#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9i s SER 2 N 0.00 5.23 0.01 1.61 0.15 -1.26 -5.14 113.70 114.31 2e9i s SER 2 Ca 0.00 -0.34 -0.01 0.00 0.70 0.00 0.00 55.95 56.30 2e9i s SER 2 Cb 0.00 -1.25 -0.02 0.00 -1.71 0.00 0.00 66.02 63.05 2e9i s SER 2 CO 0.00 -0.01 -0.01 -0.94 1.20 0.00 0.00 173.24 173.49 2e9i s SER 3 N -3.65 0.19 0.00 5.45 1.04 -1.26 -5.14 113.70 110.33 2e9i s SER 3 Ca 0.32 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2e9i s SER 3 Cb -0.08 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.15 2e9i s SER 3 CO 0.23 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.79 2e9i n GLY 4 N 1.75 4.58 3.79 7.32 0.00 -1.26 -5.13 105.19 116.25 2e9i n GLY 4 Ca -0.22 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 2e9i n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e9i s SER 5 N 0.00 6.75 -0.21 1.61 0.01 -1.26 -5.05 113.70 115.54 2e9i s SER 5 Ca 0.00 1.97 -0.04 0.00 1.31 0.00 0.00 55.95 59.19 2e9i s SER 5 Cb 0.00 -2.58 0.10 0.00 0.21 0.00 0.00 66.02 63.76 2e9i s SER 5 CO 0.00 -0.49 0.26 -0.55 0.41 0.00 0.00 173.24 172.86 2e9i s SER 6 N -1.70 1.13 0.23 2.44 0.15 -1.26 -5.11 113.70 109.58 2e9i s SER 6 Ca 0.59 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2e9i s SER 6 Cb -0.19 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2e9i s SER 6 CO 0.24 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2e9i n GLY 7 N 5.33 -2.98 3.62 9.45 0.00 -1.26 -5.08 105.19 114.27 2e9i n GLY 7 Ca -0.05 -1.27 -0.09 0.00 0.00 0.00 0.00 46.02 44.61 2e9i n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2e9i s ARG 8 N -3.68 1.51 -0.45 1.61 3.03 -1.26 -5.11 118.95 114.61 2e9i s ARG 8 Ca 0.00 -0.83 -0.42 0.00 2.03 0.00 0.00 55.73 56.51 2e9i s ARG 8 Cb 0.00 0.57 -0.18 0.00 -1.03 0.00 0.00 34.95 34.31 2e9i s ARG 8 CO 0.00 -0.67 1.46 0.28 -1.13 0.00 0.00 175.30 175.24 2e9i n VAL 9 N -0.40 0.00 -5.25 4.99 0.31 -1.26 -4.92 118.33 111.80 2e9i n VAL 9 Ca -0.09 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.92 2e9i n VAL 9 Cb 0.62 -0.45 -0.16 0.00 -0.91 0.00 0.00 33.84 32.94 2e9i n VAL 9 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2e9i s LYS 10 N 2.85 2.63 0.54 5.55 -0.14 -1.26 -5.14 119.74 124.77 2e9i s LYS 10 Ca 0.95 -0.90 0.04 0.00 -1.36 0.00 0.00 55.97 54.69 2e9i s LYS 10 Cb -1.34 -2.19 0.03 0.00 -1.68 0.00 0.00 37.83 32.65 2e9i s LYS 10 CO 0.72 0.36 0.26 -1.21 -0.76 0.00 0.00 175.35 174.72 2e9i s GLU 11 N -0.10 2.23 -0.28 1.68 8.01 -1.26 -5.12 118.70 123.87 2e9i s GLU 11 Ca -0.06 -2.19 0.01 0.00 0.01 0.00 0.00 54.97 52.75 2e9i s GLU 11 Cb -0.14 -1.88 0.06 0.00 -4.31 0.00 0.00 34.13 27.86 2e9i s GLU 11 CO 0.04 -0.56 -0.07 -1.12 0.01 0.00 0.00 175.26 173.57 2e9i s SER 12 N -4.15 4.61 -0.16 -0.19 0.01 -1.26 -4.94 113.70 107.62 2e9i s SER 12 Ca 0.22 -1.38 0.17 0.00 1.31 0.00 0.00 55.95 56.27 2e9i s SER 12 Cb -0.01 -1.61 0.34 0.00 0.21 0.00 0.00 66.02 64.95 2e9i s SER 12 CO 0.14 -0.22 1.19 2.30 0.41 0.00 0.00 173.24 177.06 2e9i n ILE 13 N 4.49 2.01 -3.44 1.44 -0.00 -1.26 -5.04 119.36 117.57 2e9i n ILE 13 Ca -0.13 -2.50 -0.34 0.00 -0.00 0.00 0.00 62.75 59.78 2e9i n ILE 13 Cb 0.42 -0.24 -0.05 0.00 -0.00 0.00 0.00 39.64 39.77 2e9i n ILE 13 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 2e9i s THR 14 N -2.98 4.95 -0.15 7.28 -4.23 -1.26 -5.00 115.64 114.25 2e9i s THR 14 Ca 0.34 0.57 0.14 0.00 -1.18 0.00 0.00 61.69 61.57 2e9i s THR 14 Cb 0.31 -3.67 0.37 0.00 1.34 0.00 0.00 72.50 70.86 2e9i s THR 14 CO 0.01 0.11 