#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1um7 s SER 2 N 0.00 0.38 -0.12 1.61 0.15 -1.26 -5.13 113.70 109.33 1um7 s SER 2 Ca 0.00 -0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.59 1um7 s SER 2 Cb 0.00 -0.15 0.04 0.00 -1.71 0.00 0.00 66.02 64.20 1um7 s SER 2 CO 0.00 -0.05 0.01 -0.44 1.20 0.00 0.00 173.24 173.96 1um7 s SER 3 N 0.62 2.13 -0.22 5.45 0.01 -1.26 -5.12 113.70 115.31 1um7 s SER 3 Ca -0.06 -0.39 -0.11 0.00 1.31 0.00 0.00 55.95 56.70 1um7 s SER 3 Cb -0.09 -0.51 -0.05 0.00 0.21 0.00 0.00 66.02 65.58 1um7 s SER 3 CO -0.01 -0.24 0.19 -0.83 0.41 0.00 0.00 173.24 172.76 1um7 s GLY 4 N 1.92 2.03 0.66 3.44 0.00 -1.26 -5.07 107.32 109.04 1um7 s GLY 4 Ca 0.03 -0.76 -0.15 0.00 0.00 0.00 0.00 44.72 43.84 1um7 s GLY 4 CO -0.06 0.38 1.12 -0.56 0.00 0.00 0.00 173.10 173.98 1um7 s SER 5 N 0.82 5.03 -0.01 1.64 0.01 -1.26 -4.99 113.70 114.94 1um7 s SER 5 Ca 0.10 2.04 -0.17 0.00 1.31 0.00 0.00 55.95 59.23 1um7 s SER 5 Cb -0.13 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.45 1um7 s SER 5 CO 0.03 -1.69 0.78 0.28 0.41 0.00 0.00 173.24 173.05 1um7 h SER 6 N 0.02 -0.51 0.00 2.44 0.02 -2.08 -3.49 113.55 109.95 1um7 h SER 6 Ca -0.47 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1um7 h SER 6 Cb 1.25 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.92 1um7 h SER 6 CO 0.54 -0.17 0.00 0.61 -1.14 0.00 0.00 176.83 176.67 1um7 n GLY 7 N 0.03 4.10 3.03 -3.77 0.00 -1.26 -5.18 105.19 102.15 1um7 n GLY 7 Ca -0.07 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 1um7 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1um7 s ARG 8 N 4.05 0.47 0.40 1.61 0.52 -1.26 -5.14 118.95 119.59 1um7 s ARG 8 Ca 0.00 -0.60 -0.24 0.00 -0.52 0.00 0.00 55.73 54.37 1um7 s ARG 8 Cb 0.00 -0.28 -0.09 0.00 0.52 0.00 0.00 34.95 35.10 1um7 s ARG 8 CO 0.00 0.05 1.05 -1.25 0.02 0.00 0.00 175.30 175.18 1um7 s PRO 9 N -1.21 4.16 0.14 3.54 0.04 -1.26 -5.06 135.00 135.36 1um7 s PRO 9 Ca -0.08 1.53 -0.00 0.00 0.04 0.00 0.00 61.00 62.49 1um7 s PRO 9 Cb -0.08 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 1um7 s PRO 9 CO 0.00 -0.15 0.04 0.20 0.04 0.00 0.00 177.00 177.14 1um7 s GLY 10 N -1.54 1.04 0.00 0.56 0.00 -1.26 -5.16 107.32 100.96 1um7 s GLY 10 Ca 0.58 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1um7 s GLY 10 CO 0.28 -1.40 0.00 0.61 0.00 0.00 0.00 173.10 172.59 1um7 n GLY 11 N -0.13 2.76 1.93 0.20 0.00 -1.26 -5.01 105.19 103.69 1um7 n GLY 11 Ca -0.06 -0.64 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 1um7 n GLY 11 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1um7 n ASP 12 N 0.00 4.00 -2.41 1.61 9.92 -1.26 -4.91 116.55 123.50 1um7 n ASP 12 Ca 0.00 -3.22 -0.00 0.00 -0.53 0.00 0.00 54.79 51.04 1um7 n ASP 12 Cb 0.00 -0.78 -0.00 0.00 -0.64 0.00 0.00 41.12 39.69 1um7 n ASP 12 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1um7 n ALA 13 N -0.66 -3.39 0.09 2.24 0.00 -1.26 -5.04 120.51 112.49 1um7 n ALA 13 Ca 0.45 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.34 1um7 n ALA 13 Cb 1.28 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1um7 n ALA 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1um7 n ARG 14 N 0.57 0.00 -0.70 0.00 3.00 -1.26 -4.82 116.66 113.46 1um7 n ARG 14 Ca -0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 57.85 57.55 1um7 n ARG 14 Cb 0.03 -0.20 0.12 0.00 0.00 0.00 0.00 32.46 32.42 1um7 n ARG 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1um7 n GLU 15 N -3.38 -1.40 -2.37 5.56 1.02 -1.26 -4.02 120.64 114.79 1um7 n GLU 15 Ca 0.00 -0.41 -0.43 0.00 -0.02 0.00 0.00 57.16 56.30 1um7 n GLU 15 Cb 0.00 -1.43 -0.02 0.00 -0.02 0.00 0.00 31.44 29.97 1um7 n GLU 15 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1um7 s PRO 16 N -3.06 3.81 0.02 3.49 0.04 -1.26 -4.45 135.00 