#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 3.25 1.00 -1.58 2.12 -1.26 -5.00 118.70 117.23 2aas s GLU 2 Ca 0.00 -1.08 -0.15 0.00 0.36 0.00 0.00 54.97 54.09 2aas s GLU 2 Cb 0.00 -4.44 0.20 0.00 0.26 0.00 0.00 34.13 30.15 2aas s GLU 2 CO 0.00 -1.82 1.19 0.95 -0.54 0.00 0.00 175.26 175.04 2aas s THR 3 N 3.73 1.89 0.15 -1.70 -4.23 -1.26 -4.93 115.64 109.30 2aas s THR 3 Ca 0.25 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.60 2aas s THR 3 Cb -0.13 -2.76 0.01 0.00 1.34 0.00 0.00 72.50 70.95 2aas s THR 3 CO 0.05 0.00 1.76 0.00 -0.54 0.00 0.00 174.62 175.89 2aas h ALA 4 N -1.82 0.39 -0.80 3.99 0.00 -1.95 -1.62 119.26 117.45 2aas h ALA 4 Ca -0.47 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.49 2aas h ALA 4 Cb 1.29 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2aas h ALA 4 CO 0.47 -0.25 0.53 0.00 0.00 0.00 0.00 179.25 180.00 2aas h ALA 5 N 1.20 1.49 -0.29 0.00 0.00 -1.78 -1.58 119.26 118.30 2aas h ALA 5 Ca 0.15 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2aas h ALA 5 Cb 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2aas h ALA 5 CO -0.13 0.44 -0.11 0.00 0.00 0.00 0.00 179.25 179.45 2aas h ALA 6 N 1.52 1.28 -0.11 0.00 0.00 -1.65 -1.23 119.26 119.08 2aas h ALA 6 Ca 0.31 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2aas h ALA 6 Cb -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2aas h ALA 6 CO -0.08 0.48 0.01 0.87 0.00 0.00 0.00 179.25 180.52 2aas h LYS 7 N 0.44 0.19 -0.54 0.00 1.57 -0.50 -0.51 116.57 117.23 2aas h LYS 7 Ca 0.09 -0.05 0.11 0.00 -1.87 0.00 0.00 60.65 58.92 2aas h LYS 7 Cb 0.46 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.66 2aas h LYS 7 CO 0.03 0.41 -0.04 0.35 -0.57 0.00 0.00 179.45 179.63 2aas h PHE 8 N -0.06 -0.11 0.13 -1.35 3.04 -1.14 0.39 116.94 117.84 2aas h PHE 8 Ca 0.03 0.04 0.02 0.00 3.98 0.00 0.00 57.97 62.04 2aas h PHE 8 Cb 0.32 0.13 -0.04 0.00 2.56 0.00 0.00 35.95 38.92 2aas h PHE 8 CO 0.02 -0.16 -0.33 0.93 -2.02 0.00 0.00 178.31 176.75 2aas h GLU 9 N 0.08 -0.54 0.05 1.11 4.39 -0.98 0.65 114.58 119.34 2aas h GLU 9 Ca 0.27 0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 2aas h GLU 9 Cb 0.42 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2aas h GLU 9 CO -0.48 -0.36 -0.03 -0.09 -1.16 0.00 0.00 179.01 176.89 2aas h ARG 10 N -0.56 -0.07 -0.17 2.33 2.43 -0.61 -1.13 114.38 116.60 2aas h ARG 10 Ca 0.03 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.03 2aas h ARG 10 Cb 0.59 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2aas h ARG 10 CO -0.18 -0.01 -0.61 1.96 -1.51 0.00 0.00 179.97 179.61 2aas h GLN 11 N -0.11 0.59 0.00 0.20 4.20 -0.88 -3.42 115.11 115.69 2aas h GLN 11 Ca -0.01 -0.40 -0.15 0.00 0.06 0.00 0.00 58.65 58.15 2aas h GLN 11 Cb 0.09 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2aas h GLN 11 CO 0.01 1.02 -1.52 0.72 -0.67 0.00 0.00 178.83 178.39 2aas n HIS 12 N -3.94 0.00 -2.47 2.96 8.25 0.22 -4.42 115.22 115.82 2aas n HIS 12 Ca -0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.00 2aas n HIS 12 Cb 0.64 -0.34 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 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 -2.17 4.32 -0.33 -0.41 -1.94 -0.44 0.30 119.30 118.63 2aas s MET 13 Ca -0.13 1.64 0.13 0.00 -1.71 0.00 0.00 55.69 55.63 2aas s MET 13 Cb 0.04 -3.61 0.46 0.00 2.01 0.00 0.00 34.83 33.73 2aas s MET 13 CO 0.18 -0.51 1.08 -0.25 -0.01 0.00 0.00 175.02 175.51 2aas n ASP 14 N 5.57 3.14 -0.02 3.03 9.92 -0.27 -4.92 116.55 133.00 2aas n ASP 14 Ca 0.12 -3.06 0.07 0.00 -0.53 0.00 0.00 54.79 51.38 2aas n ASP 14 Cb 0.46 -0.46 0.45 0.00 -0.64 0.00 0.00 41.12 40.94 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 2.61 0.43 0.47 -2.24 0.02 -1.74 -1.15 113.55 111.96 2aas h SER 15 Ca 0.10 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 2aas h SER 15 Cb 1.21 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 2aas h SER 15 CO 0.58 0.30 -0.34 0.77 -1.14 