#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 0.28 -0.03 1.61 1.04 -1.26 -5.08 113.70 110.26 2e9i s SER 2 Ca 0.00 -0.94 -0.02 0.00 0.48 0.00 0.00 55.95 55.47 2e9i s SER 2 Cb 0.00 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 2e9i s SER 2 CO 0.00 -0.71 -0.04 -1.20 0.98 0.00 0.00 173.24 172.27 2e9i n SER 3 N -0.03 0.32 -0.45 7.02 7.64 -1.26 -5.15 113.62 121.71 2e9i n SER 3 Ca -0.11 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2e9i n SER 3 Cb 0.62 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2e9i n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e9i n GLY 4 N 2.82 -3.56 3.19 0.23 0.00 -1.26 -5.08 105.19 101.53 2e9i n GLY 4 Ca -0.06 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 2e9i n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e9i s SER 5 N -1.95 1.46 0.27 1.61 0.15 -1.26 -5.17 113.70 108.81 2e9i s SER 5 Ca 0.00 -0.87 0.02 0.00 0.70 0.00 0.00 55.95 55.80 2e9i s SER 5 Cb 0.00 0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.29 2e9i s SER 5 CO 0.00 -0.30 0.14 -0.44 1.20 0.00 0.00 173.24 173.83 2e9i s SER 6 N -2.65 1.11 -0.99 5.45 0.01 -1.26 -5.10 113.70 110.27 2e9i s SER 6 Ca 0.08 -1.47 -0.08 0.00 1.31 0.00 0.00 55.95 55.79 2e9i s SER 6 Cb -0.01 0.32 0.25 0.00 0.21 0.00 0.00 66.02 66.79 2e9i s SER 6 CO -0.01 -0.83 0.95 -0.83 0.41 0.00 0.00 173.24 172.93 2e9i s GLY 7 N -3.30 3.06 -0.90 3.44 0.00 -1.26 -4.96 107.32 103.40 2e9i s GLY 7 Ca 0.37 -3.72 -0.05 0.00 0.00 0.00 0.00 44.72 41.32 2e9i s GLY 7 CO 0.15 1.28 0.81 -1.60 0.00 0.00 0.00 173.10 173.74 2e9i s ARG 8 N -0.95 3.45 -0.21 2.90 3.52 -1.26 -5.04 118.95 121.36 2e9i s ARG 8 Ca 0.27 -3.04 -0.31 0.00 -0.13 0.00 0.00 55.73 52.52 2e9i s ARG 8 Cb -0.10 -4.14 -0.08 0.00 -1.56 0.00 0.00 34.95 29.07 2e9i s ARG 8 CO -0.09 -1.25 2.13 0.28 -0.81 0.00 0.00 175.30 175.57 2e9i n VAL 9 N 2.83 0.38 -3.52 7.11 0.31 -1.26 -4.95 118.33 119.23 2e9i n VAL 9 Ca 0.19 -0.32 -0.33 0.00 -0.01 0.00 0.00 64.34 63.87 2e9i n VAL 9 Cb 0.39 -2.16 -0.05 0.00 -0.91 0.00 0.00 33.84 31.11 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 5.76 3.76 -0.37 5.55 1.02 -1.26 -5.07 119.74 129.14 2e9i s LYS 10 Ca 1.01 0.18 -0.02 0.00 0.02 0.00 0.00 55.97 57.16 2e9i s LYS 10 Cb -0.56 -2.82 0.09 0.00 -0.52 0.00 0.00 37.83 34.03 2e9i s LYS 10 CO 0.43 0.43 0.13 -1.21 -0.92 0.00 0.00 175.35 174.21 2e9i s GLU 11 N -2.47 2.07 -0.23 1.68 8.01 -1.26 -5.08 118.70 121.42 2e9i s GLU 11 Ca 0.41 -1.66 -0.08 0.00 0.01 0.00 0.00 54.97 53.65 2e9i s GLU 11 Cb -0.12 -3.43 -0.03 0.00 -4.31 0.00 0.00 34.13 26.23 2e9i s GLU 11 CO 0.21 -0.93 0.08 -1.12 0.01 0.00 0.00 175.26 173.51 2e9i s SER 12 N 1.55 5.30 -0.59 -0.19 0.01 -1.26 -5.05 113.70 113.47 2e9i s SER 12 Ca 0.05 -0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.19 2e9i s SER 12 Cb -0.21 -1.94 0.15 0.00 0.21 0.00 0.00 66.02 64.22 2e9i s SER 12 CO -0.04 0.01 0.38 -0.63 0.41 0.00 0.00 173.24 173.37 2e9i s ILE 13 N 1.33 3.18 0.25 1.44 1.01 -1.26 -5.08 121.20 122.07 2e9i s ILE 13 Ca 0.05 -3.25 0.09 0.00 0.00 0.00 0.00 60.65 57.54 2e9i s ILE 13 Cb -0.15 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 2e9i s ILE 13 CO 0.04 -0.86 0.03 0.42 0.00 0.00 0.00 174.94 174.57 2e9i s THR 14 N -0.32 3.67 0.03 2.92 -4.23 -1.26 -5.06 115.64 111.39 2e9i s THR 14 Ca 0.18 -1.76 -0.01 0.00 -1.18 0.00 0.00 61.69 58.92 2e9i s THR 14 Cb -0.22 -2.96 -0.00 0.00 1.34 