133.60 1um7 s PRO 16 Ca 0.42 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.36 1um7 s PRO 16 Cb -0.04 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.52 1um7 s PRO 16 CO 0.51 -1.26 1.02 -0.98 0.04 0.00 0.00 177.00 176.33 1um7 s ARG 17 N 4.44 4.55 -0.70 4.56 1.70 -0.80 -4.72 118.95 127.97 1um7 s ARG 17 Ca 0.59 1.49 -0.26 0.00 -0.47 0.00 0.00 55.73 57.08 1um7 s ARG 17 Cb -0.17 -3.43 -0.01 0.00 -0.57 0.00 0.00 34.95 30.78 1um7 s ARG 17 CO 0.26 -0.07 1.69 0.21 -1.08 0.00 0.00 175.30 176.32 1um7 s LYS 18 N 0.92 2.82 -0.04 3.89 2.20 -1.26 -3.08 119.74 125.19 1um7 s LYS 18 Ca 0.53 0.19 -0.08 0.00 -0.36 0.00 0.00 55.97 56.24 1um7 s LYS 18 Cb -0.23 -4.46 -0.05 0.00 -1.51 0.00 0.00 37.83 31.59 1um7 s LYS 18 CO 0.28 -2.62 0.25 0.42 -0.36 0.00 0.00 175.35 173.33 1um7 s ILE 19 N 8.06 5.32 -0.44 5.43 1.01 0.55 -4.94 121.20 136.20 1um7 s ILE 19 Ca 0.58 0.32 0.03 0.00 0.00 0.00 0.00 60.65 61.58 1um7 s ILE 19 Cb -0.10 -3.53 0.12 0.00 0.01 0.00 0.00 42.46 38.96 1um7 s ILE 19 CO 0.15 0.51 0.20 -0.63 0.00 0.00 0.00 174.94 175.17 1um7 s ILE 20 N -1.15 1.90 0.08 2.92 1.01 -1.26 0.21 121.20 124.91 1um7 s ILE 20 Ca 0.22 -2.67 -0.23 0.00 0.00 0.00 0.00 60.65 57.98 1um7 s ILE 20 Cb -0.13 -2.35 -0.07 0.00 0.01 0.00 0.00 42.46 39.92 1um7 s ILE 20 CO 0.11 -0.79 0.69 -0.76 0.00 0.00 0.00 174.94 174.19 1um7 s LEU 21 N 0.35 4.51 -0.60 2.97 2.01 -0.76 -4.89 118.68 122.27 1um7 s LEU 21 Ca 0.15 1.41 -0.12 0.00 0.01 0.00 0.00 54.13 55.59 1um7 s LEU 21 Cb -0.23 -3.11 0.15 0.00 0.01 0.00 0.00 46.19 43.01 1um7 s LEU 21 CO -0.04 0.16 0.51 -1.00 1.01 0.00 0.00 176.35 176.99 1um7 s HIS 22 N -0.70 3.46 -0.48 0.29 3.76 -1.25 -2.58 115.29 117.78 1um7 s HIS 22 Ca 0.34 -1.83 -0.43 0.00 -0.15 0.00 0.00 55.06 52.99 1um7 s HIS 22 Cb -0.21 -3.64 -0.18 0.00 1.11 0.00 0.00 32.58 29.66 1um7 s HIS 22 CO 0.22 -0.98 2.11 1.63 -0.85 0.00 0.00 174.74 176.87 1um7 n LYS 23 N 4.61 0.14 0.04 1.40 5.02 -0.61 -4.79 118.16 123.98 1um7 n LYS 23 Ca -0.02 0.04 -0.03 0.00 -2.02 0.00 0.00 58.31 56.28 1um7 n LYS 23 Cb 0.42 -1.62 -0.01 0.00 -0.02 0.00 0.00 35.03 33.80 1um7 n LYS 23 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1um7 h GLY 24 N 9.17 -0.18 0.00 0.72 0.00 -1.90 -3.47 103.07 107.40 1um7 h GLY 24 Ca -0.14 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1um7 h GLY 24 CO 1.07 -0.07 0.00 1.44 0.00 0.00 0.00 176.54 178.99 1um7 n SER 25 N -3.93 -0.24 -0.05 0.19 7.64 -1.26 -4.96 113.62 111.00 1um7 n SER 25 Ca -0.02 0.07 -0.12 0.00 1.01 0.00 0.00 58.87 59.81 1um7 n SER 25 Cb 0.07 0.54 -0.06 0.00 -1.01 0.00 0.00 64.21 63.75 1um7 n SER 25 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1um7 h THR 26 N 0.00 1.26 0.00 0.44 1.35 -2.00 -3.49 112.91 110.47 1um7 h THR 26 Ca 0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1um7 h THR 26 Cb 0.00 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1um7 h THR 26 CO 0.00 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 1um7 n GLY 27 N -0.26 -0.85 0.05 5.82 0.00 -1.26 -4.96 105.19 103.73 1um7 n GLY 27 Ca -0.05 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 45.91 1um7 n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1um7 n LEU 28 N 0.00 0.80 -0.98 0.99 4.77 -1.26 -3.25 117.00 118.07 1um7 n LEU 28 Ca 0.00 -0.23 -0.03 0.00 -0.03 0.00 0.00 56.01 55.72 1um7 n LEU 28 Cb 0.00 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1um7 n LEU 28 CO 0.00 0.19 0.03 0.61 -1.33 0.00 0.00 177.39 176.88 1um7 n GLY 29 N 1.48 0.67 3.64 -0.72 0.00 -1.26 -2.01 105.19 106.99 1um7 n GLY 29 Ca 0.06 -0.53 -0.03 0.00 0.00 0.00 0.00 46.02 45.52 1um7 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1um7 s PHE 30 N -3.04 -0.07 0.47 1.61 -0.12 -1.26 -1.02 117.98 114.55 1um7 s PHE 30 Ca 0.05 0.12 0.07 0.00 -0.05 0.00 0.00 56.93 57.13 