0.00 0.00 176.83 176.99 2aas h SER 16 N 0.50 0.00 -3.52 3.07 4.64 -1.92 -3.43 113.55 112.89 2aas h SER 16 Ca 0.19 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.84 2aas h SER 16 Cb 0.14 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.03 2aas h SER 16 CO -0.05 0.34 -0.68 0.42 -0.87 0.00 0.00 176.83 175.99 2aas s THR 17 N -4.06 3.78 0.12 2.95 -4.23 -0.43 -5.04 115.64 108.73 2aas s THR 17 Ca -0.02 -0.43 0.06 0.00 -1.18 0.00 0.00 61.69 60.11 2aas s THR 17 Cb 0.13 -2.58 -0.22 0.00 1.34 0.00 0.00 72.50 71.18 2aas s THR 17 CO 0.70 0.57 1.27 0.77 -0.54 0.00 0.00 174.62 177.38 2aas h SER 18 N 5.69 0.04 -4.69 3.99 4.64 -1.85 -3.42 113.55 117.95 2aas h SER 18 Ca -0.43 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2aas h SER 18 Cb 1.18 -0.01 -0.19 0.00 -0.31 0.00 0.00 62.40 63.06 2aas h SER 18 CO 0.55 1.03 0.33 0.00 -0.87 0.00 0.00 176.83 177.88 2aas s ALA 19 N -2.70 -1.81 -0.64 5.18 0.00 -1.26 -4.80 121.76 115.72 2aas s ALA 19 Ca 0.01 1.31 -0.26 0.00 0.00 0.00 0.00 51.96 53.02 2aas s ALA 19 Cb 0.10 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 2aas s ALA 19 CO 0.83 -0.41 2.09 0.00 0.00 0.00 0.00 175.76 178.27 2aas s ALA 20 N -1.53 1.78 -1.59 0.00 0.00 -1.26 -4.83 121.76 114.32 2aas s ALA 20 Ca -0.06 -0.62 0.12 0.00 0.00 0.00 0.00 51.96 51.40 2aas s ALA 20 Cb -0.00 -4.39 0.62 0.00 0.00 0.00 0.00 23.12 19.35 2aas s ALA 20 CO 0.04 -4.43 1.24 -1.13 0.00 0.00 0.00 175.76 171.48 2aas n SER 21 N 14.48 0.00 -3.61 0.00 3.41 -1.26 -4.71 113.62 121.93 2aas n SER 21 Ca 0.31 -0.02 -0.15 0.00 -0.26 0.00 0.00 58.87 58.75 2aas n SER 21 Cb 0.51 -0.21 -0.07 0.00 -0.26 0.00 0.00 64.21 64.19 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 -2.41 -0.44 0.15 4.04 0.15 -1.26 -5.03 113.70 108.89 2aas s SER 22 Ca 0.13 0.35 0.11 0.00 0.70 0.00 0.00 55.95 57.23 2aas s SER 22 Cb 0.08 0.45 0.56 0.00 -1.71 0.00 0.00 66.02 65.41 2aas s SER 22 CO 0.16 -0.60 1.33 -1.54 1.20 0.00 0.00 173.24 173.80 2aas n SER 23 N 0.85 0.27 -0.07 5.45 3.41 -1.26 -2.02 113.62 120.24 2aas n SER 23 Ca -0.20 0.62 0.05 0.00 -0.26 0.00 0.00 58.87 59.09 2aas n SER 23 Cb 0.58 -0.66 0.07 0.00 -0.26 0.00 0.00 64.21 63.94 2aas n SER 23 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2aas n ASN 24 N -1.85 1.93 -0.18 4.04 0.23 -1.26 -2.02 115.26 116.14 2aas n ASN 24 Ca -0.00 -2.51 -0.03 0.00 -0.53 0.00 0.00 54.58 51.51 2aas n ASN 24 Cb 0.03 -0.23 0.04 0.00 -2.08 0.00 0.00 39.78 37.53 2aas n ASN 24 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2aas h TYR 25 N 0.00 -0.46 -0.05 -2.53 3.20 -1.71 -1.88 116.97 113.54 2aas h TYR 25 Ca 0.00 0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.94 2aas h TYR 25 Cb 0.85 0.29 -0.00 0.00 1.54 0.00 0.00 36.73 39.41 2aas h TYR 25 CO 0.01 -0.29 0.06 0.00 -1.64 0.00 0.00 178.16 176.30 2aas h ASN 27 N 0.00 -0.99 0.17 0.00 4.21 -1.56 0.10 115.58 117.50 2aas h ASN 27 Ca 0.03 0.21 -0.29 0.00 1.21 0.00 0.00 56.30 57.45 2aas h ASN 27 Cb 0.15 0.52 0.01 0.00 -1.12 0.00 0.00 38.32 37.88 2aas h ASN 27 CO -0.00 -0.28 -1.41 -0.61 -1.29 0.00 0.00 177.43 173.84 2aas h GLN 28 N -0.14 0.36 -0.56 0.81 -0.00 -1.74 -3.37 115.11 110.47 2aas h GLN 28 Ca 0.24 -0.62 0.00 0.00 -0.00 0.00 0.00 58.65 58.28 2aas h GLN 28 Cb 0.53 0.23 -0.03 0.00 0.00 0.00 0.00 27.48 28.21 2aas h GLN 28 CO -0.65 1.29 0.35 1.98 0.00 0.00 0.00 178.83 181.81 2aas h MET 29 N -0.11 0.75 -0.70 1.69 4.05 -1.31 -2.10 114.93 117.21 2aas h MET 29 Ca -0.28 -0.06 0.10 0.00 -0.28 0.00 0.00 59.70 59.19 2aas h MET 29 Cb 1.92 -0.16 -0.07 0.00 -0.80 0.00 0.00 31.60 32.48 2aas h MET 29 CO 0.16 0.52 0.33 0.52 0.23 0.00 0.00 176.91 178.67 2aas h MET 30 N 0.76 0.54 0.10 0.39 2.86 -1.01 -2.16 114.93 116.42 2aas h MET 30 Ca 0.20 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2aas h MET 30 Cb -0.05 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.49 2aas h MET 30 CO -0.04 0.36 -0.05 0.87 1.06 0.00 0.00 176.91 179.11 2aas h LYS 31 