#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 9rat s GLU 2 N 0.00 3.91 0.65 -1.58 2.12 -1.26 -4.98 118.70 117.56 9rat s GLU 2 Ca 0.00 2.25 -0.11 0.00 0.36 0.00 0.00 54.97 57.47 9rat s GLU 2 Cb 0.00 -2.75 -0.02 0.00 0.26 0.00 0.00 34.13 31.62 9rat s GLU 2 CO 0.00 -0.58 1.04 0.95 -0.54 0.00 0.00 175.26 176.14 9rat s THR 3 N -1.23 4.41 0.32 -1.70 -4.23 -1.26 -4.84 115.64 107.11 9rat s THR 3 Ca 0.58 0.78 0.01 0.00 -1.18 0.00 0.00 61.69 61.87 9rat s THR 3 Cb -0.40 -3.70 0.22 0.00 1.34 0.00 0.00 72.50 69.96 9rat s THR 3 CO 0.52 -1.02 1.94 0.00 -0.54 0.00 0.00 174.62 175.51 9rat h ALA 4 N -0.47 1.41 -0.24 3.99 0.00 -1.93 0.49 119.26 122.51 9rat h ALA 4 Ca -0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 9rat h ALA 4 Cb 1.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 9rat h ALA 4 CO 0.61 0.48 0.10 0.00 0.00 0.00 0.00 179.25 180.44 9rat h ALA 5 N 1.50 0.32 -0.01 0.00 0.00 -1.88 -1.21 119.26 117.98 9rat h ALA 5 Ca 0.21 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 9rat h ALA 5 Cb 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 9rat h ALA 5 CO -0.03 -0.10 -0.61 0.00 0.00 0.00 0.00 179.25 178.51 9rat h ALA 6 N 0.95 0.97 -0.23 0.00 0.00 -1.76 -2.73 119.26 116.46 9rat h ALA 6 Ca 0.08 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 9rat h ALA 6 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 9rat h ALA 6 CO -0.01 0.76 0.09 -0.22 0.00 0.00 0.00 179.25 179.87 9rat h LYS 7 N 0.02 0.35 -0.52 0.00 3.64 0.16 -1.52 116.57 118.70 9rat h LYS 7 Ca -0.01 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 9rat h LYS 7 Cb 1.08 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.81 9rat h LYS 7 CO 0.08 0.39 0.29 0.35 -2.27 0.00 0.00 179.45 178.30 9rat h PHE 8 N 0.23 0.55 -0.74 1.91 3.04 -1.10 0.22 116.94 121.03 9rat h PHE 8 Ca 0.08 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.05 9rat h PHE 8 Cb 0.17 -0.17 -0.04 0.00 2.56 0.00 0.00 35.95 38.48 9rat h PHE 8 CO -0.01 0.30 0.49 0.93 -2.02 0.00 0.00 178.31 177.99 9rat h GLU 9 N 0.58 0.98 0.28 1.11 5.08 -1.16 0.21 114.58 121.66 9rat h GLU 9 Ca 0.22 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 9rat h GLU 9 Cb 0.07 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 9rat h GLU 9 CO -0.12 0.65 -0.15 -0.09 -1.00 0.00 0.00 179.01 178.31 9rat h ARG 10 N 1.01 -0.38 0.00 2.33 2.43 -0.85 -0.36 114.38 118.56 9rat h ARG 10 Ca 0.27 0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 59.27 9rat h ARG 10 Cb -0.11 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 9rat h ARG 10 CO -0.06 -0.25 -0.88 1.96 -1.51 0.00 0.00 179.97 179.23 9rat h GLN 11 N -0.39 0.22 0.00 0.20 4.20 -0.85 -3.40 115.11 115.08 9rat h GLN 11 Ca -0.03 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.44 9rat h GLN 11 Cb 0.31 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.16 9rat h GLN 11 CO 0.05 0.96 0.00 0.72 -0.67 0.00 0.00 178.83 179.89 9rat n HIS 12 N -3.67 0.00 -4.41 2.96 8.25 0.74 -4.73 115.22 114.36 9rat n HIS 12 Ca -0.04 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.08 9rat n HIS 12 Cb 0.80 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.80 9rat n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 9rat s MET 13 N -0.48 3.41 -0.44 -0.41 -1.94 -0.15 0.19 119.30 119.48 9rat s MET 13 Ca 0.00 -0.49 0.06 0.00 -1.71 0.00 0.00 55.69 53.56 9rat s MET 13 Cb 0.00 -2.86 0.22 0.00 2.01 0.00 0.00 34.83 34.20 9rat s MET 13 CO 0.00 0.41 0.49 -3.47 -0.01 0.00 0.00 175.02 172.44 9rat n ASP 14 N 3.03 0.47 0.00 3.03 2.03 -0.07 -4.85 116.55 120.20 9rat n ASP 14 Ca -0.18 -2.70 0.06 0.00 0.52 0.00 0.00 54.79 52.50 9rat n ASP 14 Cb 0.53 -0.62 0.29 0.00 -0.72 0.00 0.00 41.12 40.59 9rat n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 9rat n SER 15 N 1.79 0.00 0.13 1.67 7.64 -1.26 -3.83 113.62 119.77 9rat n SER 15 Ca 0.24 0.44 0.13 0.00 1.01 0.00 0.00 58.87 60.69 9rat n SER 15 Cb 0.49 -0.47 0.30 0.00 -1.01 0.00 0.00 64.21 63.52 9rat n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 