 96 Cb -0.25 -1.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 2aas s ALA 96 CO 0.21 -0.71 -0.25 0.71 0.00 0.00 0.00 175.76 175.73 2aas s TYR 97 N 1.38 2.17 -0.57 0.00 1.51 -1.26 -0.93 117.35 119.64 2aas s TYR 97 Ca 0.02 -0.40 -0.25 0.00 -1.01 0.00 0.00 57.07 55.42 2aas s TYR 97 Cb -0.16 -1.33 0.04 0.00 -0.11 0.00 0.00 41.96 40.40 2aas s TYR 97 CO -0.04 0.07 1.04 0.15 -1.11 0.00 0.00 175.55 175.66 2aas s LYS 98 N -1.03 3.37 -0.22 -0.62 1.02 0.14 -4.64 119.74 117.77 2aas s LYS 98 Ca 0.10 -0.12 -0.10 0.00 0.02 0.00 0.00 55.97 55.87 2aas s LYS 98 Cb -0.10 -4.05 -0.05 0.00 -0.52 0.00 0.00 37.83 33.11 2aas s LYS 98 CO 0.01 -1.59 0.15 0.99 -0.92 0.00 0.00 175.35 173.99 2aas s THR 99 N 4.34 5.36 -0.13 2.17 2.01 -1.17 -1.01 115.64 127.21 2aas s THR 99 Ca 0.34 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.54 2aas s THR 99 Cb -0.11 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 68.94 2aas s THR 99 CO 0.21 0.38 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.44 2aas s THR 100 N 0.79 1.79 -0.36 -0.82 2.01 -0.09 -4.73 115.64 114.23 2aas s THR 100 Ca 0.08 -0.81 -0.15 0.00 0.31 0.00 0.00 61.69 61.12 2aas s THR 100 Cb -0.13 -1.61 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 2aas s THR 100 CO 0.02 0.50 0.32 -1.58 -0.69 0.00 0.00 174.62 173.19 2aas s GLN 101 N 0.97 3.41 0.02 4.92 2.00 -1.26 -1.01 119.66 128.71 2aas s GLN 101 Ca -0.05 -0.62 0.01 0.00 -2.00 0.00 0.00 55.36 52.71 2aas s GLN 101 Cb -0.15 -3.85 -0.01 0.00 0.80 0.00 0.00 33.01 29.80 2aas s GLN 101 CO -0.03 -0.56 -0.05 0.00 -0.50 0.00 0.00 175.29 174.14 2aas s ALA 102 N 1.88 0.39 -0.65 1.58 0.00 -0.20 -5.03 121.76 119.74 2aas s ALA 102 Ca 0.09 -0.45 -0.12 0.00 0.00 0.00 0.00 51.96 51.49 2aas s ALA 102 Cb -0.17 -0.00 0.17 0.00 0.00 0.00 0.00 23.12 23.11 2aas s ALA 102 CO 0.11 0.01 0.56 -0.80 0.00 0.00 0.00 175.76 175.64 2aas s ASN 103 N -0.83 6.15 0.17 0.00 -0.87 -1.26 -1.03 114.94 117.27 2aas s ASN 103 Ca -0.05 -2.32 0.05 0.00 -1.57 0.00 0.00 52.86 48.96 2aas s ASN 103 Cb -0.06 -2.11 -0.05 0.00 -0.02 0.00 0.00 41.25 39.02 2aas s ASN 103 CO -0.00 -0.64 -0.09 -0.54 -2.57 0.00 0.00 177.10 173.26 2aas s LYS 104 N 0.74 1.14 0.33 -0.60 1.02 -0.74 -4.71 119.74 116.92 2aas s LYS 104 Ca 0.11 -1.50 -0.20 0.00 0.02 0.00 0.00 55.97 54.40 2aas s LYS 104 Cb -0.20 -0.69 -0.10 0.00 -0.52 0.00 0.00 37.83 36.32 2aas s LYS 104 CO -0.03 0.07 0.84 -1.01 -0.92 0.00 0.00 175.35 174.29 2aas s HIS 105 N -3.29 