N 0.56 -0.13 -0.95 1.72 1.57 -1.58 -2.46 116.57 115.30 2aas h LYS 31 Ca 0.35 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.22 2aas h LYS 31 Cb 0.40 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.67 2aas h LYS 31 CO -0.29 -0.09 0.62 0.77 -0.57 0.00 0.00 179.45 179.89 2aas h SER 32 N -0.14 0.95 -0.30 0.86 0.02 -1.00 -1.40 113.55 112.54 2aas h SER 32 Ca -0.01 0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.83 2aas h SER 32 Cb 0.11 -0.19 -0.08 0.00 0.14 0.00 0.00 62.40 62.39 2aas h SER 32 CO 0.02 0.59 0.16 0.54 -1.14 0.00 0.00 176.83 177.00 2aas n ARG 33 N -4.51 1.68 -0.30 3.45 5.12 -0.85 -4.89 116.66 116.36 2aas n ARG 33 Ca 0.15 -1.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.04 2aas n ARG 33 Cb 0.23 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 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 0.02 0.00 -0.33 0.55 4.13 -0.53 -4.67 115.26 114.43 2aas n ASN 34 Ca 0.17 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.40 2aas n ASN 34 Cb 0.81 -1.98 0.09 0.00 -1.54 0.00 0.00 39.78 37.16 2aas n ASN 34 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2aas h LEU 35 N 0.00 1.06 -2.14 3.41 3.38 -1.62 -1.87 115.31 117.54 2aas h LEU 35 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2aas h LEU 35 Cb 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.48 2aas h LEU 35 CO 0.00 0.81 0.00 0.35 0.09 0.00 0.00 178.44 179.69 2aas n THR 36 N -4.41 0.62 1.80 0.22 -2.24 -1.24 -4.32 114.28 104.72 2aas n THR 36 Ca 0.10 -0.73 0.15 0.00 -2.27 0.00 0.00 64.05 61.29 2aas n THR 36 Cb 0.05 0.62 0.87 0.00 -2.10 0.00 0.00 70.33 69.77 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 1.25 0.85 0.02 -0.78 4.76 -0.70 -3.78 118.16 119.78 2aas n LYS 37 Ca 0.20 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.62 2aas n LYS 37 Cb 0.53 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.21 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 -1.05 1.23 -4.06 4.39 9.92 -1.26 -5.03 116.55 120.68 2aas n ASP 38 Ca 0.21 0.17 -0.09 0.00 -0.53 0.00 0.00 54.79 54.55 2aas n ASP 38 Cb 0.13 -0.40 -0.09 0.00 -0.64 0.00 0.00 41.12 40.11 2aas n ASP 38 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2aas s ARG 39 N -2.17 0.91 -0.22 -1.24 0.52 -1.25 -5.11 118.95 110.40 2aas s ARG 39 Ca -0.06 -1.29 -0.29 0.00 -0.52 0.00 0.00 55.73 53.58 2aas s ARG 39 Cb 0.01 0.28 -0.03 0.00 0.52 0.00 0.00 34.95 35.72 2aas s ARG 39 CO 0.08 -0.27 1.76 0.00 0.02 0.00 0.00 175.30 176.89 2aas s LYS 41 N 5.06 4.36 0.15 0.00 2.20 -1.26 -4.99 119.74 125.27 2aas s LYS 41 Ca 0.78 1.67 -0.21 0.00 -0.36 0.00 0.00 55.97 57.85 2aas s LYS 41 Cb -0.27 -3.54 0.04 0.00 -1.51 0.00 0.00 37.83 32.55 2aas s LYS 41 CO 0.32 -0.42 1.65 -1.35 -0.36 0.00 0.00 175.35 175.18 2aas h PRO 42 N 7.39 -0.17 -3.40 4.03 0.11 -1.95 -3.42 132.00 134.58 2aas h PRO 42 Ca -0.35 0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.58 2aas h PRO 42 Cb 1.17 0.04 -0.26 0.00 0.11 0.00 0.00 31.00 32.05 2aas h PRO 42 CO 0.87 -0.11 -0.55 0.54 -0.21 0.00 0.00 178.00 178.54 2aas s VAL 43 N -6.13 0.01 0.01 3.15 0.11 -1.26 -0.80 120.40 115.49 2aas s VAL 43 Ca -0.14 -0.05 -0.28 0.00 -2.93 0.00 0.00 61.98 58.58 2aas s VAL 43 Cb 0.12 -0.22 0.07 0.00 -1.53 0.00 0.00 36.38 34.82 2aas s VAL 43 CO 0.69 -0.03 0.63 0.21 -3.33 0.00 0.00 175.10 173.27 2aas s ASN 44 N -0.02 -0.60 -0.13 3.54 2.47 -0.63 -5.04 114.94 114.52 2aas s ASN 44 Ca -0.01 0.47 0.02 0.00 0.42 0.00 0.00 52.86 53.76 2aas s ASN 44 Cb -0.01 0.54 -0.00 0.00 -1.45 0.00 0.00 41.25 40.32 2aas s ASN 44 CO 0.00 -0.70 -0.18 -0.89 -3.72 0.00 0.00 177.10 171.61 2aas s THR 45 N -1.93 2.49 0.23 -5.21 2.01 -1.26 -0.19 115.64 111.78 2aas s THR 45 Ca -0.08 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 2aas s THR 45 Cb -0.00 -2.