#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9i n SER 2 N 0.00 1.10 -3.70 1.61 3.41 -1.26 -5.13 113.62 109.66 2e9i n SER 2 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 2e9i n SER 2 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2e9i n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2e9i s SER 3 N -4.32 -0.17 0.03 4.04 0.01 -1.26 -5.18 113.70 106.85 2e9i s SER 3 Ca 0.00 -0.42 0.04 0.00 1.31 0.00 0.00 55.95 56.87 2e9i s SER 3 Cb 0.00 0.47 -0.02 0.00 0.21 0.00 0.00 66.02 66.68 2e9i s SER 3 CO 0.00 -0.87 -0.11 -0.83 0.41 0.00 0.00 173.24 171.84 2e9i s GLY 4 N -2.83 0.63 -1.20 3.44 0.00 -1.26 -5.07 107.32 101.03 2e9i s GLY 4 Ca 0.05 -0.72 -0.18 0.00 0.00 0.00 0.00 44.72 43.87 2e9i s GLY 4 CO -0.10 -0.72 1.57 -0.45 0.00 0.00 0.00 173.10 173.40 2e9i s SER 5 N -1.12 6.82 -0.74 1.64 0.15 -1.26 -4.94 113.70 114.25 2e9i s SER 5 Ca -0.02 -2.37 -0.27 0.00 0.70 0.00 0.00 55.95 54.00 2e9i s SER 5 Cb -0.08 -2.52 -0.15 0.00 -1.71 0.00 0.00 66.02 61.56 2e9i s SER 5 CO 0.01 -1.12 2.50 -0.24 1.20 0.00 0.00 173.24 175.59 2e9i n SER 6 N 7.70 1.28 0.00 5.45 2.88 -1.26 -4.40 113.62 125.28 2e9i n SER 6 Ca 0.41 -0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2e9i n SER 6 Cb 0.46 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 2e9i n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e9i n GLY 7 N 6.23 2.61 3.24 0.46 0.00 -1.26 -5.04 105.19 111.43 2e9i n GLY 7 Ca 0.51 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 2e9i n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2e9i s ARG 8 N -5.29 2.51 -0.30 1.61 3.00 -1.26 -5.02 118.95 114.21 2e9i s ARG 8 Ca 0.00 -1.37 -0.10 0.00 -1.00 0.00 0.00 55.73 53.26 2e9i s ARG 8 Cb 0.00 -3.56 0.18 0.00 0.00 0.00 0.00 34.95 31.57 2e9i s ARG 8 CO 0.00 -0.81 0.95 0.54 0.00 0.00 0.00 175.30 175.98 2e9i s VAL 9 N 1.36 -0.47 -0.09 7.11 0.11 -1.26 -5.16 120.40 122.01 2e9i s VAL 9 Ca 0.01 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.00 2e9i s VAL 9 Cb -0.21 -0.99 0.03 0.00 -1.53 0.00 0.00 36.38 33.68 2e9i s VAL 9 CO 0.01 0.00 0.21 -1.59 -3.33 0.00 0.00 175.10 170.41 2e9i s LYS 10 N 2.93 0.21 -1.56 1.54 -2.85 -1.26 -4.90 119.74 113.85 2e9i s LYS 10 Ca 0.04 0.39 -0.05 0.00 -1.00 0.00 0.00 55.97 55.34 2e9i s LYS 10 Cb -0.11 -0.00 0.05 0.00 -2.06 0.00 0.00 37.83 35.70 2e9i s LYS 10 CO -0.13 -0.09 0.30 -1.91 0.10 0.00 0.00 175.35 173.62 2e9i n GLU 11 N 3.58 -1.96 -2.56 1.78 4.07 -1.26 -4.86 120.64 119.43 2e9i n GLU 11 Ca -0.19 0.23 -0.15 0.00 -0.06 0.00 0.00 57.16 57.00 2e9i n GLU 11 Cb 0.56 -4.21 0.02 0.00 -0.06 0.00 0.00 31.44 27.75 2e9i n GLU 11 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2e9i n SER 12 N -2.84 2.86 -3.76 4.31 3.41 -1.26 -4.98 113.62 111.35 2e9i n SER 12 Ca -0.22 -3.03 -0.30 0.00 -0.26 0.00 0.00 58.87 55.06 2e9i n SER 12 Cb 0.64 -0.48 -0.13 0.00 -0.26 0.00 0.00 64.21 63.98 2e9i n SER 12 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2e9i s ILE 13 N -4.14 1.67 -0.35 -1.33 -1.09 -1.26 -4.97 121.20 109.72 2e9i s ILE 13 Ca 0.36 -2.73 -0.02 0.00 -2.23 0.00 0.00 60.65 56.04 2e9i s ILE 13 Cb 0.41 -2.16 0.18 0.00 -1.58 0.00 0.00 42.46 39.31 2e9i s ILE 13 CO -0.04 -0.87 2.19 0.35 -1.23 0.00 0.00 174.94 175.34 2e9i n THR 14 N 3.45 2.90 -4.42 2.92 -2.24 -1.26 -4.89 114.28 110.74 2e9i n THR 14 Ca 0.08 -1.94 -0.22 0.00 -2.27 0.00 0.00 64.05 59.71 2e9i n THR 14 Cb 0.34 -1.40 -0.10 0.00 -2.10 0.00 0.00 70.33 67.07 