#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 1.05 -0.30 1.61 1.04 -1.26 -5.13 113.70 110.70 1um7 s SER 2 Ca 0.00 -1.35 -0.03 0.00 0.48 0.00 0.00 55.95 55.05 1um7 s SER 2 Cb 0.00 0.19 0.11 0.00 0.10 0.00 0.00 66.02 66.41 1um7 s SER 2 CO 0.00 -0.72 0.15 -0.55 0.98 0.00 0.00 173.24 173.10 1um7 s SER 3 N -3.27 3.35 0.00 7.02 0.15 -1.26 -5.13 113.70 114.57 1um7 s SER 3 Ca 0.36 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.54 1um7 s SER 3 Cb 0.07 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1um7 s SER 3 CO 0.12 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1um7 n GLY 4 N 4.99 1.03 3.64 9.45 0.00 -1.26 -5.14 105.19 117.91 1um7 n GLY 4 Ca -0.02 -1.63 -0.02 0.00 0.00 0.00 0.00 46.02 44.35 1um7 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1um7 s SER 5 N -1.00 -0.03 0.00 1.61 0.15 -1.26 -5.19 113.70 107.98 1um7 s SER 5 Ca 0.00 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1um7 s SER 5 Cb 0.00 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1um7 s SER 5 CO 0.00 -0.03 0.00 -1.20 1.20 0.00 0.00 173.24 173.21 1um7 n SER 6 N 0.44 0.00 -4.66 5.45 7.64 -1.26 -5.13 113.62 116.11 1um7 n SER 6 Ca 0.01 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.49 1um7 n SER 6 Cb 0.59 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.72 1um7 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1um7 s GLY 7 N 0.00 2.03 0.09 0.23 0.00 -1.26 -5.06 107.32 103.35 1um7 s GLY 7 Ca 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 44.72 44.28 1um7 s GLY 7 CO 0.00 1.19 0.36 0.50 0.00 0.00 0.00 173.10 175.15 1um7 s ARG 8 N 1.83 3.65 0.00 2.90 0.52 -1.26 -5.10 118.95 121.49 1um7 s ARG 8 Ca 0.26 -0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.46 1um7 s ARG 8 Cb -0.16 -2.95 0.00 0.00 0.52 0.00 0.00 34.95 32.37 1um7 s ARG 8 CO 0.10 0.54 0.00 -0.35 0.02 0.00 0.00 175.30 175.61 1um7 n PRO 9 N 0.57 0.37 0.00 3.54 -0.04 -1.26 -5.11 135.00 133.07 1um7 n PRO 9 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1um7 n PRO 9 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1um7 n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1um7 n GLY 10 N 3.75 6.12 0.00 0.55 0.00 -1.26 -5.18 105.19 109.17 1um7 n GLY 10 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1um7 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1um7 n GLY 11 N 4.91 3.86 0.46 -0.02 0.00 -1.26 -5.05 105.19 108.09 1um7 n GLY 11 Ca 0.00 -1.40 0.07 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.63 2.00 -1.94 1.61 8.00 -1.26 -4.99 116.55 118.34 1um7 n ASP 12 Ca 0.00 -3.61 -0.02 0.00 0.71 0.00 0.00 54.79 51.87 1um7 n ASP 12 Cb 0.00 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 1um7 n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1um7 n ALA 13 N -1.22 -3.05 0.00 2.24 0.00 -1.26 -5.04 120.51 112.19 1um7 n ALA 13 Ca 0.19 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1um7 n ALA 13 Cb 0.69 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.26 0.00 -1.60 0.00 3.00 -1.26 -4.76 116.66 111.77 1um7 n ARG 14 Ca 0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 57.85 57.58 1um7 n ARG 14 Cb 0.11 -0.40 0.16 0.00 0.00 0.00 0.00 32.46 32.33 1um7 n ARG 14 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1um7 s GLU 15 N -1.59 0.78 -0.33 5.56 2.02 -1.26 -4.34 118.70 119.53 1um7 s GLU 15 Ca 0.00 0.06 -0.29 0.00 0.02 0.00 0.00 54.97 54.76 1um7 s