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.44 2aas s THR 45 CO 0.03 0.53 0.46 -0.36 -0.69 0.00 0.00 174.62 174.60 2aas s PHE 46 N 0.59 3.48 -0.23 4.92 0.08 0.12 -4.22 117.98 122.72 2aas s PHE 46 Ca -0.10 0.50 0.00 0.00 0.12 0.00 0.00 56.93 57.45 2aas s PHE 46 Cb -0.16 -1.98 0.06 0.00 -0.57 0.00 0.00 43.02 40.37 2aas s PHE 46 CO 0.03 0.29 -0.02 0.08 -0.10 0.00 0.00 175.22 175.50 2aas s VAL 47 N -1.94 1.32 -0.99 -0.44 1.01 0.15 0.41 120.40 119.92 2aas s VAL 47 Ca 0.41 -1.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 2aas s VAL 47 Cb -0.11 -1.67 0.13 0.00 0.00 0.00 0.00 36.38 34.74 2aas s VAL 47 CO 0.29 -0.17 2.44 1.41 0.00 0.00 0.00 175.10 179.07 2aas n HIS 48 N 4.74 2.30 -4.10 5.22 8.25 0.41 -1.11 115.22 130.93 2aas n HIS 48 Ca -0.10 -2.48 -0.09 0.00 -0.26 0.00 0.00 57.72 54.78 2aas n HIS 48 Cb 0.44 -1.59 -0.10 0.00 1.12 0.00 0.00 29.99 29.86 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 -1.80 0.64 0.62 -0.41 0.41 -1.26 -4.65 118.70 112.26 2aas s GLU 49 Ca 0.54 -1.12 -0.18 0.00 -0.41 0.00 0.00 54.97 53.80 2aas s GLU 49 Cb 0.26 -0.03 -0.02 0.00 -1.78 0.00 0.00 34.13 32.57 2aas s GLU 49 CO -0.16 -0.05 1.21 -1.54 -0.49 0.00 0.00 175.26 174.24 2aas s SER 50 N -2.59 5.00 0.20 -0.19 1.04 -1.26 -3.83 113.70 112.07 2aas s SER 50 Ca 0.03 2.39 -0.10 0.00 0.48 0.00 0.00 55.95 58.75 2aas s SER 50 Cb 0.02 -2.60 0.24 0.00 0.10 0.00 0.00 66.02 63.78 2aas s SER 50 CO -0.05 -1.72 1.76 0.25 0.98 0.00 0.00 173.24 174.45 2aas h LEU 51 N 0.66 0.30 -0.58 2.42 5.85 -1.98 -2.18 115.31 119.80 2aas h LEU 51 Ca -0.50 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.39 2aas h LEU 51 Cb 1.30 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.26 2aas h LEU 51 CO 0.54 0.19 0.11 0.00 -0.34 0.00 0.00 178.44 178.95 2aas h ALA 52 N 1.37 0.67 0.00 1.25 0.00 -1.99 0.32 119.26 120.89 2aas h ALA 52 Ca 0.29 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 2aas h ALA 52 Cb 0.30 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2aas h ALA 52 CO -0.25 -0.31 -0.19 0.22 0.00 0.00 0.00 179.25 178.72 2aas h ASP 53 N 0.24 0.00 0.36 0.00 3.58 -1.79 -1.86 116.42 116.95 2aas h ASP 53 Ca 0.30 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.43 2aas h ASP 53 Cb 0.44 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 2aas h ASP 53 CO -0.39 0.19 -1.74 0.58 -2.88 0.00 0.00 179.24 175.00 2aas h VAL 54 N 0.00 0.89 -0.87 2.25 2.07 -0.61 -3.29 116.25 116.69 2aas h VAL 54 Ca -0.00 -2.62 0.15 0.00 0.82 0.00 0.00 66.70 65.05 2aas h VAL 54 Cb 0.43 2.58 -0.07 0.00 -1.52 0.00 0.00 31.29 32.71 2aas h VAL 54 CO 0.02 0.75 0.56 1.56 0.02 0.00 0.00 177.57 180.49 2aas h GLN 55 N 0.05 0.57 0.00 1.57 4.20 -0.19 -1.17 115.11 120.15 2aas h GLN 55 Ca -0.31 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.36 2aas h GLN 55 Cb 2.02 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.67 2aas h GLN 55 CO 0.11 0.38 0.04 0.00 -0.67 0.00 0.00 178.83 178.69 2aas h ALA 56 N 1.61 1.04 -0.02 3.87 0.00 -1.41 -1.95 119.26 122.40 2aas h ALA 56 Ca 0.44 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.12 2aas h ALA 56 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2aas h ALA 56 CO -0.19 -0.04 -0.92 0.28 0.00 0.00 0.00 179.25 178.39 2aas h VAL 57 N 0.00 1.38 0.00 0.00 2.07 -1.34 -3.19 116.25 115.17 2aas h VAL 57 Ca 0.00 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.15 2aas h VAL 57 Cb 0.08 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2aas h VAL 57 CO 0.00 0.71 0.05 0.00 0.02 0.00 0.00 177.57 178.36 2aas n SER 59 N -2.82 3.02 0.00 0.00 3.41 -1.20 -4.82 113.62 111.21 2aas n SER 59 Ca -0.02 -3.43 0.00 0.00 -0.26 0.00 0.00 58.87 55.16 2aas n SER 59 Cb 0.11 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 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 -0.91 0.00 -3.89 4.33 6.02 -0.59 -5.07 117.38 117.27 2aas n GLN 60 Ca 0.27 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 57.08 2aas n GLN 60 Cb 0.96 -0.02 -0.17 0.00 1.02 0.00 0.00 30.24 32.03 2aas n GLN 60 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2aas s LYS 61 N -0.05 