#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 3.77 -0.04 1.61 0.01 -1.26 -5.11 113.70 112.67 2e9i s SER 2 Ca 0.00 -0.31 -0.29 0.00 1.31 0.00 0.00 55.95 56.66 2e9i s SER 2 Cb 0.00 -0.99 0.11 0.00 0.21 0.00 0.00 66.02 65.34 2e9i s SER 2 CO 0.00 0.28 0.89 -0.55 0.41 0.00 0.00 173.24 174.27 2e9i s SER 3 N -0.35 -0.39 -0.47 2.44 0.15 -1.26 -5.11 113.70 108.71 2e9i s SER 3 Ca 0.03 0.15 0.06 0.00 0.70 0.00 0.00 55.95 56.89 2e9i s SER 3 Cb -0.12 0.38 0.24 0.00 -1.71 0.00 0.00 66.02 64.81 2e9i s SER 3 CO 0.02 -0.56 0.81 0.61 1.20 0.00 0.00 173.24 175.32 2e9i n GLY 4 N 0.06 0.70 3.99 9.45 0.00 -1.26 -5.15 105.19 112.99 2e9i n GLY 4 Ca -0.10 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.58 5.53 0.00 1.61 0.01 -1.26 -5.05 113.70 112.96 2e9i s SER 5 Ca 0.33 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.39 2e9i s SER 5 Cb 0.22 -0.83 0.00 0.00 0.21 0.00 0.00 66.02 65.61 2e9i s SER 5 CO -0.21 -0.90 0.00 -0.24 0.41 0.00 0.00 173.24 172.30 2e9i n SER 6 N -2.05 1.01 0.00 2.44 2.88 -1.26 -5.11 113.62 111.53 2e9i n SER 6 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2e9i n SER 6 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 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 2.78 0.79 3.81 0.46 0.00 -1.26 -5.14 105.19 106.63 2e9i n GLY 7 Ca 0.00 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.66 2.61 -0.26 1.61 3.00 -1.26 -5.12 118.95 117.87 2e9i s ARG 8 Ca 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 55.73 54.35 2e9i s ARG 8 Cb 0.00 -2.37 0.08 0.00 0.00 0.00 0.00 34.95 32.66 2e9i s ARG 8 CO 0.00 0.12 0.05 0.08 0.00 0.00 0.00 175.30 175.54 2e9i s VAL 9 N -2.34 0.96 -0.64 3.52 1.01 -1.26 -5.00 120.40 116.65 2e9i s VAL 9 Ca 0.39 -1.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 2e9i s VAL 9 Cb -0.05 -1.54 0.43 0.00 0.00 0.00 0.00 36.38 35.22 2e9i s VAL 9 CO 0.25 -0.41 1.88 0.29 0.00 0.00 0.00 175.10 177.11 2e9i n LYS 10 N 4.85 2.87 -1.94 2.72 5.02 -1.26 -5.02 118.16 125.40 2e9i n LYS 10 Ca -0.06 -3.52 -0.34 0.00 -2.02 0.00 0.00 58.31 52.37 2e9i n LYS 10 Cb 0.44 -2.28 0.03 0.00 -0.02 0.00 0.00 35.03 33.20 2e9i n LYS 10 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2e9i s GLU 11 N -3.84 2.94 0.67 1.97 0.41 -1.26 -5.03 118.70 114.57 2e9i s GLU 11 Ca 0.60 1.60 -0.08 0.00 -0.41 0.00 0.00 54.97 56.68 2e9i s GLU 11 Cb 0.48 -1.95 0.03 0.00 -1.78 0.00 0.00 34.13 30.91 2e9i s GLU 11 CO -0.10 -1.18 1.01 0.45 -0.49 0.00 0.00 175.26 174.95 2e9i s SER 12 N -2.03 5.21 0.16 -0.19 0.15 -1.26 -5.06 113.70 110.68 2e9i s SER 12 Ca 0.72 0.73 0.08 0.00 0.70 0.00 0.00 55.95 58.18 2e9i s SER 12 Cb -0.25 -1.53 -0.04 0.00 -1.71 0.00 0.00 66.02 62.50 2e9i s SER 12 CO 0.35 -1.37 -0.17 0.27 1.20 0.00 0.00 173.24 173.52 2e9i s ILE 13 N -3.21 1.68 0.00 6.45 -0.00 -1.26 -5.16 121.20 119.71 2e9i s ILE 13 Ca 0.57 -1.90 -0.12 0.00 -0.00 0.00 0.00 60.65 59.21 2e9i s ILE 13 Cb -0.11 -1.79 0.01 0.00 -0.00 0.00 0.00 42.46 40.58 2e9i s ILE 13 CO 0.47 -0.37 0.24 0.28 -0.00 0.00 0.00 174.94 175.56 2e9i s THR 14 N -2.18 0.08 0.14 8.37 -1.32 -1.26 -4.99 115.64 114.48 2e9i s THR 14 Ca 0.15 -0.62 -0.25 0.00 -1.21 0.00 0.00 61.69 59.75 2e9i s THR 14 Cb -0.05 -0.64 0.07 0.00 -1.51 0.00 0.00 72.50 70.38 2e9i s THR 14 CO 0.06 -0.34 1.02 -0.60 -2.21 0.00 0.00 174.62 172.54 2e9i s ARG 15 N -1.65 1.12 -0.76 7.08 3.52 -1.26 -5.10 118.95 121.90 2e9i s ARG 15 Ca -0.12 -0.64 -0.26 0.00 -0.13 0.00 0.00 55.73 54.58 2e9i s ARG 15 Cb -0.05 0.37 0.02 0.00 -1.56 0.00 0.00 34.95 33.73 2e9i s ARG 15 CO 0.02 -0.51 1.45 0.95 -0.81 0.00 0.00 175.30 176.39 2e9i s THR 16 N -2.96 3.67 -0.28 4.11 -4.23 -1.26 -4.93 115.64 109.76 2e9i s THR 16 Ca 0.14 0.17 -0.33 0.00 -1.18 0.00 0.00 61.69 60.49 2e9i s THR 16 Cb -0.01 -4.71 -0.15 0.00 1.34 0.00 0.00 72.50 68.97 2e9i s THR 16 CO 0.02 -1.65 1.08 -0.24 -0.54 0.00 0.00 174.62 173.29 2e9i n SER 17 N 10.16 0.69 -4.05 3.99 2.88 -1.26 -4.85 113.62 121.18 2e9i n SER 17 Ca 0.12 0.86 -0.29 0.00 -1.33 0.00 0.00 58.87 58.24 2e9i n SER 17 Cb 0.50 -0.65 0.25 0.00 -0.75 0.00 0.00 64.21 63.56 2e9i n SER 17 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2e9i n ARG 18 N 2.52 -3.05 -1.02 -1.46 1.85 -1.26 -4.82 116.66 109.42 2e9i n ARG 18 Ca 0.21 -0.88 -0.34 0.00 -1.00 0.00 0.00 57.85 55.84 2e9i n ARG 18 Cb -0.02 -1.96 -0.01 0.00 -1.05 0.00 0.00 32.46 29.42 2e9i n ARG 18 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2e9i n ALA 19 N -5.12 -2.55 -1.14 2.89 0.00 -1.26 -4.91 120.51 108.42 2e9i n ALA 19 Ca 0.05 0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.37 2e9i n ALA 19 Cb 0.56 -1.16 0.20 0.00 0.00 0.00 0.00 19.45 19.04 2e9i n ALA 19 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2e9i s PRO 20 N -0.76 -0.05 -0.02 0.00 0.04 -1.26 -5.08 135.00 127.86 2e9i s PRO 20 Ca 0.47 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.86 2e9i s PRO 20 Cb -0.56 -1.70 0.03 0.00 0.04 0.00 0.00 34.50 32.31 2e9i s PRO 20 CO 0.46 -3.02 0.01 -1.12 0.04 0.00 0.00 177.00 173.38 2e9i s SER 21 N -3.56 0.21 0.16 6.66 0.01 -1.26 -5.13 113.70 110.80 2e9i s SER 21 Ca 0.67 0.01 -0.31 0.00 1.31 0.00 0.00 55.95 57.63 2e9i s SER 21 Cb -0.17 -0.13 -0.09 0.00 0.21 0.00 0.00 66.02 65.85 2e9i s SER 21 CO 0.57 -0.10 1.38 0.54 0.41 0.00 0.00 173.24 176.04 2e9i s VAL 22 N 0.94 3.17 0.01 3.43 0.11 -1.26 -4.59 120.40 122.21 2e9i s VAL 22 Ca -0.09 0.89 0.00 0.00 -2.93 0.00 0.00 61.98 59.86 2e9i s VAL 22 Cb -0.12 -3.57 -0.01 0.00 -1.53 0.00 0.00 36.38 31.15 2e9i s VAL 22 CO -0.02 0.10 -0.03 0.00 -3.33 0.00 0.00 175.10 171.82 2e9i s ALA 23 N 0.68 0.16 0.47 1.54 0.00 -1.25 -5.11 121.76 118.25 2e9i s ALA 23 Ca 0.62 -0.32 0.07 0.00 0.00 0.00 0.00 51.96 52.33 2e9i s ALA 23 Cb -0.38 0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.79 2e9i s ALA 23 CO 0.34 -0.05 0.42 -0.08 0.00 0.00 0.00 175.76 176.39 2e9i s THR 24 N -0.69 2.30 -0.01 0.00 -1.32 -1.26 -1.50 115.64 113.17 2e9i s THR 24 Ca -0.07 -1.37 0.08 0.00 -1.21 0.00 0.00 61.69 59.13 2e9i s THR 24 Cb -0.05 -2.67 -0.02 0.00 -1.51 0.00 0.00 72.50 68.25 2e9i s THR 24 CO -0.00 0.00 -0.26 0.54 -2.21 0.00 0.00 174.62 172.69 2e9i s VAL 25 N -2.58 2.06 -0.08 5.08 0.11 -1.21 -4.63 120.40 119.14 2e9i s VAL 25 Ca 0.45 -1.16 -0.00 0.00 -2.93 0.00 0.00 61.98 58.34 2e9i s VAL 25 Cb -0.03 -1.72 0.00 0.00 -1.53 0.00 0.00 36.38 33.11 2e9i s VAL 25 CO 0.27 0.53 0.07 0.61 -3.33 0.00 0.00 175.10 173.25 2e9i n GLY 26 N 2.31 0.57 3.57 6.54 0.00 -1.26 -4.90 105.19 112.00 2e9i n GLY 26 Ca -0.16 -0.51 -0.06 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.06 -0.21 -0.46 1.61 0.15 -1.26 -5.11 113.70 105.35 2e9i s SER 27 Ca 0.01 -0.01 -0.28 0.00 0.70 0.00 0.00 55.95 56.37 2e9i s SER 27 Cb -0.01 