3.49 0.02 3.18 3.76 0.06 0.20 115.29 122.70 2aas s HIS 105 Ca 0.19 1.49 0.07 0.00 -0.15 0.00 0.00 55.06 56.66 2aas s HIS 105 Cb 0.03 -2.73 -0.03 0.00 1.11 0.00 0.00 32.58 30.96 2aas s HIS 105 CO 0.03 0.12 -0.20 0.96 -0.85 0.00 0.00 174.74 174.80 2aas s ILE 106 N -1.85 2.65 -0.42 0.60 -4.36 -1.26 0.29 121.20 116.85 2aas s ILE 106 Ca 0.53 -1.11 -0.09 0.00 -0.26 0.00 0.00 60.65 59.72 2aas s ILE 106 Cb -0.13 -2.07 0.08 0.00 1.25 0.00 0.00 42.46 41.59 2aas s ILE 106 CO 0.18 0.43 0.26 -0.63 0.24 0.00 0.00 174.94 175.42 2aas s ILE 107 N -0.83 4.18 -0.16 8.37 1.09 0.90 -3.12 121.20 131.63 2aas s ILE 107 Ca 0.13 -1.45 -0.07 0.00 -1.10 0.00 0.00 60.65 58.15 2aas s ILE 107 Cb -0.10 -3.58 -0.04 0.00 -1.06 0.00 0.00 42.46 37.67 2aas s ILE 107 CO 0.03 -0.53 0.08 0.68 -0.10 0.00 0.00 174.94 175.10 2aas s VAL 108 N 1.41 5.00 -0.39 2.92 -7.23 -0.80 -1.49 120.40 119.82 2aas s VAL 108 Ca 0.03 0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 59.95 2aas s VAL 108 Cb -0.23 -3.23 0.02 0.00 0.56 0.00 0.00 36.38 33.50 2aas s VAL 108 CO 0.02 0.50 1.17 0.00 -0.31 0.00 0.00 175.10 176.48 2aas s ALA 109 N -0.05 3.29 0.03 1.32 0.00 0.55 -1.59 121.76 125.32 2aas s ALA 109 Ca 0.08 -0.21 0.05 0.00 0.00 0.00 0.00 51.96 51.88 2aas s ALA 109 Cb -0.12 -3.81 -0.03 0.00 0.00 0.00 0.00 23.12 19.16 2aas s ALA 109 CO 0.01 -1.93 -0.11 0.00 0.00 0.00 0.00 175.76 173.72 2aas s GLU 111 N -1.50 1.12 0.00 0.00 2.02 -0.68 -4.89 118.70 114.76 2aas s GLU 111 Ca 0.17 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.52 2aas s GLU 111 Cb -0.11 0.37 0.00 0.00 0.10 0.00 0.00 34.13 34.49 2aas s GLU 111 CO 0.07 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.25 2aas n GLY 112 N -0.51 1.07 2.63 -1.39 0.00 -1.26 -1.18 105.19 104.56 2aas n GLY 112 Ca -0.06 -2.10 -0.27 0.00 0.00 0.00 0.00 46.02 43.59 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 2.65 0.63 1.61 2.47 -1.26 -2.91 114.94 118.13 2aas s ASN 113 Ca 0.00 -0.76 -0.16 0.00 0.42 0.00 0.00 52.86 52.36 2aas s ASN 113 Cb 0.00 -0.35 -0.02 0.00 -1.45 0.00 0.00 41.25 39.43 2aas s ASN 113 CO 0.00 -0.35 1.10 -2.16 -3.72 0.00 0.00 177.10 171.97 2aas s PRO 114 N 2.06 2.98 0.16 0.43 0.04 -1.26 -5.08 135.00 134.33 2aas s PRO 114 Ca 0.02 1.39 -0.32 0.00 0.04 0.00 0.00 61.00 62.14 2aas s PRO 114 Cb -0.16 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 2aas s PRO 114 CO -0.12 -1.11 1.59 -0.47 0.04 0.00 0.00 177.00 176.93 2aas s TYR 115 N -2.27 2.98 