#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 -0.27 0.01 1.61 0.01 -1.26 -5.16 113.70 108.64 2e9i s SER 2 Ca 0.00 0.52 -0.04 0.00 1.31 0.00 0.00 55.95 57.74 2e9i s SER 2 Cb 0.00 0.49 -0.01 0.00 0.21 0.00 0.00 66.02 66.72 2e9i s SER 2 CO 0.00 -0.11 0.07 -0.44 0.41 0.00 0.00 173.24 173.17 2e9i s SER 3 N 0.46 0.10 -0.11 2.44 0.01 -1.26 -5.17 113.70 110.18 2e9i s SER 3 Ca -0.03 -0.30 -0.18 0.00 1.31 0.00 0.00 55.95 56.76 2e9i s SER 3 Cb -0.04 0.16 0.04 0.00 0.21 0.00 0.00 66.02 66.39 2e9i s SER 3 CO -0.02 -0.33 0.44 -0.83 0.41 0.00 0.00 173.24 172.91 2e9i s GLY 4 N -1.35 -0.31 0.01 3.44 0.00 -1.26 -5.17 107.32 102.68 2e9i s GLY 4 Ca -0.15 0.99 -0.29 0.00 0.00 0.00 0.00 44.72 45.27 2e9i s GLY 4 CO 0.01 0.77 1.25 -0.45 0.00 0.00 0.00 173.10 174.68 2e9i s SER 5 N -0.44 -0.05 0.07 1.64 0.15 -1.26 -5.14 113.70 108.67 2e9i s SER 5 Ca -0.06 -0.20 -0.31 0.00 0.70 0.00 0.00 55.95 56.09 2e9i s SER 5 Cb -0.03 0.20 -0.06 0.00 -1.71 0.00 0.00 66.02 64.41 2e9i s SER 5 CO 0.03 -0.38 1.30 -0.94 1.20 0.00 0.00 173.24 174.45 2e9i s SER 6 N -3.17 6.95 0.00 5.45 1.04 -1.26 -4.92 113.70 117.80 2e9i s SER 6 Ca 0.17 2.14 0.00 0.00 0.48 0.00 0.00 55.95 58.74 2e9i s SER 6 Cb 0.03 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2e9i s SER 6 CO -0.02 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.23 2e9i n GLY 7 N 3.39 -1.49 3.73 7.32 0.00 -1.26 -5.15 105.19 111.74 2e9i n GLY 7 Ca 0.11 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 2e9i n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e9i s ARG 8 N -1.59 1.93 -0.19 1.61 0.52 -1.26 -5.06 118.95 114.92 2e9i s ARG 8 Ca 0.00 1.50 -0.21 0.00 -0.52 0.00 0.00 55.73 56.50 2e9i s ARG 8 Cb 0.00 -1.83 0.06 0.00 0.52 0.00 0.00 34.95 33.69 2e9i s ARG 8 CO 0.00 -1.94 0.58 0.54 0.02 0.00 0.00 175.30 174.50 2e9i s VAL 9 N -2.45 0.00 0.48 3.52 0.11 -1.26 -5.12 120.40 115.68 2e9i s VAL 9 Ca 0.68 -0.03 0.05 0.00 -2.93 0.00 0.00 61.98 59.76 2e9i s VAL 9 Cb -0.23 -0.82 -0.01 0.00 -1.53 0.00 0.00 36.38 33.79 2e9i s VAL 9 CO 0.51 -0.01 0.24 -0.54 -3.33 0.00 0.00 175.10 171.97 2e9i s LYS 10 N 0.07 2.25 0.33 1.54 3.01 -1.26 -5.16 119.74 120.52 2e9i s LYS 10 Ca -0.02 -2.00 0.07 0.00 -1.01 0.00 0.00 55.97 53.01 2e9i s LYS 10 Cb -0.04 -1.96 -0.07 0.00 -1.01 0.00 0.00 37.83 34.76 2e9i s LYS 10 CO 0.02 -0.35 -0.03 -1.21 0.51 0.00 0.00 175.35 174.29 2e9i s GLU 11 N -4.05 1.72 0.72 1.68 0.41 -1.26 -5.13 118.70 112.79 2e9i s GLU 11 Ca 0.32 -1.92 -0.15 0.00 -0.41 0.00 0.00 54.97 52.81 2e9i s GLU 11 Cb 0.01 -1.33 0.03 0.00 -1.78 0.00 0.00 34.13 31.06 2e9i s GLU 11 CO 0.19 -0.00 1.21 -1.12 -0.49 0.00 0.00 175.26 175.04 2e9i s SER 12 N -3.55 4.27 -0.04 -0.19 0.01 -1.26 -5.03 113.70 107.91 2e9i s SER 12 Ca 0.33 2.35 0.05 0.00 1.31 0.00 0.00 55.95 59.99 2e9i s SER 12 Cb 0.06 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 2e9i s SER 12 CO 0.15 -2.21 -0.18 -0.63 0.41 0.00 0.00 173.24 170.78 2e9i s ILE 13 N -1.97 2.75 0.36 1.44 1.09 -1.26 -5.09 121.20 118.51 2e9i s ILE 13 Ca 0.74 -0.84 -0.25 0.00 -1.10 0.00 0.00 60.65 59.21 2e9i s ILE 13 Cb -0.29 -2.05 -0.13 0.00 -1.06 0.00 0.00 42.46 38.93 2e9i s ILE 13 CO 0.45 0.59 0.70 0.35 -0.10 0.00 0.00 174.94 176.92 2e9i n THR 14 N 2.40 1.91 0.00 2.92 -2.24 -1.26 -4.92 114.28 113.09 2e9i n THR 14 Ca -0.17 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 2e9i n THR 14 Cb 0.52 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 