1um7 s PHE 30 Cb -0.02 0.49 0.01 0.00 -0.63 0.00 0.00 43.02 42.87 1um7 s PHE 30 CO 0.09 -0.06 0.45 1.21 -0.05 0.00 0.00 175.22 176.86 1um7 s ASN 31 N -0.94 4.99 0.14 1.98 3.84 0.99 -4.94 114.94 121.00 1um7 s ASN 31 Ca 0.08 -0.86 0.04 0.00 0.21 0.00 0.00 52.86 52.33 1um7 s ASN 31 Cb -0.01 -0.23 -0.04 0.00 -0.55 0.00 0.00 41.25 40.42 1um7 s ASN 31 CO -0.08 -0.86 -0.10 0.27 -2.79 0.00 0.00 177.10 173.55 1um7 s ILE 32 N -2.56 1.14 0.31 -5.21 -4.36 -1.26 -2.18 121.20 107.07 1um7 s ILE 32 Ca 0.47 -2.05 0.02 0.00 -0.26 0.00 0.00 60.65 58.83 1um7 s ILE 32 Cb -0.04 -1.83 -0.02 0.00 1.25 0.00 0.00 42.46 41.82 1um7 s ILE 32 CO 0.28 -0.75 0.33 0.68 0.24 0.00 0.00 174.94 175.72 1um7 s VAL 33 N -3.33 0.00 0.00 8.37 -7.23 0.52 -4.49 120.40 114.24 1um7 s VAL 33 Ca 0.16 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 1um7 s VAL 33 Cb 0.03 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.43 1um7 s VAL 33 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1um7 n GLY 34 N -0.53 -1.75 0.31 2.32 0.00 -1.26 -2.05 105.19 102.22 1um7 n GLY 34 Ca 0.04 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1um7 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1um7 n GLY 35 N 0.00 0.91 3.43 -0.02 0.00 -0.77 -3.57 105.19 105.18 1um7 n GLY 35 Ca 0.00 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1um7 n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1um7 s GLU 36 N -0.55 3.54 -1.10 1.61 2.02 -1.26 -4.14 118.70 118.81 1um7 s GLU 36 Ca 0.00 -0.59 -0.09 0.00 0.02 0.00 0.00 54.97 54.31 1um7 s GLU 36 Cb 0.00 -2.80 0.08 0.00 0.10 0.00 0.00 34.13 31.51 1um7 s GLU 36 CO 0.00 0.21 0.36 -0.25 0.02 0.00 0.00 175.26 175.60 1um7 n ASP 37 N 3.60 -2.86 -4.00 -0.19 9.92 -1.26 -0.42 116.55 121.34 1um7 n ASP 37 Ca -0.18 -0.29 -0.32 0.00 -0.53 0.00 0.00 54.79 53.47 1um7 n ASP 37 Cb 0.52 -2.42 -0.02 0.00 -0.64 0.00 0.00 41.12 38.57 1um7 n ASP 37 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1um7 n GLY 38 N -0.98 -0.47 0.09 0.44 0.00 -1.26 -4.86 105.19 98.15 1um7 n GLY 38 Ca -0.00 0.25 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 1um7 n GLY 38 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1um7 h GLU 39 N -1.99 0.13 0.00 1.61 4.11 -1.06 -3.46 114.58 113.92 1um7 h GLU 39 Ca -0.66 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 58.55 1um7 h GLU 39 Cb 1.38 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1um7 h GLU 39 CO 0.59 0.94 0.00 0.41 0.07 0.00 0.00 179.01 181.03 1um7 n GLY 40 N 1.57 1.00 3.03 1.06 0.00 -1.25 -5.02 105.19 105.58 1um7 n GLY 40 Ca -0.13 -1.93 -0.19 0.00 0.00 0.00 0.00 46.02 43.77 1um7 n GLY 40 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1um7 s ILE 41 N -1.62 0.74 0.01 -0.61 -1.09 -1.26 -1.84 121.20 115.53 1um7 s ILE 41 Ca 0.00 -0.44 -0.11 0.00 -2.23 0.00 0.00 60.65 57.87 1um7 s ILE 41 Cb 0.00 -0.63 0.01 0.00 -1.58 0.00 0.00 42.46 40.26 1um7 s ILE 41 CO 0.00 0.18 0.22 -0.36 -1.23 0.00 0.00 174.94 173.75 1um7 s PHE 42 N -0.27 -0.03 0.24 3.97 0.40 -0.87 0.42 117.98 121.84 1um7 s PHE 42 Ca 0.03 -0.06 -0.30 0.00 -0.60 0.00 0.00 56.93 56.00 1um7 s PHE 42 Cb -0.04 0.01 -0.09 0.00 0.51 0.00 0.00 43.02 43.41 1um7 s PHE 42 CO -0.00 -0.38 1.33 0.08 0.70 0.00 0.00 175.22 176.94 1um7 s VAL 43 N -1.85 3.02 -0.12 -0.44 1.01 0.12 0.20 120.40 122.33 1um7 s VAL 43 Ca -0.10 0.88 0.15 0.00 0.00 0.00 0.00 61.98 62.91 1um7 s VAL 43 Cb -0.04 -3.56 -0.24 0.00 0.00 0.00 0.00 36.38 32.54 1um7 s VAL 43 CO 0.00 0.15 0.36 -1.54 0.00 0.00 0.00 175.10 174.07 1um7 n SER 44 N 2.19 0.43 -3.63 3.32 3.41 -0.93 -3.89 113.62 114.52 1um7 n SER 44 Ca 0.05 0.20 -0.06 0.00 -0.26 0.00 0.00 58.87 58.80 1um7 n SER 44 Cb 0.42 0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 64.83 1um7 n SER 44 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1um7 