9rat h SER 16 N 0.00 0.00 -4.36 6.43 4.64 -1.93 -3.46 113.55 114.87 9rat h SER 16 Ca 0.00 -0.03 -0.27 0.00 -0.47 0.00 0.00 61.79 61.03 9rat h SER 16 Cb 0.21 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.06 9rat h SER 16 CO 0.00 0.01 -0.73 0.42 -0.87 0.00 0.00 176.83 175.66 9rat s THR 17 N -3.15 0.34 -0.56 2.95 -4.23 -1.25 -5.04 115.64 104.70 9rat s THR 17 Ca 0.09 -0.60 0.24 0.00 -1.18 0.00 0.00 61.69 60.24 9rat s THR 17 Cb 0.10 -0.37 0.14 0.00 1.34 0.00 0.00 72.50 73.71 9rat s THR 17 CO 0.64 -0.18 1.42 0.77 -0.54 0.00 0.00 174.62 176.73 9rat h SER 18 N 5.28 0.00 -5.22 3.99 4.64 -1.86 -3.43 113.55 116.94 9rat h SER 18 Ca -0.31 -0.09 0.16 0.00 -0.47 0.00 0.00 61.79 61.07 9rat h SER 18 Cb 1.20 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.21 9rat h SER 18 CO 0.45 0.05 0.45 0.00 -0.87 0.00 0.00 176.83 176.91 9rat s ALA 19 N -3.19 -1.62 -0.11 5.18 0.00 -1.26 -4.84 121.76 115.92 9rat s ALA 19 Ca 0.06 0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 9rat s ALA 19 Cb 0.11 0.65 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 9rat s ALA 19 CO 0.70 -1.00 1.19 0.00 0.00 0.00 0.00 175.76 176.64 9rat s ALA 20 N -3.35 3.55 -2.55 0.00 0.00 -1.26 -4.95 121.76 113.20 9rat s ALA 20 Ca 0.11 0.51 0.25 0.00 0.00 0.00 0.00 51.96 52.83 9rat s ALA 20 Cb -0.02 -3.54 0.75 0.00 0.00 0.00 0.00 23.12 20.31 9rat s ALA 20 CO 0.01 -0.90 1.57 -1.13 0.00 0.00 0.00 175.76 175.32 9rat n SER 21 N 5.70 2.02 -3.49 0.00 3.41 -1.26 -4.96 113.62 115.04 9rat n SER 21 Ca 0.12 -1.70 -0.13 0.00 -0.26 0.00 0.00 58.87 56.90 9rat n SER 21 Cb 0.46 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 9rat n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 9rat s SER 22 N -1.85 -0.51 0.45 4.04 1.04 -1.26 -5.04 113.70 110.56 9rat s SER 22 Ca 0.35 0.09 0.31 0.00 0.48 0.00 0.00 55.95 57.17 9rat s SER 22 Cb 0.20 0.55 1.52 0.00 0.10 0.00 0.00 66.02 68.40 9rat s SER 22 CO 0.31 -0.86 1.93 0.77 0.98 0.00 0.00 173.24 176.37 9rat h SER 23 N 2.33 0.00 -0.11 7.02 4.64 -1.93 -1.62 113.55 123.89 9rat h SER 23 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 9rat h SER 23 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 9rat h SER 23 CO 0.40 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.95 9rat n ASN 24 N -2.63 1.36 -0.18 4.97 3.02 -1.26 -4.32 115.26 116.22 9rat n ASN 24 Ca -0.01 -1.60 -0.01 0.00 -0.03 0.00 0.00 54.58 52.93 9rat n ASN 24 Cb 0.13 -0.07 0.08 0.00 -0.61 0.00 0.00 39.78 39.32 9rat n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 9rat h TYR 25 N 1.88 -0.01 -0.31 3.10 3.20 -1.69 -1.00 116.97 122.14 9rat h TYR 25 Ca 0.00 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 9rat h TYR 25 Cb 0.41 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 9rat h TYR 25 CO 0.07 -0.12 0.11 0.00 -1.64 0.00 0.00 178.16 176.57 9rat h ASN 27 N 0.34 0.72 -0.17 0.00 2.35 -1.50 0.91 115.58 118.23 9rat h ASN 27 Ca 0.10 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 9rat h ASN 27 Cb 0.22 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 9rat h ASN 27 CO -0.01 0.60 -0.09 1.56 -1.65 0.00 0.00 177.43 177.85 9rat h GLN 28 N 0.78 0.36 -0.12 0.81 4.20 -0.90 -3.06 115.11 117.18 9rat h GLN 28 Ca 0.20 -0.16 -0.19 0.00 0.06 0.00 0.00 58.65 58.56 9rat h GLN 28 Cb 0.03 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.81 9rat h GLN 28 CO -0.03 0.67 -0.67 0.52 -0.67 0.00 0.00 178.83 178.65 9rat h MET 29 N 0.04 0.67 -0.32 1.46 2.86 -0.36 -2.19 114.93 117.09 9rat h MET 29 Ca 0.04 -0.56 -0.06 0.00 -2.06 0.00 0.00 59.70 57.06 9rat h MET 29 Cb 0.56 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 9rat h MET 29 CO 0.03 1.17 -0.07 0.52 1.06 0.00 0.00 176.91 179.62 9rat h MET 30 N 0.35 0.52 0.59 1.72 2.86 0.80 -2.45 114.93 119.33 9rat h MET 30 Ca -0.05 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 9rat h MET 30 Cb 1.31 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.91 9rat h MET 30 CO 0.14 0.60 -0.29 -0.22 1.06 0.00 0.00 176.91 178.20 9rat h LYS 