1.19 -2.11 -0.54 0.00 0.00 174.62 173.28 2e9i n ARG 15 N 0.40 1.19 -0.26 3.99 -4.01 -1.26 -4.87 116.66 111.85 2e9i n ARG 15 Ca -0.03 -2.84 0.04 0.00 -1.04 0.00 0.00 57.85 53.98 2e9i n ARG 15 Cb 0.52 -1.28 0.09 0.00 -3.04 0.00 0.00 32.46 28.75 2e9i n ARG 15 CO 0.00 0.00 0.00 2.41 -3.04 0.00 0.00 177.63 177.00 2e9i n THR 16 N -0.87 -0.30 -2.33 8.89 -1.04 -1.26 -3.69 114.28 113.68 2e9i n THR 16 Ca 0.15 1.62 -0.42 0.00 -2.04 0.00 0.00 64.05 63.37 2e9i n THR 16 Cb 0.75 -2.24 -0.03 0.00 -1.82 0.00 0.00 70.33 67.00 2e9i n THR 16 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2e9i s SER 17 N -5.19 6.12 0.00 8.00 0.01 -1.26 -4.78 113.70 116.60 2e9i s SER 17 Ca -0.11 0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.69 2e9i s SER 17 Cb 0.19 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2e9i s SER 17 CO 0.55 -1.67 0.77 -2.11 0.41 0.00 0.00 173.24 171.18 2e9i n ARG 18 N 8.49 1.28 -3.89 12.44 -4.01 -1.24 -5.03 116.66 124.70 2e9i n ARG 18 Ca 0.15 -1.04 -0.11 0.00 -1.04 0.00 0.00 57.85 55.81 2e9i n ARG 18 Cb 0.49 -0.97 -0.12 0.00 -3.04 0.00 0.00 32.46 28.82 2e9i n ARG 18 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2e9i s ALA 19 N -0.56 -0.09 -0.28 2.89 0.00 -1.26 -5.12 121.76 117.34 2e9i s ALA 19 Ca 0.00 -0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.56 2e9i s ALA 19 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 2e9i s ALA 19 CO 0.00 -0.10 1.65 -1.25 0.00 0.00 0.00 175.76 176.07 2e9i s PRO 20 N -0.65 3.60 -0.20 0.00 0.04 -1.26 -4.97 135.00 131.57 2e9i s PRO 20 Ca -0.07 1.49 -0.05 0.00 0.04 0.00 0.00 61.00 62.40 2e9i s PRO 20 Cb -0.04 -4.09 0.10 0.00 0.04 0.00 0.00 34.50 30.50 2e9i s PRO 20 CO -0.00 -1.53 0.36 -1.12 0.04 0.00 0.00 177.00 174.75 2e9i s SER 21 N 4.85 0.17 0.15 6.66 0.01 -1.26 -5.16 113.70 119.13 2e9i s SER 21 Ca 0.73 0.55 -0.06 0.00 1.31 0.00 0.00 55.95 58.48 2e9i s SER 21 Cb -0.23 1.05 -0.06 0.00 0.21 0.00 0.00 66.02 67.00 2e9i s SER 21 CO 0.31 -0.26 0.41 0.68 0.41 0.00 0.00 173.24 174.79 2e9i s VAL 22 N 2.53 5.12 -0.03 3.43 -7.23 -1.26 -5.04 120.40 117.91 2e9i s VAL 22 Ca 0.05 0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 2e9i s VAL 22 Cb -0.13 -3.62 0.03 0.00 0.56 0.00 0.00 36.38 33.21 2e9i s VAL 22 CO -0.13 0.04 0.02 0.00 -0.31 0.00 0.00 175.10 174.72 2e9i s ALA 23 N -1.66 0.20 0.47 1.32 0.00 -1.26 -5.06 121.76 115.77 2e9i s ALA 23 Ca 0.41 0.23 0.08 0.00 0.00 0.00 0.00 51.96 52.68 2e9i s ALA 23 Cb -0.12 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.72 2e9i s ALA 23 CO 0.23 -0.10 0.47 -0.08 0.00 0.00 0.00 175.76 176.28 2e9i s THR 24 N 1.07 2.39 -0.12 0.00 -1.32 -1.26 -2.86 115.64 113.55 2e9i s THR 24 Ca -0.09 -1.29 -0.02 0.00 -1.21 0.00 0.00 61.69 59.08 2e9i s THR 24 Cb -0.13 -2.68 -0.03 0.00 -1.51 0.00 0.00 72.50 68.15 2e9i s THR 24 CO -0.02 0.00 -0.03 0.54 -2.21 0.00 0.00 174.62 172.89 2e9i s VAL 25 N -2.56 3.97 0.00 5.08 0.11 -1.20 -4.63 120.40 121.17 2e9i s VAL 25 Ca 0.48 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 2e9i s VAL 25 Cb -0.04 -2.70 0.00 0.00 -1.53 0.00 0.00 36.38 32.11 2e9i s VAL 25 CO 0.29 0.54 0.00 0.61 -3.33 0.00 0.00 175.10 173.21 2e9i n GLY 26 N 2.89 0.52 3.58 6.54 0.00 -1.26 -4.86 105.19 112.60 2e9i n GLY 26 Ca -0.18 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 2e9i n GLY 26 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e9i s SER 27 N -2.98 -0.43 -0.77 1.61 0.15 -1.26 -5.09 113.70 104.93 2e9i s SER 27 Ca 0.00 0.56 -0.25 0.00 0.70 0.00 