2e9i n THR 14 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2e9i n ARG 15 N 0.65 0.00 -3.25 -0.78 0.63 -1.26 -4.29 116.66 108.35 2e9i n ARG 15 Ca 0.12 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.62 2e9i n ARG 15 Cb 0.36 -0.53 -0.08 0.00 0.45 0.00 0.00 32.46 32.66 2e9i n ARG 15 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2e9i s THR 16 N -1.90 5.00 0.16 5.15 -4.23 -1.26 -3.49 115.64 115.07 2e9i s THR 16 Ca 0.00 -0.24 -0.22 0.00 -1.18 0.00 0.00 61.69 60.05 2e9i s THR 16 Cb 0.00 -4.10 0.06 0.00 1.34 0.00 0.00 72.50 69.80 2e9i s THR 16 CO 0.00 -0.49 0.57 -0.44 -0.54 0.00 0.00 174.62 173.72 2e9i s SER 17 N 1.91 -0.52 -0.36 3.99 0.01 -1.26 -5.04 113.70 112.43 2e9i s SER 17 Ca 0.15 -0.05 -0.03 0.00 1.31 0.00 0.00 55.95 57.33 2e9i s SER 17 Cb -0.16 0.58 0.08 0.00 0.21 0.00 0.00 66.02 66.73 2e9i s SER 17 CO 0.15 -0.96 0.11 -0.13 0.41 0.00 0.00 173.24 172.83 2e9i s ARG 18 N -3.76 2.26 0.31 12.44 3.00 -1.26 -4.76 118.95 127.18 2e9i s ARG 18 Ca 0.01 -1.51 -0.27 0.00 0.00 0.00 0.00 55.73 53.96 2e9i s ARG 18 Cb -0.01 -3.41 -0.09 0.00 0.00 0.00 0.00 34.95 31.44 2e9i s ARG 18 CO -0.13 -0.84 0.99 0.00 0.00 0.00 0.00 175.30 175.32 2e9i s ALA 19 N 1.22 3.26 -0.31 2.13 0.00 -1.26 -4.98 121.76 121.82 2e9i s ALA 19 Ca 0.02 0.64 -0.29 0.00 0.00 0.00 0.00 51.96 52.33 2e9i s ALA 19 Cb -0.21 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 2e9i s ALA 19 CO -0.02 0.06 1.67 -1.25 0.00 0.00 0.00 175.76 176.23 2e9i s PRO 20 N -1.79 3.52 -0.26 0.00 0.04 -1.26 -4.94 135.00 130.30 2e9i s PRO 20 Ca 0.48 1.41 -0.27 0.00 0.04 0.00 0.00 61.00 62.66 2e9i s PRO 20 Cb -0.23 -4.12 0.16 0.00 0.04 0.00 0.00 34.50 30.35 2e9i s PRO 20 CO 0.29 -1.63 1.21 -1.54 0.04 0.00 0.00 177.00 175.37 2e9i s SER 21 N 5.12 -0.25 0.69 6.66 1.04 -1.26 -5.13 113.70 120.57 2e9i s SER 21 Ca 0.74 0.41 -0.02 0.00 0.48 0.00 0.00 55.95 57.56 2e9i s SER 21 Cb -0.22 0.39 0.10 0.00 0.10 0.00 0.00 66.02 66.40 2e9i s SER 21 CO 0.32 -0.13 0.97 0.68 0.98 0.00 0.00 173.24 176.06 2e9i s VAL 22 N -0.28 2.27 -0.28 5.02 -7.23 -1.26 -5.02 120.40 113.62 2e9i s VAL 22 Ca 0.04 -0.52 -0.24 0.00 -1.81 0.00 0.00 61.98 59.45 2e9i s VAL 22 Cb -0.04 -2.75 0.13 0.00 0.56 0.00 0.00 36.38 34.29 2e9i s VAL 22 CO -0.08 0.00 1.07 0.00 -0.31 0.00 0.00 175.10 175.78 2e9i s ALA 23 N -3.12 -2.02 0.39 1.32 0.00 -1.26 -5.03 121.76 112.04 2e9i s ALA 23 Ca 0.64 1.89 0.03 0.00 0.00 0.00 0.00 51.96 54.52 2e9i s ALA 23 Cb -0.07 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 2e9i s ALA 23 CO 0.44 -0.23 0.09 -0.08 0.00 0.00 0.00 175.76 175.97 2e9i s THR 24 N 0.31 0.90 0.13 0.00 -1.32 -1.26 -3.65 115.64 110.75 2e9i s THR 24 Ca 0.03 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 58.59 2e9i s THR 24 Cb -0.05 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.40 2e9i s THR 24 CO -0.08 0.00 -0.14 0.54 -2.21 0.00 0.00 174.62 172.73 2e9i s VAL 25 N -3.19 3.04 -0.93 5.08 0.11 -1.15 -4.44 120.40 118.92 2e9i s VAL 25 Ca 0.26 -1.49 -0.02 0.00 -2.93 0.00 0.00 61.98 57.79 2e9i s VAL 25 Cb 0.05 -2.43 0.00 0.00 -1.53 0.00 0.00 36.38 32.47 2e9i s VAL 25 CO 0.14 0.05 0.79 0.61 -3.33 0.00 0.00 175.10 173.36 2e9i n GLY 26 N 0.59 -0.16 3.58 6.54 0.00 -1.26 -4.77 105.19 109.70 2e9i n GLY 26 Ca -0.14 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.74 -0.23 -0.98 1.61 0.15 -1.26 -5.09 113.70 104.16 2e9i s SER 27 Ca 0.15 