31 N 0.49 -0.77 0.00 1.72 3.64 -1.48 -1.52 116.57 118.65 9rat h LYS 31 Ca 0.10 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 9rat h LYS 31 Cb 0.43 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 9rat h LYS 31 CO 0.02 -0.51 0.00 -1.13 -2.27 0.00 0.00 179.45 175.56 9rat n SER 32 N -5.31 0.30 -0.70 4.20 3.41 -0.83 -0.17 113.62 114.52 9rat n SER 32 Ca -0.10 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.25 9rat n SER 32 Cb 0.32 -0.66 0.26 0.00 -0.26 0.00 0.00 64.21 63.87 9rat n SER 32 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 9rat n ARG 33 N -1.87 1.90 -1.76 4.33 5.12 -0.93 -4.95 116.66 118.50 9rat n ARG 33 Ca 0.01 -1.41 -0.10 0.00 -1.93 0.00 0.00 57.85 54.41 9rat n ARG 33 Cb 0.10 -1.47 -0.02 0.00 -1.16 0.00 0.00 32.46 29.90 9rat n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 9rat n ASN 34 N 0.68 -3.85 -0.01 0.55 4.13 0.76 -4.85 115.26 112.67 9rat n ASN 34 Ca 0.15 0.12 0.14 0.00 1.68 0.00 0.00 54.58 56.68 9rat n ASN 34 Cb 0.49 -2.69 0.67 0.00 -1.54 0.00 0.00 39.78 36.71 9rat n ASN 34 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 9rat n LEU 35 N -1.35 0.08 -0.74 3.41 4.77 -0.58 -3.23 117.00 119.37 9rat n LEU 35 Ca -0.11 0.30 0.08 0.00 -0.03 0.00 0.00 56.01 56.25 9rat n LEU 35 Cb 0.47 -0.34 0.23 0.00 -2.33 0.00 0.00 43.42 41.45 9rat n LEU 35 CO 0.15 0.02 0.68 0.35 -1.33 0.00 0.00 177.39 177.25 9rat n THR 36 N -1.32 2.04 0.43 -5.08 -2.24 -1.24 -3.64 114.28 103.23 9rat n THR 36 Ca 0.12 -1.79 -0.19 0.00 -2.27 0.00 0.00 64.05 59.92 9rat n THR 36 Cb 0.28 -0.13 -0.09 0.00 -2.10 0.00 0.00 70.33 68.28 9rat n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 9rat h LYS 37 N 1.58 -1.05 0.00 -0.78 3.64 -1.89 -3.32 116.57 114.74 9rat h LYS 37 Ca 0.00 0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 9rat h LYS 37 Cb 1.27 0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 33.31 9rat h LYS 37 CO 0.16 -0.70 -1.62 -0.25 -2.27 0.00 0.00 179.45 174.77 9rat n ASP 38 N -5.56 0.54 -3.70 4.20 8.00 -1.26 -5.04 116.55 113.74 9rat n ASP 38 Ca -0.15 0.23 -0.03 0.00 0.71 0.00 0.00 54.79 55.56 9rat n ASP 38 Cb 0.44 0.73 -0.01 0.00 -0.02 0.00 0.00 41.12 42.26 9rat n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 9rat s ARG 39 N -3.06 0.93 -0.21 -1.24 1.70 -1.25 -5.11 118.95 110.71 9rat s ARG 39 Ca -0.05 -0.50 -0.29 0.00 -0.47 0.00 0.00 55.73 54.42 9rat s ARG 39 Cb 0.10 0.33 -0.00 0.00 -0.57 0.00 0.00 34.95 34.80 9rat s ARG 39 CO 0.83 -0.43 1.14 0.00 -1.08 0.00 0.00 175.30 175.77 9rat s LYS 41 N 3.37 4.26 0.30 0.00 2.20 -1.24 -4.86 119.74 123.77 9rat s LYS 41 Ca 0.49 1.88 -0.01 0.00 -0.36 0.00 0.00 55.97 57.97 9rat s LYS 41 Cb -0.18 -3.70 0.47 0.00 -1.51 0.00 0.00 37.83 32.91 9rat s LYS 41 CO 0.10 -0.64 1.92 -1.00 -0.36 0.00 0.00 175.35 175.37 9rat h PRO 42 N 8.19 0.93 -2.83 4.03 0.13 -1.94 -3.44 132.00 137.08 9rat h PRO 42 Ca -0.34 -0.11 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 9rat h PRO 42 Cb 1.15 -0.18 -0.23 0.00 0.13 0.00 0.00 31.00 31.87 9rat h PRO 42 CO 0.93 0.69 -0.25 0.08 -0.23 0.00 0.00 178.00 179.22 9rat s VAL 43 N -5.60 0.01 -0.16 1.56 1.01 -1.26 -0.28 120.40 115.69 9rat s VAL 43 Ca -0.10 -0.10 -0.28 0.00 0.00 0.00 0.00 61.98 61.49 9rat s VAL 43 Cb 0.17 -0.57 0.08 0.00 0.00 0.00 0.00 36.38 36.06 9rat s VAL 43 CO 0.79 -0.05 0.75 0.21 0.00 0.00 0.00 175.10 176.80 9rat s ASN 44 N -0.15 -0.65 -0.10 3.32 2.47 -0.59 -5.00 114.94 114.24 9rat s ASN 44 Ca -0.03 0.95 0.03 0.00 0.42 0.00 0.00 52.86 54.23 9rat s ASN 44 Cb -0.03 0.87 -0.01 0.00 -1.45 0.00 0.00 41.25 40.63 9rat s ASN 44 CO 0.02 -0.42 -0.19 -0.89 -3.72 0.00 0.00 177.10 171.90 9rat s THR 45 N -0.52 2.55 -0.11 -5.21 2.01 -1.26 0.46 115.64 113.55 9rat s THR 45 Ca -0.05 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 61.05 9rat s THR 45 Cb -0.02 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 9rat s THR 45 CO 0.05 0.55 0.04 -0.36 -0.69 0.00 0.00 174.62 174.21 9rat s PHE 46 N 0.18 3.27 -0.19 4.92 0.40 -0.04 -4.48 117.98 122.05 9rat s