0.00 55.95 56.95 2e9i s SER 27 Cb 0.00 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.75 2e9i s SER 27 CO 0.00 -0.33 1.92 -0.63 1.20 0.00 0.00 173.24 175.40 2e9i s ILE 28 N -0.81 3.39 -0.04 6.45 1.01 -1.26 -4.45 121.20 125.49 2e9i s ILE 28 Ca -0.02 -0.11 -0.23 0.00 0.00 0.00 0.00 60.65 60.30 2e9i s ILE 28 Cb -0.01 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 2e9i s ILE 28 CO 0.01 -0.91 0.67 0.00 0.00 0.00 0.00 174.94 174.71 2e9i s ASP 30 N 0.48 6.36 -0.43 0.00 1.47 -1.26 -2.83 116.67 120.46 2e9i s ASP 30 Ca 0.35 0.18 -0.17 0.00 1.18 0.00 0.00 52.55 54.09 2e9i s ASP 30 Cb -0.18 -2.27 0.03 0.00 -0.34 0.00 0.00 42.92 40.15 2e9i s ASP 30 CO 0.18 -0.41 0.44 -0.22 0.68 0.00 0.00 175.17 175.84 2e9i s LEU 31 N 2.37 4.92 -0.15 2.11 2.96 0.41 -4.92 118.68 126.38 2e9i s LEU 31 Ca 0.20 -0.73 -0.13 0.00 -0.22 0.00 0.00 54.13 53.25 2e9i s LEU 31 Cb -0.15 -2.37 -0.05 0.00 0.50 0.00 0.00 46.19 44.12 2e9i s LEU 31 CO 0.12 -0.60 0.27 0.20 -1.32 0.00 0.00 176.35 175.02 2e9i s ASN 32 N 1.89 6.42 0.31 3.68 0.01 -1.26 -1.56 114.94 124.43 2e9i s ASN 32 Ca 0.12 0.50 0.03 0.00 -0.71 0.00 0.00 52.86 52.79 2e9i s ASN 32 Cb -0.18 -2.17 -0.05 0.00 0.41 0.00 0.00 41.25 39.27 2e9i s ASN 32 CO 0.13 0.14 0.09 -0.76 -1.51 0.00 0.00 177.10 175.19 2e9i s LEU 33 N 0.26 1.91 -0.66 0.60 1.43 -1.19 -5.07 118.68 115.96 2e9i s LEU 33 Ca 0.16 -1.43 -0.02 0.00 -1.03 0.00 0.00 54.13 51.81 2e9i s LEU 33 Cb -0.13 -0.15 0.17 0.00 0.03 0.00 0.00 46.19 46.11 2e9i s LEU 33 CO 0.04 -0.71 0.47 -0.54 0.23 0.00 0.00 176.35 175.84 2e9i s LYS 34 N -3.92 2.61 -0.08 1.70 -0.14 -1.26 -4.28 119.74 114.36 2e9i s LYS 34 Ca 0.36 -2.68 0.00 0.00 -1.36 0.00 0.00 55.97 52.28 2e9i s LYS 34 Cb 0.07 -3.71 -0.03 0.00 -1.68 0.00 0.00 37.83 32.49 2e9i s LYS 34 CO 0.15 -1.19 -0.06 0.42 -0.76 0.00 0.00 175.35 173.91 2e9i s ILE 35 N -0.33 3.74 0.00 2.17 1.01 -1.23 -5.05 121.20 121.50 2e9i s ILE 35 Ca 0.19 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.38 2e9i s ILE 35 Cb -0.19 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.74 2e9i s ILE 35 CO -0.05 0.59 0.00 -0.81 0.00 0.00 0.00 174.94 174.67 2e9i n PRO 36 N 2.40 -0.61 0.05 2.79 -0.04 -1.26 -3.84 135.00 134.49 2e9i n PRO 36 Ca -0.18 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.48 2e9i n PRO 36 Cb 0.53 0.00 0.55 0.00 -0.04 0.00 0.00 33.50 34.54 2e9i n PRO 36 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2e9i h GLU 37 N 0.00 0.00 -4.68 0.54 5.08 -1.97 -3.41 114.58 110.14 2e9i h GLU 37 Ca 0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 2e9i h GLU 37 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 2e9i h GLU 37 CO 0.00 0.00 0.40 -0.89 -1.00 0.00 0.00 179.01 177.52 2e9i n ILE 38 N -3.27 0.00 -0.98 3.13 5.41 -1.26 -4.89 119.36 117.51 2e9i n ILE 38 Ca 0.11 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.56 2e9i n ILE 38 Cb 0.96 -0.28 0.24 0.00 -0.71 0.00 0.00 39.64 39.85 2e9i n ILE 38 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 2e9i s ASN 39 N 1.70 0.80 -0.18 4.38 0.01 -1.26 -5.00 114.94 115.38 2e9i s ASN 39 Ca 0.79 0.74 0.07 0.00 -0.71 0.00 0.00 52.86 53.75 2e9i s ASN 39 Cb -1.12 -1.06 -0.22 0.00 0.41 0.00 0.00 41.25 39.26 2e9i s ASN 39 CO 0.59 -4.21 0.11 -1.54 -1.51 0.00 0.00 177.10 170.53 2e9i n SER 40 N -4.83 1.25 0.29 -1.22 3.41 -1.26 -3.94 113.62 107.31 2e9i n SER 40 Ca 0.12 0.05 0.13 0.00 -0.26 0.00 0.00 58.87 58.91 2e9i n SER 40 Cb 0.59 -0.02 0.62 0.00 -0.26 0.00 0.00 64.21 65.14 2e9i n SER 40 