GLU 15 Cb 0.00 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.41 1um7 s GLU 15 CO 0.00 -2.39 1.37 -1.25 0.02 0.00 0.00 175.26 173.00 1um7 s PRO 16 N -5.47 3.79 0.85 0.39 0.04 -1.26 -4.38 135.00 128.95 1um7 s PRO 16 Ca 0.67 1.18 -0.11 0.00 0.04 0.00 0.00 61.00 62.78 1um7 s PRO 16 Cb -0.11 -3.94 0.14 0.00 0.04 0.00 0.00 34.50 30.63 1um7 s PRO 16 CO 0.53 -1.28 1.18 -0.98 0.04 0.00 0.00 177.00 176.49 1um7 s ARG 17 N 4.47 1.33 -0.20 4.56 1.70 0.85 -4.73 118.95 126.92 1um7 s ARG 17 Ca 0.59 -0.42 -0.09 0.00 -0.47 0.00 0.00 55.73 55.35 1um7 s ARG 17 Cb -0.16 -2.01 -0.04 0.00 -0.57 0.00 0.00 34.95 32.16 1um7 s ARG 17 CO 0.27 -1.89 0.10 0.21 -1.08 0.00 0.00 175.30 172.91 1um7 s LYS 18 N -5.59 4.04 -0.18 3.89 2.20 -1.26 -2.69 119.74 120.15 1um7 s LYS 18 Ca 0.68 -0.30 -0.02 0.00 -0.36 0.00 0.00 55.97 55.97 1um7 s LYS 18 Cb -0.07 -3.35 0.05 0.00 -1.51 0.00 0.00 37.83 32.95 1um7 s LYS 18 CO 0.49 0.21 0.01 0.42 -0.36 0.00 0.00 175.35 176.12 1um7 s ILE 19 N 0.59 0.65 -0.56 5.43 1.01 0.06 -4.99 121.20 123.38 1um7 s ILE 19 Ca 0.06 -0.54 -0.15 0.00 0.00 0.00 0.00 60.65 60.02 1um7 s ILE 19 Cb -0.12 -1.06 0.14 0.00 0.01 0.00 0.00 42.46 41.42 1um7 s ILE 19 CO 0.01 -0.10 0.52 -0.63 0.00 0.00 0.00 174.94 174.73 1um7 s ILE 20 N 1.81 5.19 -0.05 2.92 1.01 -1.26 0.15 121.20 130.98 1um7 s ILE 20 Ca -0.00 -1.61 -0.12 0.00 0.00 0.00 0.00 60.65 58.91 1um7 s ILE 20 Cb -0.16 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 37.93 1um7 s ILE 20 CO -0.07 -0.88 0.32 -0.76 0.00 0.00 0.00 174.94 173.55 1um7 s LEU 21 N 1.45 4.43 -0.47 2.97 1.43 -0.49 -4.92 118.68 123.08 1um7 s LEU 21 Ca 0.05 0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 53.81 1um7 s LEU 21 Cb -0.28 -2.42 0.10 0.00 0.03 0.00 0.00 46.19 43.61 1um7 s LEU 21 CO 0.02 0.33 0.37 -1.00 0.23 0.00 0.00 176.35 176.29 1um7 s HIS 22 N -0.94 3.31 -0.48 0.29 3.76 -1.26 -2.56 115.29 117.42 1um7 s HIS 22 Ca 0.21 -1.39 -0.42 0.00 -0.15 0.00 0.00 55.06 53.30 1um7 s HIS 22 Cb -0.15 -3.32 -0.18 0.00 1.11 0.00 0.00 32.58 30.04 1um7 s HIS 22 CO 0.10 -0.90 2.03 1.63 -0.85 0.00 0.00 174.74 176.75 1um7 n LYS 23 N 5.06 0.00 0.11 1.40 5.02 -0.77 -4.73 118.16 124.25 1um7 n LYS 23 Ca -0.11 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.09 1um7 n LYS 23 Cb 0.42 -1.44 -0.05 0.00 -0.02 0.00 0.00 35.03 33.94 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 8.46 -0.38 0.00 0.72 0.00 -1.88 -3.48 103.07 106.51 1um7 h GLY 24 Ca -0.11 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1um7 h GLY 24 CO 1.04 -0.14 0.00 -1.26 0.00 0.00 0.00 176.54 176.18 1um7 n SER 25 N -5.02 -2.01 -0.03 0.19 2.88 -1.26 -4.98 113.62 103.39 1um7 n SER 25 Ca -0.07 0.58 -0.13 0.00 -1.33 0.00 0.00 58.87 57.92 1um7 n SER 25 Cb 0.23 2.08 -0.11 0.00 -0.75 0.00 0.00 64.21 65.66 1um7 n SER 25 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1um7 h THR 26 N 0.00 1.50 0.00 2.46 1.35 -2.00 -3.50 112.91 112.73 1um7 h THR 26 Ca 0.00 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.37 1um7 h THR 26 Cb 0.00 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1um7 h THR 26 CO 0.00 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 1um7 n GLY 27 N 0.62 1.87 0.03 5.82 0.00 -1.26 -4.98 105.19 107.29 1um7 n GLY 27 Ca -0.09 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 0.41 -0.54 0.99 7.99 -1.26 -2.76 117.00 121.83 1um7 n LEU 28 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 