0.12 -0.24 0.00 0.70 0.00 0.00 55.95 56.69 2e9i s SER 27 Cb -0.07 0.22 0.04 0.00 -1.71 0.00 0.00 66.02 64.50 2e9i s SER 27 CO 0.54 -0.31 1.47 -0.63 1.20 0.00 0.00 173.24 175.52 2e9i s ILE 28 N -1.96 3.86 0.02 6.45 1.01 -1.26 -4.05 121.20 125.27 2e9i s ILE 28 Ca 0.05 -0.60 -0.27 0.00 0.00 0.00 0.00 60.65 59.83 2e9i s ILE 28 Cb -0.01 -4.95 -0.04 0.00 0.01 0.00 0.00 42.46 37.46 2e9i s ILE 28 CO -0.04 -1.85 0.86 0.00 0.00 0.00 0.00 174.94 173.91 2e9i s ASP 30 N 0.45 6.33 -0.60 0.00 1.47 -1.26 -3.04 116.67 120.01 2e9i s ASP 30 Ca 0.44 0.38 -0.14 0.00 1.18 0.00 0.00 52.55 54.41 2e9i s ASP 30 Cb -0.21 -2.21 0.15 0.00 -0.34 0.00 0.00 42.92 40.31 2e9i s ASP 30 CO 0.25 -0.13 0.54 -0.22 0.68 0.00 0.00 175.17 176.29 2e9i s LEU 31 N 1.70 6.23 -0.12 2.11 2.96 -0.31 -4.95 118.68 126.31 2e9i s LEU 31 Ca 0.16 -2.06 -0.30 0.00 -0.22 0.00 0.00 54.13 51.72 2e9i s LEU 31 Cb -0.15 -2.17 -0.02 0.00 0.50 0.00 0.00 46.19 44.35 2e9i s LEU 31 CO 0.09 -0.75 1.18 0.21 -1.32 0.00 0.00 176.35 175.75 2e9i s ASN 32 N 3.03 7.05 0.04 3.68 3.84 -1.26 -3.28 114.94 128.04 2e9i s ASN 32 Ca 0.07 1.68 0.07 0.00 0.21 0.00 0.00 52.86 54.89 2e9i s ASN 32 Cb -0.24 -2.55 -0.02 0.00 -0.55 0.00 0.00 41.25 37.88 2e9i s ASN 32 CO -0.01 -0.63 -0.19 -0.76 -2.79 0.00 0.00 177.10 172.72 2e9i s LEU 33 N 2.72 2.15 -1.20 3.21 1.43 -1.24 -5.06 118.68 120.69 2e9i s LEU 33 Ca 0.53 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 53.08 2e9i s LEU 33 Cb -0.22 -0.90 0.23 0.00 0.03 0.00 0.00 46.19 45.33 2e9i s LEU 33 CO 0.17 0.14 1.76 2.29 0.23 0.00 0.00 176.35 180.94 2e9i n LYS 34 N 1.95 4.10 -3.18 1.70 2.85 -1.26 -4.32 118.16 120.01 2e9i n LYS 34 Ca -0.17 -3.97 -0.39 0.00 -1.05 0.00 0.00 58.31 52.73 2e9i n LYS 34 Cb 0.54 -2.73 -0.06 0.00 -0.65 0.00 0.00 35.03 32.13 2e9i n LYS 34 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2e9i s ILE 35 N -1.15 4.69 0.00 0.58 1.01 -1.26 -5.08 121.20 119.99 2e9i s ILE 35 Ca 0.37 1.35 0.00 0.00 0.00 0.00 0.00 60.65 62.37 2e9i s ILE 35 Cb 0.09 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.59 2e9i s ILE 35 CO 0.03 0.51 0.00 -0.81 0.00 0.00 0.00 174.94 174.67 2e9i n PRO 36 N 1.96 0.13 -0.25 2.79 -0.04 -1.26 -4.07 135.00 134.26 2e9i n PRO 36 Ca -0.08 0.00 0.32 0.00 -0.04 0.00 0.00 63.50 63.70 2e9i n PRO 36 Cb 0.50 0.00 0.64 0.00 -0.04 0.00 0.00 33.50 34.61 2e9i n PRO 36 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2e9i h GLU 37 N 0.00 0.00 -4.66 0.54 4.11 -1.95 -3.41 114.58 109.20 2e9i h GLU 37 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.36 58.82 2e9i h GLU 37 Cb 0.00 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.29 2e9i h GLU 37 CO 0.00 0.00 0.05 -0.89 0.07 0.00 0.00 179.01 178.24 2e9i n ILE 38 N -3.66 0.00 -2.26 -1.06 5.41 -1.26 -4.80 119.36 111.72 2e9i n ILE 38 Ca 0.23 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.72 2e9i n ILE 38 Cb 1.34 -0.00 0.13 0.00 -0.71 0.00 0.00 39.64 40.39 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 0.01 3.97 0.17 4.38 0.01 -1.26 -4.90 114.94 117.33 2e9i s ASN 39 Ca 0.71 0.04 0.22 0.00 -0.71 0.00 0.00 52.86 53.12 2e9i s ASN 39 Cb -0.99 -0.35 -0.04 0.00 0.41 0.00 0.00 41.25 40.29 2e9i s ASN 39 CO 0.44 -2.14 0.98 -1.20 -1.51 0.00 0.00 177.10 173.68 2e9i n SER 40 N -3.21 0.80 0.10 -1.22 7.64 -1.26 -3.61 113.62 112.86 2e9i n SER 40 Ca 0.14 0.31 0.10 0.00 1.01 0.00 0.00 58.87 60.43 2e9i n SER 40 Cb 0.60 0.52 