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2e9i h SER 41 N 0.01 0.00 0.12 4.04 0.02 -1.99 0.80 113.55 116.55 2e9i h SER 41 Ca -0.50 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.26 2e9i h SER 41 Cb 2.05 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.55 2e9i h SER 41 CO 0.00 0.00 -2.07 -0.67 -1.14 0.00 0.00 176.83 172.95 2e9i n ASP 42 N -2.91 0.14 -4.83 3.07 -0.08 -1.26 -4.96 116.55 105.73 2e9i n ASP 42 Ca 0.00 0.06 -0.32 0.00 -1.51 0.00 0.00 54.79 53.03 2e9i n ASP 42 Cb 0.59 1.26 0.00 0.00 2.34 0.00 0.00 41.12 45.30 2e9i n ASP 42 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 2e9i s MET 43 N -2.97 3.48 -0.11 -0.67 -1.94 0.28 -3.89 119.30 113.48 2e9i s MET 43 Ca -0.08 1.02 -0.04 0.00 -1.71 0.00 0.00 55.69 54.88 2e9i s MET 43 Cb 0.10 -2.06 0.06 0.00 2.01 0.00 0.00 34.83 34.93 2e9i s MET 43 CO 0.86 -0.66 0.19 -1.12 -0.01 0.00 0.00 175.02 174.27 2e9i s SER 44 N -3.26 0.80 -0.05 3.03 0.01 -1.04 -4.96 113.70 108.24 2e9i s SER 44 Ca 0.60 0.29 0.04 0.00 1.31 0.00 0.00 55.95 58.18 2e9i s SER 44 Cb -0.13 0.36 -0.03 0.00 0.21 0.00 0.00 66.02 66.43 2e9i s SER 44 CO 0.41 -0.26 -0.15 0.00 0.41 0.00 0.00 173.24 173.65 2e9i s ALA 45 N 2.32 2.62 -0.17 1.44 0.00 -1.26 -2.69 121.76 124.02 2e9i s ALA 45 Ca 0.03 -0.99 -0.15 0.00 0.00 0.00 0.00 51.96 50.85 2e9i s ALA 45 Cb -0.13 -0.93 0.04 0.00 0.00 0.00 0.00 23.12 22.11 2e9i s ALA 45 CO -0.07 0.55 0.44 -1.01 0.00 0.00 0.00 175.76 175.67 2e9i s HIS 46 N -0.72 -0.50 -0.50 0.00 3.76 -0.98 -2.92 115.29 113.44 2e9i s HIS 46 Ca 0.11 1.20 -0.18 0.00 -0.15 0.00 0.00 55.06 56.04 2e9i s HIS 46 Cb -0.11 0.18 0.06 0.00 1.11 0.00 0.00 32.58 33.82 2e9i s HIS 46 CO 0.00 -0.25 0.57 0.08 -0.85 0.00 0.00 174.74 174.30 2e9i s VAL 47 N 0.36 4.95 0.17 -0.90 1.01 -0.34 -0.34 120.40 125.31 2e9i s VAL 47 Ca -0.01 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 2e9i s VAL 47 Cb -0.04 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.02 2e9i s VAL 47 CO -0.01 -0.74 1.03 -0.89 0.00 0.00 0.00 175.10 174.48 2e9i s THR 48 N 2.43 4.10 0.18 3.92 2.01 0.11 -1.23 115.64 127.15 2e9i s THR 48 Ca 0.13 1.84 -0.06 0.00 0.31 0.00 0.00 61.69 63.91 2e9i s THR 48 Cb -0.20 -4.17 -0.06 0.00 0.01 0.00 0.00 72.50 68.08 2e9i s THR 48 CO 0.11 0.33 0.44 -0.44 -0.69 0.00 0.00 174.62 174.37 2e9i s SER 49 N -0.25 6.53 0.00 3.53 0.01 0.27 -3.12 113.70 120.66 2e9i s SER 49 Ca 0.47 0.69 0.12 0.00 1.31 0.00 0.00 55.95 58.55 2e9i s SER 49 Cb -0.27 -2.13 0.74 0.00 0.21 0.00 0.00 66.02 64.57 2e9i s SER 49 CO 0.33 -0.00 1.17 -0.81 0.41 0.00 0.00 173.24 174.33 2e9i n PRO 50 N -0.06 0.49 -0.00 12.44 -0.04 -1.24 -1.86 135.00 144.73 2e9i n PRO 50 Ca -0.01 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.48 2e9i n PRO 50 Cb 0.52 -1.40 -0.04 0.00 -0.04 0.00 0.00 33.50 32.54 2e9i n PRO 50 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2e9i n SER 51 N -0.90 1.05 0.00 3.54 3.41 -1.26 -4.96 113.62 114.51 2e9i n SER 51 Ca 0.09 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 2e9i n SER 51 Cb 0.04 1.08 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 2e9i n SER 51 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e9i n GLY 52 N 1.39 1.57 3.72 5.00 0.00 -0.78 -5.10 105.19 111.00 2e9i n GLY 52 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2e9i n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e9i s ARG 53 N -0.11 4.49 -0.02 1.61 0.52 -1.26 -4.77 118.95 119.41 2e9i s ARG 53 Ca 0.00 1.74 0.01 0.00 -0.52 0.00 0.00 55.73 