2e9i n THR 14 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2e9i s ARG 15 N -1.79 1.53 -0.13 -0.78 0.52 -1.26 -5.14 118.95 111.90 2e9i s ARG 15 Ca 0.38 -1.71 -0.05 0.00 -0.52 0.00 0.00 55.73 53.83 2e9i s ARG 15 Cb 0.28 -1.45 -0.04 0.00 0.52 0.00 0.00 34.95 34.26 2e9i s ARG 15 CO -0.05 0.24 0.06 0.99 0.02 0.00 0.00 175.30 176.56 2e9i s THR 16 N -2.75 4.81 -0.07 0.02 2.01 -1.26 -5.01 115.64 113.40 2e9i s THR 16 Ca 0.27 -0.05 -0.08 0.00 0.31 0.00 0.00 61.69 62.14 2e9i s THR 16 Cb -0.02 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 2e9i s THR 16 CO 0.11 0.55 -0.17 -1.20 -0.69 0.00 0.00 174.62 173.22 2e9i n SER 17 N 2.67 1.34 -4.14 3.53 7.64 -1.26 -5.02 113.62 118.38 2e9i n SER 17 Ca -0.18 0.21 -0.35 0.00 1.01 0.00 0.00 58.87 59.56 2e9i n SER 17 Cb 0.53 -0.49 -0.04 0.00 -1.01 0.00 0.00 64.21 63.20 2e9i n SER 17 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2e9i n ARG 18 N -3.86 -1.11 -3.88 1.43 1.74 -1.26 -4.95 116.66 104.77 2e9i n ARG 18 Ca -0.13 0.16 -0.11 0.00 -0.77 0.00 0.00 57.85 57.00 2e9i n ARG 18 Cb 0.38 -3.43 -0.11 0.00 -1.02 0.00 0.00 32.46 28.28 2e9i n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2e9i s ALA 19 N -3.99 -0.23 1.00 7.54 0.00 -1.26 -5.17 121.76 119.65 2e9i s ALA 19 Ca 0.19 -0.11 -0.12 0.00 0.00 0.00 0.00 51.96 51.91 2e9i s ALA 19 Cb -0.10 0.04 0.19 0.00 0.00 0.00 0.00 23.12 23.25 2e9i s ALA 19 CO 0.96 -0.16 1.09 -1.25 0.00 0.00 0.00 175.76 176.41 2e9i s PRO 20 N -1.05 0.45 -0.30 0.00 0.04 -1.26 -5.08 135.00 127.80 2e9i s PRO 20 Ca -0.11 0.54 -0.17 0.00 0.04 0.00 0.00 61.00 61.29 2e9i s PRO 20 Cb -0.06 -1.74 0.18 0.00 0.04 0.00 0.00 34.50 32.92 2e9i s PRO 20 CO 0.01 -2.73 1.13 -1.54 0.04 0.00 0.00 177.00 173.91 2e9i s SER 21 N -3.44 -0.34 0.94 6.66 1.04 -1.26 -5.18 113.70 112.12 2e9i s SER 21 Ca 0.65 0.47 -0.13 0.00 0.48 0.00 0.00 55.95 57.42 2e9i s SER 21 Cb -0.19 1.37 0.21 0.00 0.10 0.00 0.00 66.02 67.51 2e9i s SER 21 CO 0.58 -0.07 1.27 1.33 0.98 0.00 0.00 173.24 177.33 2e9i n VAL 22 N 4.67 0.00 -3.36 5.02 0.24 -1.26 -5.06 118.33 118.58 2e9i n VAL 22 Ca -0.09 -1.15 -0.37 0.00 -2.04 0.00 0.00 64.34 60.70 2e9i n VAL 22 Cb 0.54 -1.35 -0.06 0.00 -1.47 0.00 0.00 33.84 31.50 2e9i n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2e9i s ALA 23 N -3.78 3.61 0.09 2.33 0.00 -1.26 -5.07 121.76 117.67 2e9i s ALA 23 Ca 0.75 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.67 2e9i s ALA 23 Cb -0.02 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 2e9i s ALA 23 CO 0.52 0.44 -0.03 0.99 0.00 0.00 0.00 175.76 177.67 2e9i s THR 24 N -1.26 3.80 -0.25 0.00 2.01 -1.26 -2.99 115.64 115.68 2e9i s THR 24 Ca 0.32 -1.06 -0.10 0.00 0.31 0.00 0.00 61.69 61.16 2e9i s THR 24 Cb -0.17 -2.79 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 2e9i s THR 24 CO 0.18 0.13 0.15 0.54 -0.69 0.00 0.00 174.62 174.94 2e9i s VAL 25 N -1.26 5.19 0.00 3.82 0.11 -1.22 -4.32 120.40 122.72 2e9i s VAL 25 Ca 0.24 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 2e9i s VAL 25 Cb -0.11 -3.44 0.00 0.00 -1.53 0.00 0.00 36.38 31.30 2e9i s VAL 25 CO 0.16 0.32 0.00 0.61 -3.33 0.00 0.00 175.10 172.86 2e9i n GLY 26 N 4.59 1.47 3.39 6.54 0.00 -1.26 -4.75 105.19 115.17 2e9i n GLY 26 Ca -0.15 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 2e9i n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e9i s SER 27 N -2.13 -0.60 -0.38 1.61 0.01 -1.26 -5.10 113.70 105.86 2e9i s