0.00 0.00 72.50 70.67 2e9i s THR 14 CO -0.03 -0.34 -0.01 -1.14 -0.54 0.00 0.00 174.62 172.56 2e9i n ARG 15 N -0.87 0.02 -4.06 3.99 0.63 -1.26 -5.07 116.66 110.05 2e9i n ARG 15 Ca -0.07 0.01 -0.31 0.00 -0.92 0.00 0.00 57.85 56.56 2e9i n ARG 15 Cb 0.58 -0.54 -0.06 0.00 0.45 0.00 0.00 32.46 32.89 2e9i n ARG 15 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2e9i s THR 16 N -2.02 4.61 -0.86 5.15 -1.32 -1.26 -5.02 115.64 114.91 2e9i s THR 16 Ca -0.01 -0.67 -0.06 0.00 -1.21 0.00 0.00 61.69 59.73 2e9i s THR 16 Cb 0.00 -3.20 0.22 0.00 -1.51 0.00 0.00 72.50 68.02 2e9i s THR 16 CO 0.02 0.18 0.77 -0.94 -2.21 0.00 0.00 174.62 172.43 2e9i s SER 17 N -2.24 6.27 0.13 8.08 1.04 -1.26 -5.05 113.70 120.67 2e9i s SER 17 Ca 0.28 -3.25 0.05 0.00 0.48 0.00 0.00 55.95 53.50 2e9i s SER 17 Cb -0.12 -2.03 -0.04 0.00 0.10 0.00 0.00 66.02 63.93 2e9i s SER 17 CO 0.20 -0.34 0.08 -0.60 0.98 0.00 0.00 173.24 173.56 2e9i s ARG 18 N -0.68 2.76 -0.21 4.02 6.06 -1.26 -5.12 118.95 124.53 2e9i s ARG 18 Ca 0.23 -0.84 -0.31 0.00 -2.50 0.00 0.00 55.73 52.31 2e9i s ARG 18 Cb -0.12 -2.61 0.15 0.00 0.06 0.00 0.00 34.95 32.43 2e9i s ARG 18 CO -0.09 0.52 1.19 0.00 -2.50 0.00 0.00 175.30 174.42 2e9i s ALA 19 N -1.55 -2.04 -1.84 6.12 0.00 -1.26 -5.01 121.76 116.18 2e9i s ALA 19 Ca 0.29 1.68 0.15 0.00 0.00 0.00 0.00 51.96 54.08 2e9i s ALA 19 Cb -0.11 -0.76 0.88 0.00 0.00 0.00 0.00 23.12 23.14 2e9i s ALA 19 CO 0.21 -0.39 1.36 -0.35 0.00 0.00 0.00 175.76 176.59 2e9i n PRO 20 N 0.35 0.41 -1.96 0.00 -0.04 -1.26 -4.73 135.00 127.77 2e9i n PRO 20 Ca -0.03 0.04 -0.43 0.00 -0.04 0.00 0.00 63.50 63.04 2e9i n PRO 20 Cb 0.58 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 2e9i n PRO 20 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2e9i s SER 21 N -2.16 5.84 0.64 3.54 0.01 -1.26 -4.98 113.70 115.32 2e9i s SER 21 Ca 0.21 1.35 0.01 0.00 1.31 0.00 0.00 55.95 58.83 2e9i s SER 21 Cb 0.11 -2.52 0.08 0.00 0.21 0.00 0.00 66.02 63.90 2e9i s SER 21 CO 0.19 -1.74 0.88 0.68 0.41 0.00 0.00 173.24 173.66 2e9i s VAL 22 N 7.05 2.35 -0.08 3.43 -7.23 -1.26 -5.11 120.40 119.55 2e9i s VAL 22 Ca 0.82 -0.67 0.01 0.00 -1.81 0.00 0.00 61.98 60.33 2e9i s VAL 22 Cb -0.23 -2.69 0.02 0.00 0.56 0.00 0.00 36.38 34.04 2e9i s VAL 22 CO 0.34 0.00 -0.09 0.00 -0.31 0.00 0.00 175.10 175.04 2e9i s ALA 23 N -2.93 1.19 0.40 1.32 0.00 -1.26 -5.04 121.76 115.42 2e9i s ALA 23 Ca 0.62 -0.40 0.05 0.00 0.00 0.00 0.00 51.96 52.23 2e9i s ALA 23 Cb -0.07 -0.68 0.05 0.00 0.00 0.00 0.00 23.12 22.42 2e9i s ALA 23 CO 0.41 -0.12 0.45 -2.37 0.00 0.00 0.00 175.76 174.13 2e9i n THR 24 N 4.30 0.00 -4.39 0.00 5.66 -1.26 -2.46 114.28 116.14 2e9i n THR 24 Ca -0.19 -1.42 -0.22 0.00 -3.05 0.00 0.00 64.05 59.17 2e9i n THR 24 Cb 0.51 -0.46 -0.11 0.00 -1.55 0.00 0.00 70.33 68.72 2e9i n THR 24 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2e9i s VAL 25 N -1.67 2.06 -1.37 1.08 0.11 -1.24 -4.63 120.40 114.73 2e9i s VAL 25 Ca 0.34 -2.13 -0.04 0.00 -2.93 0.00 0.00 61.98 57.22 2e9i s VAL 25 Cb -0.03 -2.05 0.02 0.00 -1.53 0.00 0.00 36.38 32.80 2e9i s VAL 25 CO 0.22 -0.37 0.81 0.61 -3.33 0.00 0.00 175.10 173.04 2e9i n GLY 26 N -0.10 -0.36 3.54 6.54 0.00 -1.26 -4.97 105.19 108.59 2e9i n GLY 26 Ca -0.10 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.03 -0.33 -0.43 1.61 0.15 -1.26 -5.11 113.70 104.30 2e9i s SER 27 Ca 0.21 0.15 -0.28 0.00 0.70 0.00 0.00 