0.14 0.56 5.04 -1.15 -5.01 117.35 117.64 2aas s TYR 115 Ca 0.67 0.57 0.00 0.00 -2.44 0.00 0.00 57.07 55.87 2aas s TYR 115 Cb -0.20 -3.95 -0.04 0.00 0.35 0.00 0.00 41.96 38.12 2aas s TYR 115 CO 0.38 -3.55 0.02 0.14 -1.34 0.00 0.00 175.55 171.20 2aas s VAL 116 N 1.30 0.39 0.05 3.14 -7.23 -0.32 -4.81 120.40 112.92 2aas s VAL 116 Ca 0.71 -1.93 -0.31 0.00 -1.81 0.00 0.00 61.98 58.64 2aas s VAL 116 Cb -0.44 -2.01 -0.07 0.00 0.56 0.00 0.00 36.38 34.43 2aas s VAL 116 CO 0.31 -0.54 1.48 -2.16 -0.31 0.00 0.00 175.10 173.88 2aas s PRO 117 N -3.97 4.26 -0.16 4.82 0.04 -1.26 -1.69 135.00 137.04 2aas s PRO 117 Ca 0.22 2.12 0.10 0.00 0.04 0.00 0.00 61.00 63.47 2aas s PRO 117 Cb 0.07 -3.50 -0.17 0.00 0.04 0.00 0.00 34.50 30.94 2aas s PRO 117 CO 0.01 -0.60 -0.02 1.33 0.04 0.00 0.00 177.00 177.77 2aas n VAL 118 N 4.51 1.06 -3.98 -0.36 0.24 0.47 -4.26 118.33 116.01 2aas n VAL 118 Ca 0.14 -0.57 -0.09 0.00 -2.04 0.00 0.00 64.34 61.78 2aas n VAL 118 Cb 0.42 -0.78 -0.10 0.00 -1.47 0.00 0.00 33.84 31.91 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 -2.37 0.28 -0.07 6.34 3.76 -0.99 -2.83 115.29 119.41 2aas s HIS 119 Ca -0.13 -0.63 -0.02 0.00 -0.15 0.00 0.00 55.06 54.13 2aas s HIS 119 Cb 0.05 -0.21 -0.03 0.00 1.11 0.00 0.00 32.58 33.50 2aas s HIS 119 CO 0.56 -0.32 0.03 0.12 -0.85 0.00 0.00 174.74 174.28 2aas s PHE 120 N -2.61 3.23 0.00 1.40 5.36 -1.26 -0.33 117.98 123.77 2aas s PHE 120 Ca -0.05 0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.15 2aas s PHE 120 Cb -0.01 -1.79 0.00 0.00 -0.34 0.00 0.00 43.02 40.88 2aas s PHE 120 CO -0.05 0.52 0.00 -3.47 -1.46 0.00 0.00 175.22 170.76 2aas n ASP 121 N 1.91 0.00 -4.10 6.13 2.03 -0.56 -4.91 116.55 117.05 2aas n ASP 121 Ca -0.18 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 54.98 2aas n ASP 121 Cb 0.54 -0.02 -0.12 0.00 -0.72 0.00 0.00 41.12 40.80 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 -2.49 0.80 -0.17 -1.67 0.00 -1.16 -5.01 121.76 112.06 2aas s ALA 122 Ca 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 2aas s ALA 122 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 2aas s ALA 122 CO 0.00 0.06 -0.02 -1.12 0.00 0.00 0.00 175.76 174.67 2aas s SER 123 N -1.58 4.78 0.00 0.00 0.01 -1.26 -0.07 113.70 115.58 2aas s SER 123 Ca -0.06 -0.17 0.05 0.00 1.31 0.00 0.00 55.95 57.08 2aas s SER 123 Cb -0.10 -1.80 0.04 0.00 0.21 0.00 0.00 66.02 64.38 2aas s SER 123 CO 0.01 0.12 0.66 1.33 0.41 0.00 0.00 173.24 175.78