PHE 46 Ca -0.11 0.22 -0.05 0.00 -0.60 0.00 0.00 56.93 56.39 9rat s PHE 46 Cb -0.16 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.46 9rat s PHE 46 CO 0.06 0.45 0.01 0.08 0.70 0.00 0.00 175.22 176.52 9rat s VAL 47 N -0.63 4.11 -1.00 -0.44 1.01 0.13 0.15 120.40 123.73 9rat s VAL 47 Ca 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 9rat s VAL 47 Cb -0.12 -2.85 0.32 0.00 0.00 0.00 0.00 36.38 33.73 9rat s VAL 47 CO 0.02 0.43 1.68 1.41 0.00 0.00 0.00 175.10 178.65 9rat n HIS 48 N 4.08 2.78 -4.02 5.22 8.25 -0.06 -0.89 115.22 130.58 9rat n HIS 48 Ca -0.17 -2.70 -0.10 0.00 -0.26 0.00 0.00 57.72 54.50 9rat n HIS 48 Cb 0.52 -1.14 -0.07 0.00 1.12 0.00 0.00 29.99 30.42 9rat n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 9rat s GLU 49 N -3.97 1.32 0.44 -0.41 0.41 -1.26 -4.60 118.70 110.64 9rat s GLU 49 Ca 0.38 -1.29 -0.25 0.00 -0.41 0.00 0.00 54.97 53.40 9rat s GLU 49 Cb 0.17 0.40 -0.09 0.00 -1.78 0.00 0.00 34.13 32.83 9rat s GLU 49 CO -0.09 -0.51 1.34 0.45 -0.49 0.00 0.00 175.26 175.97 9rat n SER 50 N -0.29 2.85 -0.18 -0.19 2.88 -1.26 -4.12 113.62 113.30 9rat n SER 50 Ca -0.03 1.10 -0.02 0.00 -1.33 0.00 0.00 58.87 58.59 9rat n SER 50 Cb 0.63 -1.54 0.08 0.00 -0.75 0.00 0.00 64.21 62.63 9rat n SER 50 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 9rat h LEU 51 N 2.11 0.27 -1.16 2.46 5.85 -1.98 -1.96 115.31 120.89 9rat h LEU 51 Ca -0.49 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.32 9rat h LEU 51 Cb 1.29 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.29 9rat h LEU 51 CO 0.60 0.18 0.58 0.00 -0.34 0.00 0.00 178.44 179.45 9rat h ALA 52 N 1.36 1.45 -0.02 1.25 0.00 -1.98 0.45 119.26 121.76 9rat h ALA 52 Ca 0.27 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 9rat h ALA 52 Cb 0.27 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 9rat h ALA 52 CO -0.25 0.47 -0.64 -0.44 0.00 0.00 0.00 179.25 178.39 9rat h ASP 53 N 1.10 0.09 0.06 0.00 3.32 -1.78 -0.30 116.42 118.91 9rat h ASP 53 Ca 0.35 -0.06 -0.28 0.00 0.02 0.00 0.00 57.03 57.06 9rat h ASP 53 Cb 0.02 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 39.57 9rat h ASP 53 CO -0.10 0.71 -1.11 0.58 -1.72 0.00 0.00 179.24 177.59 9rat h VAL 54 N 0.06 1.28 0.00 -1.35 2.07 -0.60 -3.11 116.25 114.61 9rat h VAL 54 Ca -0.01 -2.33 -0.03 0.00 0.82 0.00 0.00 66.70 65.16 9rat h VAL 54 Cb 1.14 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 33.39 9rat h VAL 54 CO 0.09 0.72 -0.14 1.56 0.02 0.00 0.00 177.57 179.82 9rat h GLN 55 N 0.35 0.00 0.00 1.57 4.20 0.16 -2.20 115.11 119.19 9rat h GLN 55 Ca -0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.56 9rat h GLN 55 Cb 1.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.55 9rat h GLN 55 CO 0.22 0.14 0.00 0.00 -0.67 0.00 0.00 178.83 178.51 9rat h ALA 56 N 1.86 1.00 0.00 3.87 0.00 -0.98 -2.16 119.26 122.85 9rat h ALA 56 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 9rat h ALA 56 Cb 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 9rat h ALA 56 CO 0.02 0.00 -0.02 0.28 0.00 0.00 0.00 179.25 179.53 9rat h VAL 57 N 0.00 0.09 0.00 0.00 2.07 -1.48 -1.41 116.25 115.52 9rat h VAL 57 Ca 0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 9rat h VAL 57 Cb 0.20 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 9rat h VAL 57 CO 0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 9rat n SER 59 N -1.36 1.78 0.00 0.00 3.41 -0.53 -5.02 113.62 111.90 9rat n SER 59 Ca 0.05 -3.26 0.00 0.00 -0.26 0.00 0.00 58.87 55.39 9rat n SER 59 Cb 0.11 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 9rat n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 9rat n GLN 60 N -0.59 0.97 -2.73 4.33 6.02 -0.42 -5.04 117.38 119.91 9rat n GLN 60 Ca 0.17 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.73 9rat n GLN 60 Cb 0.85 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 32.09 9rat n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 9rat s LYS 61 N 4.32 4.22 0.02 -1.09 2.20 -0.90 -4.86 119.74 123.65 9rat s LYS 61 