0.45 0.00 -1.01 0.00 0.00 64.21 64.77 2e9i n SER 40 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2e9i n SER 41 N -2.67 0.50 -0.08 6.43 3.41 -1.26 -2.58 113.62 117.36 2e9i n SER 41 Ca -0.01 0.63 -0.08 0.00 -0.26 0.00 0.00 58.87 59.15 2e9i n SER 41 Cb 0.58 -0.73 -0.13 0.00 -0.26 0.00 0.00 64.21 63.67 2e9i n SER 41 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2e9i n ASP 42 N -2.06 0.94 -4.90 4.04 5.68 -1.25 -5.00 116.55 114.00 2e9i n ASP 42 Ca 0.02 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 54.02 2e9i n ASP 42 Cb 0.20 0.91 0.05 0.00 -1.14 0.00 0.00 41.12 41.14 2e9i n ASP 42 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 2e9i s MET 43 N -2.41 2.67 -0.15 0.11 -1.94 -1.07 -2.63 119.30 113.89 2e9i s MET 43 Ca -0.08 0.27 -0.06 0.00 -1.71 0.00 0.00 55.69 54.11 2e9i s MET 43 Cb 0.05 -2.06 0.06 0.00 2.01 0.00 0.00 34.83 34.89 2e9i s MET 43 CO 0.68 -1.09 0.32 -1.54 -0.01 0.00 0.00 175.02 173.38 2e9i s SER 44 N -4.40 -0.13 -0.11 3.03 1.04 -0.97 -4.94 113.70 107.22 2e9i s SER 44 Ca 0.58 0.73 -0.00 0.00 0.48 0.00 0.00 55.95 57.73 2e9i s SER 44 Cb -0.11 0.77 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 2e9i s SER 44 CO 0.50 -0.21 -0.09 0.00 0.98 0.00 0.00 173.24 174.42 2e9i s ALA 45 N 1.92 2.85 -0.16 5.32 0.00 -1.26 -3.07 121.76 127.36 2e9i s ALA 45 Ca -0.05 -0.88 -0.07 0.00 0.00 0.00 0.00 51.96 50.96 2e9i s ALA 45 Cb -0.11 -1.29 0.06 0.00 0.00 0.00 0.00 23.12 21.78 2e9i s ALA 45 CO -0.10 0.37 0.36 -1.01 0.00 0.00 0.00 175.76 175.38 2e9i s HIS 46 N -0.12 -0.57 -0.58 0.00 3.76 -1.24 -2.05 115.29 114.49 2e9i s HIS 46 Ca 0.01 1.20 -0.20 0.00 -0.15 0.00 0.00 55.06 55.92 2e9i s HIS 46 Cb -0.13 0.19 0.09 0.00 1.11 0.00 0.00 32.58 33.83 2e9i s HIS 46 CO 0.03 -0.36 0.73 0.08 -0.85 0.00 0.00 174.74 174.38 2e9i s VAL 47 N 1.79 4.75 0.08 -0.90 1.01 -0.83 -1.67 120.40 124.63 2e9i s VAL 47 Ca -0.06 -0.77 -0.22 0.00 0.00 0.00 0.00 61.98 60.92 2e9i s VAL 47 Cb -0.10 -4.48 -0.06 0.00 0.00 0.00 0.00 36.38 31.73 2e9i s VAL 47 CO -0.11 -1.11 0.67 -0.89 0.00 0.00 0.00 175.10 173.66 2e9i s THR 48 N 2.91 4.67 0.46 3.92 2.01 -0.13 -2.32 115.64 127.16 2e9i s THR 48 Ca 0.14 1.44 -0.09 0.00 0.31 0.00 0.00 61.69 63.49 2e9i s THR 48 Cb -0.22 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 2e9i s THR 48 CO 0.08 0.48 0.82 -0.94 -0.69 0.00 0.00 174.62 174.37 2e9i s SER 49 N -0.71 6.42 0.00 3.53 1.04 -0.40 -2.90 113.70 120.69 2e9i s SER 49 Ca 0.33 1.13 0.10 0.00 0.48 0.00 0.00 55.95 57.99 2e9i s SER 49 Cb -0.20 -2.33 0.58 0.00 0.10 0.00 0.00 66.02 64.17 2e9i s SER 49 CO 0.21 -0.52 1.03 -0.81 0.98 0.00 0.00 173.24 174.13 2e9i n PRO 50 N -1.76 0.49 -0.05 4.02 -0.04 -1.24 -3.53 135.00 132.89 2e9i n PRO 50 Ca 0.02 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.44 2e9i n PRO 50 Cb 0.54 -1.31 -0.02 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.81 1.05 0.00 3.54 3.41 -1.26 -5.03 113.62 114.52 2e9i n SER 51 Ca 0.07 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2e9i n SER 51 Cb 0.03 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 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 1.57 0.00 3.48 5.00 0.00 -1.23 -5.17 105.19 108.84 2e9i n GLY 52 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 1.73 -0.07 1.61 0.52 -1.26 -4.99 118.95 116.49 2e9i s ARG 53 Ca 0.00 -1.52 -0.00 0.00 -0.52 0.00 0.00 55.73 53.69 2e9i s ARG 53 Cb 0.00 -1.92 0.02 0.00 