#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1srn s GLU 2 N 0.00 4.26 0.87 1.64 2.12 -1.26 -4.99 118.70 121.34 1srn s GLU 2 Ca 0.00 2.14 -0.11 0.00 0.36 0.00 0.00 54.97 57.36 1srn s GLU 2 Cb 0.00 -3.45 0.11 0.00 0.26 0.00 0.00 34.13 31.05 1srn s GLU 2 CO 0.00 -0.59 1.09 0.95 -0.54 0.00 0.00 175.26 176.17 1srn s THR 3 N 2.00 2.76 0.28 -1.70 -4.23 -1.26 -4.80 115.64 108.69 1srn s THR 3 Ca 0.68 0.25 0.01 0.00 -1.18 0.00 0.00 61.69 61.44 1srn s THR 3 Cb -0.37 -2.80 0.11 0.00 1.34 0.00 0.00 72.50 70.79 1srn s THR 3 CO 0.30 -0.32 1.78 0.00 -0.54 0.00 0.00 174.62 175.83 1srn h ALA 4 N -1.43 1.17 -0.18 3.99 0.00 -1.98 0.32 119.26 121.16 1srn h ALA 4 Ca -0.49 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.12 1srn h ALA 4 Cb 1.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1srn h ALA 4 CO 0.56 0.53 -0.03 0.00 0.00 0.00 0.00 179.25 180.31 1srn h ALA 5 N 1.33 0.24 -0.39 0.00 0.00 -2.00 -1.45 119.26 116.99 1srn h ALA 5 Ca 0.11 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1srn h ALA 5 Cb 0.48 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1srn h ALA 5 CO 0.03 -0.01 -0.13 0.00 0.00 0.00 0.00 179.25 179.13 1srn h ALA 6 N 0.74 1.03 -0.24 0.00 0.00 -1.78 -2.29 119.26 116.72 1srn h ALA 6 Ca 0.05 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1srn h ALA 6 Cb 0.45 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1srn h ALA 6 CO 0.02 0.59 -0.43 -0.22 0.00 0.00 0.00 179.25 179.20 1srn h LYS 7 N 0.64 0.60 0.29 0.00 3.64 -0.23 -2.49 116.57 119.02 1srn h LYS 7 Ca 0.11 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 1srn h LYS 7 Cb 0.59 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1srn h LYS 7 CO 0.04 0.92 -0.18 0.35 -2.27 0.00 0.00 179.45 178.31 1srn h PHE 8 N 0.49 -0.46 -0.71 1.91 3.57 -0.95 0.73 116.94 121.51 1srn h PHE 8 Ca 0.04 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.66 1srn h PHE 8 Cb 0.95 0.16 -0.09 0.00 2.79 0.00 0.00 35.95 39.76 1srn h PHE 8 CO 0.04 -0.28 0.26 0.93 -2.23 0.00 0.00 178.31 177.03 1srn h GLU 9 N -0.45 0.39 0.10 1.11 5.08 -1.38 0.40 114.58 119.84 1srn h GLU 9 Ca -0.03 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1srn h GLU 9 Cb 0.37 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1srn h GLU 9 CO 0.03 0.26 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.16 1srn h ARG 10 N 0.40 -0.14 0.00 2.33 2.43 -1.17 -1.73 114.38 116.50 1srn h ARG 10 Ca 0.38 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.51 1srn h ARG 10 Cb 0.57 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1srn h ARG 10 CO -0.40 -0.09 -0.31 1.96 -1.51 0.00 0.00 179.97 179.63 1srn h GLN 11 N -0.14 0.00 0.00 0.20 4.20 -0.30 -3.41 115.11 115.65 1srn h GLN 11 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1srn h GLN 11 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1srn h GLN 11 CO 0.02 0.25 0.00 0.72 -0.67 0.00 0.00 178.83 179.16 1srn n HIS 12 N -3.14 0.00 -3.88 2.96 8.25 0.14 -4.73 115.22 114.82 1srn n HIS 12 Ca 0.03 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.13 1srn n HIS 12 Cb 0.64 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.68 1srn n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1srn s MET 13 N -0.11 3.73 -0.43 -0.41 -1.94 -0.66 0.49 119.30 119.98 1srn s MET 13 Ca 0.00 -0.20 0.06 0.00 -1.71 0.00 0.00 55.69 53.84 1srn s MET 13 Cb 0.00 -3.24 0.22 0.00 2.01 0.00 0.00 34.83 33.81 1srn s MET 13 CO 0.00 0.55 0.54 -3.47 -0.01 0.00 0.00 175.02 172.63 1srn n ASP 14 N 2.70 -0.93 -0.09 3.03 2.03 -0.55 -4.85 116.55 117.88 1srn n ASP 14 Ca -0.18 -2.71 0.15 0.00 0.52 0.00 0.00 