55.95 56.73 2e9i s SER 27 Cb -0.10 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.51 2e9i s SER 27 CO 0.81 -0.46 1.68 -0.63 1.20 0.00 0.00 173.24 175.84 2e9i s ILE 28 N -2.24 3.59 -0.42 6.45 1.01 -1.26 -4.33 121.20 124.00 2e9i s ILE 28 Ca 0.03 0.56 -0.18 0.00 0.00 0.00 0.00 60.65 61.06 2e9i s ILE 28 Cb -0.01 -3.92 0.02 0.00 0.01 0.00 0.00 42.46 38.56 2e9i s ILE 28 CO -0.04 -0.67 0.47 0.00 0.00 0.00 0.00 174.94 174.69 2e9i s ASP 30 N 1.83 6.90 -0.45 0.00 1.01 -1.26 -3.56 116.67 121.14 2e9i s ASP 30 Ca 0.14 1.45 -0.10 0.00 0.71 0.00 0.00 52.55 54.75 2e9i s ASP 30 Cb -0.17 -2.54 0.10 0.00 1.01 0.00 0.00 42.92 41.32 2e9i s ASP 30 CO 0.14 -0.84 0.31 -0.22 0.21 0.00 0.00 175.17 174.77 2e9i s LEU 31 N 3.70 5.43 -0.06 1.23 2.96 0.48 -4.97 118.68 127.44 2e9i s LEU 31 Ca 0.52 -1.67 -0.21 0.00 -0.22 0.00 0.00 54.13 52.55 2e9i s LEU 31 Cb -0.18 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 2e9i s LEU 31 CO 0.15 -0.62 0.61 0.54 -1.32 0.00 0.00 176.35 175.72 2e9i s ASN 32 N 2.41 6.90 0.05 3.68 2.20 -1.26 -2.38 114.94 126.54 2e9i s ASN 32 Ca 0.04 1.08 0.04 0.00 -0.94 0.00 0.00 52.86 53.08 2e9i s ASN 32 Cb -0.25 -2.37 -0.03 0.00 -2.00 0.00 0.00 41.25 36.61 2e9i s ASN 32 CO 0.01 -0.03 -0.11 -0.76 -2.94 0.00 0.00 177.10 173.27 2e9i s LEU 33 N 0.50 2.26 -0.55 3.54 1.43 -1.24 -5.07 118.68 119.56 2e9i s LEU 33 Ca 0.33 -0.57 -0.21 0.00 -1.03 0.00 0.00 54.13 52.65 2e9i s LEU 33 Cb -0.17 -0.33 0.06 0.00 0.03 0.00 0.00 46.19 45.78 2e9i s LEU 33 CO 0.16 -0.14 0.76 -0.54 0.23 0.00 0.00 176.35 176.82 2e9i s LYS 34 N -1.63 3.15 -0.03 1.70 -0.14 -1.26 -4.35 119.74 117.18 2e9i s LYS 34 Ca -0.06 -0.82 0.06 0.00 -1.36 0.00 0.00 55.97 53.78 2e9i s LYS 34 Cb -0.10 -4.14 -0.01 0.00 -1.68 0.00 0.00 37.83 31.90 2e9i s LYS 34 CO 0.01 -1.42 -0.20 0.42 -0.76 0.00 0.00 175.35 173.40 2e9i s ILE 35 N 3.14 1.61 0.00 2.17 1.01 -1.25 -5.09 121.20 122.78 2e9i s ILE 35 Ca 0.19 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.98 2e9i s ILE 35 Cb -0.18 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 40.94 2e9i s ILE 35 CO 0.12 0.46 0.00 -0.81 0.00 0.00 0.00 174.94 174.71 2e9i n PRO 36 N 2.74 -0.27 -0.04 2.79 -0.04 -1.26 -4.16 135.00 134.76 2e9i n PRO 36 Ca -0.16 0.00 0.21 0.00 -0.04 0.00 0.00 63.50 63.51 2e9i n PRO 36 Cb 0.53 0.00 0.43 0.00 -0.04 0.00 0.00 33.50 34.42 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 -4.51 0.54 5.08 -1.89 -3.39 114.58 110.41 2e9i h GLU 37 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 2e9i h GLU 37 Cb 0.00 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.32 2e9i h GLU 37 CO 0.00 0.00 -0.30 -0.89 -1.00 0.00 0.00 179.01 176.82 2e9i n ILE 38 N -3.16 1.17 -2.74 3.13 5.41 -1.26 -4.69 119.36 117.21 2e9i n ILE 38 Ca 0.15 -0.29 -0.20 0.00 1.00 0.00 0.00 62.75 63.41 2e9i n ILE 38 Cb 1.23 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 40.20 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 -0.58 5.24 -0.15 4.38 0.01 -1.26 -4.77 114.94 117.81 2e9i s ASN 39 Ca 0.53 -0.21 0.11 0.00 -0.71 0.00 0.00 52.86 52.57 2e9i s ASN 39 Cb -0.76 -0.64 -0.23 0.00 0.41 0.00 0.00 41.25 40.03 2e9i s ASN 39 CO 0.42 -1.15 0.25 -1.54 -1.51 0.00 0.00 177.10 173.57 2e9i n SER 40 N -2.28 0.87 0.16 -1.22 3.41 -1.26 -3.73 113.62 109.57 2e9i n SER 40 Ca 0.09 0.14 0.10 0.00 -0.26 0.00 0.00 58.87 58.94 2e9i n SER 40 Cb 0.60 0.20 0.51 0.00 -0.26 0.00 0.00 