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 2e9i s SER 27 CO 0.05 -0.38 1.50 -0.63 1.20 0.00 0.00 173.24 174.98 2e9i s ILE 28 N -2.68 3.76 -0.50 6.45 1.01 -1.26 -4.19 121.20 123.79 2e9i s ILE 28 Ca 0.08 0.73 -0.20 0.00 0.00 0.00 0.00 60.65 61.26 2e9i s ILE 28 Cb -0.01 -4.16 0.05 0.00 0.01 0.00 0.00 42.46 38.35 2e9i s ILE 28 CO -0.06 -0.83 0.67 0.00 0.00 0.00 0.00 174.94 174.72 2e9i s ASP 30 N 2.62 6.79 -0.38 0.00 -1.08 -1.26 -3.66 116.67 119.70 2e9i s ASP 30 Ca 0.18 2.33 0.03 0.00 -0.52 0.00 0.00 52.55 54.57 2e9i s ASP 30 Cb -0.18 -2.58 0.11 0.00 -1.46 0.00 0.00 42.92 38.81 2e9i s ASP 30 CO 0.14 -0.70 0.12 -0.22 0.52 0.00 0.00 175.17 175.03 2e9i s LEU 31 N 1.47 3.77 -0.16 -1.34 2.96 0.11 -4.99 118.68 120.49 2e9i s LEU 31 Ca 0.66 -2.24 -0.28 0.00 -0.22 0.00 0.00 54.13 52.04 2e9i s LEU 31 Cb -0.37 -1.36 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 2e9i s LEU 31 CO 0.30 -0.35 0.97 0.54 -1.32 0.00 0.00 176.35 176.49 2e9i s ASN 32 N 0.80 7.12 0.02 3.68 4.22 -1.26 -1.60 114.94 127.92 2e9i s ASN 32 Ca 0.13 1.39 0.06 0.00 -2.14 0.00 0.00 52.86 52.30 2e9i s ASN 32 Cb -0.21 -2.52 -0.02 0.00 1.28 0.00 0.00 41.25 39.78 2e9i s ASN 32 CO -0.10 -0.50 -0.19 -0.76 -2.04 0.00 0.00 177.10 173.51 2e9i s LEU 33 N 2.42 2.12 -0.89 3.54 1.43 -1.18 -5.03 118.68 121.09 2e9i s LEU 33 Ca 0.44 -0.44 -0.18 0.00 -1.03 0.00 0.00 54.13 52.92 2e9i s LEU 33 Cb -0.17 -0.90 0.14 0.00 0.03 0.00 0.00 46.19 45.29 2e9i s LEU 33 CO 0.13 0.17 1.05 -1.59 0.23 0.00 0.00 176.35 176.33 2e9i s LYS 34 N -0.88 3.56 -0.11 1.70 -2.85 -1.26 -3.72 119.74 116.17 2e9i s LYS 34 Ca 0.06 -1.81 -0.04 0.00 -1.00 0.00 0.00 55.97 53.18 2e9i s LYS 34 Cb -0.08 -4.79 -0.04 0.00 -2.06 0.00 0.00 37.83 30.86 2e9i s LYS 34 CO 0.01 -1.69 0.04 0.42 0.10 0.00 0.00 175.35 174.23 2e9i s ILE 35 N 2.37 4.68 0.00 3.79 1.01 -1.25 -5.07 121.20 126.73 2e9i s ILE 35 Ca 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.84 2e9i s ILE 35 Cb -0.07 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.39 2e9i s ILE 35 CO -0.08 0.59 0.00 -0.81 0.00 0.00 0.00 174.94 174.64 2e9i n PRO 36 N 2.31 0.16 0.12 2.79 -0.04 -1.26 -3.79 135.00 135.29 2e9i n PRO 36 Ca -0.19 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.42 2e9i n PRO 36 Cb 0.54 0.00 0.40 0.00 -0.04 0.00 0.00 33.50 34.40 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 -6.03 0.54 4.11 -1.98 -3.43 114.58 107.79 2e9i h GLU 37 Ca 0.00 0.00 -0.79 0.00 0.07 0.00 0.00 59.36 58.64 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 0.21 -0.89 0.07 0.00 0.00 179.01 178.40 2e9i n ILE 38 N -2.99 0.01 -2.89 -1.06 5.41 -1.26 -4.94 119.36 111.64 2e9i n ILE 38 Ca 0.08 -0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.61 2e9i n ILE 38 Cb 1.00 -0.18 0.02 0.00 -0.71 0.00 0.00 39.64 39.77 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 0.55 5.65 -0.03 4.38 -0.87 -1.26 -4.99 114.94 118.37 2e9i s ASN 39 Ca 0.93 0.16 -0.23 0.00 -1.57 0.00 0.00 52.86 52.14 2e9i s ASN 39 Cb -1.27 -1.29 -0.21 0.00 -0.02 0.00 0.00 41.25 38.45 2e9i s ASN 39 CO 0.60 -0.84 1.12 0.77 -2.57 0.00 0.00 177.10 176.18 2e9i h SER 40 N 0.31 0.26 -1.48 -1.22 4.64 -1.92 -2.56 113.55 111.57 2e9i h SER 40 Ca -0.45 -0.69 0.45 0.00 -0.47 0.00 0.00 61.79 60.63 2e9i h SER 40 Cb 1.27 -0.08 -0.09 0.00 -0.31 0.00 0.00 62.40 63.19 2e9i h SER 40 CO 0.55 0.91 1.03 -1.28 -0.87 