54.79 52.58 1srn n ASP 14 Cb 0.54 0.04 0.86 0.00 -0.72 0.00 0.00 41.12 41.83 1srn n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1srn n SER 15 N 2.09 0.29 -0.36 1.67 7.64 -1.26 -3.51 113.62 120.17 1srn n SER 15 Ca 0.22 -1.11 0.14 0.00 1.01 0.00 0.00 58.87 59.13 1srn n SER 15 Cb 0.53 -0.00 0.62 0.00 -1.01 0.00 0.00 64.21 64.35 1srn n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1srn n SER 16 N -0.77 1.14 -3.93 6.43 3.41 -1.26 -4.85 113.62 113.79 1srn n SER 16 Ca 0.23 -1.39 -0.14 0.00 -0.26 0.00 0.00 58.87 57.31 1srn n SER 16 Cb 0.15 -0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.96 1srn n SER 16 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1srn s THR 17 N -1.99 0.25 -0.66 6.66 -1.32 -1.23 -5.02 115.64 112.32 1srn s THR 17 Ca 0.40 -0.18 0.25 0.00 -1.21 0.00 0.00 61.69 60.95 1srn s THR 17 Cb 0.21 -0.22 0.27 0.00 -1.51 0.00 0.00 72.50 71.24 1srn s THR 17 CO 0.34 0.04 1.69 0.77 -2.21 0.00 0.00 174.62 175.25 1srn h SER 18 N 5.99 0.00 -4.14 8.08 4.64 -1.88 -3.43 113.55 122.82 1srn h SER 18 Ca -0.27 -0.02 0.30 0.00 -0.47 0.00 0.00 61.79 61.34 1srn h SER 18 Cb 1.20 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.09 1srn h SER 18 CO 0.50 0.01 0.92 0.00 -0.87 0.00 0.00 176.83 177.39 1srn s ALA 19 N -3.13 -2.16 0.03 5.18 0.00 -1.26 -4.86 121.76 115.55 1srn s ALA 19 Ca 0.09 1.78 -0.31 0.00 0.00 0.00 0.00 51.96 53.52 1srn s ALA 19 Cb 0.11 -0.28 -0.10 0.00 0.00 0.00 0.00 23.12 22.85 1srn s ALA 19 CO 0.63 -0.57 1.93 0.00 0.00 0.00 0.00 175.76 177.74 1srn n ALA 20 N -0.05 1.52 0.35 0.00 0.00 -1.26 -4.89 120.51 116.18 1srn n ALA 20 Ca 0.03 0.25 -0.17 0.00 0.00 0.00 0.00 53.44 53.55 1srn n ALA 20 Cb 0.57 -2.62 -0.09 0.00 0.00 0.00 0.00 19.45 17.31 1srn n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1srn h SER 21 N 9.86 -0.74 -4.35 0.00 4.64 -1.99 -3.48 113.55 117.49 1srn h SER 21 Ca -0.49 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.41 1srn h SER 21 Cb 1.24 0.19 -0.10 0.00 -0.31 0.00 0.00 62.40 63.43 1srn h SER 21 CO 0.94 -0.47 -0.37 -1.54 -0.87 0.00 0.00 176.83 174.52 1srn n SER 22 N -5.44 0.45 0.06 4.97 3.41 -1.26 -5.03 113.62 110.78 1srn n SER 22 Ca -0.13 -2.74 0.08 0.00 -0.26 0.00 0.00 58.87 55.82 1srn n SER 22 Cb 0.36 1.04 0.37 0.00 -0.26 0.00 0.00 64.21 65.72 1srn n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1srn n SER 23 N -1.77 0.28 -1.03 4.04 3.41 -1.26 -1.88 113.62 115.42 1srn n SER 23 Ca -0.00 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 1srn n SER 23 Cb 0.49 -0.64 0.14 0.00 -0.26 0.00 0.00 64.21 63.94 1srn n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1srn n ASN 24 N -1.82 3.17 -0.23 4.04 4.13 -1.26 -4.44 115.26 118.84 1srn n ASN 24 Ca 0.02 -2.00 -0.01 0.00 1.68 0.00 0.00 54.58 54.28 1srn n ASN 24 Cb 0.17 -0.09 0.11 0.00 -1.54 0.00 0.00 39.78 38.43 1srn n ASN 24 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1srn h TYR 25 N 4.63 0.66 -0.50 3.10 3.20 -1.77 -2.24 116.97 124.04 1srn h TYR 25 Ca 0.00 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 1srn h TYR 25 Cb 1.00 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 1srn h TYR 25 CO 0.09 0.29 -0.10 0.00 -1.64 0.00 0.00 178.16 176.80 1srn h ASN 27 N 0.81 0.82 0.62 0.00 -0.26 -1.69 0.26 115.58 116.13 1srn h ASN 27 Ca 0.13 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.83 1srn h ASN 27 Cb 0.66 -0.19 0.01 0.00 -1.06 0.00 0.00 38.32 37.74 1srn h ASN 27 CO 0.05 0.57 -0.30 -0.61 -1.06 0.00 0.00 177.43 176.08 1srn h GLN 28 N 0.97 -0.80 -0.32 0.81 5.75 -1.41 -3.26 115.11 116.85 1srn h GLN 28 Ca 0.30 0.05 -0.14 0.00 -0.15 0.00 0.00 