0.52 0.00 0.00 34.95 33.58 2e9i s ARG 53 CO 0.00 0.39 -0.03 0.08 0.02 0.00 0.00 175.30 175.76 2e9i s VAL 54 N -1.92 0.55 0.42 3.52 1.01 -1.26 -1.27 120.40 121.45 2e9i s VAL 54 Ca 0.25 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.25 2e9i s VAL 54 Cb -0.07 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 2e9i s VAL 54 CO 0.13 0.27 0.18 0.42 0.00 0.00 0.00 175.10 176.09 2e9i s THR 55 N 1.50 2.20 0.05 3.92 -4.23 -0.98 -4.97 115.64 113.14 2e9i s THR 55 Ca -0.02 -1.71 0.07 0.00 -1.18 0.00 0.00 61.69 58.86 2e9i s THR 55 Cb -0.13 -2.92 -0.03 0.00 1.34 0.00 0.00 72.50 70.76 2e9i s THR 55 CO -0.03 0.00 -0.18 -0.70 -0.54 0.00 0.00 174.62 173.16 2e9i s GLU 56 N -3.91 2.02 0.32 3.99 2.12 -1.26 -1.96 118.70 120.00 2e9i s GLU 56 Ca 0.39 -1.02 0.10 0.00 0.36 0.00 0.00 54.97 54.80 2e9i s GLU 56 Cb 0.04 -2.17 -0.06 0.00 0.26 0.00 0.00 34.13 32.20 2e9i s GLU 56 CO 0.21 0.53 -0.09 0.00 -0.54 0.00 0.00 175.26 175.37 2e9i s ALA 57 N -0.96 2.98 -0.02 6.30 0.00 -0.87 -4.83 121.76 124.36 2e9i s ALA 57 Ca 0.15 -1.95 -0.01 0.00 0.00 0.00 0.00 51.96 50.15 2e9i s ALA 57 Cb -0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 2e9i s ALA 57 CO 0.06 0.16 0.09 -2.00 0.00 0.00 0.00 175.76 174.07 2e9i s GLU 58 N -3.61 3.13 -0.35 0.00 2.56 -1.26 -4.69 118.70 114.46 2e9i s GLU 58 Ca 0.32 -0.44 0.01 0.00 0.00 0.00 0.00 54.97 54.86 2e9i s GLU 58 Cb -0.01 -2.90 0.10 0.00 2.00 0.00 0.00 34.13 33.31 2e9i s GLU 58 CO 0.17 0.66 0.09 0.42 -0.56 0.00 0.00 175.26 176.04 2e9i s ILE 59 N -1.18 2.71 0.08 -3.70 1.01 -1.26 -3.08 121.20 115.78 2e9i s ILE 59 Ca 0.22 -2.08 -0.31 0.00 0.00 0.00 0.00 60.65 58.48 2e9i s ILE 59 Cb -0.12 -2.87 -0.06 0.00 0.01 0.00 0.00 42.46 39.42 2e9i s ILE 59 CO 0.13 -0.54 1.25 -0.69 0.00 0.00 0.00 174.94 175.10 2e9i s VAL 60 N 1.04 3.80 0.02 2.92 1.01 0.31 -4.86 120.40 124.64 2e9i s VAL 60 Ca 0.07 1.30 -0.30 0.00 0.00 0.00 0.00 61.98 63.04 2e9i s VAL 60 Cb -0.21 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 2e9i s VAL 60 CO -0.06 0.11 1.43 -2.16 0.00 0.00 0.00 175.10 174.42 2e9i s PRO 61 N 1.02 4.27 0.00 2.72 0.04 -1.26 -1.96 135.00 139.83 2e9i s PRO 61 Ca 0.60 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.67 2e9i s PRO 61 Cb -0.32 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.67 2e9i s PRO 61 CO 0.30 -0.59 0.00 -1.33 0.04 0.00 0.00 177.00 175.42 2e9i n MET 62 N 5.30 0.00 0.00 4.56 2.81 -1.18 -4.94 117.12 123.67 2e9i n MET 62 Ca 0.13 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 2e9i n MET 62 Cb 0.43 -0.48 0.00 0.00 -0.71 0.00 0.00 33.22 32.46 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 1.71 -0.28 3.63 3.03 0.00 -1.21 -5.01 105.19 107.06 2e9i n GLY 63 Ca 0.00 0.45 -0.43 0.00 0.00 0.00 0.00 46.02 46.04 2e9i n GLY 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2e9i s LYS 64 N 0.00 3.75 -1.40 1.61 2.20 -1.26 -3.24 119.74 121.40 2e9i s LYS 64 Ca 0.00 1.99 -0.10 0.00 -0.36 0.00 0.00 55.97 57.50 2e9i s LYS 64 Cb 0.00 -4.14 0.10 0.00 -1.51 0.00 0.00 37.83 32.28 2e9i s LYS 64 CO 0.00 -1.37 0.24 0.27 -0.36 0.00 0.00 175.35 174.13 2e9i n ASN 65 N 8.88 -0.33 -4.02 1.43 6.94 -1.26 -4.89 115.26 122.00 2e9i n ASN 65 Ca 0.21 -1.03 -0.20 0.00 -0.02 0.00 0.00 54.58 53.54 2e9i n ASN 65 Cb 0.44 -1.30 -0.15 0.00 -2.36 0.00 0.00 39.78 36.41 2e9i n ASN 65 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2e9i s SER 66 N -3.49 1.25 -0.07 0.53 