56.96 2e9i s ARG 53 Cb 0.00 -3.33 -0.03 0.00 0.52 0.00 0.00 34.95 32.11 2e9i s ARG 53 CO 0.00 -0.15 -0.02 0.08 0.02 0.00 0.00 175.30 175.23 2e9i s VAL 54 N 0.63 4.01 0.29 3.52 1.01 -1.26 0.95 120.40 129.55 2e9i s VAL 54 Ca 0.55 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 62.02 2e9i s VAL 54 Cb -0.29 -2.74 -0.06 0.00 0.00 0.00 0.00 36.38 33.28 2e9i s VAL 54 CO 0.31 0.44 -0.02 -0.89 0.00 0.00 0.00 175.10 174.95 2e9i s THR 55 N -1.00 1.46 0.08 3.92 2.01 -0.37 -4.97 115.64 116.77 2e9i s THR 55 Ca 0.17 -2.07 0.07 0.00 0.31 0.00 0.00 61.69 60.17 2e9i s THR 55 Cb -0.11 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 2e9i s THR 55 CO 0.07 -0.22 -0.15 -0.70 -0.69 0.00 0.00 174.62 172.93 2e9i s GLU 56 N -3.79 2.01 0.25 4.92 2.12 -1.26 -1.20 118.70 121.75 2e9i s GLU 56 Ca 0.31 -1.05 0.06 0.00 0.36 0.00 0.00 54.97 54.66 2e9i s GLU 56 Cb 0.05 -2.21 -0.05 0.00 0.26 0.00 0.00 34.13 32.18 2e9i s GLU 56 CO 0.12 0.51 -0.07 0.00 -0.54 0.00 0.00 175.26 175.28 2e9i s ALA 57 N -1.08 2.15 -0.03 6.30 0.00 -1.15 -4.82 121.76 123.14 2e9i s ALA 57 Ca 0.18 -1.80 0.01 0.00 0.00 0.00 0.00 51.96 50.34 2e9i s ALA 57 Cb -0.11 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 2e9i s ALA 57 CO 0.09 -0.06 -0.01 -2.00 0.00 0.00 0.00 175.76 173.78 2e9i s GLU 58 N -3.73 2.80 -0.61 0.00 2.56 -1.26 -4.71 118.70 113.75 2e9i s GLU 58 Ca 0.27 -0.57 -0.07 0.00 0.00 0.00 0.00 54.97 54.60 2e9i s GLU 58 Cb 0.03 -2.67 0.16 0.00 2.00 0.00 0.00 34.13 33.65 2e9i s GLU 58 CO 0.10 0.64 0.47 0.42 -0.56 0.00 0.00 175.26 176.33 2e9i s ILE 59 N -1.01 4.19 0.15 -3.70 1.01 -1.26 -3.19 121.20 117.39 2e9i s ILE 59 Ca 0.17 -2.50 -0.31 0.00 0.00 0.00 0.00 60.65 58.01 2e9i s ILE 59 Cb -0.11 -3.71 -0.10 0.00 0.01 0.00 0.00 42.46 38.55 2e9i s ILE 59 CO 0.07 -0.87 1.56 -0.69 0.00 0.00 0.00 174.94 175.01 2e9i s VAL 60 N 0.43 2.75 -0.67 2.92 1.01 0.33 -4.82 120.40 122.35 2e9i s VAL 60 Ca 0.14 0.51 -0.26 0.00 0.00 0.00 0.00 61.98 62.36 2e9i s VAL 60 Cb -0.20 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 2e9i s VAL 60 CO -0.04 0.03 1.88 -2.16 0.00 0.00 0.00 175.10 174.82 2e9i s PRO 61 N 1.34 2.61 0.00 2.72 0.04 -1.26 -2.18 135.00 138.26 2e9i s PRO 61 Ca 0.70 0.43 0.00 0.00 0.04 0.00 0.00 61.00 62.17 2e9i s PRO 61 Cb -0.42 -4.53 0.00 0.00 0.04 0.00 0.00 34.50 29.59 2e9i s PRO 61 CO 0.31 -2.87 0.40 -1.33 0.04 0.00 0.00 177.00 173.55 2e9i n MET 62 N 9.12 0.00 0.00 4.56 2.81 -1.23 -5.00 117.12 127.38 2e9i n MET 62 Ca 0.24 0.43 0.00 0.00 -1.81 0.00 0.00 57.70 56.56 2e9i n MET 62 Cb 0.51 -1.14 0.00 0.00 -0.71 0.00 0.00 33.22 31.88 2e9i n MET 62 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2e9i n GLY 63 N 0.77 1.31 3.68 3.03 0.00 -1.21 -5.03 105.19 107.75 2e9i n GLY 63 Ca 0.00 0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2e9i n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2e9i s LYS 64 N 3.91 4.36 -0.43 1.61 -2.85 -1.26 -3.54 119.74 121.54 2e9i s LYS 64 Ca 0.00 1.57 -0.01 0.00 -1.00 0.00 0.00 55.97 56.53 2e9i s LYS 64 Cb 0.00 -3.57 0.01 0.00 -2.06 0.00 0.00 37.83 32.21 2e9i s LYS 64 CO 0.00 -0.43 0.03 0.27 0.10 0.00 0.00 175.35 175.32 2e9i n ASN 65 N 5.29 -2.06 -4.16 0.03 0.23 -1.26 -4.89 115.26 108.43 2e9i n ASN 65 Ca 0.10 0.33 -0.25 0.00 -0.53 0.00 0.00 54.58 54.24 2e9i n ASN 65 Cb 0.47 -1.84 -0.15 0.00 -2.08 0.00 0.00 39.78 36.17 2e9i n ASN 65 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2e9i s SER 66 N -2.06 2.06 -0.14 0.53 0.01 -1.23 -3.57 113.70 109.31 2e9i