64.21 65.26 2e9i n SER 40 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2e9i n SER 41 N -3.02 0.49 -0.00 4.04 2.88 -1.26 -0.11 113.62 116.64 2e9i n SER 41 Ca -0.30 0.70 0.05 0.00 -1.33 0.00 0.00 58.87 57.99 2e9i n SER 41 Cb 1.08 -0.73 -0.07 0.00 -0.75 0.00 0.00 64.21 63.74 2e9i n SER 41 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2e9i n ASP 42 N -2.19 1.10 -4.94 -3.46 8.00 -1.26 -5.01 116.55 108.79 2e9i n ASP 42 Ca -0.01 -0.53 -0.20 0.00 0.71 0.00 0.00 54.79 54.76 2e9i n ASP 42 Cb 0.12 1.17 0.05 0.00 -0.02 0.00 0.00 41.12 42.44 2e9i n ASP 42 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2e9i s MET 43 N -2.30 2.40 0.02 -1.24 -1.94 0.85 -3.81 119.30 113.29 2e9i s MET 43 Ca 0.02 -1.15 -0.04 0.00 -1.71 0.00 0.00 55.69 52.81 2e9i s MET 43 Cb 0.08 -2.57 -0.01 0.00 2.01 0.00 0.00 34.83 34.34 2e9i s MET 43 CO 0.47 -0.77 0.06 0.45 -0.01 0.00 0.00 175.02 175.22 2e9i s SER 44 N -4.52 0.18 -0.09 3.03 0.15 -1.17 -4.94 113.70 106.33 2e9i s SER 44 Ca 0.59 -0.46 -0.03 0.00 0.70 0.00 0.00 55.95 56.75 2e9i s SER 44 Cb -0.08 0.17 0.05 0.00 -1.71 0.00 0.00 66.02 64.45 2e9i s SER 44 CO 0.38 -0.40 0.16 0.00 1.20 0.00 0.00 173.24 174.58 2e9i s ALA 45 N -1.93 -0.13 0.04 5.45 0.00 -1.26 -3.67 121.76 120.27 2e9i s ALA 45 Ca -0.11 0.49 0.04 0.00 0.00 0.00 0.00 51.96 52.37 2e9i s ALA 45 Cb -0.06 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 2e9i s ALA 45 CO -0.02 -0.63 -0.11 -1.01 0.00 0.00 0.00 175.76 173.99 2e9i s HIS 46 N 2.28 0.95 -0.44 0.00 3.76 -1.07 -0.22 115.29 120.55 2e9i s HIS 46 Ca 0.03 -0.39 -0.04 0.00 -0.15 0.00 0.00 55.06 54.52 2e9i s HIS 46 Cb -0.12 -0.56 0.12 0.00 1.11 0.00 0.00 32.58 33.12 2e9i s HIS 46 CO -0.06 -0.00 0.24 0.08 -0.85 0.00 0.00 174.74 174.15 2e9i s VAL 47 N -1.03 3.43 0.48 -0.90 1.01 0.87 -0.87 120.40 123.41 2e9i s VAL 47 Ca -0.03 -2.12 -0.22 0.00 0.00 0.00 0.00 61.98 59.61 2e9i s VAL 47 Cb -0.08 -3.33 -0.07 0.00 0.00 0.00 0.00 36.38 32.89 2e9i s VAL 47 CO 0.01 -0.72 1.11 -0.89 0.00 0.00 0.00 175.10 174.61 2e9i s THR 48 N 1.04 3.37 0.14 3.92 2.01 -0.06 -2.07 115.64 123.98 2e9i s THR 48 Ca 0.09 0.94 0.05 0.00 0.31 0.00 0.00 61.69 63.08 2e9i s THR 48 Cb -0.23 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 2e9i s THR 48 CO -0.04 -0.10 0.07 -0.44 -0.69 0.00 0.00 174.62 173.43 2e9i s SER 49 N -1.64 5.26 0.00 3.53 0.01 0.14 -3.12 113.70 117.88 2e9i s SER 49 Ca 0.66 -0.18 0.11 0.00 1.31 0.00 0.00 55.95 57.85 2e9i s SER 49 Cb -0.24 -1.30 0.67 0.00 0.21 0.00 0.00 66.02 65.36 2e9i s SER 49 CO 0.28 0.11 1.10 -0.81 0.41 0.00 0.00 173.24 174.33 2e9i n PRO 50 N -0.02 0.49 -0.01 12.44 -0.04 -1.24 -1.99 135.00 144.63 2e9i n PRO 50 Ca -0.09 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.44 2e9i n PRO 50 Cb 0.54 -1.36 -0.11 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.86 1.74 0.00 3.54 3.41 -1.26 -4.99 113.62 115.20 2e9i n SER 51 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2e9i n SER 51 Cb 0.04 1.64 0.00 0.00 -0.26 0.00 0.00 64.21 65.63 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 1.70 1.66 3.82 5.00 0.00 -0.84 -5.12 105.19 111.40 2e9i n GLY 52 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 3.60 -0.04 1.61 3.00 -1.26 -4.80 118.95 121.06 2e9i s ARG 53 Ca 0.00 1.13 0.01 0.00 0.00 0.00 0.00 55.73 56.87 2e9i s ARG 53 Cb 0.00 -2.08 0.02 0.00 0.00 0.00 0.00 34.95 32.89 2e9i s ARG 53 CO 0.00 -0.57 -0.05 0.08 0.00 0.00 0.00 175.30 174.76 2e9i s VAL 54 N -2.46 0.52 0.16 3.52 1.01 -1.26 0.27 120.40 122.16 2e9i s VAL 54 Ca 0.62 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.56 2e9i s VAL 54 Cb -0.14 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2e9i s VAL 54 CO 0.33 0.21 -0.11 -0.89 0.00 0.00 0.00 175.10 174.64 2e9i s THR 55 N 0.79 3.13 0.06 3.92 2.01 -0.88 -4.96 115.64 119.71 2e9i s THR 55 Ca -0.10 -1.59 -0.14 0.00 0.31 0.00 0.00 61.69 60.17 2e9i s THR 55 Cb -0.13 -2.52 -0.06 0.00 0.01 0.00 0.00 72.50 69.80 2e9i s THR 55 CO 0.00 -0.04 0.46 -0.70 -0.69 0.00 0.00 174.62 173.65 2e9i s GLU 56 N -2.62 3.93 0.32 4.92 2.12 -1.26 -0.09 118.70 126.02 2e9i s GLU 56 Ca 0.23 0.41 0.08 0.00 0.36 0.00 0.00 54.97 56.05 2e9i s GLU 56 Cb -0.09 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 2e9i s GLU 56 CO 0.14 0.60 0.17 0.00 -0.54 0.00 0.00 175.26 175.63 2e9i s ALA 57 N -1.26 3.55 0.07 6.30 0.00 0.69 -4.85 121.76 126.26 2e9i s ALA 57 Ca 0.30 -1.73 0.06 0.00 0.00 0.00 0.00 51.96 50.59 2e9i s ALA 57 Cb -0.16 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 2e9i s ALA 57 CO 0.17 0.07 -0.10 -2.00 0.00 0.00 0.00 175.76 173.90 2e9i s GLU 58 N -3.86 2.25 -0.35 0.00 -6.30 -1.26 -4.67 118.70 104.51 2e9i s GLU 58 Ca 0.37 -0.93 0.01 0.00 -2.50 0.00 0.00 54.97 51.93 2e9i s GLU 58 Cb -0.04 -2.35 0.10 0.00 0.00 0.00 0.00 34.13 31.83 2e9i s GLU 58 CO 0.23 0.54 0.08 0.42 0.02 0.00 0.00 175.26 176.55 2e9i s ILE 59 N -1.12 2.62 0.21 -3.70 1.01 -1.26 -3.09 121.20 115.87 2e9i s ILE 59 Ca 0.19 -2.12 -0.30 0.00 0.00 0.00 0.00 60.65 58.42 2e9i s ILE 59 Cb -0.11 -2.82 -0.09 0.00 0.01 0.00 0.00 42.46 39.45 2e9i s ILE 59 CO 0.11 -0.53 1.31 -0.69 0.00 0.00 0.00 174.94 175.13 2e9i s VAL 60 N 1.02 3.19 -0.13 2.92 1.01 -0.19 -4.91 120.40 123.31 2e9i s VAL 60 Ca 0.07 0.99 -0.29 0.00 0.00 0.00 0.00 61.98 62.74 2e9i s VAL 60 Cb -0.20 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2e9i s VAL 60 CO -0.06 0.15 1.55 -2.16 0.00 0.00 0.00 175.10 174.58 2e9i s PRO 61 N -0.21 4.09 0.00 2.72 0.04 -1.26 -3.20 135.00 137.18 2e9i s PRO 61 Ca 0.56 1.92 -0.00 0.00 0.04 0.00 0.00 61.00 63.52 2e9i s PRO 61 Cb -0.37 -3.94 -0.00 0.00 0.04 0.00 0.00 34.50 30.23 2e9i s PRO 61 CO 0.39 -0.93 -0.00 -1.33 0.04 0.00 0.00 177.00 175.16 2e9i n MET 62 N 7.14 0.01 -4.03 4.56 2.81 -1.25 -5.00 117.12 121.36 2e9i n MET 62 Ca 0.17 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.96 2e9i n MET 62 Cb 0.44 -0.18 -0.07 0.00 -0.71 0.00 0.00 33.22 32.70 2e9i n MET 62 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2e9i s GLY 63 N -3.06 0.73 0.50 3.03 0.00 -1.08 -4.92 107.32 102.52 2e9i s GLY 63 Ca -0.00 -1.08 0.31 0.00 0.00 0.00 0.00 44.72 43.95 2e9i s GLY 63 CO 0.01 -0.91 1.79 0.07 0.00 0.00 0.00 173.10 174.05 2e9i h LYS 64 N 2.48 0.11 0.00 2.90 2.10 -1.95 0.76 116.57 122.96 2e9i h LYS 64 Ca -0.31 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.32 2e9i h LYS 64 Cb 1.24 -0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 32.50 2e9i h LYS 64 CO 0.45 0.07 -0.33 0.27 -2.00 0.00 0.00 179.45 177.92 2e9i n ASN 65 N -4.33 1.51 -4.23 7.07 6.94 -1.26 -4.25 115.26 116.72 2e9i n ASN 65 Ca 0.26 -2.87 -0.27 0.00 -0.02 0.00 0.00 54.58 51.68 2e9i n ASN 65 Cb 1.15 -0.38 -0.15 0.00 -2.36 0.00 0.00 39.78 38.04 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 -2.40 2.42 -0.12 0.53 0.01 0.26 -3.96 