SER 27 Ca 0.00 1.05 -0.27 0.00 1.31 0.00 0.00 55.95 58.04 2e9i s SER 27 Cb 0.00 0.98 -0.06 0.00 0.21 0.00 0.00 66.02 67.15 2e9i s SER 27 CO 0.00 -0.20 2.31 -0.63 0.41 0.00 0.00 173.24 175.13 2e9i s ILE 28 N 1.04 3.02 -0.12 1.44 1.01 -1.26 -4.41 121.20 121.93 2e9i s ILE 28 Ca -0.06 0.02 -0.17 0.00 0.00 0.00 0.00 60.65 60.44 2e9i s ILE 28 Cb -0.06 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 2e9i s ILE 28 CO -0.09 -0.04 0.43 0.00 0.00 0.00 0.00 174.94 175.24 2e9i s ASP 30 N 0.46 6.50 -0.62 0.00 1.01 -1.26 -3.43 116.67 119.33 2e9i s ASP 30 Ca 0.24 0.18 -0.21 0.00 0.71 0.00 0.00 52.55 53.46 2e9i s ASP 30 Cb -0.15 -2.52 0.09 0.00 1.01 0.00 0.00 42.92 41.35 2e9i s ASP 30 CO 0.09 -1.32 0.82 -0.22 0.21 0.00 0.00 175.17 174.75 2e9i s LEU 31 N 4.51 4.93 -0.15 1.23 2.96 0.61 -4.92 118.68 127.86 2e9i s LEU 31 Ca 0.42 -1.23 -0.28 0.00 -0.22 0.00 0.00 54.13 52.83 2e9i s LEU 31 Cb -0.08 -2.36 -0.01 0.00 0.50 0.00 0.00 46.19 44.24 2e9i s LEU 31 CO 0.27 -1.26 0.93 0.20 -1.32 0.00 0.00 176.35 175.17 2e9i s ASN 32 N 3.65 7.11 0.08 3.68 0.01 -1.26 -2.17 114.94 126.03 2e9i s ASN 32 Ca 0.16 1.36 0.05 0.00 -0.71 0.00 0.00 52.86 53.73 2e9i s ASN 32 Cb -0.21 -2.51 -0.03 0.00 0.41 0.00 0.00 41.25 38.91 2e9i s ASN 32 CO 0.08 -0.45 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.31 2e9i s LEU 33 N 2.19 2.28 -0.35 0.60 1.43 -1.19 -5.05 118.68 118.59 2e9i s LEU 33 Ca 0.43 -0.63 -0.17 0.00 -1.03 0.00 0.00 54.13 52.74 2e9i s LEU 33 Cb -0.17 -0.55 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 2e9i s LEU 33 CO 0.14 -0.06 0.44 -1.59 0.23 0.00 0.00 176.35 175.51 2e9i s LYS 34 N -1.78 3.55 -0.01 1.70 -2.85 -1.26 -3.97 119.74 115.13 2e9i s LYS 34 Ca -0.01 -0.32 0.02 0.00 -1.00 0.00 0.00 55.97 54.67 2e9i s LYS 34 Cb -0.10 -3.82 -0.00 0.00 -2.06 0.00 0.00 37.83 31.85 2e9i s LYS 34 CO 0.02 -0.61 -0.08 0.42 0.10 0.00 0.00 175.35 175.21 2e9i s ILE 35 N 2.21 0.64 0.00 3.79 1.01 -1.26 -5.07 121.20 122.53 2e9i s ILE 35 Ca 0.15 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.48 2e9i s ILE 35 Cb -0.16 -0.55 0.00 0.00 0.01 0.00 0.00 42.46 41.76 2e9i s ILE 35 CO 0.13 0.19 0.00 -0.81 0.00 0.00 0.00 174.94 174.44 2e9i n PRO 36 N 3.03 -0.15 0.16 2.79 -0.04 -1.26 -3.98 135.00 135.55 2e9i n PRO 36 Ca -0.15 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.45 2e9i n PRO 36 Cb 0.56 0.00 0.44 0.00 -0.04 0.00 0.00 33.50 34.46 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 -4.71 0.54 5.08 -1.98 -3.43 114.58 110.08 2e9i h GLU 37 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 2e9i h GLU 37 Cb 0.00 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.31 2e9i h GLU 37 CO 0.00 0.00 -0.12 -0.89 -1.00 0.00 0.00 179.01 177.00 2e9i n ILE 38 N -2.98 0.58 -2.44 3.13 5.41 -1.26 -4.94 119.36 116.85 2e9i n ILE 38 Ca 0.06 -0.14 -0.24 0.00 1.00 0.00 0.00 62.75 63.43 2e9i n ILE 38 Cb 0.91 0.00 0.13 0.00 -0.71 0.00 0.00 39.64 39.97 2e9i n ILE 38 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2e9i n ASN 39 N 1.32 1.04 -0.12 4.38 4.13 -1.26 -4.99 115.26 119.76 2e9i n ASN 39 Ca 0.15 -1.96 -0.22 0.00 1.68 0.00 0.00 54.58 54.22 2e9i n ASN 39 Cb 0.11 -0.71 -0.11 0.00 -1.54 0.00 0.00 39.78 37.53 2e9i n ASN 39 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2e9i n SER 40 N -3.11 1.98 -0.04 6.41 2.88 -1.26 -3.62 113.62 116.85 2e9i n SER 40 Ca 0.16 0.06 0.22 0.00 -1.33 0.00 0.00 58.87 57.98 2e9i n SER 40 Cb 0.57 -0.60 