s SER 66 Ca 0.03 -0.32 -0.11 0.00 1.31 0.00 0.00 55.95 56.86 2e9i s SER 66 Cb -0.02 -0.28 0.04 0.00 0.21 0.00 0.00 66.02 65.97 2e9i s SER 66 CO 0.04 0.21 0.35 -1.00 0.41 0.00 0.00 173.24 173.24 2e9i s HIS 67 N -0.34 -0.42 -0.01 2.43 3.76 -1.26 -3.36 115.29 116.08 2e9i s HIS 67 Ca 0.05 0.99 0.06 0.00 -0.15 0.00 0.00 55.06 56.01 2e9i s HIS 67 Cb -0.07 0.15 -0.02 0.00 1.11 0.00 0.00 32.58 33.75 2e9i s HIS 67 CO -0.00 -0.22 -0.20 0.00 -0.85 0.00 0.00 174.74 173.47 2e9i s VAL 69 N -0.48 1.82 -0.22 0.00 1.01 -0.60 0.12 120.40 122.06 2e9i s VAL 69 Ca 0.08 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 2e9i s VAL 69 Cb -0.08 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2e9i s VAL 69 CO -0.01 0.34 0.07 0.00 0.00 0.00 0.00 175.10 175.50 2e9i s ARG 70 N 1.35 3.81 0.23 2.72 1.70 -1.19 -0.44 118.95 127.12 2e9i s ARG 70 Ca 0.01 -0.41 -0.22 0.00 -0.47 0.00 0.00 55.73 54.64 2e9i s ARG 70 Cb -0.15 -3.29 0.04 0.00 -0.57 0.00 0.00 34.95 30.98 2e9i s ARG 70 CO -0.10 0.01 0.67 -0.59 -1.08 0.00 0.00 175.30 174.21 2e9i s PHE 71 N 1.08 -0.32 -0.67 5.89 -0.71 -1.13 -4.26 117.98 117.86 2e9i s PHE 71 Ca 0.04 -0.04 -0.11 0.00 -1.04 0.00 0.00 56.93 55.79 2e9i s PHE 71 Cb -0.14 0.64 0.17 0.00 -1.21 0.00 0.00 43.02 42.48 2e9i s PHE 71 CO 0.03 -1.08 0.57 0.08 -1.34 0.00 0.00 175.22 173.49 2e9i s VAL 72 N -3.85 4.84 -1.14 -2.49 1.01 -1.26 -2.16 120.40 115.34 2e9i s VAL 72 Ca 0.07 -2.31 -0.23 0.00 0.00 0.00 0.00 61.98 59.51 2e9i s VAL 72 Cb -0.04 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 2e9i s VAL 72 CO -0.01 -0.92 1.94 -2.16 0.00 0.00 0.00 175.10 173.94 2e9i s PRO 73 N 0.55 2.50 -0.27 2.72 0.04 -1.26 -4.90 135.00 134.37 2e9i s PRO 73 Ca 0.13 -1.03 -0.02 0.00 0.04 0.00 0.00 61.00 60.12 2e9i s PRO 73 Cb -0.18 -5.22 0.03 0.00 0.04 0.00 0.00 34.50 29.17 2e9i s PRO 73 CO -0.04 -3.89 -0.03 -0.65 0.04 0.00 0.00 177.00 172.43 2e9i s GLN 74 N 6.56 2.70 0.34 4.56 -0.21 -1.26 -4.59 119.66 127.76 2e9i s GLN 74 Ca 0.69 -1.08 0.06 0.00 0.02 0.00 0.00 55.36 55.05 2e9i s GLN 74 Cb -0.02 -3.09 -0.02 0.00 1.00 0.00 0.00 33.01 30.88 2e9i s GLN 74 CO 0.11 -0.49 0.34 -1.21 -2.12 0.00 0.00 175.29 171.92 2e9i s GLU 75 N 1.31 1.84 0.00 2.91 0.41 -1.26 -5.05 118.70 118.87 2e9i s GLU 75 Ca -0.02 -1.99 0.19 0.00 -0.41 0.00 0.00 54.97 52.74 2e9i s GLU 75 Cb -0.18 0.36 0.49 0.00 -1.78 0.00 0.00 34.13 33.02 2e9i s GLU 75 CO -0.03 -0.71 1.41 -1.33 -0.49 0.00 0.00 175.26 174.12 2e9i n MET 76 N -0.64 2.62 0.00 1.61 2.81 -1.26 -4.97 117.12 117.29 2e9i n MET 76 Ca 0.06 -2.37 0.00 0.00 -1.81 0.00 0.00 57.70 53.58 2e9i n MET 76 Cb 0.62 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 2e9i n MET 76 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2e9i n GLY 77 N 1.31 2.13 3.91 3.03 0.00 -1.26 -5.05 105.19 109.25 2e9i n GLY 77 Ca 0.20 0.18 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 2e9i n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e9i s VAL 78 N 2.09 5.38 -0.10 1.61 0.11 -1.26 -4.72 120.40 123.51 2e9i s VAL 78 Ca 0.00 -0.19 -0.03 0.00 -2.93 0.00 0.00 61.98 58.84 2e9i s VAL 78 Cb 0.00 -3.58 -0.03 0.00 -1.53 0.00 0.00 36.38 31.23 2e9i s VAL 78 CO 0.00 0.24 0.02 -1.00 -3.33 0.00 0.00 175.10 171.02 2e9i s HIS 79 N -1.42 3.20 -0.03 1.54 0.09 -1.12 -3.62 115.29 113.93 2e9i s HIS 79 Ca 0.31 0.20 0.01 0.00 -0.00 0.00 0.00 55.06 55.58 2e9i s HIS 79 Cb -0.13 -1.82 0.02 0.00 -0.00 0.00 0.00 32.58 30.65 2e9i s HIS 79 CO 0.22 0.46 -0.03 0.99 -0.00 0.00 0.00 174.74 176.38 