0.34 0.27 -1.09 -2.85 -0.73 -5.01 119.74 110.62 2aas s LYS 61 Ca 0.00 0.11 -0.29 0.00 -1.00 0.00 0.00 55.97 54.78 2aas s LYS 61 Cb 0.00 -0.58 -0.09 0.00 -2.06 0.00 0.00 37.83 35.09 2aas s LYS 61 CO 0.00 -0.18 1.04 1.21 0.10 0.00 0.00 175.35 177.52 2aas s ASN 62 N 1.30 7.38 0.17 0.03 3.84 -1.26 -0.28 114.94 126.13 2aas s ASN 62 Ca -0.06 2.15 -0.03 0.00 0.21 0.00 0.00 52.86 55.13 2aas s ASN 62 Cb -0.13 -2.62 -0.03 0.00 -0.55 0.00 0.00 41.25 37.91 2aas s ASN 62 CO -0.02 -0.05 0.14 0.68 -2.79 0.00 0.00 177.10 175.06 2aas s VAL 63 N -1.19 0.05 -0.03 -5.21 -7.23 0.36 -4.87 120.40 102.28 2aas s VAL 63 Ca 0.44 -1.85 -0.23 0.00 -1.81 0.00 0.00 61.98 58.52 2aas s VAL 63 Cb -0.29 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 2aas s VAL 63 CO 0.37 -0.22 0.70 0.00 -0.31 0.00 0.00 175.10 175.64 2aas s ALA 64 N -4.08 3.37 0.61 1.32 0.00 -1.26 -2.13 121.76 119.57 2aas s ALA 64 Ca 0.29 0.15 -0.17 0.00 0.00 0.00 0.00 51.96 52.23 2aas s ALA 64 Cb 0.06 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 2aas s ALA 64 CO 0.06 -0.03 1.12 0.00 0.00 0.00 0.00 175.76 176.92 2aas n LYS 66 N -1.90 -0.06 0.05 0.00 4.76 -1.26 -0.11 118.16 119.63 2aas n LYS 66 Ca 0.11 1.31 0.13 0.00 -2.87 0.00 0.00 58.31 56.99 2aas n LYS 66 Cb 0.51 -2.27 0.49 0.00 -1.84 0.00 0.00 35.03 31.93 2aas n LYS 66 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2aas n ASN 67 N -5.18 0.36 0.00 4.39 6.94 -1.26 -4.91 115.26 115.59 2aas n ASN 67 Ca 0.31 0.54 0.00 0.00 -0.02 0.00 0.00 54.58 55.41 2aas n ASN 67 Cb 1.04 -0.64 0.00 0.00 -2.36 0.00 0.00 39.78 37.82 2aas n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2aas n GLY 68 N 1.07 1.27 3.74 4.83 0.00 0.84 -5.11 105.19 111.84 2aas n GLY 68 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.36 4.27 -0.12 1.61 1.11 -1.23 -4.80 119.66 120.13 2aas s GLN 69 Ca 0.00 0.41 0.00 0.00 0.01 0.00 0.00 55.36 55.78 2aas s GLN 69 Cb 0.00 -3.40 0.14 0.00 -1.01 0.00 0.00 33.01 28.74 2aas s GLN 69 CO 0.00 0.26 1.50 -2.37 0.01 0.00 0.00 175.29 174.69 2aas n THR 70 N 3.34 1.83 -2.22 -0.19 5.66 -1.26 -0.40 114.28 121.05 2aas n THR 70 Ca -0.09 -0.67 -0.24 0.00 -3.05 0.00 0.00 64.05 60.00 2aas n THR 70 Cb 0.52 -1.07 0.01 0.00 -1.55 0.00 0.00 70.33 68.24 2aas n THR 70 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2aas n ASN 71 N 0.41 4.72 -4.38 1.09 0.23 -1.24 -4.66 115.26 111.42 2aas n ASN 71 Ca 0.14 -3.68 -0.24 0.00 -0.53 0.00 0.00 54.58 50.27 2aas n ASN 71 Cb 0.69 -0.39 -0.11 0.00 -2.08 0.00 0.00 39.78 37.89 2aas n ASN 71 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2aas s TYR 73 N -1.96 0.00 0.05 0.00 1.51 -0.25 -0.48 117.35 116.22 2aas s TYR 73 Ca 0.19 0.01 0.05 0.00 -1.01 0.00 0.00 57.07 56.31 2aas s TYR 73 Cb -0.06 -0.02 -0.04 0.00 -0.11 0.00 0.00 41.96 41.73 2aas s TYR 73 CO 0.09 -0.07 -0.09 -1.14 -1.11 0.00 0.00 175.55 173.23 2aas s GLN 74 N -0.30 2.35 0.09 -0.62 0.74 0.62 -1.82 119.66 120.72 2aas s GLN 74 Ca -0.03 -0.87 -0.18 0.00 0.05 0.00 0.00 55.36 54.33 2aas s GLN 74 Cb -0.02 -2.40 -0.07 0.00 1.10 0.00 0.00 33.01 31.62 2aas s GLN 74 CO -0.00 0.56 0.56 -1.54 -0.55 0.00 0.00 175.29 174.31 2aas s SER 75 N -1.76 6.99 0.52 6.67 1.04 -1.17 -1.77 113.70 124.22 2aas s SER 75 Ca 0.19 1.21 0.28 0.00 0.48 0.00 0.00 55.95 58.11 2aas s SER 75 Cb -0.11 -2.34 1.39 0.00 0.10 0.00 0.00 66.02 65.06 2aas s SER 75 CO 0.10 0.24 2.03 1.88 0.98 0.00 0.00 173.24 178.47 2aas h TYR 76 N 4.30 0.00 -3.00 5.02 0.05 -1.94 -3.43 116.97 117.96 2aas h TYR 76 Ca -0.50 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 57.67 2aas h TYR 76 Cb 1.21 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.88 2aas h TYR 76 CO 0.67 0.13 -0.55 -1.54 -1.05 0.00 0.00 178.16 175.82 2aas s SER 77 N -6.08 5.86 0.51 3.88 1.04 -1.26 -5.10 113.70 112.55 2aas s SER 77 Ca -0.02 0.09 -0.20 0.00 0.48 0.00 0.00 55.95 56.30 2aas s SER 77 Cb 0.12 -1.67 -0.07 0.00 0.10 0.00 0.00 66.02 64.50 2aas s SER 77 CO 0.58 