Ca 0.00 1.21 -0.24 0.00 -0.36 0.00 0.00 55.97 56.57 9rat s LYS 61 Cb 0.00 -3.65 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 9rat s LYS 61 CO 0.00 -0.62 0.74 1.21 -0.36 0.00 0.00 175.35 176.32 9rat s ASN 62 N 1.28 7.16 0.05 1.43 3.04 -1.26 0.20 114.94 126.83 9rat s ASN 62 Ca 0.41 1.39 -0.06 0.00 0.04 0.00 0.00 52.86 54.64 9rat s ASN 62 Cb -0.15 -2.45 -0.01 0.00 -1.54 0.00 0.00 41.25 37.10 9rat s ASN 62 CO 0.07 -0.00 0.10 0.68 -3.04 0.00 0.00 177.10 174.91 9rat s VAL 63 N 0.08 0.14 0.43 -5.21 -7.23 -0.56 -4.92 120.40 103.14 9rat s VAL 63 Ca 0.38 -1.19 -0.22 0.00 -1.81 0.00 0.00 61.98 59.14 9rat s VAL 63 Cb -0.20 -1.05 -0.09 0.00 0.56 0.00 0.00 36.38 35.61 9rat s VAL 63 CO 0.22 -0.65 1.04 0.00 -0.31 0.00 0.00 175.10 175.39 9rat s ALA 64 N -2.98 3.01 0.67 1.32 0.00 -1.26 -3.17 121.76 119.35 9rat s ALA 64 Ca -0.02 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.48 9rat s ALA 64 Cb 0.01 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 9rat s ALA 64 CO -0.06 -0.22 1.06 0.00 0.00 0.00 0.00 175.76 176.53 9rat h LYS 66 N -0.57 0.00 -0.42 0.00 1.57 -1.92 0.10 116.57 115.34 9rat h LYS 66 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 9rat h LYS 66 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 9rat h LYS 66 CO 0.61 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.76 9rat n ASN 67 N -4.02 2.39 0.00 0.86 6.94 -1.26 -4.92 115.26 115.25 9rat n ASN 67 Ca 0.05 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.65 9rat n ASN 67 Cb 0.46 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 9rat n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 9rat n GLY 68 N 1.23 1.73 3.72 4.83 0.00 0.36 -5.04 105.19 112.01 9rat n GLY 68 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 9rat n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 9rat s GLN 69 N -0.69 1.85 -0.10 1.61 -0.21 -1.26 -4.59 119.66 116.27 9rat s GLN 69 Ca 0.00 1.57 0.13 0.00 0.02 0.00 0.00 55.36 57.08 9rat s GLN 69 Cb 0.00 -1.82 0.31 0.00 1.00 0.00 0.00 33.01 32.50 9rat s GLN 69 CO 0.00 -2.01 1.22 2.41 -2.12 0.00 0.00 175.29 174.78 9rat n THR 70 N -3.31 1.69 -1.24 -0.19 -1.04 -1.26 0.86 114.28 109.80 9rat n THR 70 Ca 0.12 -1.70 -0.05 0.00 -2.04 0.00 0.00 64.05 60.38 9rat n THR 70 Cb 0.51 0.02 0.23 0.00 -1.82 0.00 0.00 70.33 69.27 9rat n THR 70 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 9rat n ASN 71 N -0.66 3.44 -4.90 8.00 6.94 -1.26 -4.79 115.26 122.02 9rat n ASN 71 Ca 0.14 -3.47 -0.29 0.00 -0.02 0.00 0.00 54.58 50.94 9rat n ASN 71 Cb 0.61 -0.67 -0.03 0.00 -2.36 0.00 0.00 39.78 37.33 9rat n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 9rat s TYR 73 N -2.07 0.24 -0.13 0.00 1.51 0.14 -1.49 117.35 115.55 9rat s TYR 73 Ca 0.44 -0.04 0.00 0.00 -1.01 0.00 0.00 57.07 56.46 9rat s TYR 73 Cb -0.11 -0.17 -0.01 0.00 -0.11 0.00 0.00 41.96 41.56 9rat s TYR 73 CO 0.30 -0.01 -0.15 -1.14 -1.11 0.00 0.00 175.55 173.44 9rat s GLN 74 N 0.03 3.32 0.22 -0.62 0.74 0.53 -1.20 119.66 122.68 9rat s GLN 74 Ca 0.00 -0.72 -0.32 0.00 0.05 0.00 0.00 55.36 54.38 9rat s GLN 74 Cb -0.02 -2.59 -0.13 0.00 1.10 0.00 0.00 33.01 31.37 9rat s GLN 74 CO -0.00 0.19 1.49 -1.13 -0.55 0.00 0.00 175.29 175.28 9rat n SER 75 N 3.58 3.01 -0.11 6.67 3.41 -0.81 -2.12 113.62 127.24 9rat n SER 75 Ca -0.18 1.12 -0.13 0.00 -0.26 0.00 0.00 58.87 59.42 9rat n SER 75 Cb 0.53 -1.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.00 9rat n SER 75 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 9rat h TYR 76 N 4.83 0.93 -3.14 7.33 0.05 -1.96 -3.44 116.97 121.57 9rat h TYR 76 Ca -0.45 -0.26 -0.48 0.00 0.05 0.00 0.00 58.73 57.59 9rat h TYR 76 Cb 1.26 -0.20 0.03 0.00 1.01 0.00 0.00 36.73 38.82 9rat h TYR 76 CO 0.59 1.03 -0.03 0.45 -1.05 0.00 0.00 178.16 179.14 9rat s SER 77 N -6.59 6.13 0.46 3.88 0.15 -1.26 -5.05 113.70 111.42 9rat s SER 77 Ca -0.12 0.62 -0.09 0.00 0.70 0.00 0.00 55.95 57.06 9rat s SER 77 Cb 0.10 -1.99 -0.05 0.00 -1.71 0.00 0.00 66.02 62.37 9rat s SER 77 CO 0.84 -0.54 0.81 