2e9i s THR 80 N -0.78 0.35 -0.32 1.30 2.01 -1.18 -2.15 115.64 114.87 2e9i s THR 80 Ca 0.12 -0.04 -0.11 0.00 0.31 0.00 0.00 61.69 61.97 2e9i s THR 80 Cb -0.12 -0.39 -0.01 0.00 0.01 0.00 0.00 72.50 72.00 2e9i s THR 80 CO 0.02 0.17 0.18 -0.69 -0.69 0.00 0.00 174.62 173.62 2e9i s VAL 81 N 0.78 4.82 -0.55 3.82 1.01 0.50 0.05 120.40 130.82 2e9i s VAL 81 Ca -0.09 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 2e9i s VAL 81 Cb -0.12 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 32.85 2e9i s VAL 81 CO -0.01 0.02 0.73 -0.44 0.00 0.00 0.00 175.10 175.41 2e9i s SER 82 N 1.64 6.22 -0.19 3.32 0.01 0.54 -1.50 113.70 123.76 2e9i s SER 82 Ca 0.05 -0.96 -0.00 0.00 1.31 0.00 0.00 55.95 56.35 2e9i s SER 82 Cb -0.17 -2.33 0.01 0.00 0.21 0.00 0.00 66.02 63.74 2e9i s SER 82 CO 0.08 -1.06 -0.16 -0.69 0.41 0.00 0.00 173.24 171.81 2e9i s VAL 83 N 3.02 2.43 0.02 3.43 1.01 -1.26 -2.31 120.40 126.73 2e9i s VAL 83 Ca 0.17 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2e9i s VAL 83 Cb -0.19 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 2e9i s VAL 83 CO 0.11 0.51 -0.04 -0.54 0.00 0.00 0.00 175.10 175.15 2e9i s LYS 84 N 1.27 0.30 -0.27 2.72 1.02 -1.10 -3.13 119.74 120.55 2e9i s LYS 84 Ca 0.04 -0.45 0.03 0.00 0.02 0.00 0.00 55.97 55.60 2e9i s LYS 84 Cb -0.14 -0.06 0.07 0.00 -0.52 0.00 0.00 37.83 37.17 2e9i s LYS 84 CO -0.09 0.00 -0.08 -0.47 -0.92 0.00 0.00 175.35 173.79 2e9i s TYR 85 N -0.95 3.27 -1.49 3.18 5.04 0.87 -2.48 117.35 124.78 2e9i s TYR 85 Ca -0.09 -2.38 -0.03 0.00 -2.44 0.00 0.00 57.07 52.14 2e9i s TYR 85 Cb -0.07 -2.03 0.00 0.00 0.35 0.00 0.00 41.96 40.21 2e9i s TYR 85 CO -0.00 -0.88 0.36 0.54 -1.34 0.00 0.00 175.55 174.22 2e9i n ARG 86 N 4.43 -3.43 -2.19 4.97 1.74 -1.25 -2.66 116.66 118.26 2e9i n ARG 86 Ca -0.11 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 57.83 2e9i n ARG 86 Cb 0.42 -5.50 0.00 0.00 -1.02 0.00 0.00 32.46 26.36 2e9i n ARG 86 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2e9i n GLY 87 N -1.30 0.93 2.99 -0.13 0.00 -1.26 -5.07 105.19 101.33 2e9i n GLY 87 Ca -0.15 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 2e9i n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2e9i s GLN 88 N -4.39 0.15 -0.15 1.61 -1.52 -1.09 -5.13 119.66 109.13 2e9i s GLN 88 Ca 0.00 0.50 -0.29 0.00 -1.95 0.00 0.00 55.36 53.62 2e9i s GLN 88 Cb 0.00 -0.15 -0.01 0.00 -0.22 0.00 0.00 33.01 32.63 2e9i s GLN 88 CO 0.00 -0.19 1.20 -1.01 -0.25 0.00 0.00 175.29 175.04 2e9i s HIS 89 N 1.45 3.03 0.99 0.91 3.76 -1.26 -0.09 115.29 124.07 2e9i s HIS 89 Ca -0.07 1.15 -0.16 0.00 -0.15 0.00 0.00 55.06 55.83 2e9i s HIS 89 Cb -0.11 -3.43 0.25 0.00 1.11 0.00 0.00 32.58 30.40 2e9i s HIS 89 CO -0.07 -1.34 0.67 1.33 -0.85 0.00 0.00 174.74 174.47 2e9i n VAL 90 N 5.19 0.00 -1.87 -0.90 0.24 -1.18 -4.82 118.33 114.98 2e9i n VAL 90 Ca 0.13 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.34 61.89 2e9i n VAL 90 Cb 0.45 -0.86 -0.03 0.00 -1.47 0.00 0.00 33.84 31.94 2e9i n VAL 90 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2e9i s THR 91 N -1.99 2.43 -1.24 3.34 2.01 -1.26 -2.42 115.64 116.51 2e9i s THR 91 Ca 0.48 0.31 -0.07 0.00 0.31 0.00 0.00 61.69 62.73 2e9i s THR 91 Cb -0.07 -3.20 0.01 0.00 0.01 0.00 0.00 72.50 69.25 2e9i s THR 91 CO 0.39 0.03 0.87 0.61 -0.69 0.00 0.00 174.62 175.83 2e9i n GLY 92 N 3.75 -0.36 3.30 4.40 0.00 -1.26 -5.00 105.19 110.02 2e9i n GLY 92 Ca 0.14 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 2e9i n GLY 92 