0.00 0.00 176.83 177.17 2e9i h SER 41 N -0.37 0.12 0.37 4.97 0.87 -1.98 0.82 113.55 118.35 2e9i h SER 41 Ca -0.02 0.05 -0.32 0.00 -1.23 0.00 0.00 61.79 60.28 2e9i h SER 41 Cb 0.92 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.89 2e9i h SER 41 CO 0.05 -0.05 -1.75 0.44 -0.53 0.00 0.00 176.83 174.98 2e9i h ASP 42 N 0.06 0.22 -4.55 6.23 5.19 -1.97 -3.47 116.42 118.13 2e9i h ASP 42 Ca 0.78 -0.43 -0.48 0.00 -0.62 0.00 0.00 57.03 56.28 2e9i h ASP 42 Cb 2.81 -0.07 0.09 0.00 0.18 0.00 0.00 39.33 42.34 2e9i h ASP 42 CO -0.17 1.38 0.41 -0.04 -3.12 0.00 0.00 179.24 177.70 2e9i s MET 43 N -2.59 2.39 -0.19 3.56 -1.94 0.28 -4.08 119.30 116.73 2e9i s MET 43 Ca -0.11 0.28 -0.07 0.00 -1.71 0.00 0.00 55.69 54.07 2e9i s MET 43 Cb 0.07 -1.98 0.08 0.00 2.01 0.00 0.00 34.83 35.01 2e9i s MET 43 CO 0.81 -1.33 0.40 -1.12 -0.01 0.00 0.00 175.02 173.77 2e9i s SER 44 N -4.48 -0.25 -0.12 3.03 0.01 -1.17 -4.87 113.70 105.87 2e9i s SER 44 Ca 0.60 0.94 0.01 0.00 1.31 0.00 0.00 55.95 58.80 2e9i s SER 44 Cb -0.11 1.18 -0.02 0.00 0.21 0.00 0.00 66.02 67.28 2e9i s SER 44 CO 0.50 -0.23 -0.14 0.00 0.41 0.00 0.00 173.24 173.79 2e9i s ALA 45 N 2.36 2.59 -0.22 1.44 0.00 -1.26 -3.39 121.76 123.29 2e9i s ALA 45 Ca -0.03 -0.91 -0.09 0.00 0.00 0.00 0.00 51.96 50.93 2e9i s ALA 45 Cb -0.11 -1.15 0.09 0.00 0.00 0.00 0.00 23.12 21.95 2e9i s ALA 45 CO -0.12 0.30 0.49 -1.01 0.00 0.00 0.00 175.76 175.41 2e9i s HIS 46 N 0.19 -0.88 0.10 0.00 3.76 -0.97 -2.79 115.29 114.70 2e9i s HIS 46 Ca -0.08 1.68 -0.26 0.00 -0.15 0.00 0.00 55.06 56.26 2e9i s HIS 46 Cb -0.15 0.42 -0.07 0.00 1.11 0.00 0.00 32.58 33.89 2e9i s HIS 46 CO 0.05 -0.49 0.79 0.08 -0.85 0.00 0.00 174.74 174.32 2e9i s VAL 47 N 2.29 4.55 0.17 -0.90 1.01 -1.18 -1.64 120.40 124.70 2e9i s VAL 47 Ca -0.05 1.70 0.06 0.00 0.00 0.00 0.00 61.98 63.69 2e9i s VAL 47 Cb -0.10 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2e9i s VAL 47 CO -0.15 0.43 0.09 -0.89 0.00 0.00 0.00 175.10 174.58 2e9i s THR 48 N -0.52 4.21 0.14 3.92 2.01 -0.34 -0.57 115.64 124.48 2e9i s THR 48 Ca 0.38 -1.23 0.06 0.00 0.31 0.00 0.00 61.69 61.22 2e9i s THR 48 Cb -0.22 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 2e9i s THR 48 CO 0.25 -0.12 -0.00 -0.44 -0.69 0.00 0.00 174.62 173.61 2e9i s SER 49 N -3.09 4.86 0.00 3.53 0.01 0.13 -3.53 113.70 115.61 2e9i s SER 49 Ca 0.30 -0.31 0.15 0.00 1.31 0.00 0.00 55.95 57.40 2e9i s SER 49 Cb -0.10 -1.08 0.92 0.00 0.21 0.00 0.00 66.02 65.97 2e9i s SER 49 CO 0.22 0.12 1.34 -0.81 0.41 0.00 0.00 173.24 174.52 2e9i n PRO 50 N 0.17 0.47 -0.01 12.44 -0.04 -1.26 -2.01 135.00 144.77 2e9i n PRO 50 Ca -0.10 0.01 0.09 0.00 -0.04 0.00 0.00 63.50 63.45 2e9i n PRO 50 Cb 0.54 -1.50 -0.14 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 -1.02 0.90 0.00 3.54 3.41 -1.26 -4.98 113.62 114.21 2e9i n SER 51 Ca 0.11 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2e9i n SER 51 Cb 0.06 1.78 0.00 0.00 -0.26 0.00 0.00 64.21 65.79 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 1.48 1.90 3.74 5.00 0.00 -0.85 -5.14 105.19 111.33 2e9i n GLY 52 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 2.72 -0.03 1.61 0.52 -1.25 -4.92 118.95 117.49 2e9i s ARG 53 Ca 0.00 -0.86 0.02 0.00 -0.52 0.00 0.00 55.73 54.37 2e9i s ARG 53 Cb 0.00 -2.59 0.01 0.00 0.52 0.00 0.00 34.95 32.89 2e9i s ARG 53 CO 0.00 0.51 -0.07 