s PHE 45 N -2.54 -0.25 -0.10 7.33 5.36 -1.26 -4.93 117.98 121.59 1um7 s PHE 45 Ca -0.07 0.01 -0.02 0.00 -0.96 0.00 0.00 56.93 55.89 1um7 s PHE 45 Cb 0.07 0.60 0.04 0.00 -0.34 0.00 0.00 43.02 43.38 1um7 s PHE 45 CO 0.83 -0.73 0.01 0.42 -1.46 0.00 0.00 175.22 174.29 1um7 s ILE 46 N -3.28 0.38 0.70 3.12 -1.09 -1.26 -0.01 121.20 119.76 1um7 s ILE 46 Ca 0.08 -0.04 -0.16 0.00 -2.23 0.00 0.00 60.65 58.30 1um7 s ILE 46 Cb -0.01 -0.64 -0.01 0.00 -1.58 0.00 0.00 42.46 40.21 1um7 s ILE 46 CO -0.03 0.12 0.90 -0.11 -1.23 0.00 0.00 174.94 174.59 1um7 n LEU 47 N 5.13 3.13 -4.50 2.97 7.94 -0.19 -4.90 117.00 126.59 1um7 n LEU 47 Ca -0.07 0.68 -0.43 0.00 -1.11 0.00 0.00 56.01 55.07 1um7 n LEU 47 Cb 0.49 -1.37 -0.07 0.00 0.53 0.00 0.00 43.42 43.00 1um7 n LEU 47 CO 0.11 -2.18 0.29 0.00 -1.11 0.00 0.00 177.39 174.51 1um7 s ALA 48 N -1.78 3.37 0.00 1.96 0.00 -1.26 -3.67 121.76 120.38 1um7 s ALA 48 Ca 0.73 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1um7 s ALA 48 Cb -0.36 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1um7 s ALA 48 CO 0.51 -1.75 0.00 0.41 0.00 0.00 0.00 175.76 174.93 1um7 n GLY 49 N 5.07 0.40 2.77 0.00 0.00 -1.26 -5.08 105.19 107.09 1um7 n GLY 49 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1um7 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1um7 n GLY 50 N -1.53 -2.89 0.16 -0.02 0.00 -1.24 -4.54 105.19 95.12 1um7 n GLY 50 Ca 0.00 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 1um7 n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1um7 h PRO 51 N 0.00 0.35 0.00 1.61 0.13 -1.86 0.95 132.00 133.18 1um7 h PRO 51 Ca -0.33 -0.34 -0.02 0.00 -0.87 0.00 0.00 66.00 64.44 1um7 h PRO 51 Cb 1.02 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1um7 h PRO 51 CO 0.21 1.01 -0.09 0.00 -0.23 0.00 0.00 178.00 178.90 1um7 h ALA 52 N 0.88 1.02 0.00 -0.56 0.00 -1.59 0.43 119.26 119.44 1um7 h ALA 52 Ca -0.05 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.51 1um7 h ALA 52 Cb 1.46 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 1um7 h ALA 52 CO 0.14 0.12 -1.70 -3.47 0.00 0.00 0.00 179.25 174.34 1um7 n ASP 53 N -3.23 1.91 0.08 0.00 -0.08 -1.12 -2.96 116.55 111.16 1um7 n ASP 53 Ca 0.00 0.39 -0.12 0.00 -1.51 0.00 0.00 54.79 53.56 1um7 n ASP 53 Cb 0.36 -0.85 -0.05 0.00 2.34 0.00 0.00 41.12 42.92 1um7 n ASP 53 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1um7 h LEU 54 N -1.00 -0.80 -0.89 -2.67 3.38 0.90 -0.67 115.31 113.56 1um7 h LEU 54 Ca -0.40 0.10 0.36 0.00 0.09 0.00 0.00 57.88 58.03 1um7 h LEU 54 Cb 1.30 0.32 -0.15 0.00 0.09 0.00 0.00 40.66 42.21 1um7 h LEU 54 CO -0.24 -0.35 0.50 -0.24 0.09 0.00 0.00 178.44 178.19 1um7 n SER 55 N -5.39 0.28 0.00 -0.43 2.88 0.14 -4.71 113.62 106.40 1um7 n SER 55 Ca -0.06 1.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.87 1um7 n SER 55 Cb 0.30 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 1um7 n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1um7 n GLY 56 N -1.25 0.62 0.20 0.46 0.00 -0.26 -4.92 105.19 100.04 1um7 n GLY 56 Ca 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.34 1um7 n GLY 56 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1um7 n GLU 57 N -2.76 0.02 -1.71 1.61 -0.58 -1.26 -4.97 120.64 111.00 1um7 n GLU 57 Ca 0.00 0.01 -0.43 0.00 -0.42 0.00 0.00 57.16 56.32 1um7 n GLU 57 Cb 0.00 -0.45 -0.03 0.00 -0.57 0.00 0.00 31.44 30.39 1um7 n GLU 57 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1um7 n LEU 58 N -2.60 3.74 -3.86 -4.62 7.94 -1.15 -4.99 117.00 111.47 1um7 n LEU 58 Ca -0.01 1.11 -0.11 0.00 -1.11 0.00 0.00 56.01 55.88 1um7 n LEU 58 Cb 0.02 -1.52 -0.11 0.00 0.53 0.00 0.00 43.42 42.34 1um7 n LEU 58 CO 0.01 -0.05 -0.20 -0.13 -1.11 0.00 0.00 177.39 175.90 1um7 s ARG 59 N 0.34 0.33 -0.59 1.96 0.52 -1.26 -4.39 118.95 115.86 1um7 s ARG 59 Ca 0.71 -0.17 -0.30 0.00 -0.52 0.00 0.00 55.73 55.46 1um7 s ARG 59 Cb -0.57 0.14 -0.12 0.00 0.52 0.00 0.00 34.95 34.92 1um7 s ARG 59 CO 0.41 -0.07 2.43 -2.13 0.02 0.00 0.00 175.30 175.97 1um7 n ARG 60 N 2.12 0.78 0.00 3.54 0.63 -1.26 -2.72 116.66 119.76 1um7 n ARG 60 Ca -0.18 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 1um7 n ARG 60 Cb 0.57 -2.63 0.00 0.00 0.45 0.00 0.00 32.46 30.85 1um7 n ARG 60 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1um7 n GLY 61 N 6.29 0.90 3.21 5.14 0.00 -1.25 -4.90 105.19 114.57 1um7 n GLY 61 Ca 0.46 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 1um7 n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1um7 s ASP 62 N -0.92 2.66 -0.32 1.61 1.11 -1.10 -2.18 116.67 117.52 1um7 s ASP 62 Ca 0.00 -0.44 -0.25 0.00 0.18 0.00 0.00 52.55 52.04 1um7 s ASP 62 Cb 0.00 -0.71 0.01 0.00 1.07 0.00 0.00 42.92 43.29 1um7 s ASP 62 CO 0.00 0.21 0.87 -0.60 1.18 0.00 0.00 175.17 176.83 1um7 s ARG 63 N -0.10 3.95 -0.19 8.23 3.52 0.30 0.14 118.95 134.80 1um7 s ARG 63 Ca -0.03 0.67 -0.29 0.00 -0.13 0.00 0.00 55.73 55.95 1um7 s ARG 63 Cb -0.13 -3.75 -0.01 0.00 -1.56 0.00 0.00 34.95 29.51 1um7 s ARG 63 CO 0.03 -0.78 1.24 0.42 -0.81 0.00 0.00 175.30 175.40 1um7 s ILE 64 N 3.20 4.31 -0.17 4.11 -1.09 0.17 0.12 121.20 131.84 1um7 s ILE 64 Ca 0.36 1.57 -0.14 0.00 -2.23 0.00 0.00 60.65 60.21 1um7 s ILE 64 Cb -0.13 -4.05 -0.08 0.00 -1.58 0.00 0.00 42.46 36.61 1um7 s ILE 64 CO 0.14 -0.18 -0.12 0.18 -1.23 0.00 0.00 174.94 173.73 1um7 n LEU 65 N 6.71 1.85 -4.01 2.97 7.99 0.65 -4.13 117.00 129.03 1um7 n LEU 65 Ca 0.14 0.52 -0.08 0.00 -0.01 0.00 0.00 56.01 56.58 1um7 n LEU 65 Cb 0.45 -0.87 -0.09 0.00 -0.11 0.00 0.00 43.42 42.80 1um7 n LEU 65 CO 0.56 -0.18 -0.24 -0.94 -1.51 0.00 0.00 177.39 175.08 1um7 s SER 66 N -6.18 0.32 -0.20 -1.43 1.04 -0.85 -1.99 113.70 104.41 1um7 s SER 66 Ca -0.22 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 55.32 1um7 s SER 66 Cb 0.04 0.27 0.04 0.00 0.10 0.00 0.00 66.02 66.48 1um7 s SER 66 CO 0.36 -0.68 -0.10 -0.69 0.98 0.00 0.00 173.24 173.11 1um7 s VAL 67 N -3.92 1.69 -1.74 5.02 1.01 -0.66 -1.77 120.40 120.03 1um7 s VAL 67 Ca 0.09 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 1um7 s VAL 67 Cb 0.07 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1um7 s VAL 67 CO -0.08 0.16 0.07 -3.20 0.00 0.00 0.00 175.10 172.05 1um7 n ASN 68 N 4.66 -5.91 -0.48 3.32 2.85 0.56 -1.77 115.26 118.50 1um7 n ASN 68 Ca -0.15 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.27 1um7 n ASN 68 Cb 0.46 -4.89 0.00 0.00 1.24 0.00 0.00 39.78 36.59 1um7 n ASN 68 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1um7 n GLY 69 N -1.08 0.93 3.04 8.20 0.00 -1.24 -4.83 105.19 110.22 1um7 n GLY 69 Ca -0.23 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 1um7 n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1um7 s VAL 70 N -2.95 1.77 0.04 1.61 1.01 -0.73 -5.08 120.40 116.07 1um7 s VAL 70 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 1um7 s VAL 70 Cb 0.00 -1.71 -0.09 0.00 0.00 0.00 0.00 36.38 34.58 1um7 s VAL 70 CO 0.00 0.36 1.94 0.21 0.00 0.00 0.00 175.10 177.61 1um7 s ASN 71 N 1.38 6.46 -0.00 3.32 2.47 -1.26 -1.65 114.94 125.66 1um7 s ASN 71 Ca 0.02 2.66 0.00 0.00 0.42 0.00 0.00 52.86 55.97 1um7 s ASN 71 Cb -0.14 -2.53 0.01 0.00 -1.45 0.00 0.00 41.25 37.13 1um7 s ASN 71 CO -0.10 -1.05 0.75 0.18 -3.72 0.00 0.00 177.10 173.16 1um7 n LEU 72 N 7.39 0.11 -0.38 3.21 4.77 -0.84 -4.90 117.00 126.35 1um7 n LEU 72 Ca 0.20 -0.57 -0.02 0.00 -0.03 0.00 0.00 56.01 55.59 1um7 n LEU 72 Cb 0.41 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1um7 n LEU 72 CO 0.67 0.14 0.58 0.03 -1.33 0.00 0.00 177.39 177.48 1um7 h ARG 73 N 0.00 -0.01 -2.27 3.23 3.08 -1.72 -1.63 114.38 115.07 1um7 h ARG 73 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1um7 h ARG 73 Cb 1.17 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.80 1um7 h ARG 73 CO 0.00 -0.00 -0.60 0.09 -1.07 0.00 0.00 179.97 178.39 1um7 n ASN 74 N -5.46 4.36 -4.47 7.04 3.02 -1.26 -3.97 115.26 114.52 1um7 n ASN 74 Ca 0.09 -3.63 -0.28 0.00 -0.03 0.00 0.00 54.58 50.73 1um7 n ASN 74 Cb 0.39 -0.60 -0.11 0.00 -0.61 0.00 0.00 39.78 38.84 1um7 n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1um7 s ALA 75 N -3.23 2.62 0.71 5.41 0.00 -0.61 -4.83 121.76 121.83 1um7 s ALA 75 Ca 0.46 -1.45 -0.15 0.00 0.00 0.00 0.00 51.96 50.83 1um7 s ALA 75 Cb 0.24 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.85 1um7 s ALA 75 CO -0.10 0.53 1.17 0.95 0.00 0.00 0.00 175.76 178.31 1um7 s THR 76 N -1.30 2.63 0.27 0.00 -4.23 -1.26 -3.87 115.64 107.88 1um7 s THR 76 Ca 0.19 0.30 -0.01 0.00 -1.18 0.00 0.00 61.69 60.99 1um7 s THR 76 Cb -0.10 -2.83 0.29 0.00 1.34 0.00 0.00 72.50 71.20 1um7 s THR 76 CO 0.10 -0.18 1.66 -0.74 -0.54 0.00 0.00 174.62 174.92 1um7 h HIS 77 N -0.25 0.29 0.18 3.99 2.76 -1.72 0.19 115.15 120.59 1um7 h HIS 77 Ca -0.47 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 57.74 1um7 h HIS 77 Cb 1.28 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.24 1um7 h HIS 77 CO 0.50 -0.17 -0.09 1.49 -1.30 0.00 0.00 177.93 178.36 1um7 h GLU 78 N 0.22 -0.23 -0.38 5.26 4.81 -1.90 -0.68 114.58 121.69 1um7 h GLU 78 Ca 0.50 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.85 1um7 h GLU 78 Cb 0.95 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1um7 h GLU 78 CO -0.62 -0.03 0.41 1.96 -0.73 0.00 0.00 179.01 180.00 1um7 h GLN 79 N -0.40 0.00 0.00 1.92 4.20 -1.21 1.75 115.11 121.37 1um7 h GLN 79 Ca -0.02 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 1um7 h GLN 79 Cb 0.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1um7 h GLN 79 CO 0.04 0.00 -0.74 0.00 -0.67 0.00 0.00 178.83 177.46 1um7 h ALA 80 N 1.54 0.70 0.06 3.87 0.00 -0.07 -3.20 119.26 122.15 1um7 h ALA 80 Ca 0.18 -0.32 -0.27 0.00 0.00 0.00 0.00 54.91 54.50 1um7 h ALA 80 Cb 0.99 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1um7 h ALA 80 CO -0.00 0.38 -1.45 0.00 0.00 0.00 0.00 179.25 178.18 1um7 h ALA 81 N 1.73 0.28 -0.34 0.00 0.00 0.30 -3.33 119.26 117.90 1um7 h ALA 81 Ca -0.04 -1.21 0.10 0.00 0.00 0.00 0.00 54.91 53.76 1um7 h ALA 81 Cb 1.24 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 1um7 h ALA 81 CO 0.03 0.87 0.37 0.00 0.00 0.00 0.00 179.25 180.52 1um7 h ALA 82 N -0.23 2.04 0.00 0.00 0.00 0.19 1.40 119.26 122.66 1um7 h ALA 82 Ca -0.35 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1um7 h ALA 82 Cb 1.59 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1um7 h ALA 82 CO -0.06 -0.55 -0.12 0.00 0.00 0.00 0.00 179.25 178.51 1um7 h ALA 83 N 1.59 1.01 0.00 0.00 0.00 -1.66 -1.11 119.26 119.08 1um7 h ALA 83 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1um7 h ALA 83 Cb 0.90 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1um7 h ALA 83 CO -0.00 0.16 -0.75 1.28 0.00 0.00 0.00 179.25 179.94 1um7 n LEU 84 N -3.25 0.64 0.06 0.00 7.99 0.47 -3.00 117.00 119.91 1um7 n LEU 84 Ca 0.01 0.11 0.06 0.00 -0.01 0.00 0.00 56.01 56.18 1um7 n LEU 84 Cb 0.39 -0.16 -0.06 0.00 -0.11 0.00 0.00 43.42 43.49 1um7 n LEU 84 CO 0.31 0.00 -0.22 0.29 -1.51 0.00 0.00 177.39 176.26 1um7 n LYS 85 N -1.98 0.62 0.00 3.23 4.01 -0.76 -3.78 118.16 119.50 1um7 n LYS 85 Ca 0.03 0.13 0.12 0.00 -0.51 0.00 0.00 58.31 58.07 1um7 n LYS 85 Cb 0.42 -1.78 0.17 0.00 -0.51 0.00 0.00 35.03 33.33 1um7 n LYS 85 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 1um7 n ARG 86 N -2.72 0.07 0.00 1.97 -4.01 -0.49 -4.86 116.66 106.61 1um7 n ARG 86 Ca -0.05 -0.05 0.00 0.00 -1.04 0.00 0.00 