0.15 1.08 0.42 0.98 0.00 0.00 173.24 176.45 2aas s THR 78 N -1.49 3.52 0.09 2.02 -4.23 -1.26 -4.57 115.64 109.72 2aas s THR 78 Ca 0.32 0.95 0.08 0.00 -1.18 0.00 0.00 61.69 61.86 2aas s THR 78 Cb -0.12 -3.38 -0.03 0.00 1.34 0.00 0.00 72.50 70.30 2aas s THR 78 CO 0.25 -0.20 -0.21 -0.04 -0.54 0.00 0.00 174.62 173.87 2aas s MET 79 N -3.24 1.20 -0.57 3.99 -1.94 0.67 -4.83 119.30 114.57 2aas s MET 79 Ca 0.70 -1.10 -0.28 0.00 -1.71 0.00 0.00 55.69 53.30 2aas s MET 79 Cb -0.20 -1.43 0.01 0.00 2.01 0.00 0.00 34.83 35.22 2aas s MET 79 CO 0.23 0.34 1.52 0.45 -0.01 0.00 0.00 175.02 177.55 2aas s SER 80 N -1.70 5.94 0.02 3.03 0.15 -1.26 -1.43 113.70 118.47 2aas s SER 80 Ca 0.07 0.31 0.08 0.00 0.70 0.00 0.00 55.95 57.11 2aas s SER 80 Cb -0.10 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.65 2aas s SER 80 CO 0.04 -1.85 -0.24 0.27 1.20 0.00 0.00 173.24 172.65 2aas s ILE 81 N 6.68 1.96 -0.35 6.45 -5.25 -0.06 -0.44 121.20 130.19 2aas s ILE 81 Ca 0.56 -1.24 0.01 0.00 -0.99 0.00 0.00 60.65 58.99 2aas s ILE 81 Cb -0.12 -1.67 0.10 0.00 2.95 0.00 0.00 42.46 43.72 2aas s ILE 81 CO 0.24 0.39 0.09 -0.89 -1.79 0.00 0.00 174.94 172.97 2aas s THR 82 N -0.73 2.67 -0.06 8.37 2.01 0.17 -0.90 115.64 127.16 2aas s THR 82 Ca 0.10 -2.13 -0.24 0.00 0.31 0.00 0.00 61.69 59.74 2aas s THR 82 Cb -0.10 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 2aas s THR 82 CO 0.01 -0.55 0.71 -1.81 -0.69 0.00 0.00 174.62 172.28 2aas s ASP 83 N 1.25 7.00 -0.07 3.53 1.01 -0.37 0.14 116.67 129.17 2aas s ASP 83 Ca 0.07 1.20 0.01 0.00 0.71 0.00 0.00 52.55 54.54 2aas s ASP 83 Cb -0.20 -2.42 0.02 0.00 1.01 0.00 0.00 42.92 41.33 2aas s ASP 83 CO -0.06 -0.11 -0.07 0.00 0.21 0.00 0.00 175.17 175.14 2aas s ARG 85 N 1.14 1.46 0.30 0.00 6.06 -0.38 -1.61 118.95 125.93 2aas s ARG 85 Ca -0.07 -0.53 -0.29 0.00 -2.50 0.00 0.00 55.73 52.34 2aas s ARG 85 Cb -0.14 -1.32 -0.10 0.00 0.06 0.00 0.00 34.95 33.45 2aas s ARG 85 CO -0.01 0.24 1.21 -2.00 -2.50 0.00 0.00 175.30 172.24 2aas s GLU 86 N -0.04 4.49 0.40 5.12 2.12 0.02 0.10 118.70 130.91 2aas s GLU 86 Ca -0.01 2.02 -0.07 0.00 0.36 0.00 0.00 54.97 57.28 2aas s GLU 86 Cb -0.09 -3.13 -0.05 0.00 0.26 0.00 0.00 34.13 31.12 2aas s GLU 86 CO 0.01 -0.00 0.71 0.95 -0.54 0.00 0.00 175.26 176.39 2aas s THR 87 N -1.12 4.91 0.37 -1.70 -4.23 0.02 -4.83 115.64 109.05 2aas s THR 87 Ca 0.47 0.26 0.07 0.00 -1.18 0.00 0.00 61.69 61.31 2aas s THR 87 Cb -0.36 -3.79 0.30 0.00 1.34 0.00 0.00 72.50 69.99 2aas s THR 87 CO 0.47 -0.60 1.95 1.23 -0.54 0.00 0.00 174.62 177.13 2aas h GLY 88 N 0.94 0.95 -4.24 3.99 0.00 -1.97 -2.97 103.07 99.77 2aas h GLY 88 Ca -0.47 -0.29 -0.42 0.00 0.00 0.00 0.00 47.33 46.15 2aas h GLY 88 CO 0.63 0.19 0.29 -1.14 0.00 0.00 0.00 176.54 176.52 2aas n SER 89 N -4.49 6.29 -4.47 0.19 3.41 -1.26 -4.88 113.62 108.41 2aas n SER 89 Ca 0.11 -3.07 -0.39 0.00 -0.26 0.00 0.00 58.87 55.26 2aas n SER 89 Cb 0.28 -1.22 -0.11 0.00 -0.26 0.00 0.00 64.21 62.89 2aas n SER 89 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2aas s SER 90 N 0.56 5.74 -0.00 4.04 0.01 -1.12 -4.39 113.70 118.54 2aas s SER 90 Ca 0.54 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 57.32 2aas s SER 90 Cb 0.34 -2.05 -0.03 0.00 0.21 0.00 0.00 66.02 64.49 2aas s SER 90 CO -0.15 -0.21 -0.05 -0.75 0.41 0.00 0.00 173.24 172.49 2aas s LYS 91 N 1.65 2.63 0.06 12.44 2.47 -1.25 -4.90 119.74 132.84 2aas s LYS 91 Ca 0.05 -0.68 -0.30 0.00 -1.56 0.00 0.00 55.97 53.48 2aas s LYS 91 Cb -0.17 -2.55 -0.05 0.00 -1.46 0.00 0.00 37.83 33.60 2aas s LYS 91 CO 0.08 0.61 0.96 -0.47 0.16 0.00 0.00 175.35 176.70 2aas s TYR 92 N -1.01 3.75 -2.36 4.03 5.04 -1.26 -0.79 117.35 124.75 2aas s TYR 92 Ca 0.17 1.75 0.22 0.00 -2.44 0.00 0.00 57.07 56.77 2aas s TYR 92 Cb -0.11 -3.08 0.64 0.00 0.35 0.00 0.00 41.96 39.76 2aas s TYR 92 CO 0.08 0.12 1.50 -0.35 -1.34 0.00 0.00 175.55 175.55 2aas n PRO 93 N 3.25 1.97 -2.28 4.97 -0.04 -1.26 -4.98 135.00 136.62 