0.08 0.02 0.00 0.00 175.30 175.84 2e9i s VAL 54 N -1.55 0.69 0.45 3.52 1.01 -1.26 0.22 120.40 123.47 2e9i s VAL 54 Ca 0.29 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.04 2e9i s VAL 54 Cb -0.11 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 2e9i s VAL 54 CO 0.21 0.23 0.11 0.42 0.00 0.00 0.00 175.10 176.07 2e9i s THR 55 N 0.38 1.85 -0.09 3.92 -4.23 0.26 -5.00 115.64 112.73 2e9i s THR 55 Ca -0.06 -1.84 0.04 0.00 -1.18 0.00 0.00 61.69 58.66 2e9i s THR 55 Cb -0.10 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.05 2e9i s THR 55 CO 0.00 0.00 -0.23 -0.70 -0.54 0.00 0.00 174.62 173.16 2e9i s GLU 56 N -3.89 2.87 0.30 3.99 2.12 -1.26 -3.12 118.70 119.72 2e9i s GLU 56 Ca 0.30 -0.82 0.09 0.00 0.36 0.00 0.00 54.97 54.89 2e9i s GLU 56 Cb 0.04 -2.19 -0.04 0.00 0.26 0.00 0.00 34.13 32.20 2e9i s GLU 56 CO 0.16 0.17 0.07 0.00 -0.54 0.00 0.00 175.26 175.12 2e9i s ALA 57 N 0.37 3.33 -0.11 6.30 0.00 -1.12 -4.96 121.76 125.57 2e9i s ALA 57 Ca -0.18 -1.74 -0.02 0.00 0.00 0.00 0.00 51.96 50.02 2e9i s ALA 57 Cb -0.18 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 2e9i s ALA 57 CO 0.08 0.15 -0.03 -2.00 0.00 0.00 0.00 175.76 173.96 2e9i s GLU 58 N -3.76 3.18 -0.90 0.00 2.12 -1.26 -4.71 118.70 113.36 2e9i s GLU 58 Ca 0.34 -0.49 -0.15 0.00 0.36 0.00 0.00 54.97 55.03 2e9i s GLU 58 Cb -0.04 -2.78 0.20 0.00 0.26 0.00 0.00 34.13 31.77 2e9i s GLU 58 CO 0.21 0.51 0.93 0.42 -0.54 0.00 0.00 175.26 176.80 2e9i s ILE 59 N -0.38 5.38 0.06 -3.70 1.01 -1.26 -3.25 121.20 119.05 2e9i s ILE 59 Ca 0.06 -2.33 -0.31 0.00 0.00 0.00 0.00 60.65 58.08 2e9i s ILE 59 Cb -0.12 -4.59 -0.10 0.00 0.01 0.00 0.00 42.46 37.66 2e9i s ILE 59 CO 0.02 -1.20 1.93 0.52 0.00 0.00 0.00 174.94 176.21 2e9i n VAL 60 N 4.30 0.63 -2.07 2.92 0.31 0.12 -4.80 118.33 119.74 2e9i n VAL 60 Ca 0.19 -0.11 -0.41 0.00 -0.01 0.00 0.00 64.34 63.99 2e9i n VAL 60 Cb 0.47 -2.23 -0.03 0.00 -0.91 0.00 0.00 33.84 31.14 2e9i n VAL 60 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2e9i s PRO 61 N 3.89 3.08 -0.08 5.55 0.04 -1.26 -0.94 135.00 145.27 2e9i s PRO 61 Ca 0.87 1.02 -0.09 0.00 0.04 0.00 0.00 61.00 62.84 2e9i s PRO 61 Cb -0.47 -4.25 -0.06 0.00 0.04 0.00 0.00 34.50 29.77 2e9i s PRO 61 CO 0.41 -2.18 0.34 0.52 0.04 0.00 0.00 177.00 176.13 2e9i h MET 62 N 13.42 -0.20 0.00 4.56 2.86 -1.83 -3.48 114.93 130.26 2e9i h MET 62 Ca -0.30 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 2e9i h MET 62 Cb 1.16 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2e9i h MET 62 CO 1.12 -0.05 0.00 0.41 1.06 0.00 0.00 176.91 179.45 2e9i n GLY 63 N 1.19 -0.57 3.67 8.32 0.00 -0.95 -5.00 105.19 111.84 2e9i n GLY 63 Ca -0.04 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.09 4.17 -1.23 1.61 2.47 -1.26 -3.02 119.74 122.39 2e9i s LYS 64 Ca 0.00 2.34 -0.16 0.00 -1.56 0.00 0.00 55.97 56.60 2e9i s LYS 64 Cb 0.00 -3.96 0.16 0.00 -1.46 0.00 0.00 37.83 32.57 2e9i s LYS 64 CO 0.00 -0.86 0.39 0.09 0.16 0.00 0.00 175.35 175.14 2e9i n ASN 65 N 6.93 -1.29 -3.93 1.43 3.02 -1.26 -4.86 115.26 115.29 2e9i n ASN 65 Ca 0.18 -0.76 -0.17 0.00 -0.03 0.00 0.00 54.58 53.79 2e9i n ASN 65 Cb 0.42 -1.14 -0.15 0.00 -0.61 0.00 0.00 39.78 38.29 2e9i n ASN 65 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2e9i s SER 66 N -2.53 0.68 0.04 6.41 0.15 -1.17 -3.75 113.70 113.53 2e9i s SER 66 Ca 0.55 -0.10 -0.07 0.00 0.70 0.00 0.00 55.95 57.03 2e9i s SER 66 Cb -0.32 -0.17 -0.01 0.00 -1.71 0.00 0.00 66.02 63.82 2e9i s SER 66 CO 0.67 0.02 0.13 -1.00 1.20 0.00 0.00 173.24 174.26 2e9i s HIS 67 N 0.21 0.16 -0.07 3.44 3.76 -1.24 -2.25 115.29 119.30 2e9i s HIS 67 Ca -0.02 -0.44 -0.00 0.00 -0.15 0.00 0.00 55.06 54.45 2e9i s HIS 67 Cb -0.06 -0.11 0.02 0.00 1.11 0.00 0.00 32.58 33.55 2e9i s HIS 67 CO -0.00 -0.39 -0.03 0.00 -0.85 0.00 0.00 174.74 173.46 2e9i s VAL 69 N 1.45 5.15 -0.14 0.00 1.01 -0.63 0.13 120.40 127.37 2e9i s VAL 69 Ca -0.02 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.08 2e9i s VAL 69 Cb -0.13 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 32.86 2e9i s VAL 69 CO -0.03 0.34 -0.19 -0.13 0.00 0.00 0.00 175.10 175.09 2e9i s ARG 70 N 1.17 2.73 0.24 2.72 0.52 -1.20 0.07 118.95 125.19 2e9i s ARG 70 Ca 0.07 -0.74 -0.20 0.00 -0.52 0.00 0.00 55.73 54.33 2e9i s ARG 70 Cb -0.14 -2.30 0.03 0.00 0.52 0.00 0.00 34.95 33.06 2e9i s ARG 70 CO 0.05 -0.11 0.65 -0.59 0.02 0.00 0.00 175.30 175.32 2e9i s PHE 71 N 1.08 -0.22 -0.64 -0.53 -0.12 -1.24 -4.11 117.98 112.20 2e9i s PHE 71 Ca -0.02 -0.16 -0.12 0.00 -0.05 0.00 0.00 56.93 56.58 2e9i s PHE 71 Cb -0.14 0.60 0.16 0.00 -0.63 0.00 0.00 43.02 43.01 2e9i s PHE 71 CO -0.06 -1.09 0.55 0.08 -0.05 0.00 0.00 175.22 174.65 2e9i s VAL 72 N -3.88 4.92 -1.06 -2.49 1.01 -1.26 -0.58 120.40 117.06 2e9i s VAL 72 Ca 0.09 -2.11 -0.23 0.00 0.00 0.00 0.00 61.98 59.72 2e9i s VAL 72 Cb -0.04 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.14 2e9i s VAL 72 CO 0.01 -0.91 1.94 -2.16 0.00 0.00 0.00 175.10 173.99 2e9i s PRO 73 N 0.80 2.52 -0.24 2.72 0.04 -1.26 -4.91 135.00 134.67 2e9i s PRO 73 Ca 0.11 -0.79 0.02 0.00 0.04 0.00 0.00 61.00 60.37 2e9i s PRO 73 Cb -0.21 -5.17 0.05 0.00 0.04 0.00 0.00 34.50 29.21 2e9i s PRO 73 CO -0.03 -3.73 -0.12 1.14 0.04 0.00 0.00 177.00 174.31 2e9i s GLN 74 N 6.70 2.50 0.32 4.56 -2.07 -1.26 -4.54 119.66 125.87 2e9i s GLN 74 Ca 0.69 -1.18 0.03 0.00 -1.82 0.00 0.00 55.36 53.09 2e9i s GLN 74 Cb -0.03 -2.85 -0.01 0.00 -1.09 0.00 0.00 33.01 29.02 2e9i s GLN 74 CO 0.07 -0.47 0.35 0.39 -1.32 0.00 0.00 175.29 174.31 2e9i n GLU 75 N 4.52 0.51 -0.35 9.60 1.02 -1.26 -5.04 120.64 129.63 2e9i n GLU 75 Ca -0.16 -2.91 0.11 0.00 -0.02 0.00 0.00 57.16 54.18 2e9i n GLU 75 Cb 0.45 2.55 0.31 0.00 -0.02 0.00 0.00 31.44 34.73 2e9i n GLU 75 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2e9i n MET 76 N -0.57 2.63 0.00 3.49 2.81 -1.26 -4.98 117.12 119.24 2e9i n MET 76 Ca 0.04 -2.53 0.00 0.00 -1.81 0.00 0.00 57.70 53.41 2e9i n MET 76 Cb 0.56 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 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 1.62 2.12 3.82 3.03 0.00 -1.26 -5.04 105.19 109.48 2e9i n GLY 77 Ca 0.23 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 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 1.29 4.20 -0.10 1.61 0.11 -1.26 -4.69 120.40 121.55 2e9i s VAL 78 Ca 0.00 1.23 0.01 0.00 -2.93 0.00 0.00 61.98 60.29 2e9i s VAL 78 Cb 0.00 -3.56 -0.02 0.00 -1.53 0.00 0.00 36.38 31.27 2e9i s VAL 78 CO 0.00 -0.43 -0.13 -1.00 -3.33 0.00 0.00 175.10 170.21 2e9i s HIS 79 N -2.29 2.78 -0.09 1.54 0.09 -1.22 -3.99 115.29 112.11 2e9i s HIS 79 Ca 0.63 -0.43 0.01 0.00 -0.00 0.00 0.00 55.06 55.26 2e9i s HIS 79 Cb -0.12 -1.76 0.02 0.00 -0.00 0.00 0.00 32.58 30.72 2e9i s HIS 79 CO 0.23 -0.04 -0.09 0.99 -0.00 0.00 0.00 174.74 175.83 2e9i s THR 80 N -0.09 1.00 0.08 1.30 2.01 -1.23 -2.62 115.64 116.10 2e9i s THR 80 Ca -0.02 -0.33 -0.17 0.00 0.31 0.00 0.00 61.69 61.49 2e9i s THR 80 Cb -0.14 -0.99 -0.07 0.00 0.01 0.00 0.00 72.50 71.32 2e9i s THR 80 CO 0.04 0.35 0.53 -0.69 -0.69 0.00 0.00 174.62 174.16 2e9i s VAL 81 N 1.28 4.83 -0.34 3.82 1.01 -0.56 -1.20 120.40 129.24 2e9i s VAL 81 Ca -0.03 1.