0.01 -1.20 -4.21 113.70 106.52 2e9i s SER 66 Ca 0.34 -0.19 -0.08 0.00 1.31 0.00 0.00 55.95 57.32 2e9i s SER 66 Cb -0.20 -0.29 0.02 0.00 0.21 0.00 0.00 66.02 65.76 2e9i s SER 66 CO 0.83 0.08 0.22 -1.00 0.41 0.00 0.00 173.24 173.78 2e9i s HIS 67 N 0.09 -0.20 -0.00 2.43 3.76 -1.26 -3.10 115.29 117.00 2e9i s HIS 67 Ca -0.02 0.48 0.04 0.00 -0.15 0.00 0.00 55.06 55.41 2e9i s HIS 67 Cb -0.08 0.07 -0.01 0.00 1.11 0.00 0.00 32.58 33.67 2e9i s HIS 67 CO 0.00 -0.16 -0.12 0.00 -0.85 0.00 0.00 174.74 173.61 2e9i s VAL 69 N -0.35 2.76 -0.19 0.00 1.01 -1.20 0.12 120.40 122.54 2e9i s VAL 69 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2e9i s VAL 69 Cb -0.05 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.19 2e9i s VAL 69 CO -0.00 0.52 -0.17 0.00 0.00 0.00 0.00 175.10 175.45 2e9i s ARG 70 N 0.59 3.03 0.24 2.72 1.70 -1.18 -1.16 118.95 124.91 2e9i s ARG 70 Ca -0.09 -0.81 -0.22 0.00 -0.47 0.00 0.00 55.73 54.14 2e9i s ARG 70 Cb -0.16 -2.67 0.03 0.00 -0.57 0.00 0.00 34.95 31.59 2e9i s ARG 70 CO 0.03 -0.22 0.71 -0.59 -1.08 0.00 0.00 175.30 174.15 2e9i s PHE 71 N 1.32 -0.26 -0.73 5.89 -0.71 -1.17 -4.35 117.98 117.97 2e9i s PHE 71 Ca 0.05 -0.14 -0.09 0.00 -1.04 0.00 0.00 56.93 55.71 2e9i s PHE 71 Cb -0.13 0.67 0.19 0.00 -1.21 0.00 0.00 43.02 42.54 2e9i s PHE 71 CO -0.11 -1.13 0.62 0.08 -1.34 0.00 0.00 175.22 173.34 2e9i s VAL 72 N -3.83 4.77 -1.19 -2.49 1.01 -1.26 -1.63 120.40 115.79 2e9i s VAL 72 Ca 0.09 -2.66 -0.23 0.00 0.00 0.00 0.00 61.98 59.18 2e9i s VAL 72 Cb -0.05 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 2e9i s VAL 72 CO 0.02 -0.96 1.93 -0.81 0.00 0.00 0.00 175.10 175.29 2e9i n PRO 73 N 3.79 1.61 -4.05 2.72 -0.04 -1.26 -4.85 135.00 132.92 2e9i n PRO 73 Ca 0.11 -2.48 -0.33 0.00 -0.04 0.00 0.00 63.50 60.76 2e9i n PRO 73 Cb 0.43 -3.73 -0.15 0.00 -0.04 0.00 0.00 33.50 30.01 2e9i n PRO 73 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2e9i s GLN 74 N 6.44 2.49 0.24 0.54 -2.07 -1.26 -4.50 119.66 121.55 2e9i s GLN 74 Ca 0.68 -1.18 -0.00 0.00 -1.82 0.00 0.00 55.36 53.04 2e9i s GLN 74 Cb -0.01 -2.87 -0.03 0.00 -1.09 0.00 0.00 33.01 29.01 2e9i s GLN 74 CO 0.14 -0.48 0.21 -2.00 -1.32 0.00 0.00 175.29 171.83 2e9i s GLU 75 N 1.19 1.39 -0.06 9.60 2.56 -1.26 -5.03 118.70 127.08 2e9i s GLU 75 Ca -0.05 -1.70 0.12 0.00 0.00 0.00 0.00 54.97 53.35 2e9i s GLU 75 Cb -0.18 0.31 0.45 0.00 2.00 0.00 0.00 34.13 36.71 2e9i s GLU 75 CO -0.06 -0.49 1.32 -1.33 -0.56 0.00 0.00 175.26 174.14 2e9i n MET 76 N -0.37 2.62 0.00 4.30 2.81 -1.26 -4.94 117.12 120.28 2e9i n MET 76 Ca 0.03 -1.79 0.00 0.00 -1.81 0.00 0.00 57.70 54.13 2e9i n MET 76 Cb 0.65 -1.61 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 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 0.90 3.03 3.74 3.03 0.00 -1.26 -5.08 105.19 109.55 2e9i n GLY 77 Ca 0.16 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.48 4.24 -0.04 1.61 0.11 -1.26 -4.78 120.40 119.80 2e9i s VAL 78 Ca 0.00 2.01 -0.11 0.00 -2.93 0.00 0.00 61.98 60.95 2e9i s VAL 78 Cb 0.00 -4.28 -0.05 0.00 -1.53 0.00 0.00 36.38 30.52 2e9i s VAL 78 CO 0.00 0.38 0.30 -1.00 -3.33 0.00 0.00 175.10 171.45 2e9i s HIS 79 N -0.49 3.66 -0.08 1.54 0.09 -1.22 -3.60 115.29 115.19 2e9i s HIS 79 Ca 0.45 0.78 -0.01 0.00 -0.00 0.00 0.00 55.06 56.28 2e9i s HIS 79 Cb -0.25 -2.13 0.03 0.00 -0.00 0.00 0.00 32.58 30.23 2e9i s HIS 79 CO 0.32 0.67 -0.02 0.99 -0.00 0.00 0.00 174.74 