2aas n PRO 93 Ca 0.04 -1.45 -0.42 0.00 -0.04 0.00 0.00 63.50 61.63 2aas n PRO 93 Cb 0.50 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.68 6.01 -4.82 3.54 6.94 0.03 -4.80 115.26 122.84 2aas n ASN 94 Ca 0.17 -3.14 -0.33 0.00 -0.02 0.00 0.00 54.58 51.26 2aas n ASN 94 Cb 0.42 -1.43 -0.06 0.00 -2.36 0.00 0.00 39.78 36.34 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 -2.27 2.73 -0.02 0.00 0.00 -1.26 -4.50 121.76 116.44 2aas s ALA 96 Ca 0.61 -0.96 0.07 0.00 0.00 0.00 0.00 51.96 51.68 2aas s ALA 96 Cb -0.09 -1.40 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 2aas s ALA 96 CO 0.17 0.05 -0.21 0.71 0.00 0.00 0.00 175.76 176.48 2aas s TYR 97 N 0.67 1.92 -0.67 0.00 1.51 -1.26 -0.80 117.35 118.72 2aas s TYR 97 Ca -0.05 -0.37 -0.27 0.00 -1.01 0.00 0.00 57.07 55.37 2aas s TYR 97 Cb -0.15 -1.23 0.03 0.00 -0.11 0.00 0.00 41.96 40.49 2aas s TYR 97 CO 0.02 -0.04 1.27 0.15 -1.11 0.00 0.00 175.55 175.84 2aas s LYS 98 N -0.49 3.31 -0.20 -0.62 1.02 0.12 -4.47 119.74 118.41 2aas s LYS 98 Ca 0.08 0.00 -0.08 0.00 0.02 0.00 0.00 55.97 55.99 2aas s LYS 98 Cb -0.08 -4.12 -0.04 0.00 -0.52 0.00 0.00 37.83 33.07 2aas s LYS 98 CO -0.01 -1.97 0.08 0.99 -0.92 0.00 0.00 175.35 173.52 2aas s THR 99 N 5.53 4.81 -0.09 2.17 2.01 -0.85 -1.24 115.64 127.97 2aas s THR 99 Ca 0.40 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.42 2aas s THR 99 Cb -0.08 -3.19 -0.00 0.00 0.01 0.00 0.00 72.50 69.24 2aas s THR 99 CO 0.20 0.43 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.43 2aas s THR 100 N 0.65 2.14 -0.31 -0.82 2.01 0.08 -4.49 115.64 114.90 2aas s THR 100 Ca 0.04 -1.01 -0.13 0.00 0.31 0.00 0.00 61.69 60.91 2aas s THR 100 Cb -0.13 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 2aas s THR 100 CO 0.01 0.56 0.25 -1.58 -0.69 0.00 0.00 174.62 173.18 2aas s GLN 101 N 0.17 3.75 0.00 4.92 -0.44 -1.26 -1.23 119.66 125.57 2aas s GLN 101 Ca -0.13 -0.40 0.03 0.00 -2.50 0.00 0.00 55.36 52.35 2aas s GLN 101 Cb -0.16 -3.73 -0.01 0.00 -1.64 0.00 0.00 33.01 27.47 2aas s GLN 101 CO 0.07 -0.33 -0.08 0.00 0.50 0.00 0.00 175.29 175.45 2aas s ALA 102 N 1.82 0.67 -0.60 1.58 0.00 -0.08 -5.03 121.76 120.13 2aas s ALA 102 Ca 0.08 -0.41 -0.14 0.00 0.00 0.00 0.00 51.96 51.50 2aas s ALA 102 Cb -0.17 -0.15 0.15 0.00 0.00 0.00 0.00 23.12 22.96 2aas s ALA 102 CO 0.11 0.15 0.53 1.21 0.00 0.00 0.00 175.76 177.76 2aas s ASN 103 N -0.37 6.20 0.08 0.00 3.84 -1.26 -0.88 114.94 122.54 2aas s ASN 103 Ca 0.02 -2.09 0.01 0.00 0.21 0.00 0.00 52.86 51.01 2aas s ASN 103 Cb -0.04 -2.16 -0.04 0.00 -0.55 0.00 0.00 41.25 38.47 2aas s ASN 103 CO -0.00 -0.73 -0.06 -0.54 -2.79 0.00 0.00 177.10 172.97 2aas s LYS 104 N 1.12 0.71 0.26 0.43 1.02 -0.51 -4.75 119.74 118.02 2aas s LYS 104 Ca 0.08 -1.17 -0.27 0.00 0.02 0.00 0.00 55.97 54.63 2aas s LYS 104 Cb -0.24 -0.14 -0.09 0.00 -0.52 0.00 0.00 37.83 36.84 2aas s LYS 104 CO -0.01 -0.02 0.90 -1.01 -0.92 0.00 0.00 175.35 174.29 2aas s HIS 105 N -3.14 3.84 0.06 3.18 3.76 0.28 -0.24 115.29 123.02 2aas s HIS 105 Ca 0.06 1.78 0.05 0.00 -0.15 0.00 0.00 55.06 56.80 2aas s HIS 105 Cb 0.02 -2.90 -0.04 0.00 1.11 0.00 0.00 32.58 30.78 2aas s HIS 105 CO -0.04 0.37 -0.08 0.96 -0.85 0.00 0.00 174.74 175.09 2aas s ILE 106 N -1.36 3.49 -0.32 0.60 -4.36 -1.26 -0.04 121.20 117.95 2aas s ILE 106 Ca 0.44 -1.05 -0.06 0.00 -0.26 0.00 0.00 60.65 59.72 2aas s ILE 106 Cb -0.22 -2.58 0.03 0.00 1.25 0.00 0.00 42.46 40.94 2aas s ILE 106 CO 0.27 0.23 0.08 -0.63 0.24 0.00 0.00 174.94 175.14 2aas s ILE 107 N -1.12 3.73 -0.08 8.37 1.09 0.62 -3.04 121.20 130.77 2aas s ILE 107 Ca 0.20 -1.02 0.00 0.00 -1.10 0.00 0.00 60.65 58.72 2aas s ILE 107 Cb -0.11 -3.05 -0.03 0.00 -1.06 0.00 0.00 42.46 38.21 2aas s ILE 107 CO 0.11 -0.09 -0.07 0.68 -0.10 0.00 0.00 174.94 175.48 2aas s VAL 108 N 1.41 3.72 -0.20 2.92 -7.23 -0.75 -1.60 120.40 118.67 2aas s VAL 108 Ca -0.01 -0.47 -0.24 0.00 -1.81 0.00 0.00 61.98 59.46 2aas s VAL 108 Cb -0.19 