58.65 58.72 1srn h GLN 28 Cb -0.01 0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1srn h GLN 28 CO -0.10 -0.50 -0.37 0.52 -2.65 0.00 0.00 178.83 175.73 1srn h MET 29 N -0.93 0.74 -0.76 1.69 2.86 -0.93 -2.18 114.93 115.42 1srn h MET 29 Ca -0.08 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.17 1srn h MET 29 Cb 0.67 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 1srn h MET 29 CO 0.14 0.99 0.40 0.52 1.06 0.00 0.00 176.91 180.02 1srn h MET 30 N 0.61 1.06 0.77 1.72 2.86 -1.06 -1.63 114.93 119.27 1srn h MET 30 Ca 0.06 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 1srn h MET 30 Cb 0.91 -0.20 0.01 0.00 0.06 0.00 0.00 31.60 32.37 1srn h MET 30 CO 0.08 0.80 -0.37 -0.22 1.06 0.00 0.00 176.91 178.26 1srn h LYS 31 N 1.05 -0.99 -0.66 1.72 1.63 -1.60 1.37 116.57 119.09 1srn h LYS 31 Ca 0.27 0.07 0.07 0.00 -0.85 0.00 0.00 60.65 60.20 1srn h LYS 31 Cb 0.05 0.23 -0.04 0.00 -0.60 0.00 0.00 32.23 31.87 1srn h LYS 31 CO -0.04 -0.66 0.44 0.66 -3.45 0.00 0.00 179.45 176.39 1srn h SER 32 N -1.28 0.56 -0.03 4.20 4.64 -1.36 0.40 113.55 120.69 1srn h SER 32 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1srn h SER 32 Cb 0.79 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1srn h SER 32 CO 0.17 0.36 0.00 0.54 -0.87 0.00 0.00 176.83 177.03 1srn n ARG 33 N -4.48 1.25 -2.27 4.77 5.12 -0.62 -4.91 116.66 115.54 1srn n ARG 33 Ca 0.10 -0.37 -0.11 0.00 -1.93 0.00 0.00 57.85 55.54 1srn n ARG 33 Cb 0.26 -1.43 -0.00 0.00 -1.16 0.00 0.00 32.46 30.12 1srn n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1srn n ASN 34 N -0.50 -3.56 -0.62 0.55 5.15 0.14 -4.85 115.26 111.57 1srn n ASN 34 Ca 0.19 -0.03 0.05 0.00 -0.60 0.00 0.00 54.58 54.19 1srn n ASN 34 Cb 0.19 -2.76 0.14 0.00 -0.53 0.00 0.00 39.78 36.82 1srn n ASN 34 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1srn n LEU 35 N -1.62 1.80 -1.21 1.20 4.77 0.47 -3.81 117.00 118.59 1srn n LEU 35 Ca -0.12 -0.90 0.02 0.00 -0.03 0.00 0.00 56.01 54.98 1srn n LEU 35 Cb 0.59 -0.24 0.12 0.00 -2.33 0.00 0.00 43.42 41.56 1srn n LEU 35 CO 0.16 0.42 0.22 0.35 -1.33 0.00 0.00 177.39 177.21 1srn n THR 36 N 0.41 1.48 -0.07 -5.08 -2.24 -1.23 -1.93 114.28 105.62 1srn n THR 36 Ca 0.11 -2.62 -0.06 0.00 -2.27 0.00 0.00 64.05 59.20 1srn n THR 36 Cb 0.30 0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.65 1srn n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1srn h LYS 37 N 1.25 0.00 0.00 -0.78 6.56 -1.92 -3.40 116.57 118.29 1srn h LYS 37 Ca -0.04 0.00 -0.27 0.00 -1.06 0.00 0.00 60.65 59.28 1srn h LYS 37 Cb 1.37 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.98 1srn h LYS 37 CO 0.13 0.26 -1.53 -0.44 -2.06 0.00 0.00 179.45 175.81 1srn h ASP 38 N -1.00 0.01 -5.21 0.86 5.19 -1.90 -3.49 116.42 110.88 1srn h ASP 38 Ca -0.04 -0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.23 1srn h ASP 38 Cb 0.45 -0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.93 1srn h ASP 38 CO -0.02 1.01 0.10 0.00 -3.12 0.00 0.00 179.24 177.21 1srn s ARG 39 N -2.63 2.14 -0.26 3.56 1.04 -1.26 -5.08 118.95 116.46 1srn s ARG 39 Ca -0.03 -1.59 -0.21 0.00 -1.04 0.00 0.00 55.73 52.86 1srn s ARG 39 Cb 0.08 0.56 -0.02 0.00 -2.04 0.00 0.00 34.95 33.54 1srn s ARG 39 CO 0.82 -0.96 0.64 0.00 -0.04 0.00 0.00 175.30 175.76 1srn s LYS 41 N 2.54 4.08 0.20 0.00 2.20 -0.81 -4.88 119.74 123.06 1srn s LYS 41 Ca 0.27 2.08 -0.11 0.00 -0.36 0.00 0.00 55.97 57.85 1srn s LYS 41 Cb -0.15 -4.00 0.15 0.00 -1.51 0.00 0.00 37.83 32.31 1srn s LYS 41 CO 0.09 -0.96 1.85 -1.00 -0.36 0.00 0.00 175.35 174.96 1srn h PRO 42 N 9.90 0.79 -4.96 4.03 0.13 -1.94 -3.44 