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.94 2e9i s VAL 81 Cb -0.14 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.51 2e9i s VAL 81 CO -0.03 0.45 0.08 -0.94 0.00 0.00 0.00 175.10 174.66 2e9i s SER 82 N -1.31 5.03 -0.23 3.32 1.04 -0.65 -2.35 113.70 118.55 2e9i s SER 82 Ca 0.31 -1.60 0.01 0.00 0.48 0.00 0.00 55.95 55.15 2e9i s SER 82 Cb -0.17 -1.75 0.05 0.00 0.10 0.00 0.00 66.02 64.24 2e9i s SER 82 CO 0.18 -0.37 -0.09 -0.69 0.98 0.00 0.00 173.24 173.25 2e9i s VAL 83 N 1.19 1.75 0.05 5.02 1.01 -1.26 -2.29 120.40 125.88 2e9i s VAL 83 Ca 0.01 -1.24 0.04 0.00 0.00 0.00 0.00 61.98 60.78 2e9i s VAL 83 Cb -0.21 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2e9i s VAL 83 CO -0.03 0.03 -0.11 -0.54 0.00 0.00 0.00 175.10 174.46 2e9i s LYS 84 N 1.32 0.69 -0.33 2.72 1.02 -1.22 -2.48 119.74 121.46 2e9i s LYS 84 Ca -0.05 -0.82 0.04 0.00 0.02 0.00 0.00 55.97 55.16 2e9i s LYS 84 Cb -0.18 -0.60 0.10 0.00 -0.52 0.00 0.00 37.83 36.63 2e9i s LYS 84 CO -0.07 0.13 0.04 -0.47 -0.92 0.00 0.00 175.35 174.06 2e9i s TYR 85 N -1.22 3.69 -1.68 3.18 5.04 0.64 -3.03 117.35 123.97 2e9i s TYR 85 Ca -0.05 -2.93 0.00 0.00 -2.44 0.00 0.00 57.07 51.65 2e9i s TYR 85 Cb -0.09 -2.83 0.00 0.00 0.35 0.00 0.00 41.96 39.39 2e9i s TYR 85 CO 0.01 -0.94 0.00 0.54 -1.34 0.00 0.00 175.55 173.82 2e9i n ARG 86 N 4.27 -1.51 -0.86 4.97 1.74 -1.26 -2.64 116.66 121.38 2e9i n ARG 86 Ca 0.02 0.96 0.00 0.00 -0.77 0.00 0.00 57.85 58.06 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 -0.98 1.17 2.82 -0.13 0.00 -1.26 -5.09 105.19 101.72 2e9i n GLY 87 Ca -0.22 -0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.00 0.13 0.02 1.61 -1.52 -1.08 -5.08 119.66 111.74 2e9i s GLN 88 Ca 0.00 0.40 -0.30 0.00 -1.95 0.00 0.00 55.36 53.50 2e9i s GLN 88 Cb 0.00 -0.75 -0.08 0.00 -0.22 0.00 0.00 33.01 31.97 2e9i s GLN 88 CO 0.00 -0.49 1.75 -1.01 -0.25 0.00 0.00 175.29 175.29 2e9i s HIS 89 N 2.33 1.95 1.29 0.91 3.76 -1.26 -0.26 115.29 124.01 2e9i s HIS 89 Ca 0.05 0.04 -0.18 0.00 -0.15 0.00 0.00 55.06 54.82 2e9i s HIS 89 Cb -0.14 -4.04 0.32 0.00 1.11 0.00 0.00 32.58 29.84 2e9i s HIS 89 CO -0.09 -4.39 0.99 0.14 -0.85 0.00 0.00 174.74 170.54 2e9i s VAL 90 N 3.60 1.58 0.13 -0.90 -7.23 -1.03 -4.79 120.40 111.76 2e9i s VAL 90 Ca 0.78 0.00 -0.33 0.00 -1.81 0.00 0.00 61.98 60.62 2e9i s VAL 90 Cb -0.39 -2.13 -0.13 0.00 0.56 0.00 0.00 36.38 34.29 2e9i s VAL 90 CO 0.34 0.00 1.66 0.41 -0.31 0.00 0.00 175.10 177.20 2e9i n THR 91 N -5.24 0.11 -3.04 5.32 -1.04 -1.26 -1.67 114.28 107.46 2e9i n THR 91 Ca 0.08 -0.02 -0.17 0.00 -2.04 0.00 0.00 64.05 61.90 2e9i n THR 91 Cb 0.58 -1.69 0.04 0.00 -1.82 0.00 0.00 70.33 67.43 2e9i n THR 91 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2e9i n GLY 92 N 3.69 -0.20 3.22 3.41 0.00 -1.26 -5.02 105.19 109.02 2e9i n GLY 92 Ca 0.18 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 2.31 0.97 1.61 0.15 -0.67 -3.70 113.70 111.40 2e9i s SER 93 Ca 0.32 -0.44 -0.12 0.00 0.70 0.00 0.00 55.95 56.41 2e9i s SER 93 Cb -0.14 -0.22 0.17 0.00 -1.71 0.00 0.00 66.02 64.12 2e9i s SER 93 CO 0.39 0.19 1.09 -2.16 1.20 0.00 0.00 173.24 173.95 2e9i s PRO 94 N -0.85 0.65 0.14 5.44 0.04 -1.26 -4.74 135.00 134.42 2e9i s PRO 94 Ca 0.07 0.60 0.04 0.00 0.04 0.00 0.00 61.00 61.75 2e9i s PRO 94 Cb -0.08 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2e9i s PRO 94 CO 0.01 -2.60 0.17 -0.06 0.04 0.00 0.00 177.00 174.55 2e9i s PHE 95 N -2.96 3.27 -0.03 0.56 0.08 -0.99 -4.94 117.98 112.97 2e9i s PHE 95 Ca 0.65 0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.76 2e9i s PHE 95 Cb -0.18 -1.59 0.02 0.00 -0.57 0.00 0.00 43.02 40.69 2e9i s PHE 95 CO 0.57 0.52 -0.03 -0.65 -0.10 0.00 0.00 175.22 175.54 2e9i s GLN 96 N -2.98 0.50 -0.21 0.44 -0.21 -1.26 -1.49 119.66 114.45 2e9i s GLN 96 Ca 0.32 -0.07 -0.18 0.00 0.02 0.00 0.00 55.36 55.45 2e9i s GLN 96 Cb -0.11 -0.56 0.06 0.00 1.00 0.00 0.00 33.01 33.40 2e9i s GLN 96 CO 0.25 -0.04 0.55 -0.59 -2.12 0.00 0.00 175.29 173.34 2e9i s PHE 97 N 0.60 -0.63 0.29 0.91 -0.71 -1.08 -4.92 117.98 112.44 2e9i s PHE 97 Ca -0.07 1.50 -0.20 0.00 -1.04 0.00 0.00 56.93 57.12 2e9i s PHE 97 Cb -0.10 0.24 -0.09 0.00 -1.21 0.00 0.00 43.02 41.85 2e9i s PHE 97 CO -0.01 -0.31 0.80 -0.08 -1.34 0.00 0.00 175.22 174.28 2e9i s THR 98 N 0.44 4.51 0.27 -4.49 -1.32 -1.26 -3.37 115.64 110.42 2e9i s THR 98 Ca -0.01 1.33 0.09 0.00 -1.21 0.00 0.00 61.69 61.89 2e9i s THR 98 Cb -0.04 -3.79 -0.04 0.00 -1.51 0.00 0.00 72.50 67.11 2e9i s THR 98 CO -0.01 0.03 0.02 -0.69 -2.21 0.00 0.00 174.62 171.75 2e9i s VAL 99 N -1.74 3.50 -0.01 5.08 1.01 -1.26 -3.94 120.40 123.04 2e9i s VAL 99 Ca 0.50 -1.87 -0.03 0.00 0.00 0.00 0.00 61.98 60.58 2e9i s VAL 99 Cb -0.14 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2e9i s VAL 99 CO 0.20 -0.37 0.17 -0.83 0.00 0.00 0.00 175.10 174.27 2e9i s GLY 100 N -3.69 2.16 1.13 4.51 0.00 -0.56 -5.00 107.32 105.87 2e9i s GLY 100 Ca 0.32 -0.77 -0.17 0.00 0.00 0.00 0.00 44.72 44.10 2e9i s GLY 100 CO 0.20 -0.65 1.10 2.56 0.00 0.00 0.00 173.10 176.31 2e9i s PRO 101 N -1.90 -0.62 0.89 2.90 0.04 -1.26 -3.32 135.00 131.74 2e9i s PRO 101 Ca 0.27 0.15 -0.16 0.00 0.04 0.00 0.00 61.00 61.29 2e9i s PRO 101 Cb -0.13 -1.65 -0.10 0.00 0.04 0.00 0.00 34.50 32.66 2e9i s PRO 101 CO 0.18 -3.35 -0.34 1.47 0.04 0.00 0.00 177.00 175.00 2e9i n LEU 102 N -4.55 -3.88 -4.68 -3.56 -0.00 -1.26 -4.73 117.00 94.35 2e9i n LEU 102 Ca 0.10 0.32 -0.45 0.00 -0.00 0.00 0.00 56.01 55.97 2e9i n LEU 102 Cb 0.59 -0.91 -0.04 0.00 -0.00 0.00 0.00 43.42 43.06 2e9i n LEU 102 CO 0.50 -5.10 1.48 0.61 -0.00 0.00 0.00 177.39 174.88 2e9i n GLY 103 N 2.78 1.56 3.51 1.47 0.00 -1.26 -4.93 105.19 108.32 2e9i n GLY 103 Ca 0.02 0.80 -0.43 0.00 0.00 0.00 0.00 46.02 46.42 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 3.56 3.25 -0.18 1.61 2.56 -1.26 -4.92 118.70 123.32 2e9i s GLU 104 Ca 0.88 -0.43 -0.15 0.00 0.00 0.00 0.00 54.97 55.27 2e9i s GLU 104 Cb -0.59 -3.95 -0.07 0.00 2.00 0.00 0.00 34.13 31.52 2e9i s GLU 104 CO 0.45 -0.99 -0.26 0.41 -0.56 0.00 0.00 175.26 174.31 2e9i n GLY 105 N 5.05 -0.68 0.00 -1.50 0.00 -1.26 -5.27 105.19 101.53 2e9i n GLY 105 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2e9i n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93