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 2aas s VAL 108 CO 0.02 0.58 0.76 0.00 -0.31 0.00 0.00 175.10 176.16 2aas s ALA 109 N -0.63 3.56 0.11 1.32 0.00 0.52 -1.09 121.76 125.55 2aas s ALA 109 Ca 0.09 -0.12 0.10 0.00 0.00 0.00 0.00 51.96 52.04 2aas s ALA 109 Cb -0.12 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 2aas s ALA 109 CO 0.02 -0.70 -0.22 0.00 0.00 0.00 0.00 175.76 174.86 2aas s GLU 111 N -1.97 1.09 0.39 0.00 2.12 -0.61 -4.93 118.70 114.79 2aas s GLU 111 Ca 0.16 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 54.96 2aas s GLU 111 Cb -0.10 0.42 0.00 0.00 0.26 0.00 0.00 34.13 34.70 2aas s GLU 111 CO 0.07 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 174.71 2aas n GLY 112 N -0.38 -1.85 2.64 -1.50 0.00 -1.26 -0.37 105.19 102.47 2aas n GLY 112 Ca -0.08 -1.81 -0.24 0.00 0.00 0.00 0.00 46.02 43.89 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 -3.98 2.16 0.52 1.61 2.47 -1.26 -3.01 114.94 113.44 2aas s ASN 113 Ca 0.00 -0.56 -0.20 0.00 0.42 0.00 0.00 52.86 52.52 2aas s ASN 113 Cb 0.00 -0.07 -0.07 0.00 -1.45 0.00 0.00 41.25 39.66 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 2.19 3.55 -0.31 0.43 0.04 -1.26 -5.04 135.00 134.60 2aas s PRO 114 Ca 0.04 1.53 -0.28 0.00 0.04 0.00 0.00 61.00 62.33 2aas s PRO 114 Cb -0.16 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2aas s PRO 114 CO -0.12 -0.67 2.10 -0.47 0.04 0.00 0.00 177.00 177.88 2aas s TYR 115 N -1.83 1.37 -0.02 0.56 5.04 -1.16 -4.95 117.35 116.36 2aas s TYR 115 Ca 0.70 0.72 0.05 0.00 -2.44 0.00 0.00 57.07 56.10 2aas s TYR 115 Cb -0.21 -3.95 -0.01 0.00 0.35 0.00 0.00 41.96 38.14 2aas s TYR 115 CO 0.25 -3.43 -0.17 0.14 -1.34 0.00 0.00 175.55 171.00 2aas s VAL 116 N 8.46 1.33 -0.04 3.14 -7.23 0.50 -4.84 120.40 121.73 2aas s VAL 116 Ca 0.92 -0.71 -0.34 0.00 -1.81 0.00 0.00 61.98 60.04 2aas s VAL 116 Cb -0.26 -1.11 -0.12 0.00 0.56 0.00 0.00 36.38 35.45 2aas s VAL 116 CO 0.33 0.38 1.86 -2.65 -0.31 0.00 0.00 175.10 174.70 2aas n PRO 117 N 2.71 2.28 -0.09 4.82 -0.02 -1.26 -1.57 135.00 141.86 2aas n PRO 117 Ca -0.15 0.83 -0.10 0.00 -2.02 0.00 0.00 63.50 62.07 2aas n PRO 117 Cb 0.54 -2.69 -0.14 0.00 -0.02 0.00 0.00 33.50 31.19 2aas n PRO 117 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2aas n VAL 118 N 5.00 1.26 -3.91 -1.45 0.24 0.60 -4.46 118.33 115.62 2aas n VAL 118 Ca 0.22 -0.76 -0.10 0.00 -2.04 0.00 0.00 64.34 61.65 2aas n VAL 118 Cb 0.31 -0.57 -0.10 0.00 -1.47 0.00 0.00 33.84 32.01 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 -2.44 0.12 -0.11 6.34 3.76 -1.11 -3.31 115.29 118.53 2aas s HIS 119 Ca -0.11 -0.28 -0.03 0.00 -0.15 0.00 0.00 55.06 54.49 2aas s HIS 119 Cb 0.06 -0.10 -0.03 0.00 1.11 0.00 0.00 32.58 33.62 2aas s HIS 119 CO 0.73 -0.27 0.01 0.12 -0.85 0.00 0.00 174.74 174.48 2aas s PHE 120 N -1.55 3.16 0.00 1.40 2.19 -1.26 -0.35 117.98 121.56 2aas s PHE 120 Ca -0.14 0.09 -0.00 0.00 0.33 0.00 0.00 56.93 57.21 2aas s PHE 120 Cb -0.07 -1.87 -0.00 0.00 -1.31 0.00 0.00 43.02 39.77 2aas s PHE 120 CO 0.00 0.33 -0.00 -3.47 1.83 0.00 0.00 175.22 173.92 2aas n ASP 121 N 2.61 0.03 -4.15 6.13 2.03 -0.63 -4.96 116.55 117.62 2aas n ASP 121 Ca -0.18 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 54.99 2aas n ASP 121 Cb 0.53 -0.09 -0.11 0.00 -0.72 0.00 0.00 41.12 40.73 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 -2.17 0.97 -0.09 -1.67 0.00 -1.21 -5.02 121.76 112.58 2aas s ALA 122 Ca -0.00 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.89 2aas s ALA 122 Cb 0.00 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.17 2aas s ALA 122 CO 0.00 -0.04 -0.16 0.45 0.00 0.00 0.00 175.76 176.01 2aas s SER 123 N -2.25 2.29 0.00 0.00 0.15 -1.26 -0.28 113.70 112.35 2aas s SER 123 Ca 0.02 -0.40 0.10 0.00 0.70 0.00 0.00 55.95 56.37 2aas s SER 123 Cb -0.04 -1.05 0.08 0.00 -1.71 0.00 0.00 66.02 63.30 2aas s SER 123 CO -0.00 0.06 0.81 0.55 1.20 0.00 0.00 173.24 175.85