57.85 56.71 1um7 n ARG 86 Cb 0.69 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.61 1um7 n ARG 86 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1um7 n ALA 87 N -1.42 0.00 -2.00 2.89 0.00 -1.16 -5.09 120.51 113.73 1um7 n ALA 87 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1um7 n ALA 87 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1um7 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1um7 n GLY 88 N 2.96 1.64 0.09 0.00 0.00 -1.26 -5.05 105.19 103.57 1um7 n GLY 88 Ca 0.00 0.27 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 1um7 n GLY 88 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1um7 h GLN 89 N 0.00 0.00 -4.21 1.61 4.20 -1.92 -3.41 115.11 111.38 1um7 h GLN 89 Ca 0.00 0.00 -0.75 0.00 0.06 0.00 0.00 58.65 57.96 1um7 h GLN 89 Cb 0.00 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 27.55 1um7 h GLN 89 CO 0.00 0.68 0.10 -1.12 -0.67 0.00 0.00 178.83 177.82 1um7 s SER 90 N -6.47 6.48 -0.14 1.46 0.01 -1.26 -1.57 113.70 112.21 1um7 s SER 90 Ca -0.24 -2.12 -0.03 0.00 1.31 0.00 0.00 55.95 54.87 1um7 s SER 90 Cb 0.04 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 64.00 1um7 s SER 90 CO 0.47 -0.81 -0.04 -0.69 0.41 0.00 0.00 173.24 172.57 1um7 s VAL 91 N 1.34 3.86 -0.58 3.43 1.01 -1.06 -5.01 120.40 123.39 1um7 s VAL 91 Ca 0.14 -0.38 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 1um7 s VAL 91 Cb -0.18 -2.67 0.10 0.00 0.00 0.00 0.00 36.38 33.63 1um7 s VAL 91 CO -0.03 0.52 0.68 -0.89 0.00 0.00 0.00 175.10 175.38 1um7 s THR 92 N 0.11 4.86 -0.40 3.92 2.01 -1.26 -1.83 115.64 123.05 1um7 s THR 92 Ca -0.01 -0.97 -0.17 0.00 0.31 0.00 0.00 61.69 60.84 1um7 s THR 92 Cb -0.14 -4.45 0.01 0.00 0.01 0.00 0.00 72.50 67.94 1um7 s THR 92 CO 0.03 -1.06 0.46 -0.63 -0.69 0.00 0.00 174.62 172.72 1um7 s ILE 93 N 2.59 5.06 -0.49 1.82 1.09 0.57 0.21 121.20 132.04 1um7 s ILE 93 Ca 0.11 -0.15 -0.13 0.00 -1.10 0.00 0.00 60.65 59.38 1um7 s ILE 93 Cb -0.24 -4.02 0.11 0.00 -1.06 0.00 0.00 42.46 37.26 1um7 s ILE 93 CO 0.07 -0.37 0.40 -0.69 -0.10 0.00 0.00 174.94 174.25 1um7 s VAL 94 N 2.23 4.74 0.06 2.92 1.01 -0.73 -0.33 120.40 130.31 1um7 s VAL 94 Ca 0.14 -1.52 0.03 0.00 0.00 0.00 0.00 61.98 60.63 1um7 s VAL 94 Cb -0.16 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1um7 s VAL 94 CO 0.14 -0.75 -0.09 0.00 0.00 0.00 0.00 175.10 174.40 1um7 s ALA 95 N 1.50 0.82 0.35 5.51 0.00 -1.18 -0.26 121.76 128.50 1um7 s ALA 95 Ca 0.04 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 51.02 1um7 s ALA 95 Cb -0.27 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 1um7 s ALA 95 CO 0.02 0.00 0.64 -0.65 0.00 0.00 0.00 175.76 175.77 1um7 s GLN 96 N -1.97 3.65 -1.09 0.00 -0.21 0.33 -1.91 119.66 118.46 1um7 s GLN 96 Ca -0.04 0.12 -0.06 0.00 0.02 0.00 0.00 55.36 55.39 1um7 s GLN 96 Cb -0.08 -2.55 0.29 0.00 1.00 0.00 0.00 33.01 31.67 1um7 s GLN 96 CO 0.00 0.09 1.28 0.98 -2.12 0.00 0.00 175.29 175.53 1um7 n TYR 97 N -1.26 3.84 -3.93 0.91 4.19 -1.26 0.11 117.16 119.76 1um7 n TYR 97 Ca -0.01 -3.30 -0.31 0.00 3.31 0.00 0.00 57.90 57.60 1um7 n TYR 97 Cb 0.54 -1.47 -0.14 0.00 0.49 0.00 0.00 39.34 38.76 1um7 n TYR 97 CO 0.00 0.00 0.00 0.50 0.91 0.00 0.00 176.86 178.27 1um7 s ARG 98 N -2.01 2.02 0.32 2.98 3.52 -0.92 -4.91 118.95 119.95 1um7 s ARG 98 Ca 0.31 -2.62 0.26 0.00 -0.13 0.00 0.00 55.73 53.55 1um7 s ARG 98 Cb -0.03 -3.35 0.89 0.00 -1.56 0.00 0.00 34.95 30.90 1um7 s ARG 98 CO 0.01 -1.11 1.77 -1.00 -0.81 0.00 0.00 175.30 174.15 1um7 h PRO 99 N 6.53 0.00 -0.33 5.12 0.13 -1.83 -2.89 132.00 138.73 1um7 h PRO 99 Ca -0.07 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.91 1um7 h PRO 99 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1um7 h PRO 99 CO 0.69 0.00 -0.38 0.93 -0.23 0.00 0.00 178.00 179.01 1um7 h GLU 100 