0.42 1.20 0.00 0.00 173.24 175.97 9rat s THR 78 N -2.58 4.82 0.03 6.45 -4.23 -1.26 -4.44 115.64 114.43 9rat s THR 78 Ca 0.45 0.50 0.02 0.00 -1.18 0.00 0.00 61.69 61.49 9rat s THR 78 Cb -0.10 -3.80 -0.02 0.00 1.34 0.00 0.00 72.50 69.93 9rat s THR 78 CO 0.40 -0.71 -0.06 -0.04 -0.54 0.00 0.00 174.62 173.67 9rat s MET 79 N -4.32 0.46 -0.33 3.99 -1.94 0.18 -4.84 119.30 112.50 9rat s MET 79 Ca 0.50 -0.58 -0.28 0.00 -1.71 0.00 0.00 55.69 53.62 9rat s MET 79 Cb -0.10 -0.26 -0.02 0.00 2.01 0.00 0.00 34.83 36.46 9rat s MET 79 CO 0.39 0.05 1.81 0.45 -0.01 0.00 0.00 175.02 177.71 9rat s SER 80 N -1.18 5.88 0.23 3.03 0.15 -1.26 -0.15 113.70 120.40 9rat s SER 80 Ca -0.08 1.31 0.10 0.00 0.70 0.00 0.00 55.95 57.98 9rat s SER 80 Cb -0.08 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 9rat s SER 80 CO 0.00 -1.72 -0.17 0.27 1.20 0.00 0.00 173.24 172.82 9rat s ILE 81 N 6.93 2.05 -0.20 6.45 -4.36 0.11 -0.88 121.20 131.31 9rat s ILE 81 Ca 0.80 -2.26 -0.01 0.00 -0.26 0.00 0.00 60.65 58.93 9rat s ILE 81 Cb -0.23 -2.13 0.01 0.00 1.25 0.00 0.00 42.46 41.37 9rat s ILE 81 CO 0.34 -0.48 -0.14 -0.89 0.24 0.00 0.00 174.94 174.00 9rat s THR 82 N -2.67 2.52 -0.04 8.37 2.01 0.12 -0.90 115.64 125.05 9rat s THR 82 Ca 0.25 -0.79 -0.13 0.00 0.31 0.00 0.00 61.69 61.32 9rat s THR 82 Cb -0.03 -2.10 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 9rat s THR 82 CO 0.10 0.49 0.34 -0.62 -0.69 0.00 0.00 174.62 174.24 9rat s ASP 83 N 1.35 6.68 -0.15 3.53 -1.08 0.41 -0.86 116.67 126.57 9rat s ASP 83 Ca 0.05 0.81 0.00 0.00 -0.52 0.00 0.00 52.55 52.90 9rat s ASP 83 Cb -0.14 -2.21 0.02 0.00 -1.46 0.00 0.00 42.92 39.14 9rat s ASP 83 CO -0.10 0.32 -0.13 0.00 0.52 0.00 0.00 175.17 175.78 9rat s ARG 85 N 1.52 2.97 0.40 0.00 6.06 -1.03 -1.54 118.95 127.33 9rat s ARG 85 Ca 0.05 -0.84 -0.25 0.00 -2.50 0.00 0.00 55.73 52.18 9rat s ARG 85 Cb -0.13 -2.33 -0.08 0.00 0.06 0.00 0.00 34.95 32.47 9rat s ARG 85 CO -0.10 0.25 1.19 -2.00 -2.50 0.00 0.00 175.30 172.14 9rat s GLU 86 N 0.18 4.03 0.43 5.12 2.12 0.62 -0.18 118.70 131.01 9rat s GLU 86 Ca -0.13 1.88 -0.05 0.00 0.36 0.00 0.00 54.97 57.04 9rat s GLU 86 Cb -0.16 -2.68 -0.04 0.00 0.26 0.00 0.00 34.13 31.51 9rat s GLU 86 CO 0.07 -0.35 0.71 0.99 -0.54 0.00 0.00 175.26 176.14 9rat s THR 87 N -1.40 4.95 0.57 -1.70 2.01 0.34 -4.83 115.64 115.58 9rat s THR 87 Ca 0.57 0.09 0.43 0.00 0.31 0.00 0.00 61.69 63.09 9rat s THR 87 Cb -0.32 -3.84 0.44 0.00 0.01 0.00 0.00 72.50 68.79 9rat s THR 87 CO 0.40 -0.70 2.31 1.23 -0.69 0.00 0.00 174.62 177.16 9rat h GLY 88 N 0.59 0.00 -0.05 4.40 0.00 -1.94 0.25 103.07 106.31 9rat h GLY 88 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 9rat h GLY 88 CO 0.62 0.00 -0.10 1.44 0.00 0.00 0.00 176.54 178.50 9rat n SER 89 N -3.11 1.20 -4.70 0.19 7.64 -1.26 -4.92 113.62 108.66 9rat n SER 89 Ca -0.02 -1.19 -0.42 0.00 1.01 0.00 0.00 58.87 58.25 9rat n SER 89 Cb 0.11 0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 9rat n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 9rat s SER 90 N -2.22 6.61 -0.22 6.43 0.15 0.86 -4.78 113.70 120.53 9rat s SER 90 Ca 0.33 2.49 -0.03 0.00 0.70 0.00 0.00 55.95 59.44 9rat s SER 90 Cb 0.20 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 62.01 9rat s SER 90 CO 0.42 -0.86 0.07 -0.75 1.20 0.00 0.00 173.24 173.31 9rat s LYS 91 N 2.32 0.43 0.17 5.44 2.20 -0.53 -4.88 119.74 124.88 9rat s LYS 91 Ca 0.73 -0.42 -0.33 0.00 -0.36 0.00 0.00 55.97 55.59 9rat s LYS 91 Cb -0.40 -1.88 -0.15 0.00 -1.51 0.00 0.00 37.83 33.88 9rat s LYS 91 CO 0.32 -0.75 1.21 0.98 -0.36 0.00 0.00 175.35 176.75 9rat n TYR 92 N 5.12 1.42 1.07 4.03 9.36 -1.26 0.09 117.16 136.99 9rat n TYR 92 Ca -0.07 0.64 0.12 0.00 3.32 0.00 0.00 57.90 61.91 9rat n TYR 92 Cb 0.46 -2.31 0.34 0.00 -0.63 0.00 0.00 39.34 37.20 9rat n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 9rat n PRO 93 N 1.88 1.95 -2.30 2.98 -0.04 -1.26 -4.96 135.00 133.25 9rat n PRO 93 Ca 0.15 -1.42 -0.43 0.00 -0.04 0.00 0.00 63.50 61.76 9rat n PRO 93 Cb 0.25 