0.48 0.00 -0.75 0.00 0.00 64.21 63.91 2e9i n SER 40 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2e9i h SER 41 N -0.37 0.00 0.03 -3.46 0.02 -1.99 0.76 113.55 108.54 2e9i h SER 41 Ca -0.61 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 59.97 2e9i h SER 41 Cb 1.79 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 64.27 2e9i h SER 41 CO -0.20 0.00 -2.38 0.47 -1.14 0.00 0.00 176.83 173.58 2e9i n ASP 42 N -3.23 1.09 -4.87 3.07 9.92 -1.26 -4.98 116.55 116.30 2e9i n ASP 42 Ca 0.15 -0.03 -0.31 0.00 -0.53 0.00 0.00 54.79 54.07 2e9i n ASP 42 Cb 1.18 0.18 0.01 0.00 -0.64 0.00 0.00 41.12 41.86 2e9i n ASP 42 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 2e9i s MET 43 N -2.51 3.55 0.14 -1.24 -1.94 0.26 -4.10 119.30 113.45 2e9i s MET 43 Ca -0.22 0.74 0.01 0.00 -1.71 0.00 0.00 55.69 54.51 2e9i s MET 43 Cb 0.08 -2.07 -0.04 0.00 2.01 0.00 0.00 34.83 34.80 2e9i s MET 43 CO 0.72 -0.61 -0.01 0.45 -0.01 0.00 0.00 175.02 175.56 2e9i s SER 44 N -4.17 1.00 -0.17 3.03 0.15 -1.08 -4.85 113.70 107.60 2e9i s SER 44 Ca 0.55 -1.12 -0.07 0.00 0.70 0.00 0.00 55.95 56.02 2e9i s SER 44 Cb -0.11 0.14 0.07 0.00 -1.71 0.00 0.00 66.02 64.42 2e9i s SER 44 CO 0.54 -0.56 0.37 0.00 1.20 0.00 0.00 173.24 174.79 2e9i s ALA 45 N -3.73 -0.96 -0.06 5.45 0.00 -1.26 -3.63 121.76 117.57 2e9i s ALA 45 Ca 0.19 1.36 -0.02 0.00 0.00 0.00 0.00 51.96 53.49 2e9i s ALA 45 Cb 0.06 -1.10 0.04 0.00 0.00 0.00 0.00 23.12 22.12 2e9i s ALA 45 CO 0.00 -0.55 0.12 -1.01 0.00 0.00 0.00 175.76 174.32 2e9i s HIS 46 N 2.12 -0.11 -0.35 0.00 3.76 -1.05 -1.16 115.29 118.50 2e9i s HIS 46 Ca -0.04 0.41 -0.22 0.00 -0.15 0.00 0.00 55.06 55.07 2e9i s HIS 46 Cb -0.11 -0.18 0.00 0.00 1.11 0.00 0.00 32.58 33.41 2e9i s HIS 46 CO -0.12 -0.17 0.70 0.08 -0.85 0.00 0.00 174.74 174.38 2e9i s VAL 47 N 1.42 4.83 0.26 -0.90 1.01 -0.70 -0.67 120.40 125.65 2e9i s VAL 47 Ca -0.06 0.74 -0.11 0.00 0.00 0.00 0.00 61.98 62.55 2e9i s VAL 47 Cb -0.12 -4.12 -0.08 0.00 0.00 0.00 0.00 36.38 32.06 2e9i s VAL 47 CO -0.05 -0.35 0.60 -0.89 0.00 0.00 0.00 175.10 174.42 2e9i s THR 48 N 2.86 4.86 0.17 3.92 2.01 0.23 -0.73 115.64 128.96 2e9i s THR 48 Ca 0.27 0.61 0.06 0.00 0.31 0.00 0.00 61.69 62.94 2e9i s THR 48 Cb -0.14 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2e9i s THR 48 CO 0.15 -0.11 0.11 -0.94 -0.69 0.00 0.00 174.62 173.14 2e9i s SER 49 N -2.35 5.35 0.00 3.53 1.04 0.18 -2.47 113.70 118.99 2e9i s SER 49 Ca 0.49 -0.20 0.15 0.00 0.48 0.00 0.00 55.95 56.87 2e9i s SER 49 Cb -0.11 -1.34 0.69 0.00 0.10 0.00 0.00 66.02 65.35 2e9i s SER 49 CO 0.20 0.07 1.43 -0.81 0.98 0.00 0.00 173.24 175.11 2e9i n PRO 50 N -0.34 0.12 -0.06 4.02 -0.04 -1.24 -2.49 135.00 134.97 2e9i n PRO 50 Ca -0.09 0.19 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 2e9i n PRO 50 Cb 0.55 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.38 0.77 0.00 3.54 3.41 -1.26 -4.98 113.62 113.72 2e9i n SER 51 Ca 0.05 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 2e9i n SER 51 Cb 0.14 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 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 1.74 1.15 3.66 5.00 0.00 -1.04 -5.15 105.19 110.56 2e9i n GLY 52 Ca -0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 2.65 0.02 1.61 0.52 -1.26 -4.93 118.95 117.57 2e9i s ARG 53 Ca 0.00 -0.71 0.08 0.00 -0.52 0.00 0.00 55.73 54.58 2e9i s ARG 53 Cb 0.00 -2.59 -0.03 0.00 0.52 0.00 0.00 34.95 32.85 