113.70 110.43 2e9i s SER 66 Ca 0.26 -0.42 -0.08 0.00 1.31 0.00 0.00 55.95 57.02 2e9i s SER 66 Cb 0.24 -0.25 0.04 0.00 0.21 0.00 0.00 66.02 66.26 2e9i s SER 66 CO -0.02 0.22 0.30 -1.00 0.41 0.00 0.00 173.24 173.15 2e9i s HIS 67 N -0.58 -0.37 -0.15 2.43 3.76 -1.26 -2.62 115.29 116.51 2e9i s HIS 67 Ca 0.08 0.86 -0.01 0.00 -0.15 0.00 0.00 55.06 55.84 2e9i s HIS 67 Cb -0.08 0.11 0.04 0.00 1.11 0.00 0.00 32.58 33.76 2e9i s HIS 67 CO -0.00 -0.21 -0.03 0.00 -0.85 0.00 0.00 174.74 173.65 2e9i s VAL 69 N 1.73 5.18 -0.08 0.00 1.01 -1.00 -1.02 120.40 126.21 2e9i s VAL 69 Ca 0.02 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2e9i s VAL 69 Cb -0.15 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.64 2e9i s VAL 69 CO -0.07 0.58 -0.07 0.00 0.00 0.00 0.00 175.10 175.54 2e9i s ARG 70 N -1.01 1.29 0.25 2.72 1.70 -1.18 -0.38 118.95 122.34 2e9i s ARG 70 Ca 0.21 -0.20 -0.22 0.00 -0.47 0.00 0.00 55.73 55.05 2e9i s ARG 70 Cb -0.15 -1.31 0.03 0.00 -0.57 0.00 0.00 34.95 32.95 2e9i s ARG 70 CO 0.10 -0.17 0.71 -0.59 -1.08 0.00 0.00 175.30 174.27 2e9i s PHE 71 N 1.38 -0.26 -0.65 5.89 -0.12 -1.23 -4.22 117.98 118.77 2e9i s PHE 71 Ca -0.02 -0.15 -0.12 0.00 -0.05 0.00 0.00 56.93 56.60 2e9i s PHE 71 Cb -0.14 0.68 0.17 0.00 -0.63 0.00 0.00 43.02 43.10 2e9i s PHE 71 CO -0.04 -1.14 0.56 0.08 -0.05 0.00 0.00 175.22 174.63 2e9i s VAL 72 N -3.85 4.89 -1.16 -2.49 1.01 -1.26 -1.58 120.40 115.96 2e9i s VAL 72 Ca 0.09 -2.17 -0.23 0.00 0.00 0.00 0.00 61.98 59.67 2e9i s VAL 72 Cb -0.05 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.14 2e9i s VAL 72 CO 0.03 -0.91 1.93 -2.16 0.00 0.00 0.00 175.10 173.99 2e9i s PRO 73 N 0.73 2.50 -0.24 2.72 0.04 -1.26 -4.89 135.00 134.60 2e9i s PRO 73 Ca 0.12 -1.10 0.02 0.00 0.04 0.00 0.00 61.00 60.08 2e9i s PRO 73 Cb -0.20 -5.23 0.05 0.00 0.04 0.00 0.00 34.50 29.16 2e9i s PRO 73 CO -0.03 -3.93 -0.12 1.14 0.04 0.00 0.00 177.00 174.10 2e9i s GLN 74 N 6.51 2.49 0.32 4.56 -2.07 -1.26 -4.65 119.66 125.56 2e9i s GLN 74 Ca 0.68 -1.18 0.03 0.00 -1.82 0.00 0.00 55.36 53.07 2e9i s GLN 74 Cb -0.01 -2.85 -0.01 0.00 -1.09 0.00 0.00 33.01 29.05 2e9i s GLN 74 CO 0.12 -0.47 0.36 0.39 -1.32 0.00 0.00 175.29 174.36 2e9i n GLU 75 N 4.51 0.51 -0.88 9.60 -0.58 -1.26 -5.04 120.64 127.50 2e9i n GLU 75 Ca -0.16 -2.95 0.07 0.00 -0.42 0.00 0.00 57.16 53.70 2e9i n GLU 75 Cb 0.44 2.59 0.40 0.00 -0.57 0.00 0.00 31.44 34.31 2e9i n GLU 75 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2e9i n MET 76 N -0.58 4.82 0.00 3.49 2.81 -1.26 -4.96 117.12 121.44 2e9i n MET 76 Ca 0.04 -3.09 0.00 0.00 -1.81 0.00 0.00 57.70 52.85 2e9i n MET 76 Cb 0.57 -2.25 0.00 0.00 -0.71 0.00 0.00 33.22 30.83 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 0.62 1.14 3.86 3.03 0.00 -1.26 -5.02 105.19 107.56 2e9i n GLY 77 Ca 0.27 0.28 -0.33 0.00 0.00 0.00 0.00 46.02 46.24 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 1.82 4.81 -0.15 1.61 0.11 -1.26 -4.72 120.40 122.61 2e9i s VAL 78 Ca 0.00 0.75 -0.03 0.00 -2.93 0.00 0.00 61.98 59.76 2e9i s VAL 78 Cb 0.00 -3.66 -0.03 0.00 -1.53 0.00 0.00 36.38 31.17 2e9i s VAL 78 CO 0.00 -0.03 -0.04 -1.00 -3.33 0.00 0.00 175.10 170.70 2e9i s HIS 79 N -1.78 3.02 -0.18 1.54 0.09 -1.19 -3.60 115.29 113.19 2e9i s HIS 79 Ca 0.47 -0.29 0.01 0.00 -0.00 0.00 0.00 55.06 55.25 2e9i s HIS 79 Cb -0.12 -1.94 0.03 0.00 -0.00 0.00 0.00 32.58 30.55 2e9i s HIS 79 CO 