132.00 136.52 1srn h PRO 42 Ca -0.38 -0.05 -0.34 0.00 -0.87 0.00 0.00 66.00 64.36 1srn h PRO 42 Cb 1.17 -0.18 -0.21 0.00 0.13 0.00 0.00 31.00 31.92 1srn h PRO 42 CO 0.96 0.53 -0.75 0.08 -0.23 0.00 0.00 178.00 178.58 1srn s VAL 43 N -6.13 0.84 -0.13 1.56 1.01 -1.26 -0.61 120.40 115.69 1srn s VAL 43 Ca -0.13 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 60.30 1srn s VAL 43 Cb 0.14 -0.91 0.09 0.00 0.00 0.00 0.00 36.38 35.70 1srn s VAL 43 CO 0.76 -0.34 0.81 0.21 0.00 0.00 0.00 175.10 176.55 1srn s ASN 44 N -1.76 -0.56 -0.11 3.32 2.47 0.27 -5.00 114.94 113.57 1srn s ASN 44 Ca -0.04 0.72 0.03 0.00 0.42 0.00 0.00 52.86 53.99 1srn s ASN 44 Cb -0.09 0.60 0.00 0.00 -1.45 0.00 0.00 41.25 40.31 1srn s ASN 44 CO 0.01 -0.45 -0.23 -0.89 -3.72 0.00 0.00 177.10 171.82 1srn s THR 45 N -0.87 2.13 -0.13 -5.21 2.01 -1.26 0.38 115.64 112.70 1srn s THR 45 Ca -0.06 -0.99 -0.04 0.00 0.31 0.00 0.00 61.69 60.91 1srn s THR 45 Cb -0.01 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1srn s THR 45 CO 0.05 0.56 0.03 -0.36 -0.69 0.00 0.00 174.62 174.20 1srn s PHE 46 N 0.41 3.21 -0.15 4.92 0.08 0.13 -4.35 117.98 122.23 1srn s PHE 46 Ca -0.17 0.11 -0.02 0.00 0.12 0.00 0.00 56.93 56.98 1srn s PHE 46 Cb -0.18 -1.91 -0.02 0.00 -0.57 0.00 0.00 43.02 40.35 1srn s PHE 46 CO 0.07 0.33 -0.08 0.08 -0.10 0.00 0.00 175.22 175.52 1srn s VAL 47 N -0.35 3.41 -0.92 -0.44 1.01 0.18 -0.31 120.40 122.98 1srn s VAL 47 Ca 0.08 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 1srn s VAL 47 Cb -0.12 -2.48 0.30 0.00 0.00 0.00 0.00 36.38 34.08 1srn s VAL 47 CO 0.02 0.50 1.28 1.41 0.00 0.00 0.00 175.10 178.31 1srn n HIS 48 N 3.72 2.80 -4.09 5.22 -0.00 -0.25 -1.49 115.22 121.13 1srn n HIS 48 Ca -0.18 -3.11 -0.09 0.00 -0.00 0.00 0.00 57.72 54.34 1srn n HIS 48 Cb 0.52 -1.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.42 1srn n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1srn s GLU 49 N -2.93 0.95 0.46 -0.41 0.41 -1.26 -4.54 118.70 111.38 1srn s GLU 49 Ca 0.36 -1.35 -0.21 0.00 -0.41 0.00 0.00 54.97 53.36 1srn s GLU 49 Cb 0.11 0.27 -0.09 0.00 -1.78 0.00 0.00 34.13 32.64 1srn s GLU 49 CO 0.03 -0.29 1.00 -1.54 -0.49 0.00 0.00 175.26 173.98 1srn s SER 50 N -3.02 6.59 0.44 -0.19 1.04 -1.26 -4.23 113.70 113.07 1srn s SER 50 Ca 0.21 1.84 0.13 0.00 0.48 0.00 0.00 55.95 58.61 1srn s SER 50 Cb 0.06 -2.55 1.03 0.00 0.10 0.00 0.00 66.02 64.66 1srn s SER 50 CO 0.00 -0.61 2.00 0.25 0.98 0.00 0.00 173.24 175.86 1srn h LEU 51 N 1.73 0.35 -0.95 2.42 5.85 -1.97 -1.06 115.31 121.68 1srn h LEU 51 Ca -0.49 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 1srn h LEU 51 Cb 1.20 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 1srn h LEU 51 CO 0.60 0.22 0.19 0.00 -0.34 0.00 0.00 178.44 179.11 1srn h ALA 52 N 1.72 1.15 -0.40 1.25 0.00 -1.99 0.31 119.26 121.29 1srn h ALA 52 Ca 0.25 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1srn h ALA 52 Cb 0.46 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1srn h ALA 52 CO -0.07 0.58 0.02 -0.44 0.00 0.00 0.00 179.25 179.35 1srn h ASP 53 N 0.92 0.59 0.11 0.00 3.32 -1.59 -1.04 116.42 118.73 1srn h ASP 53 Ca 0.20 -0.12 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 1srn h ASP 53 Cb 0.28 -0.16 0.02 0.00 0.22 0.00 0.00 39.33 39.69 1srn h ASP 53 CO -0.01 0.65 -0.66 0.58 -1.72 0.00 0.00 179.24 178.08 1srn h VAL 54 N 0.60 1.56 -0.92 -1.35 2.07 -0.88 -3.23 116.25 114.09 1srn h VAL 54 Ca 0.13 -2.48 0.11 0.00 0.82 0.00 0.00 66.70 65.28 1srn h VAL 54 Cb 0.35 3.21 -0.07 0.00 -1.52 0.00 0.00 31.29 33.26 1srn h VAL 54 CO 0.01 0.69 0.59 1.56 0.02 0.00 0.00 177.57 