N 0.00 0.79 0.09 0.86 5.08 -1.91 -2.83 114.58 116.67 1um7 h GLU 100 Ca 0.00 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1um7 h GLU 100 Cb 0.62 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1um7 h GLU 100 CO 0.00 1.03 -0.05 0.93 -1.00 0.00 0.00 179.01 179.93 1um7 h GLU 101 N 0.65 -0.12 -1.34 2.33 4.39 -1.91 -3.27 114.58 115.30 1um7 h GLU 101 Ca 0.06 0.01 0.43 0.00 0.34 0.00 0.00 59.36 60.19 1um7 h GLU 101 Cb 0.94 0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 29.50 1um7 h GLU 101 CO 0.09 0.31 0.88 -0.92 -1.16 0.00 0.00 179.01 178.21 1um7 h TYR 102 N -0.95 0.47 -1.20 4.33 3.20 -1.59 1.17 116.97 122.40 1um7 h TYR 102 Ca -0.01 0.02 0.34 0.00 3.14 0.00 0.00 58.73 62.22 1um7 h TYR 102 Cb 0.49 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 1um7 h TYR 102 CO 0.10 -0.16 0.85 0.66 -1.64 0.00 0.00 178.16 177.97 1um7 h SER 103 N 0.10 0.09 -0.04 -2.11 4.64 -1.55 1.62 113.55 116.30 1um7 h SER 103 Ca 0.80 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 62.15 1um7 h SER 103 Cb 2.57 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 64.66 1um7 h SER 103 CO -0.36 0.01 0.05 0.08 -0.87 0.00 0.00 176.83 175.74 1um7 h ARG 104 N 0.07 0.00 0.00 4.77 0.11 0.12 -2.36 114.38 117.09 1um7 h ARG 104 Ca 0.60 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 60.36 1um7 h ARG 104 Cb 2.21 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 33.25 1um7 h ARG 104 CO -0.07 0.00 -1.74 1.19 0.10 0.00 0.00 179.97 179.44 1um7 n PHE 105 N -3.64 0.58 -0.51 4.08 3.72 0.55 -3.50 117.46 118.74 1um7 n PHE 105 Ca -0.02 0.25 0.42 0.00 -0.05 0.00 0.00 57.45 58.05 1um7 n PHE 105 Cb 0.14 -1.03 0.74 0.00 -0.94 0.00 0.00 39.48 38.39 1um7 n PHE 105 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1um7 h GLU 106 N -1.00 0.04 0.06 -1.08 -0.00 -1.13 0.79 114.58 112.26 1um7 h GLU 106 Ca -0.47 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 58.88 1um7 h GLU 106 Cb 1.39 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 30.13 1um7 h GLU 106 CO -0.28 0.03 -0.03 1.03 -0.00 0.00 0.00 179.01 179.76 1um7 h SER 107 N 0.05 -0.07 -4.11 3.06 0.87 -1.60 -3.51 113.55 108.24 1um7 h SER 107 Ca 0.79 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 61.30 1um7 h SER 107 Cb 2.92 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 64.84 1um7 h SER 107 CO -0.14 0.45 -0.85 -1.20 -0.53 0.00 0.00 176.83 174.56 1um7 n SER 108 N -4.82 -2.27 0.00 6.23 7.64 0.27 -4.88 113.62 115.78 1um7 n SER 108 Ca -0.02 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.72 1um7 n SER 108 Cb 0.06 -3.46 0.00 0.00 -1.01 0.00 0.00 64.21 59.79 1um7 n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1um7 n GLY 109 N 1.01 0.73 3.80 0.23 0.00 -1.26 -4.79 105.19 104.90 1um7 n GLY 109 Ca -0.19 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 1um7 n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1um7 s PRO 110 N 0.00 1.66 0.19 1.61 0.04 -1.26 -5.04 135.00 132.21 1um7 s PRO 110 Ca 0.00 0.48 -0.19 0.00 0.04 0.00 0.00 61.00 61.33 1um7 s PRO 110 Cb 0.00 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.58 1um7 s PRO 110 CO 0.00 -1.88 0.68 0.45 0.04 0.00 0.00 177.00 176.30 1um7 s SER 111 N -3.97 7.03 0.21 6.66 0.15 -1.26 -5.07 113.70 117.45 1um7 s SER 111 Ca 0.62 1.35 -0.15 0.00 0.70 0.00 0.00 55.95 58.48 1um7 s SER 111 Cb -0.15 -2.39 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 1um7 s SER 111 CO 0.54 0.07 0.48 -0.44 1.20 0.00 0.00 173.24 175.09 1um7 s SER 112 N -1.60 -0.16 0.00 5.45 0.01 -1.26 -5.24 113.70 110.89 1um7 s SER 112 Ca 0.41 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1um7 s SER 112 Cb -0.17 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.62 1um7 s SER 112 CO 0.21 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 173.41