2e9i s ARG 53 CO 0.00 0.59 -0.24 0.08 0.02 0.00 0.00 175.30 175.75 2e9i s VAL 54 N -1.14 2.28 0.27 3.52 1.01 -1.26 0.51 120.40 125.59 2e9i s VAL 54 Ca 0.21 -1.24 0.06 0.00 0.00 0.00 0.00 61.98 61.01 2e9i s VAL 54 Cb -0.11 -1.88 -0.06 0.00 0.00 0.00 0.00 36.38 34.33 2e9i s VAL 54 CO 0.12 0.43 -0.06 -0.89 0.00 0.00 0.00 175.10 174.70 2e9i s THR 55 N -0.77 1.59 -0.09 3.92 2.01 0.09 -4.96 115.64 117.43 2e9i s THR 55 Ca 0.12 -2.12 -0.01 0.00 0.31 0.00 0.00 61.69 59.98 2e9i s THR 55 Cb -0.10 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 2e9i s THR 55 CO 0.02 -0.33 -0.03 -0.70 -0.69 0.00 0.00 174.62 172.88 2e9i s GLU 56 N -3.73 3.05 0.26 4.92 2.12 -1.26 -1.71 118.70 122.34 2e9i s GLU 56 Ca 0.29 -0.49 0.09 0.00 0.36 0.00 0.00 54.97 55.22 2e9i s GLU 56 Cb 0.03 -2.74 -0.04 0.00 0.26 0.00 0.00 34.13 31.64 2e9i s GLU 56 CO 0.11 0.58 -0.01 0.00 -0.54 0.00 0.00 175.26 175.40 2e9i s ALA 57 N -0.57 3.16 -0.10 6.30 0.00 -0.31 -4.86 121.76 125.38 2e9i s ALA 57 Ca 0.09 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.42 2e9i s ALA 57 Cb -0.12 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 2e9i s ALA 57 CO 0.02 0.28 -0.10 -2.00 0.00 0.00 0.00 175.76 173.96 2e9i s GLU 58 N -3.61 3.09 -0.24 0.00 2.12 -1.26 -4.68 118.70 114.11 2e9i s GLU 58 Ca 0.31 -0.62 -0.10 0.00 0.36 0.00 0.00 54.97 54.92 2e9i s GLU 58 Cb -0.07 -2.62 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 2e9i s GLU 58 CO 0.20 0.42 0.14 0.42 -0.54 0.00 0.00 175.26 175.89 2e9i s ILE 59 N -0.17 5.04 -0.14 -3.70 1.01 -1.26 -3.39 121.20 118.59 2e9i s ILE 59 Ca 0.01 0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.66 2e9i s ILE 59 Cb -0.13 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 2e9i s ILE 59 CO 0.03 0.33 0.10 -0.69 0.00 0.00 0.00 174.94 174.72 2e9i s VAL 60 N 1.28 5.18 -1.03 2.92 1.01 0.18 -4.96 120.40 124.98 2e9i s VAL 60 Ca 0.06 0.09 -0.24 0.00 0.00 0.00 0.00 61.98 61.90 2e9i s VAL 60 Cb -0.14 -3.28 -0.07 0.00 0.00 0.00 0.00 36.38 32.89 2e9i s VAL 60 CO 0.06 0.55 1.94 -2.16 0.00 0.00 0.00 175.10 175.49 2e9i s PRO 61 N -0.49 2.52 0.03 2.72 0.04 -1.26 -2.39 135.00 136.18 2e9i s PRO 61 Ca 0.11 -0.67 -0.15 0.00 0.04 0.00 0.00 61.00 60.33 2e9i s PRO 61 Cb -0.12 -5.14 -0.07 0.00 0.04 0.00 0.00 34.50 29.21 2e9i s PRO 61 CO 0.02 -3.65 1.23 0.52 0.04 0.00 0.00 177.00 175.16 2e9i h MET 62 N 10.61 -0.42 0.00 4.56 2.86 -1.90 -3.49 114.93 127.14 2e9i h MET 62 Ca 0.15 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2e9i h MET 62 Cb 0.98 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.73 2e9i h MET 62 CO 1.22 -0.28 0.00 0.41 1.06 0.00 0.00 176.91 179.31 2e9i n GLY 63 N -1.24 -0.88 3.57 8.32 0.00 -1.24 -4.98 105.19 108.74 2e9i n GLY 63 Ca -0.05 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2e9i n GLY 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2e9i n LYS 64 N 0.00 1.64 -4.10 1.61 4.81 -1.26 -2.36 118.16 118.50 2e9i n LYS 64 Ca 0.00 0.38 -0.31 0.00 -0.87 0.00 0.00 58.31 57.51 2e9i n LYS 64 Cb 0.00 -3.19 -0.03 0.00 0.02 0.00 0.00 35.03 31.84 2e9i n LYS 64 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2e9i n ASN 65 N 12.47 -1.82 -4.14 3.14 4.13 -1.26 -4.95 115.26 122.82 2e9i n ASN 65 Ca 0.33 -1.01 -0.17 0.00 1.68 0.00 0.00 54.58 55.40 2e9i n ASN 65 Cb 0.44 -2.87 -0.12 0.00 -1.54 0.00 0.00 39.78 35.69 2e9i n ASN 65 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2e9i s SER 66 N -3.83 1.49 -0.15 6.41 0.01 -0.99 -3.99 113.70 112.65 2e9i s SER 66 Ca 0.37 -0.57 -0.13 0.00 1.31 0.00 0.00 55.95 56.93 2e9i s SER 66 Cb -0.20 -0.04 0.04 0.00 0.21 0.00 0.00 66.02 66.03 2e9i s SER 66 CO 0.91 -0.09 0.40 -1.00 0.41 0.00 0.00 173.24 173.88 2e9i s HIS 67 N -1.22 -0.48 -0.02 2.43 3.76 -1.25 -3.25 115.29 115.26 2e9i s HIS 67 Ca -0.03 1.12 0.06 0.00 -0.15 0.00 0.00 55.06 56.06 2e9i s HIS 67 Cb -0.10 0.18 -0.01 0.00 1.11 0.00 0.00 32.58 33.76 2e9i s HIS 67 CO 0.02 -0.24 -0.20 0.00 -0.85 0.00 0.00 174.74 173.47 2e9i s VAL 69 N -0.45 2.45 -0.22 0.00 1.01 -0.92 -0.65 120.40 121.62 2e9i s VAL 69 Ca 0.07 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 2e9i s VAL 69 Cb -0.08 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 2e9i s VAL 69 CO -0.01 0.51 -0.04 0.00 0.00 0.00 0.00 175.10 175.56 2e9i s ARG 70 N 1.30 3.40 0.25 2.72 1.70 -1.22 -0.28 118.95 126.82 2e9i s ARG 70 Ca 0.04 -0.61 -0.20 0.00 -0.47 0.00 0.00 55.73 54.49 2e9i s ARG 70 Cb -0.14 -3.02 0.02 0.00 -0.57 0.00 0.00 34.95 31.25 2e9i s ARG 70 CO -0.09 -0.18 0.65 -0.59 -1.08 0.00 0.00 175.30 174.00 2e9i s PHE 71 N 1.45 -0.16 -0.66 5.89 -0.12 -1.22 -4.29 117.98 118.87 2e9i s PHE 71 Ca 0.05 -0.24 -0.11 0.00 -0.05 0.00 0.00 56.93 56.58 2e9i s PHE 71 Cb -0.14 0.58 0.17 0.00 -0.63 0.00 0.00 43.02 43.00 2e9i s PHE 71 CO -0.03 -1.12 0.57 0.08 -0.05 0.00 0.00 175.22 174.67 2e9i s VAL 72 N -3.90 4.88 -1.15 -2.49 1.01 -1.26 -0.94 120.40 116.54 2e9i s VAL 72 Ca 0.11 -2.24 -0.23 0.00 0.00 0.00 0.00 61.98 59.62 2e9i s VAL 72 Cb -0.04 -4.10 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 2e9i s VAL 72 CO 0.03 -0.92 1.94 -2.16 0.00 0.00 0.00 175.10 173.99 2e9i s PRO 73 N 0.64 2.50 -0.24 2.72 0.04 -1.26 -4.87 135.00 134.53 2e9i s PRO 73 Ca 0.12 -1.06 0.02 0.00 0.04 0.00 0.00 61.00 60.12 2e9i s PRO 73 Cb -0.19 -5.22 0.05 0.00 0.04 0.00 0.00 34.50 29.17 2e9i s PRO 73 CO -0.04 -3.92 -0.12 1.14 0.04 0.00 0.00 177.00 174.10 2e9i s GLN 74 N 6.54 2.49 0.31 4.56 -2.07 -1.26 -4.45 119.66 125.78 2e9i s GLN 74 Ca 0.69 -1.18 0.04 0.00 -1.82 0.00 0.00 55.36 53.08 2e9i s GLN 74 Cb -0.01 -2.83 -0.01 0.00 -1.09 0.00 0.00 33.01 29.06 2e9i s GLN 74 CO 0.12 -0.47 0.33 0.39 -1.32 0.00 0.00 175.29 174.34 2e9i n GLU 75 N 4.51 0.48 -0.59 9.60 -0.58 -1.26 -5.04 120.64 127.76 2e9i n GLU 75 Ca -0.16 -2.86 0.09 0.00 -0.42 0.00 0.00 57.16 53.81 2e9i n GLU 75 Cb 0.45 2.49 0.34 0.00 -0.57 0.00 0.00 31.44 34.15 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 -0.56 3.59 0.00 3.49 2.81 -1.26 -4.96 117.12 120.23 2e9i n MET 76 Ca 0.05 -2.71 0.00 0.00 -1.81 0.00 0.00 57.70 53.23 2e9i n MET 76 Cb 0.55 -1.87 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 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 1.11 1.67 3.73 3.03 0.00 -1.26 -5.03 105.19 108.45 2e9i n GLY 77 Ca 0.24 0.21 -0.40 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 1.56 4.89 -0.15 1.61 0.11 -1.26 -4.61 120.40 122.54 2e9i s VAL 78 Ca 0.00 1.52 -0.17 0.00 -2.93 0.00 0.00 61.98 60.41 2e9i s VAL 78 Cb 0.00 -4.07 -0.04 0.00 -1.53 0.00 0.00 36.38 30.74 2e9i s VAL 78 CO 0.00 0.31 0.42 -1.00 -3.33 0.00 0.00 175.10 171.50 2e9i s HIS 79 N 0.33 3.46 0.01 1.54 0.09 -1.12 -3.67 115.29 115.93 2e9i s HIS 79 Ca 0.38 0.74 0.07 0.00 -0.00 0.00 0.00 55.06 56.25 2e9i s HIS 79 Cb -0.19 -2.50 -0.02 0.00 -0.00 0.00 0.00 32.58 29.87 2e9i s HIS 79 CO 0.20 0.12 -0.21 0.99 -0.00 0.00 0.00 174.74 175.84 2e9i s