180.44 1srn h GLN 55 N -0.47 0.86 -0.03 1.57 4.20 -0.28 0.14 115.11 121.11 1srn h GLN 55 Ca -0.11 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.55 1srn h GLN 55 Cb 1.51 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 29.10 1srn h GLN 55 CO 0.12 0.57 0.04 0.00 -0.67 0.00 0.00 178.83 178.90 1srn h ALA 56 N 1.56 1.44 -0.10 3.87 0.00 -1.25 -1.51 119.26 123.27 1srn h ALA 56 Ca 0.44 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.38 1srn h ALA 56 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1srn h ALA 56 CO -0.20 -0.05 0.12 0.28 0.00 0.00 0.00 179.25 179.40 1srn h VAL 57 N 0.00 0.45 0.00 0.00 2.07 -0.73 -0.42 116.25 117.62 1srn h VAL 57 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1srn h VAL 57 Cb 0.09 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1srn h VAL 57 CO -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1srn n SER 59 N -1.31 2.09 0.00 0.00 3.41 -0.17 -5.02 113.62 112.62 1srn n SER 59 Ca 0.07 -3.47 0.00 0.00 -0.26 0.00 0.00 58.87 55.21 1srn n SER 59 Cb 0.13 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1srn n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1srn n GLN 60 N -1.28 2.98 -2.52 4.33 6.02 -0.58 -5.03 117.38 121.30 1srn n GLN 60 Ca 0.18 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.74 1srn n GLN 60 Cb 0.67 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.91 1srn n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1srn s LYS 61 N 4.99 3.91 -0.04 -1.09 2.47 -0.92 -4.86 119.74 124.20 1srn s LYS 61 Ca 0.00 1.05 -0.30 0.00 -1.56 0.00 0.00 55.97 55.16 1srn s LYS 61 Cb 0.00 -3.85 -0.04 0.00 -1.46 0.00 0.00 37.83 32.48 1srn s LYS 61 CO 0.00 -1.13 1.37 1.21 0.16 0.00 0.00 175.35 176.96 1srn s ASN 62 N 2.44 6.89 0.17 1.43 3.04 -1.26 1.00 114.94 128.65 1srn s ASN 62 Ca 0.52 2.00 0.02 0.00 0.04 0.00 0.00 52.86 55.44 1srn s ASN 62 Cb -0.13 -2.55 -0.05 0.00 -1.54 0.00 0.00 41.25 36.98 1srn s ASN 62 CO 0.23 -0.72 -0.01 0.68 -3.04 0.00 0.00 177.10 174.24 1srn s VAL 63 N 2.69 0.75 0.37 -5.21 -7.23 -0.53 -4.93 120.40 106.32 1srn s VAL 63 Ca 0.62 -1.99 -0.22 0.00 -1.81 0.00 0.00 61.98 58.58 1srn s VAL 63 Cb -0.29 -2.09 -0.10 0.00 0.56 0.00 0.00 36.38 34.46 1srn s VAL 63 CO 0.24 -0.51 0.91 0.00 -0.31 0.00 0.00 175.10 175.43 1srn s ALA 64 N -3.61 3.15 0.79 1.32 0.00 -1.26 -3.17 121.76 118.98 1srn s ALA 64 Ca 0.23 0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.46 1srn s ALA 64 Cb 0.06 -3.09 0.09 0.00 0.00 0.00 0.00 23.12 20.17 1srn s ALA 64 CO 0.04 0.18 1.14 0.00 0.00 0.00 0.00 175.76 177.12 1srn h LYS 66 N -0.97 1.22 -0.06 0.00 1.63 -1.97 -0.99 116.57 115.43 1srn h LYS 66 Ca -0.45 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.27 1srn h LYS 66 Cb 1.32 -0.28 0.00 0.00 -0.60 0.00 0.00 32.23 32.67 1srn h LYS 66 CO 0.62 0.81 0.00 0.27 -3.45 0.00 0.00 179.45 177.70 1srn n ASN 67 N -4.45 0.52 0.00 4.20 6.94 -1.26 -4.89 115.26 116.32 1srn n ASN 67 Ca 0.13 -1.62 0.00 0.00 -0.02 0.00 0.00 54.58 53.07 1srn n ASN 67 Cb 0.07 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 1srn n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1srn n GLY 68 N 0.84 1.63 3.30 4.83 0.00 -0.37 -5.04 105.19 110.38 1srn n GLY 68 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 1srn n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1srn n GLN 69 N -2.00 -3.04 -0.18 1.61 6.02 -1.26 -4.59 117.38 113.94 1srn n GLN 69 Ca 0.00 -0.88 0.06 0.00 -0.01 0.00 0.00 57.00 56.17 1srn n GLN 69 Cb 0.00 -1.92 0.09 0.00 1.02 0.00 0.00 30.24 29.43 1srn n GLN 69 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1srn