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 9rat n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 9rat n ASN 94 N 0.66 4.74 -4.74 3.54 3.02 0.11 -4.99 115.26 117.61 9rat n ASN 94 Ca 0.17 -2.98 -0.41 0.00 -0.03 0.00 0.00 54.58 51.33 9rat n ASN 94 Cb 0.43 -1.58 -0.03 0.00 -0.61 0.00 0.00 39.78 37.98 9rat n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 9rat s ALA 96 N -0.08 1.41 0.08 0.00 0.00 -1.26 -4.91 121.76 117.00 9rat s ALA 96 Ca 0.54 -0.52 0.09 0.00 0.00 0.00 0.00 51.96 52.07 9rat s ALA 96 Cb -0.34 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 9rat s ALA 96 CO 0.38 0.16 -0.24 0.71 0.00 0.00 0.00 175.76 176.77 9rat s TYR 97 N 0.52 2.09 -0.16 0.00 1.51 -1.26 -0.51 117.35 119.55 9rat s TYR 97 Ca -0.13 -0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 55.37 9rat s TYR 97 Cb -0.15 -1.20 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 9rat s TYR 97 CO 0.04 0.20 0.39 0.21 -1.11 0.00 0.00 175.55 175.28 9rat s LYS 98 N -1.59 4.27 -0.23 -0.62 2.47 0.74 -4.69 119.74 120.09 9rat s LYS 98 Ca 0.10 0.26 -0.10 0.00 -1.56 0.00 0.00 55.97 54.67 9rat s LYS 98 Cb -0.10 -3.46 -0.05 0.00 -1.46 0.00 0.00 37.83 32.77 9rat s LYS 98 CO 0.04 0.13 0.14 0.99 0.16 0.00 0.00 175.35 176.80 9rat s THR 99 N 0.76 5.21 -0.18 3.43 2.01 -1.26 -2.48 115.64 123.13 9rat s THR 99 Ca 0.21 0.13 -0.00 0.00 0.31 0.00 0.00 61.69 62.33 9rat s THR 99 Cb -0.14 -3.41 0.05 0.00 0.01 0.00 0.00 72.50 69.00 9rat s THR 99 CO 0.07 0.37 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.43 9rat s THR 100 N 0.91 1.20 0.09 -0.82 2.01 -0.64 -4.97 115.64 113.42 9rat s THR 100 Ca 0.07 -0.77 -0.15 0.00 0.31 0.00 0.00 61.69 61.15 9rat s THR 100 Cb -0.13 -1.40 -0.06 0.00 0.01 0.00 0.00 72.50 70.91 9rat s THR 100 CO 0.03 0.07 0.50 -1.58 -0.69 0.00 0.00 174.62 172.95 9rat s GLN 101 N 1.58 3.98 0.20 4.92 2.00 -1.26 0.16 119.66 131.24 9rat s GLN 101 Ca -0.01 0.48 -0.22 0.00 -2.00 0.00 0.00 55.36 53.61 9rat s GLN 101 Cb -0.16 -3.07 0.05 0.00 0.80 0.00 0.00 33.01 30.63 9rat s GLN 101 CO -0.08 0.57 0.64 0.00 -0.50 0.00 0.00 175.29 175.92 9rat s ALA 102 N -1.30 -1.48 -0.28 1.58 0.00 -0.08 -4.95 121.76 115.26 9rat s ALA 102 Ca 0.32 0.24 -0.00 0.00 0.00 0.00 0.00 51.96 52.52 9rat s ALA 102 Cb -0.16 0.88 0.05 0.00 0.00 0.00 0.00 23.12 23.89 9rat s ALA 102 CO 0.18 -0.85 -0.04 -0.80 0.00 0.00 0.00 175.76 174.24 9rat s ASN 103 N -2.80 4.67 0.23 0.00 -0.87 -1.26 0.08 114.94 114.99 9rat s ASN 103 Ca 0.04 -1.26 -0.02 0.00 -1.57 0.00 0.00 52.86 50.05 9rat s ASN 103 Cb -0.03 -1.65 -0.03 0.00 -0.02 0.00 0.00 41.25 39.52 9rat s ASN 103 CO -0.07 -0.22 0.23 -0.54 -2.57 0.00 0.00 177.10 173.93 9rat s LYS 104 N 1.21 1.37 0.16 -0.60 1.02 0.79 -4.74 119.74 118.95 9rat s LYS 104 Ca -0.06 -1.62 -0.28 0.00 0.02 0.00 0.00 55.97 54.03 9rat s LYS 104 Cb -0.19 0.32 -0.07 0.00 -0.52 0.00 0.00 37.83 37.36 9rat s LYS 104 CO -0.03 -0.49 0.89 -1.01 -0.92 0.00 0.00 175.35 173.79 9rat s HIS 105 N -3.98 3.88 -0.08 3.18 3.76 -1.26 0.51 115.29 121.30 9rat s HIS 105 Ca 0.36 1.76 -0.01 0.00 -0.15 0.00 0.00 55.06 57.02 9rat s HIS 105 Cb 0.05 -2.94 -0.03 0.00 1.11 0.00 0.00 32.58 30.77 9rat s HIS 105 CO 0.14 0.36 -0.02 0.96 -0.85 0.00 0.00 174.74 175.33 9rat s ILE 106 N -0.63 4.09 -0.17 0.60 -4.36 -1.26 0.12 121.20 119.59 9rat s ILE 106 Ca 0.42 -0.33 0.01 0.00 -0.26 0.00 0.00 60.65 60.49 9rat s ILE 106 Cb -0.24 -2.70 0.01 0.00 1.25 0.00 0.00 42.46 40.78 9rat s ILE 106 CO 0.29 0.60 -0.20 -0.63 0.24 0.00 0.00 174.94 175.25 9rat s ILE 107 N -0.83 2.17 0.24 8.37 1.01 -0.38 -1.93 121.20 129.83 9rat s ILE 107 Ca 0.13 -0.92 0.08 0.00 0.00 0.00 0.00 60.65 59.94 9rat s ILE 107 Cb -0.11 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 9rat s ILE 107 CO 0.02 0.54 -0.13 0.68 0.00 0.00 0.00 174.94 176.05 9rat s VAL 108 N 1.12 1.82 -0.16 2.92 -7.23 -0.34 -0.25 120.40 118.28 9rat s VAL 108 Ca 0.01 -2.22 -0.08 0.00 -1.81 0.00 0.00 61.98 57.88 9rat s VAL 108 Cb -0.14 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 