THR 80 N 0.82 1.70 -0.08 1.30 2.01 -1.03 -1.94 115.64 118.42 2e9i s THR 80 Ca 0.22 -1.05 0.03 0.00 0.31 0.00 0.00 61.69 61.20 2e9i s THR 80 Cb -0.14 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 2e9i s THR 80 CO 0.08 0.36 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.52 2e9i s VAL 81 N -0.63 2.82 -0.36 3.82 1.01 0.75 0.77 120.40 128.56 2e9i s VAL 81 Ca 0.08 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 2e9i s VAL 81 Cb -0.08 -2.12 0.08 0.00 0.00 0.00 0.00 36.38 34.26 2e9i s VAL 81 CO 0.00 0.56 0.13 -0.44 0.00 0.00 0.00 175.10 175.36 2e9i s SER 82 N -0.23 5.18 -0.31 3.32 0.01 0.15 -0.57 113.70 121.25 2e9i s SER 82 Ca 0.00 -1.61 -0.01 0.00 1.31 0.00 0.00 55.95 55.64 2e9i s SER 82 Cb -0.13 -1.81 0.06 0.00 0.21 0.00 0.00 66.02 64.34 2e9i s SER 82 CO 0.03 -0.42 0.01 -0.69 0.41 0.00 0.00 173.24 172.58 2e9i s VAL 83 N 1.24 2.94 0.25 3.43 1.01 -1.26 -2.53 120.40 125.48 2e9i s VAL 83 Ca 0.02 -1.50 0.10 0.00 0.00 0.00 0.00 61.98 60.60 2e9i s VAL 83 Cb -0.21 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 2e9i s VAL 83 CO -0.02 -0.18 -0.08 -0.54 0.00 0.00 0.00 175.10 174.29 2e9i s LYS 84 N 1.22 2.06 -0.38 2.72 1.02 -1.24 -2.53 119.74 122.61 2e9i s LYS 84 Ca -0.04 -1.50 0.01 0.00 0.02 0.00 0.00 55.97 54.47 2e9i s LYS 84 Cb -0.20 -2.04 0.12 0.00 -0.52 0.00 0.00 37.83 35.19 2e9i s LYS 84 CO -0.02 0.37 0.16 -0.47 -0.92 0.00 0.00 175.35 174.47 2e9i s TYR 85 N -2.26 2.14 -1.23 3.18 5.04 0.71 -2.64 117.35 122.30 2e9i s TYR 85 Ca 0.30 -2.26 -0.08 0.00 -2.44 0.00 0.00 57.07 52.58 2e9i s TYR 85 Cb -0.06 -1.99 0.01 0.00 0.35 0.00 0.00 41.96 40.27 2e9i s TYR 85 CO 0.17 -0.84 1.02 0.54 -1.34 0.00 0.00 175.55 175.11 2e9i n ARG 86 N 4.11 -6.93 -1.70 4.97 1.74 -1.26 -3.49 116.66 114.11 2e9i n ARG 86 Ca 0.04 0.75 0.00 0.00 -0.77 0.00 0.00 57.85 57.87 2e9i n ARG 86 Cb 0.38 -5.53 0.00 0.00 -1.02 0.00 0.00 32.46 26.30 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 -1.82 0.51 3.46 -0.13 0.00 -1.26 -5.08 105.19 100.85 2e9i n GLY 87 Ca -0.00 -0.41 0.01 0.00 0.00 0.00 0.00 46.02 45.62 2e9i n GLY 87 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2e9i s GLN 88 N -3.33 0.39 -0.20 1.61 -2.07 -1.23 -5.12 119.66 109.71 2e9i s GLN 88 Ca 0.00 0.96 -0.29 0.00 -1.82 0.00 0.00 55.36 54.21 2e9i s GLN 88 Cb 0.00 0.58 -0.03 0.00 -1.09 0.00 0.00 33.01 32.46 2e9i s GLN 88 CO 0.00 -0.16 1.69 -1.01 -1.32 0.00 0.00 175.29 174.49 2e9i s HIS 89 N 2.64 1.97 1.24 9.60 3.76 -1.26 -0.21 115.29 133.03 2e9i s HIS 89 Ca -0.02 0.47 -0.19 0.00 -0.15 0.00 0.00 55.06 55.17 2e9i s HIS 89 Cb -0.09 -4.00 0.29 0.00 1.11 0.00 0.00 32.58 29.89 2e9i s HIS 89 CO -0.18 -3.21 0.66 1.33 -0.85 0.00 0.00 174.74 172.48 2e9i n VAL 90 N 6.47 0.00 -2.22 -0.90 0.24 -1.05 -4.77 118.33 116.11 2e9i n VAL 90 Ca 0.20 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.07 2e9i n VAL 90 Cb 0.45 -0.75 -0.02 0.00 -1.47 0.00 0.00 33.84 32.05 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 -2.08 3.94 0.00 3.34 2.01 -1.26 -2.43 115.64 119.16 2e9i s THR 91 Ca 0.51 1.14 0.00 0.00 0.31 0.00 0.00 61.69 63.64 2e9i s THR 91 Cb -0.09 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.69 2e9i s THR 91 CO 0.43 -0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 2e9i n GLY 92 N 3.86 0.82 3.66 4.40 0.00 -1.26 -5.07 105.19 111.59 2e9i n GLY 92 Ca 0.15 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.03 5.01 1.02 1.61 0.15 -1.02 -3.59 