n THR 70 N -5.09 1.23 -1.32 5.09 5.66 -1.26 -1.04 114.28 117.56 1srn n THR 70 Ca 0.05 -1.47 -0.25 0.00 -3.05 0.00 0.00 64.05 59.33 1srn n THR 70 Cb 0.55 0.07 0.14 0.00 -1.55 0.00 0.00 70.33 69.55 1srn n THR 70 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1srn n ASN 71 N -0.92 4.91 -4.81 1.09 2.04 -1.26 -4.74 115.26 111.57 1srn n ASN 71 Ca 0.10 -3.69 -0.31 0.00 -0.44 0.00 0.00 54.58 50.23 1srn n ASN 71 Cb 0.62 -0.84 -0.06 0.00 -2.53 0.00 0.00 39.78 36.96 1srn n ASN 71 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1srn s TYR 73 N -1.34 0.50 -0.10 0.00 2.02 0.00 -1.45 117.35 116.98 1srn s TYR 73 Ca 0.28 -0.10 -0.04 0.00 -0.37 0.00 0.00 57.07 56.85 1srn s TYR 73 Cb -0.12 -0.40 -0.04 0.00 -0.40 0.00 0.00 41.96 41.00 1srn s TYR 73 CO 0.20 -0.07 0.04 -1.14 -1.57 0.00 0.00 175.55 173.01 1srn s GLN 74 N 0.32 3.17 0.56 -0.62 0.74 0.28 -1.97 119.66 122.13 1srn s GLN 74 Ca -0.03 -0.33 -0.19 0.00 0.05 0.00 0.00 55.36 54.85 1srn s GLN 74 Cb -0.07 -2.92 -0.05 0.00 1.10 0.00 0.00 33.01 31.07 1srn s GLN 74 CO -0.00 0.69 1.15 -1.54 -0.55 0.00 0.00 175.29 175.04 1srn s SER 75 N -0.83 5.55 0.19 6.67 1.04 -0.64 -2.17 113.70 123.50 1srn s SER 75 Ca 0.13 2.21 0.02 0.00 0.48 0.00 0.00 55.95 58.80 1srn s SER 75 Cb -0.12 -2.58 0.10 0.00 0.10 0.00 0.00 66.02 63.52 1srn s SER 75 CO 0.03 -1.34 1.45 1.88 0.98 0.00 0.00 173.24 176.24 1srn h TYR 76 N 1.03 0.36 -2.07 5.02 0.05 -1.95 -3.44 116.97 115.97 1srn h TYR 76 Ca -0.50 -0.17 -0.55 0.00 0.05 0.00 0.00 58.73 57.57 1srn h TYR 76 Cb 1.27 -0.05 -0.08 0.00 1.01 0.00 0.00 36.73 38.88 1srn h TYR 76 CO 0.50 0.91 -0.59 0.45 -1.05 0.00 0.00 178.16 178.39 1srn s SER 77 N -6.93 4.71 0.52 3.88 0.15 -1.26 -5.09 113.70 109.68 1srn s SER 77 Ca -0.04 -0.65 -0.17 0.00 0.70 0.00 0.00 55.95 55.79 1srn s SER 77 Cb 0.11 -0.86 -0.08 0.00 -1.71 0.00 0.00 66.02 63.48 1srn s SER 77 CO 0.82 -0.12 0.99 0.42 1.20 0.00 0.00 173.24 176.55 1srn s THR 78 N -2.34 4.42 0.13 6.45 -4.23 -1.26 -4.50 115.64 114.31 1srn s THR 78 Ca 0.34 1.19 0.04 0.00 -1.18 0.00 0.00 61.69 62.09 1srn s THR 78 Cb -0.05 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 1srn s THR 78 CO 0.22 -0.63 -0.10 -0.04 -0.54 0.00 0.00 174.62 173.52 1srn s MET 79 N -3.99 0.98 -0.17 3.99 -1.94 0.39 -4.77 119.30 113.79 1srn s MET 79 Ca 0.60 -1.34 -0.29 0.00 -1.71 0.00 0.00 55.69 52.95 1srn s MET 79 Cb -0.11 -0.60 -0.02 0.00 2.01 0.00 0.00 34.83 36.12 1srn s MET 79 CO 0.30 0.08 1.34 0.45 -0.01 0.00 0.00 175.02 177.19 1srn s SER 80 N -2.88 6.84 0.04 3.03 0.15 -1.26 -0.86 113.70 118.77 1srn s SER 80 Ca 0.12 1.71 -0.00 0.00 0.70 0.00 0.00 55.95 58.48 1srn s SER 80 Cb 0.00 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 1srn s SER 80 CO 0.00 -0.85 -0.04 0.27 1.20 0.00 0.00 173.24 173.83 1srn s ILE 81 N 3.77 0.25 -0.14 6.45 -5.25 0.12 -1.09 121.20 125.31 1srn s ILE 81 Ca 0.58 -1.45 0.01 0.00 -0.99 0.00 0.00 60.65 58.80 1srn s ILE 81 Cb -0.23 -1.02 0.02 0.00 2.95 0.00 0.00 42.46 44.18 1srn s ILE 81 CO 0.18 -0.76 -0.15 -0.89 -1.79 0.00 0.00 174.94 171.53 1srn s THR 82 N -2.83 1.59 -0.23 8.37 2.01 0.58 -0.65 115.64 124.48 1srn s THR 82 Ca -0.02 -0.65 -0.20 0.00 0.31 0.00 0.00 61.69 61.13 1srn s THR 82 Cb -0.00 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 1srn s THR 82 CO -0.06 0.46 0.60 -0.62 -0.69 0.00 0.00 174.62 174.31 1srn s ASP 83 N 1.41 6.59 -0.15 3.53 2.15 0.28 0.22 116.67 130.70 1srn s ASP 83 Ca 0.03 0.72 0.00 0.00 0.43 0.00 0.00 52.55 53.73 1srn s ASP 83 Cb -0.13 -2.33 -0.01 0.00 -0.30 0.00 0.00 42.92 40.16 1srn s ASP 83 CO -0.10 -0.30 -0.14 0.00 -0.17 0.00 0.00 175.17 