0.20 -0.02 -0.15 0.99 -0.00 0.00 0.00 174.74 175.76 2e9i s THR 80 N 0.30 1.79 -0.17 1.30 2.01 -1.18 -2.67 115.64 117.01 2e9i s THR 80 Ca -0.04 -0.89 -0.15 0.00 0.31 0.00 0.00 61.69 60.91 2e9i s THR 80 Cb -0.14 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 2e9i s THR 80 CO 0.03 0.38 0.37 -0.69 -0.69 0.00 0.00 174.62 174.02 2e9i s VAL 81 N 1.37 5.24 -0.37 3.82 1.01 -0.45 -0.89 120.40 130.13 2e9i s VAL 81 Ca 0.02 0.69 -0.10 0.00 0.00 0.00 0.00 61.98 62.59 2e9i s VAL 81 Cb -0.14 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.56 2e9i s VAL 81 CO -0.10 0.32 0.20 -0.44 0.00 0.00 0.00 175.10 175.07 2e9i s SER 82 N 0.75 5.68 -0.39 3.32 0.01 -0.04 -0.68 113.70 122.34 2e9i s SER 82 Ca 0.19 -1.04 0.02 0.00 1.31 0.00 0.00 55.95 56.42 2e9i s SER 82 Cb -0.14 -2.00 0.11 0.00 0.21 0.00 0.00 66.02 64.19 2e9i s SER 82 CO 0.07 -0.39 0.13 -0.69 0.41 0.00 0.00 173.24 172.77 2e9i s VAL 83 N 1.53 2.69 -0.01 3.43 1.01 -1.26 -2.59 120.40 125.19 2e9i s VAL 83 Ca 0.01 -2.37 0.03 0.00 0.00 0.00 0.00 61.98 59.65 2e9i s VAL 83 Cb -0.19 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 2e9i s VAL 83 CO 0.06 -0.66 -0.06 -0.54 0.00 0.00 0.00 175.10 173.90 2e9i s LYS 84 N 0.83 2.62 -0.65 2.72 1.02 -1.24 -2.21 119.74 122.82 2e9i s LYS 84 Ca 0.11 -0.68 -0.07 0.00 0.02 0.00 0.00 55.97 55.35 2e9i s LYS 84 Cb -0.21 -2.54 0.17 0.00 -0.52 0.00 0.00 37.83 34.73 2e9i s LYS 84 CO -0.06 0.62 0.52 -0.47 -0.92 0.00 0.00 175.35 175.04 2e9i s TYR 85 N -0.97 3.52 -1.10 3.18 5.04 0.56 -3.05 117.35 124.53 2e9i s TYR 85 Ca 0.16 -2.32 -0.06 0.00 -2.44 0.00 0.00 57.07 52.41 2e9i s TYR 85 Cb -0.11 -3.45 0.01 0.00 0.35 0.00 0.00 41.96 38.76 2e9i s TYR 85 CO 0.07 -0.92 0.81 0.54 -1.34 0.00 0.00 175.55 174.71 2e9i n ARG 86 N 3.93 -5.62 -1.79 4.97 1.74 -1.25 -3.43 116.66 115.21 2e9i n ARG 86 Ca 0.06 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 2e9i n ARG 86 Cb 0.41 -5.14 0.00 0.00 -1.02 0.00 0.00 32.46 26.72 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 -1.60 0.77 3.16 -0.13 0.00 -1.26 -5.08 105.19 101.05 2e9i n GLY 87 Ca -0.02 -0.47 0.03 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.49 0.56 0.13 1.61 -0.21 -1.22 -5.13 119.66 111.90 2e9i s GLN 88 Ca 0.00 1.01 -0.33 0.00 0.02 0.00 0.00 55.36 56.06 2e9i s GLN 88 Cb 0.00 0.54 -0.13 0.00 1.00 0.00 0.00 33.01 34.42 2e9i s GLN 88 CO 0.00 -0.60 1.67 0.72 -2.12 0.00 0.00 175.29 174.96 2e9i n HIS 89 N 5.43 2.38 -1.42 0.91 8.25 -1.26 -0.32 115.22 129.19 2e9i n HIS 89 Ca -0.02 0.15 -0.24 0.00 -0.26 0.00 0.00 57.72 57.36 2e9i n HIS 89 Cb 0.51 -2.60 0.18 0.00 1.12 0.00 0.00 29.99 29.20 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 3.88 0.00 -1.92 1.59 0.24 -0.94 -4.89 118.33 116.29 2e9i n VAL 90 Ca 0.18 -0.63 -0.42 0.00 -2.04 0.00 0.00 64.34 61.43 2e9i n VAL 90 Cb 0.31 -1.44 -0.03 0.00 -1.47 0.00 0.00 33.84 31.21 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 -3.05 3.12 0.00 3.34 2.01 -1.26 -2.35 115.64 117.45 2e9i s THR 91 Ca 0.60 0.49 0.00 0.00 0.31 0.00 0.00 61.69 63.09 2e9i s THR 91 Cb -0.03 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.16 2e9i s THR 91 CO 0.43 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 2e9i n GLY 92 N 4.05 0.45 3.23 4.40 0.00 -1.26 -5.06 105.19 111.01 2e9i n GLY 92 Ca 0.16 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.97 2.45 0.74 1.61 0.15 -0.99 -3.34 113.70 111.35 2e9i