9rat s VAL 108 CO -0.08 -0.49 0.09 0.00 -0.31 0.00 0.00 175.10 174.31 9rat s ALA 109 N -2.91 3.59 0.03 1.32 0.00 0.33 0.25 121.76 124.36 9rat s ALA 109 Ca 0.25 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.59 9rat s ALA 109 Cb -0.00 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 9rat s ALA 109 CO 0.09 0.32 -0.24 0.00 0.00 0.00 0.00 175.76 175.93 9rat s GLU 111 N -1.13 1.09 1.04 0.00 2.02 -0.58 -4.90 118.70 116.24 9rat s GLU 111 Ca 0.12 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 54.16 9rat s GLU 111 Cb -0.10 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.54 9rat s GLU 111 CO 0.02 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.30 9rat n GLY 112 N -0.20 -1.77 2.89 -1.39 0.00 -1.26 -2.19 105.19 101.27 9rat n GLY 112 Ca -0.12 -1.59 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 9rat n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 9rat s ASN 113 N -4.00 0.53 0.59 1.61 3.84 -1.26 -3.26 114.94 112.99 9rat s ASN 113 Ca 0.00 -0.12 -0.20 0.00 0.21 0.00 0.00 52.86 52.76 9rat s ASN 113 Cb 0.00 1.00 -0.04 0.00 -0.55 0.00 0.00 41.25 41.66 9rat s ASN 113 CO 0.00 -0.33 1.19 -0.81 -2.79 0.00 0.00 177.10 174.36 9rat n PRO 114 N 5.35 1.22 -2.83 0.43 -0.05 -1.26 -5.08 135.00 132.78 9rat n PRO 114 Ca -0.02 0.46 -0.43 0.00 -0.05 0.00 0.00 63.50 63.46 9rat n PRO 114 Cb 0.49 -2.40 -0.04 0.00 -0.05 0.00 0.00 33.50 31.50 9rat n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 175.50 174.98 9rat s TYR 115 N -1.39 2.77 0.30 0.54 5.04 -1.20 -4.91 117.35 118.49 9rat s TYR 115 Ca 0.76 -0.06 0.02 0.00 -2.44 0.00 0.00 57.07 55.36 9rat s TYR 115 Cb -0.41 -4.12 -0.05 0.00 0.35 0.00 0.00 41.96 37.74 9rat s TYR 115 CO 0.46 -1.40 0.11 0.14 -1.34 0.00 0.00 175.55 173.51 9rat s VAL 116 N 4.02 0.64 0.02 3.14 -7.23 -0.93 -4.86 120.40 115.20 9rat s VAL 116 Ca 0.30 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.17 9rat s VAL 116 Cb -0.13 -2.61 -0.07 0.00 0.56 0.00 0.00 36.38 34.12 9rat s VAL 116 CO 0.18 0.00 1.73 -2.84 -0.31 0.00 0.00 175.10 173.86 9rat s PRO 117 N -3.93 4.18 -0.01 4.82 0.02 -1.26 -1.52 135.00 137.30 9rat s PRO 117 Ca 0.36 2.35 0.04 0.00 0.02 0.00 0.00 61.00 63.77 9rat s PRO 117 Cb 0.07 -3.86 -0.07 0.00 0.02 0.00 0.00 34.50 30.66 9rat s PRO 117 CO 0.15 -0.83 0.09 1.33 -0.33 0.00 0.00 177.00 177.41 9rat n VAL 118 N 5.17 0.04 -3.81 3.83 0.24 -0.22 -4.61 118.33 118.97 9rat n VAL 118 Ca 0.17 -0.11 -0.13 0.00 -2.04 0.00 0.00 64.34 62.23 9rat n VAL 118 Cb 0.41 0.22 -0.13 0.00 -1.47 0.00 0.00 33.84 32.87 9rat n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 9rat s HIS 119 N -2.28 -0.14 -0.33 6.34 5.65 -1.16 -4.66 115.29 118.71 9rat s HIS 119 Ca -0.02 0.37 -0.19 0.00 0.25 0.00 0.00 55.06 55.47 9rat s HIS 119 Cb 0.03 0.01 -0.01 0.00 -1.18 0.00 0.00 32.58 31.43 9rat s HIS 119 CO 0.18 -0.09 0.57 0.12 -0.65 0.00 0.00 174.74 174.87 9rat s PHE 120 N 0.37 3.19 -0.21 3.88 2.19 -1.26 -0.52 117.98 125.62 9rat s PHE 120 Ca -0.03 0.35 -0.18 0.00 0.33 0.00 0.00 56.93 57.41 9rat s PHE 120 Cb -0.04 -2.97 -0.19 0.00 -1.31 0.00 0.00 43.02 38.51 9rat s PHE 120 CO -0.02 -0.52 0.12 -3.47 1.83 0.00 0.00 175.22 173.16 9rat n ASP 121 N 5.83 1.91 -3.67 6.13 2.03 0.66 -4.98 116.55 124.45 9rat n ASP 121 Ca -0.03 0.37 -0.02 0.00 0.52 0.00 0.00 54.79 55.63 9rat n ASP 121 Cb 0.49 -0.92 -0.01 0.00 -0.72 0.00 0.00 41.12 39.97 9rat n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 9rat s ALA 122 N -2.42 -1.85 -0.03 -1.67 0.00 -1.18 -4.94 121.76 109.67 9rat s ALA 122 Ca -0.30 0.25 0.04 0.00 0.00 0.00 0.00 51.96 51.95 9rat s ALA 122 Cb 0.08 0.57 -0.00 0.00 0.00 0.00 0.00 23.12 23.77 9rat s ALA 122 CO 0.59 -1.05 -0.15 -1.54 0.00 0.00 0.00 175.76 173.61 9rat s SER 123 N -3.03 1.83 0.00 0.00 1.04 -1.26 -1.25 113.70 111.03 9rat s SER 123 Ca 0.14 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.28 9rat s SER 123 Cb 0.01 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.67 9rat s SER 123 CO 0.01 0.14 0.29 1.33 0.98 0.00 0.00 173.24 175.99