174.46 1srn s ARG 85 N 0.68 0.89 0.22 0.00 6.06 -0.86 -0.57 118.95 125.37 1srn s ARG 85 Ca -0.07 -0.12 -0.31 0.00 -2.50 0.00 0.00 55.73 52.73 1srn s ARG 85 Cb -0.16 -0.88 -0.10 0.00 0.06 0.00 0.00 34.95 33.87 1srn s ARG 85 CO 0.02 -0.08 1.54 -2.00 -2.50 0.00 0.00 175.30 172.28 1srn s GLU 86 N 0.92 4.21 0.88 5.12 2.12 0.23 -0.67 118.70 131.50 1srn s GLU 86 Ca -0.11 2.39 -0.12 0.00 0.36 0.00 0.00 54.97 57.50 1srn s GLU 86 Cb -0.14 -3.11 0.12 0.00 0.26 0.00 0.00 34.13 31.25 1srn s GLU 86 CO 0.00 -0.56 1.10 0.95 -0.54 0.00 0.00 175.26 176.22 1srn s THR 87 N 0.56 2.60 0.21 -1.70 -4.23 -0.04 -4.86 115.64 108.17 1srn s THR 87 Ca 0.66 0.20 -0.10 0.00 -1.18 0.00 0.00 61.69 61.26 1srn s THR 87 Cb -0.44 -2.82 0.14 0.00 1.34 0.00 0.00 72.50 70.71 1srn s THR 87 CO 0.38 -0.26 1.79 1.23 -0.54 0.00 0.00 174.62 177.23 1srn h GLY 88 N -1.42 0.93 1.85 3.99 0.00 -1.93 -1.97 103.07 104.52 1srn h GLY 88 Ca -0.49 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1srn h GLY 88 CO 0.58 0.12 -0.12 1.48 0.00 0.00 0.00 176.54 178.60 1srn h SER 89 N 0.62 0.00 -2.18 0.19 4.64 -1.96 -3.46 113.55 111.39 1srn h SER 89 Ca 0.29 -0.03 -0.58 0.00 -0.47 0.00 0.00 61.79 61.00 1srn h SER 89 Cb 0.22 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1srn h SER 89 CO -0.20 0.01 1.12 -0.24 -0.87 0.00 0.00 176.83 176.65 1srn n SER 90 N -2.49 3.69 -3.85 4.97 2.88 -0.74 -4.95 113.62 113.13 1srn n SER 90 Ca 0.05 0.96 -0.25 0.00 -1.33 0.00 0.00 58.87 58.30 1srn n SER 90 Cb 0.46 -1.44 -0.17 0.00 -0.75 0.00 0.00 64.21 62.32 1srn n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1srn s LYS 91 N 3.83 1.11 0.36 -1.46 2.47 -1.15 -4.89 119.74 120.01 1srn s LYS 91 Ca 0.90 -0.09 -0.28 0.00 -1.56 0.00 0.00 55.97 54.94 1srn s LYS 91 Cb -0.60 -1.31 -0.10 0.00 -1.46 0.00 0.00 37.83 34.36 1srn s LYS 91 CO 0.47 -0.28 1.37 -0.47 0.16 0.00 0.00 175.35 176.59 1srn s TYR 92 N 1.82 2.84 -2.03 4.03 5.04 -1.26 -0.32 117.35 127.48 1srn s TYR 92 Ca 0.05 1.33 0.10 0.00 -2.44 0.00 0.00 57.07 56.11 1srn s TYR 92 Cb -0.12 -3.80 0.49 0.00 0.35 0.00 0.00 41.96 38.88 1srn s TYR 92 CO -0.07 -2.29 1.33 -0.35 -1.34 0.00 0.00 175.55 172.83 1srn n PRO 93 N 0.54 1.20 -3.01 4.97 -0.04 -1.26 -4.97 135.00 132.44 1srn n PRO 93 Ca 0.01 -0.31 -0.44 0.00 -0.04 0.00 0.00 63.50 62.72 1srn n PRO 93 Cb 0.41 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 1srn n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1srn n ASN 94 N -0.35 5.34 -4.67 3.54 4.13 0.57 -4.98 115.26 118.84 1srn n ASN 94 Ca 0.08 -3.02 -0.43 0.00 1.68 0.00 0.00 54.58 52.89 1srn n ASN 94 Cb 0.10 -1.50 -0.02 0.00 -1.54 0.00 0.00 39.78 36.82 1srn n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1srn s ALA 96 N 2.78 2.41 0.01 0.00 0.00 -1.26 -4.97 121.76 120.73 1srn s ALA 96 Ca 0.50 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 51.38 1srn s ALA 96 Cb -0.19 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 1srn s ALA 96 CO 0.14 0.55 -0.09 0.71 0.00 0.00 0.00 175.76 177.07 1srn s TYR 97 N -0.74 0.79 -0.13 0.00 2.02 -1.26 -0.86 117.35 117.16 1srn s TYR 97 Ca 0.12 -0.21 -0.21 0.00 -0.37 0.00 0.00 57.07 56.40 1srn s TYR 97 Cb -0.10 -0.50 -0.03 0.00 -0.40 0.00 0.00 41.96 40.93 1srn s TYR 97 CO 0.01 -0.01 0.61 0.21 -1.57 0.00 0.00 175.55 174.80 1srn s LYS 98 N -0.47 4.32 -0.20 -0.62 2.20 0.16 -4.66 119.74 120.46 1srn s LYS 98 Ca 0.01 0.65 -0.06 0.00 -0.36 0.00 0.00 55.97 56.22 1srn s LYS 98 Cb -0.05 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 1srn s LYS 98 CO -0.00 -0.04 0.03 -0.08 -0.36 0.00 0.00 175.35 174.90 1srn s THR 99 N 1.21 4.30 -0.16 3.43 -1.32 -1.26 -2.03 115.64 119.82 1srn s THR 99 Ca 0.31 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.59 1srn s THR 99 Cb -0.16 -2.95 0.03 0.00 -1.51 0.00 0.00 72.50 67.91 1srn s THR 99 CO 0.13 0.42 -0.12 -0.89 -2.21 0.00 0.00 174.62 171.95 1srn s THR 100 N 0.86 1.49 -0.10 5.08 2.01 -0.32 -4.96 115.64 119.71 1srn s THR 100 Ca 0.02 -0.67 -0.10 0.00 0.31 0.00 0.00 61.69 61.24 1srn s THR 100 Cb -0.14 -1.46 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 1srn s THR 100 CO 0.02 0.36 0.24 -1.58 -0.69 0.00 0.00 174.62 172.97 1srn s GLN 101 N 1.51 3.76 0.15 4.92 2.00 -1.26 1.00 119.66 131.73 1srn s GLN 101 Ca 0.03 0.06 -0.25 0.00 -2.00 0.00 0.00 55.36 53.20 1srn s GLN 101 Cb -0.14 -3.25 0.07 0.00 0.80 0.00 0.00 33.01 30.49 1srn s GLN 101 CO -0.10 0.64 0.98 0.00 -0.50 0.00 0.00 175.29 176.32 1srn s ALA 102 N -0.72 -1.68 -0.18 1.58 0.00 0.18 -4.99 121.76 115.95 1srn s ALA 102 Ca 0.17 0.12 -0.02 0.00 0.00 0.00 0.00 51.96 52.23 1srn s ALA 102 Cb -0.13 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 1srn s ALA 102 CO 0.06 -1.05 -0.08 -0.80 0.00 0.00 0.00 175.76 173.89 1srn s ASN 103 N -2.98 4.19 0.23 0.00 0.01 -1.26 0.16 114.94 115.30 1srn s ASN 103 Ca 0.13 -0.35 -0.23 0.00 -0.71 0.00 0.00 52.86 51.71 1srn s ASN 103 Cb -0.01 -1.68 0.04 0.00 0.41 0.00 0.00 41.25 40.00 1srn s ASN 103 CO 0.02 0.08 0.81 -0.54 -1.51 0.00 0.00 177.10 175.96 1srn s LYS 104 N 0.89 1.55 0.45 -0.60 1.02 -0.04 -4.79 119.74 118.23 1srn s LYS 104 Ca -0.02 -0.86 -0.15 0.00 0.02 0.00 0.00 55.97 54.96 1srn s LYS 104 Cb -0.15 0.53 -0.08 0.00 -0.52 0.00 0.00 37.83 37.61 1srn s LYS 104 CO 0.00 -0.71 0.88 -1.01 -0.92 0.00 0.00 175.35 173.60 1srn s HIS 105 N -3.67 3.43 0.21 3.18 3.76 -1.26 0.15 115.29 121.09 1srn s HIS 105 Ca 0.11 1.32 0.11 0.00 -0.15 0.00 0.00 55.06 56.45 1srn s HIS 105 Cb -0.04 -2.66 -0.05 0.00 1.11 0.00 0.00 32.58 30.94 1srn s HIS 105 CO 0.05 -0.20 -0.21 0.96 -0.85 0.00 0.00 174.74 174.49 1srn s ILE 106 N -2.42 2.20 -0.04 0.60 -4.36 -1.26 -4.92 121.20 111.01 1srn s ILE 106 Ca 0.56 -2.13 0.04 0.00 -0.26 0.00 0.00 60.65 58.86 1srn s ILE 106 Cb -0.10 -2.10 -0.00 0.00 1.25 0.00 0.00 42.46 41.51 1srn s ILE 106 CO 0.27 -0.29 -0.15 -0.63 0.24 0.00 0.00 174.94 174.39 1srn s ILE 107 N -2.12 1.22 0.04 8.37 1.01 -1.26 -1.62 121.20 126.83 1srn s ILE 107 Ca 0.22 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 1srn s ILE 107 Cb -0.06 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1srn s ILE 107 CO 0.10 0.36 0.03 0.68 0.00 0.00 0.00 174.94 176.11 1srn s VAL 108 N 0.07 0.15 0.10 2.92 -7.23 -0.83 -4.93 120.40 110.65 1srn s VAL 108 Ca -0.03 -1.22 -0.13 0.00 -1.81 0.00 0.00 61.98 58.79 1srn s VAL 108 Cb -0.10 -0.87 -0.06 0.00 0.56 0.00 0.00 36.38 35.90 1srn s VAL 108 CO 0.01 -0.67 0.48 0.00 -0.31 0.00 0.00 175.10 174.61 1srn s ALA 109 N -2.61 3.65 0.03 1.32 0.00 -1.26 -0.82 121.76 122.07 1srn s ALA 109 Ca -0.05 -0.23 0.09 0.00 0.00 0.00 0.00 51.96 51.76 1srn s ALA 109 Cb -0.01 -2.41 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 1srn s ALA 109 CO -0.05 0.50 -0.25 0.00 0.00 0.00 0.00 175.76 175.96 1srn s GLU 111 N -1.11 0.81 -0.06 0.00 2.02 -1.26 -4.86 118.70 114.25 1srn s GLU 111 Ca 0.12 -1.22 -0.30 0.00 0.02 0.00 0.00 54.97 53.59 1srn s GLU 111 Cb -0.10 -0.34 -0.04 0.00 0.10 0.00 0.00 34.13 33.75 1srn s GLU 111 CO 0.02 0.02 1.45 0.20 0.02 0.00 0.00 175.26 176.97 1srn s GLY 112 N -2.70 1.70 0.00 -1.39 0.00 -1.26 -5.13 107.32 98.54 1srn s GLY 112 Ca 0.08 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.58 1srn s GLY 112 CO -0.02 2.68 0.00 -2.01 0.00 0.00 0.00 173.10 173.74