s SER 93 Ca 0.00 -0.43 -0.12 0.00 0.70 0.00 0.00 55.95 56.10 2e9i s SER 93 Cb 0.00 -0.24 0.04 0.00 -1.71 0.00 0.00 66.02 64.10 2e9i s SER 93 CO 0.00 0.22 1.10 -2.16 1.20 0.00 0.00 173.24 173.59 2e9i s PRO 94 N -0.77 2.43 0.07 5.44 0.04 -1.26 -4.80 135.00 136.14 2e9i s PRO 94 Ca 0.08 1.24 -0.14 0.00 0.04 0.00 0.00 61.00 62.22 2e9i s PRO 94 Cb -0.08 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 2e9i s PRO 94 CO 0.00 -1.52 0.46 -0.06 0.04 0.00 0.00 177.00 175.93 2e9i s PHE 95 N -2.73 3.67 -0.10 0.56 0.08 0.14 -4.93 117.98 114.67 2e9i s PHE 95 Ca 0.63 0.99 0.02 0.00 0.12 0.00 0.00 56.93 58.69 2e9i s PHE 95 Cb -0.18 -2.30 0.01 0.00 -0.57 0.00 0.00 43.02 39.98 2e9i s PHE 95 CO 0.51 0.55 -0.15 -0.65 -0.10 0.00 0.00 175.22 175.38 2e9i s GLN 96 N -1.54 2.12 -0.09 0.44 -0.21 -1.26 -1.34 119.66 117.77 2e9i s GLN 96 Ca 0.31 -0.54 -0.12 0.00 0.02 0.00 0.00 55.36 55.03 2e9i s GLN 96 Cb -0.16 -1.78 0.03 0.00 1.00 0.00 0.00 33.01 32.10 2e9i s GLN 96 CO 0.17 -0.02 0.31 -0.59 -2.12 0.00 0.00 175.29 173.04 2e9i s PHE 97 N 0.85 -0.29 -0.18 0.91 -0.71 -1.09 -5.07 117.98 112.40 2e9i s PHE 97 Ca -0.10 0.68 -0.10 0.00 -1.04 0.00 0.00 56.93 56.37 2e9i s PHE 97 Cb -0.15 0.11 -0.05 0.00 -1.21 0.00 0.00 43.02 41.71 2e9i s PHE 97 CO 0.01 -0.22 0.15 0.99 -1.34 0.00 0.00 175.22 174.81 2e9i s THR 98 N -0.23 5.40 0.41 -4.49 2.01 -1.26 -3.14 115.64 114.34 2e9i s THR 98 Ca -0.04 0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.20 2e9i s THR 98 Cb -0.03 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 2e9i s THR 98 CO 0.01 0.46 0.64 -0.69 -0.69 0.00 0.00 174.62 174.35 2e9i s VAL 99 N 0.20 4.62 0.03 3.82 1.01 -1.26 -4.49 120.40 124.32 2e9i s VAL 99 Ca 0.10 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2e9i s VAL 99 Cb -0.11 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2e9i s VAL 99 CO -0.00 -0.51 0.05 -0.83 0.00 0.00 0.00 175.10 173.80 2e9i s GLY 100 N -4.12 1.97 0.94 4.51 0.00 -1.03 -5.01 107.32 104.58 2e9i s GLY 100 Ca 0.45 -0.95 -0.12 0.00 0.00 0.00 0.00 44.72 44.10 2e9i s GLY 100 CO 0.38 -0.86 1.09 2.56 0.00 0.00 0.00 173.10 176.28 2e9i s PRO 101 N -1.89 0.89 -0.24 2.90 0.04 -1.26 -3.69 135.00 131.75 2e9i s PRO 101 Ca 0.24 0.69 -0.26 0.00 0.04 0.00 0.00 61.00 61.70 2e9i s PRO 101 Cb -0.12 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2e9i s PRO 101 CO 0.15 -2.46 0.91 -1.17 0.04 0.00 0.00 177.00 174.47 2e9i s LEU 102 N -6.33 4.09 -0.28 -3.56 0.20 -1.26 -4.89 118.68 106.65 2e9i s LEU 102 Ca 0.64 1.17 -0.22 0.00 0.69 0.00 0.00 54.13 56.40 2e9i s LEU 102 Cb -0.18 -3.32 0.10 0.00 -0.43 0.00 0.00 46.19 42.36 2e9i s LEU 102 CO 0.57 -0.57 0.89 -0.83 -0.29 0.00 0.00 176.35 176.12 2e9i s GLY 103 N 1.29 -0.31 0.57 7.98 0.00 -1.26 -5.16 107.32 110.43 2e9i s GLY 103 Ca 0.38 2.53 -0.18 0.00 0.00 0.00 0.00 44.72 47.46 2e9i s GLY 103 CO 0.07 2.00 1.09 1.85 0.00 0.00 0.00 173.10 178.11 2e9i s GLU 104 N 0.63 3.32 0.30 2.90 2.12 -1.26 -4.76 118.70 121.96 2e9i s GLU 104 Ca -0.01 1.40 0.00 0.00 0.36 0.00 0.00 54.97 56.71 2e9i s GLU 104 Cb -0.05 -2.02 0.00 0.00 0.26 0.00 0.00 34.13 32.32 2e9i s GLU 104 CO -0.07 -0.84 0.00 0.41 -0.54 0.00 0.00 175.26 174.22 2e9i n GLY 105 N -0.39 1.76 3.65 -1.50 0.00 -1.26 -5.28 105.19 102.16 2e9i n GLY 105 Ca 0.10 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.73 2e9i n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93