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e9i s SER 93 N -3.11 2.88 0.81 1.61 0.15 -1.01 -3.45 113.70 111.58 2e9i s SER 93 Ca 0.43 -0.51 -0.11 0.00 0.70 0.00 0.00 55.95 56.46 2e9i s SER 93 Cb -0.19 -0.28 0.08 0.00 -1.71 0.00 0.00 66.02 63.92 2e9i s SER 93 CO 0.54 0.25 1.09 -2.16 1.20 0.00 0.00 173.24 174.16 2e9i s PRO 94 N -0.96 1.95 -0.08 5.44 0.04 -1.26 -4.79 135.00 135.32 2e9i s PRO 94 Ca 0.10 1.06 -0.14 0.00 0.04 0.00 0.00 61.00 62.07 2e9i s PRO 94 Cb -0.09 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 2e9i s PRO 94 CO 0.01 -1.83 0.34 -0.06 0.04 0.00 0.00 177.00 175.50 2e9i s PHE 95 N -2.91 3.60 -0.06 0.56 0.08 -0.56 -4.92 117.98 113.75 2e9i s PHE 95 Ca 0.62 0.78 0.04 0.00 0.12 0.00 0.00 56.93 58.49 2e9i s PHE 95 Cb -0.17 -2.28 -0.00 0.00 -0.57 0.00 0.00 43.02 39.99 2e9i s PHE 95 CO 0.56 0.47 -0.20 -0.65 -0.10 0.00 0.00 175.22 175.31 2e9i s GLN 96 N -0.36 2.25 0.10 0.44 -0.21 -1.26 -0.37 119.66 120.25 2e9i s GLN 96 Ca 0.20 -0.70 -0.13 0.00 0.02 0.00 0.00 55.36 54.75 2e9i s GLN 96 Cb -0.15 -1.84 0.02 0.00 1.00 0.00 0.00 33.01 32.05 2e9i s GLN 96 CO 0.08 0.21 0.32 -0.59 -2.12 0.00 0.00 175.29 173.19 2e9i s PHE 97 N 0.19 -0.07 -0.10 0.91 -0.12 -0.91 -4.83 117.98 113.05 2e9i s PHE 97 Ca -0.10 -0.26 -0.03 0.00 -0.05 0.00 0.00 56.93 56.49 2e9i s PHE 97 Cb -0.14 0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.34 2e9i s PHE 97 CO 0.05 -0.62 0.01 0.99 -0.05 0.00 0.00 175.22 175.60 2e9i s THR 98 N -3.66 4.39 0.18 -4.49 2.01 -1.26 -2.79 115.64 110.01 2e9i s THR 98 Ca 0.03 -0.21 0.06 0.00 0.31 0.00 0.00 61.69 61.87 2e9i s THR 98 Cb 0.03 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 2e9i s THR 98 CO -0.10 0.59 0.12 -0.69 -0.69 0.00 0.00 174.62 173.84 2e9i s VAL 99 N -0.69 4.33 -0.06 3.82 1.01 -1.26 -4.56 120.40 122.99 2e9i s VAL 99 Ca 0.11 -1.19 -0.18 0.00 0.00 0.00 0.00 61.98 60.73 2e9i s VAL 99 Cb -0.12 -3.22 0.04 0.00 0.00 0.00 0.00 36.38 33.08 2e9i s VAL 99 CO 0.02 -0.14 0.40 -0.83 0.00 0.00 0.00 175.10 174.56 2e9i s GLY 100 N -3.15 -0.27 0.72 4.51 0.00 -1.13 -4.95 107.32 103.04 2e9i s GLY 100 Ca 0.30 0.71 -0.13 0.00 0.00 0.00 0.00 44.72 45.61 2e9i s GLY 100 CO 0.23 0.49 1.10 2.56 0.00 0.00 0.00 173.10 177.48 2e9i s PRO 101 N -0.92 2.53 0.24 2.90 0.04 -1.26 -3.24 135.00 135.29 2e9i s PRO 101 Ca -0.10 1.28 0.07 0.00 0.04 0.00 0.00 61.00 62.29 2e9i s PRO 101 Cb -0.04 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2e9i s PRO 101 CO 0.04 -1.45 0.19 -0.51 0.04 0.00 0.00 177.00 175.32 2e9i s LEU 102 N -5.39 3.82 -1.23 -3.56 1.43 -1.26 -4.97 118.68 107.52 2e9i s LEU 102 Ca 0.64 -0.23 -0.20 0.00 -1.03 0.00 0.00 54.13 53.32 2e9i s LEU 102 Cb -0.19 -2.36 0.04 0.00 0.03 0.00 0.00 46.19 43.71 2e9i s LEU 102 CO 0.49 -0.02 1.72 -0.83 0.23 0.00 0.00 176.35 177.94 2e9i s GLY 103 N -3.74 1.36 0.10 -3.19 0.00 -1.26 -4.96 107.32 95.63 2e9i s GLY 103 Ca 0.33 -2.68 -0.14 0.00 0.00 0.00 0.00 44.72 42.23 2e9i s GLY 103 CO 0.25 2.85 0.49 1.85 0.00 0.00 0.00 173.10 178.54 2e9i s GLU 104 N 4.71 3.93 0.00 2.90 2.12 -1.26 -5.07 118.70 126.03 2e9i s GLU 104 Ca 0.55 0.42 0.00 0.00 0.36 0.00 0.00 54.97 56.30 2e9i s GLU 104 Cb 0.02 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.40 2e9i s GLU 104 CO 0.06 0.54 0.00 0.41 -0.54 0.00 0.00 175.26 175.73 2e9i n GLY 105 N 1.04 1.45 0.00 -1.50 0.00 -1.26 -5.31 105.19 99.62 2e9i n GLY 105 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2e9i n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93