113.70 114.86 2e9i s SER 93 Ca 0.00 0.01 -0.13 0.00 0.70 0.00 0.00 55.95 56.53 2e9i s SER 93 Cb 0.00 -1.31 0.20 0.00 -1.71 0.00 0.00 66.02 63.20 2e9i s SER 93 CO 0.00 0.32 1.09 -2.16 1.20 0.00 0.00 173.24 173.69 2e9i s PRO 94 N -1.26 0.23 -0.23 5.44 0.04 -1.26 -4.79 135.00 133.17 2e9i s PRO 94 Ca 0.17 0.45 -0.05 0.00 0.04 0.00 0.00 61.00 61.61 2e9i s PRO 94 Cb -0.11 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 2e9i s PRO 94 CO 0.07 -2.85 -0.01 -0.06 0.04 0.00 0.00 177.00 174.18 2e9i s PHE 95 N -2.97 2.99 -0.16 0.56 0.08 0.26 -4.94 117.98 113.80 2e9i s PHE 95 Ca 0.66 -0.79 -0.03 0.00 0.12 0.00 0.00 56.93 56.89 2e9i s PHE 95 Cb -0.18 -2.14 -0.02 0.00 -0.57 0.00 0.00 43.02 40.11 2e9i s PHE 95 CO 0.58 -0.49 -0.05 -0.65 -0.10 0.00 0.00 175.22 174.50 2e9i s GLN 96 N 1.50 3.57 -0.07 0.44 -0.21 -1.26 -0.18 119.66 123.44 2e9i s GLN 96 Ca 0.06 -0.57 -0.06 0.00 0.02 0.00 0.00 55.36 54.81 2e9i s GLN 96 Cb -0.14 -2.89 0.03 0.00 1.00 0.00 0.00 33.01 31.00 2e9i s GLN 96 CO -0.01 0.15 0.19 -0.59 -2.12 0.00 0.00 175.29 172.91 2e9i s PHE 97 N 0.59 -0.22 0.12 0.91 -0.71 -0.82 -5.04 117.98 112.81 2e9i s PHE 97 Ca -0.04 0.54 -0.23 0.00 -1.04 0.00 0.00 56.93 56.17 2e9i s PHE 97 Cb -0.15 0.05 -0.07 0.00 -1.21 0.00 0.00 43.02 41.64 2e9i s PHE 97 CO 0.03 -0.13 0.68 0.99 -1.34 0.00 0.00 175.22 175.45 2e9i s THR 98 N 0.41 4.54 0.25 -4.49 2.01 -1.26 -2.79 115.64 114.31 2e9i s THR 98 Ca -0.03 1.48 0.11 0.00 0.31 0.00 0.00 61.69 63.56 2e9i s THR 98 Cb -0.04 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 2e9i s THR 98 CO -0.02 0.54 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.64 2e9i s VAL 99 N -1.11 2.92 0.07 3.82 1.01 -1.26 -4.44 120.40 121.41 2e9i s VAL 99 Ca 0.33 -2.09 0.03 0.00 0.00 0.00 0.00 61.98 60.25 2e9i s VAL 99 Cb -0.21 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 2e9i s VAL 99 CO 0.23 -0.32 -0.09 -0.83 0.00 0.00 0.00 175.10 174.09 2e9i s GLY 100 N -3.39 0.67 0.66 4.51 0.00 -1.16 -5.03 107.32 103.58 2e9i s GLY 100 Ca 0.29 -1.01 -0.15 0.00 0.00 0.00 0.00 44.72 43.85 2e9i s GLY 100 CO 0.16 -1.07 1.11 2.56 0.00 0.00 0.00 173.10 175.86 2e9i s PRO 101 N -2.35 2.80 0.51 2.90 0.04 -1.26 -3.46 135.00 134.18 2e9i s PRO 101 Ca -0.01 1.39 -0.18 0.00 0.04 0.00 0.00 61.00 62.24 2e9i s PRO 101 Cb -0.05 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 2e9i s PRO 101 CO -0.01 -1.25 1.01 -1.17 0.04 0.00 0.00 177.00 175.62 2e9i s LEU 102 N -4.86 3.69 0.00 -3.56 2.96 -1.26 -4.95 118.68 110.69 2e9i s LEU 102 Ca 0.67 1.72 0.00 0.00 -0.22 0.00 0.00 54.13 56.31 2e9i s LEU 102 Cb -0.21 -4.53 -0.00 0.00 0.50 0.00 0.00 46.19 41.95 2e9i s LEU 102 CO 0.41 -0.73 0.01 0.61 -1.32 0.00 0.00 176.35 175.34 2e9i n GLY 103 N -0.99 4.03 2.94 7.98 0.00 -1.26 -5.15 105.19 112.74 2e9i n GLY 103 Ca 0.08 -2.02 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 2e9i n GLY 103 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2e9i s GLU 104 N -2.21 1.76 0.39 1.61 2.56 -1.26 -5.12 118.70 116.43 2e9i s GLU 104 Ca 0.02 -0.45 -0.25 0.00 0.00 0.00 0.00 54.97 54.29 2e9i s GLU 104 Cb 0.00 -1.90 -0.09 0.00 2.00 0.00 0.00 34.13 34.14 2e9i s GLU 104 CO 0.01 -0.31 1.10 0.20 -0.56 0.00 0.00 175.26 175.70 2e9i s GLY 105 N 1.60 2.82 0.00 -1.50 0.00 -1.26 -5.37 107.32 103.61 2e9i s GLY 105 Ca 0.03 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.58 2e9i s GLY 105 CO -0.09 1.30 0.00 0.61 0.00 0.00 0.00 173.10 174.92