176.70 2e9i s THR 80 N -1.10 0.52 -0.34 1.30 2.01 -1.14 -3.00 115.64 113.90 2e9i s THR 80 Ca 0.21 0.02 -0.12 0.00 0.31 0.00 0.00 61.69 62.11 2e9i s THR 80 Cb -0.15 -0.64 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 2e9i s THR 80 CO 0.10 0.28 0.21 -0.69 -0.69 0.00 0.00 174.62 173.84 2e9i s VAL 81 N 1.84 5.01 -0.74 3.82 1.01 0.83 -0.96 120.40 131.21 2e9i s VAL 81 Ca 0.04 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 61.47 2e9i s VAL 81 Cb -0.12 -3.60 0.12 0.00 0.00 0.00 0.00 36.38 32.78 2e9i s VAL 81 CO -0.05 -0.02 0.90 -0.44 0.00 0.00 0.00 175.10 175.48 2e9i s SER 82 N 1.67 6.39 -0.48 3.32 0.01 -0.67 -0.09 113.70 123.85 2e9i s SER 82 Ca 0.05 -1.69 -0.15 0.00 1.31 0.00 0.00 55.95 55.47 2e9i s SER 82 Cb -0.18 -2.34 0.08 0.00 0.21 0.00 0.00 66.02 63.79 2e9i s SER 82 CO 0.09 -1.10 0.40 -0.69 0.41 0.00 0.00 173.24 172.35 2e9i s VAL 83 N 2.65 5.16 0.12 3.43 1.01 -1.26 -3.64 120.40 127.88 2e9i s VAL 83 Ca 0.21 -1.14 0.08 0.00 0.00 0.00 0.00 61.98 61.14 2e9i s VAL 83 Cb -0.15 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 2e9i s VAL 83 CO 0.00 -0.61 -0.15 -0.54 0.00 0.00 0.00 175.10 173.80 2e9i s LYS 84 N 1.62 1.90 -0.32 2.72 1.02 -1.17 -2.91 119.74 122.60 2e9i s LYS 84 Ca 0.04 -1.14 -0.01 0.00 0.02 0.00 0.00 55.97 54.88 2e9i s LYS 84 Cb -0.25 -2.17 0.07 0.00 -0.52 0.00 0.00 37.83 34.96 2e9i s LYS 84 CO 0.06 0.48 0.03 -0.47 -0.92 0.00 0.00 175.35 174.53 2e9i s TYR 85 N -1.20 3.40 -1.44 3.18 5.04 0.56 -2.28 117.35 124.60 2e9i s TYR 85 Ca 0.19 -2.20 0.00 0.00 -2.44 0.00 0.00 57.07 52.62 2e9i s TYR 85 Cb -0.11 -2.41 0.00 0.00 0.35 0.00 0.00 41.96 39.79 2e9i s TYR 85 CO 0.12 -0.87 0.00 0.54 -1.34 0.00 0.00 175.55 174.00 2e9i n ARG 86 N 4.54 -1.88 -0.94 4.97 1.74 -1.08 -2.18 116.66 121.83 2e9i n ARG 86 Ca -0.09 0.82 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 2e9i n ARG 86 Cb 0.43 -5.39 0.00 0.00 -1.02 0.00 0.00 32.46 26.47 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 -0.81 0.90 3.15 -0.13 0.00 -1.26 -5.09 105.19 101.95 2e9i n GLY 87 Ca -0.19 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.77 0.56 0.28 1.61 -0.21 -0.93 -5.13 119.66 114.07 2e9i s GLN 88 Ca 0.00 1.00 -0.30 0.00 0.02 0.00 0.00 55.36 56.08 2e9i s GLN 88 Cb 0.00 0.53 -0.12 0.00 1.00 0.00 0.00 33.01 34.42 2e9i s GLN 88 CO 0.00 -0.61 1.51 0.72 -2.12 0.00 0.00 175.29 174.79 2e9i n HIS 89 N 5.43 2.57 -2.03 0.91 8.25 -1.26 -0.32 115.22 128.76 2e9i n HIS 89 Ca -0.01 0.34 -0.17 0.00 -0.26 0.00 0.00 57.72 57.61 2e9i n HIS 89 Cb 0.51 -2.54 0.11 0.00 1.12 0.00 0.00 29.99 29.19 2e9i n HIS 89 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2e9i n VAL 90 N 1.94 0.00 -2.00 1.59 0.24 -1.14 -4.88 118.33 114.08 2e9i n VAL 90 Ca 0.09 -0.83 -0.42 0.00 -2.04 0.00 0.00 64.34 61.14 2e9i n VAL 90 Cb 0.35 -1.38 -0.03 0.00 -1.47 0.00 0.00 33.84 31.31 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 -2.42 3.28 0.00 3.34 2.01 -1.26 -2.17 115.64 118.42 2e9i s THR 91 Ca 0.46 0.65 0.00 0.00 0.31 0.00 0.00 61.69 63.11 2e9i s THR 91 Cb -0.02 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 69.07 2e9i s THR 91 CO 0.32 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.84 2e9i n GLY 92 N 3.95 0.70 3.42 4.40 0.00 -1.25 -5.06 105.19 111.35 2e9i n GLY 92 Ca 0.16 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.27 3.66 0.58 1.61 0.15 -0.92 -3.01 113.70 113.50 2e9i s SER 93 Ca 0.00 -0.39 -0.18 0.00 0.70 0.00 0.00 55.95 56.08 2e9i s SER 93 Cb 0.00 -0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 63.67 2e9i s SER 93 CO 0.00 0.29 1.12 -2.16 1.20 0.00 0.00 173.24 173.70 2e9i s PRO 94 N -1.08 3.18 -0.04 5.44 0.04 -1.26 -4.70 135.00 136.59 2e9i s PRO 94 Ca 0.13 1.54 -0.24 0.00 0.04 0.00 0.00 61.00 62.46 2e9i s PRO 94 Cb -0.10 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2e9i s PRO 94 CO 0.03 -0.97 0.74 -0.06 0.04 0.00 0.00 177.00 176.77 2e9i s PHE 95 N -1.95 3.61 -0.08 0.56 0.08 0.87 -4.87 117.98 116.19 2e9i s PHE 95 Ca 0.71 1.33 0.04 0.00 0.12 0.00 0.00 56.93 59.12 2e9i s PHE 95 Cb -0.23 -2.83 0.00 0.00 -0.57 0.00 0.00 43.02 39.39 2e9i s PHE 95 CO 0.32 0.12 -0.20 -0.65 -0.10 0.00 0.00 175.22 174.70 2e9i s GLN 96 N 0.66 2.51 -0.06 0.44 -0.21 -1.26 -0.12 119.66 121.62 2e9i s GLN 96 Ca 0.39 -0.72 -0.19 0.00 0.02 0.00 0.00 55.36 54.85 2e9i s GLN 96 Cb -0.18 -1.97 0.04 0.00 1.00 0.00 0.00 33.01 31.90 2e9i s GLN 96 CO 0.20 0.16 0.44 -0.59 -2.12 0.00 0.00 175.29 173.37 2e9i s PHE 97 N 0.37 -0.37 -0.20 0.91 -0.12 -1.16 -4.85 117.98 112.55 2e9i s PHE 97 Ca -0.15 0.69 -0.14 0.00 -0.05 0.00 0.00 56.93 57.28 2e9i s PHE 97 Cb -0.16 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.38 2e9i s PHE 97 CO 0.06 -0.42 0.31 0.99 -0.05 0.00 0.00 175.22 176.11 2e9i s THR 98 N -0.97 5.27 0.12 -4.49 2.01 -1.26 -3.42 115.64 112.90 2e9i s THR 98 Ca -0.10 0.52 -0.09 0.00 0.31 0.00 0.00 61.69 62.33 2e9i s THR 98 Cb -0.03 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 68.77 2e9i s THR 98 CO 0.05 0.31 0.42 -0.69 -0.69 0.00 0.00 174.62 174.03 2e9i s VAL 99 N 1.01 5.08 0.08 3.82 1.01 -1.26 -4.72 120.40 125.42 2e9i s VAL 99 Ca 0.15 0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.55 2e9i s VAL 99 Cb -0.14 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2e9i s VAL 99 CO 0.06 0.17 -0.12 -0.83 0.00 0.00 0.00 175.10 174.38 2e9i s GLY 100 N -2.01 0.83 1.00 4.51 0.00 -1.24 -4.96 107.32 105.45 2e9i s GLY 100 Ca 0.37 -1.04 -0.12 0.00 0.00 0.00 0.00 44.72 43.93 2e9i s GLY 100 CO 0.20 -1.09 1.09 2.56 0.00 0.00 0.00 173.10 175.87 2e9i s PRO 101 N -2.06 0.44 0.24 2.90 0.04 -1.26 -2.95 135.00 132.35 2e9i s PRO 101 Ca -0.00 0.53 -0.02 0.00 0.04 0.00 0.00 61.00 61.55 2e9i s PRO 101 Cb -0.08 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 2e9i s PRO 101 CO 0.02 -2.73 0.46 -1.17 0.04 0.00 0.00 177.00 173.62 2e9i s LEU 102 N -6.46 4.15 -0.30 -3.56 2.96 -1.26 -4.91 118.68 109.30 2e9i s LEU 102 Ca 0.65 0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 55.03 2e9i s LEU 102 Cb -0.19 -3.30 0.19 0.00 0.50 0.00 0.00 46.19 43.40 2e9i s LEU 102 CO 0.58 -0.12 0.77 -0.83 -1.32 0.00 0.00 176.35 175.43 2e9i s GLY 103 N -3.25 -0.91 -0.27 7.98 0.00 -1.26 -5.13 107.32 104.49 2e9i s GLY 103 Ca 0.40 1.90 0.02 0.00 0.00 0.00 0.00 44.72 47.04 2e9i s GLY 103 CO 0.30 3.66 -0.04 -0.54 0.00 0.00 0.00 173.10 176.48 2e9i s GLU 104 N 2.89 1.76 0.00 2.90 0.41 -1.26 -5.05 118.70 120.35 2e9i s GLU 104 Ca 0.14 -1.31 0.00 0.00 -0.41 0.00 0.00 54.97 53.39 2e9i s GLU 104 Cb -0.11 -2.79 0.00 0.00 -1.78 0.00 0.00 34.13 29.46 2e9i s GLU 104 CO -0.20 -0.68 0.01 0.41 -0.49 0.00 0.00 175.26 174.30 2e9i n GLY 105 N 4.51 1.64 1.75 -1.39 0.00 -1.26 -5.38 105.19 105.06 2e9i n GLY 105 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2e9i n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93