56.01 56.11 1um7 n LEU 28 Cb 0.00 -0.30 0.00 0.00 -0.11 0.00 0.00 43.42 43.01 1um7 n LEU 28 CO 0.00 0.09 0.00 0.61 -1.51 0.00 0.00 177.39 176.58 1um7 n GLY 29 N 1.46 0.84 3.58 -0.72 0.00 -1.26 -1.44 105.19 107.65 1um7 n GLY 29 Ca 0.07 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.83 -0.38 0.50 1.61 -0.12 -1.26 0.74 117.98 116.24 1um7 s PHE 30 Ca 0.00 0.70 0.09 0.00 -0.05 0.00 0.00 56.93 57.67 1um7 s PHE 30 Cb 0.00 0.44 0.04 0.00 -0.63 0.00 0.00 43.02 42.87 1um7 s PHE 30 CO 0.00 -0.33 0.65 1.21 -0.05 0.00 0.00 175.22 176.70 1um7 s ASN 31 N -0.93 5.29 0.02 1.98 3.84 0.86 -4.94 114.94 121.06 1um7 s ASN 31 Ca -0.01 -0.70 -0.03 0.00 0.21 0.00 0.00 52.86 52.33 1um7 s ASN 31 Cb -0.01 -0.14 -0.01 0.00 -0.55 0.00 0.00 41.25 40.53 1um7 s ASN 31 CO 0.01 -1.04 0.04 0.27 -2.79 0.00 0.00 177.10 173.59 1um7 s ILE 32 N -2.53 0.12 0.10 -5.21 -4.36 -1.26 -2.64 121.20 105.42 1um7 s ILE 32 Ca 0.56 -1.01 -0.01 0.00 -0.26 0.00 0.00 60.65 59.94 1um7 s ILE 32 Cb -0.07 -0.61 -0.04 0.00 1.25 0.00 0.00 42.46 42.99 1um7 s ILE 32 CO 0.35 -0.56 0.01 0.68 0.24 0.00 0.00 174.94 175.66 1um7 s VAL 33 N -2.04 0.25 -0.76 8.37 -7.23 0.53 -4.69 120.40 114.84 1um7 s VAL 33 Ca -0.10 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1um7 s VAL 33 Cb -0.05 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 35.07 1um7 s VAL 33 CO -0.02 -0.71 0.00 0.61 -0.31 0.00 0.00 175.10 174.67 1um7 n GLY 34 N -0.02 0.31 1.36 2.32 0.00 -1.26 -0.45 105.19 107.44 1um7 n GLY 34 Ca -0.09 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 2.84 -0.02 0.00 -1.25 -4.33 105.19 103.33 1um7 n GLY 35 Ca 0.00 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.21 1.02 -0.60 1.61 2.02 -1.26 -4.59 118.70 112.69 1um7 s GLU 36 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 54.93 1um7 s GLU 36 Cb 0.00 -1.24 0.00 0.00 0.10 0.00 0.00 34.13 32.99 1um7 s GLU 36 CO 0.00 -0.28 0.00 -3.47 0.02 0.00 0.00 175.26 171.53 1um7 n ASP 37 N 5.01 -2.40 -3.78 -0.19 -0.08 -1.26 0.53 116.55 114.39 1um7 n ASP 37 Ca -0.10 0.30 -0.25 0.00 -1.51 0.00 0.00 54.79 53.23 1um7 n ASP 37 Cb 0.50 -2.18 0.03 0.00 2.34 0.00 0.00 41.12 41.82 1um7 n ASP 37 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1um7 n GLY 38 N -0.55 -0.38 0.17 0.27 0.00 -1.26 -4.87 105.19 98.56 1um7 n GLY 38 Ca -0.08 0.16 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 0.25 0.00 1.61 4.11 -0.23 -3.44 114.58 114.88 1um7 h GLU 39 Ca -0.60 -0.18 0.00 0.00 0.07 0.00 0.00 59.36 58.66 1um7 h GLU 39 Cb 1.37 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1um7 h GLU 39 CO 0.61 0.80 0.00 0.41 0.07 0.00 0.00 179.01 180.89 1um7 n GLY 40 N 0.33 3.96 3.73 1.06 0.00 -1.26 -5.05 105.19 107.96 1um7 n GLY 40 Ca -0.03 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.32 4.63 0.06 -0.61 -1.09 -1.26 -3.95 121.20 116.65 1um7 s ILE 41 Ca 0.00 -0.12 -0.00 0.00 -2.23 0.00 0.00 60.65 58.29 1um7 s ILE 41 Cb 0.00 -2.97 -0.04 0.00 -1.58 0.00 0.00 42.46 37.87 1um7 s ILE 41 CO 0.00 0.60 -0.04 -0.36 -1.23 0.00 0.00 174.94 173.91 1um7 s PHE 42 N -0.86 0.59 0.16 3.97 0.40 0.40 0.16 117.98 122.81 1um7 s PHE 42 Ca 0.13 -0.98 -0.30 0.00 -0.60 0.00 0.00 56.93 55.18 1um7 s PHE 42 Cb -0.12 -0.41 -0.07 0.00 0.51 0.00 0.00 43.02 42.94 1um7 s PHE 42 CO 0.03 -0.31 0.97 0.08 0.70 0.00 0.00 175.22 176.69 1um7 s VAL 43 N -3.62 4.29 -0.23 -0.44 1.01 -1.13 0.20 120.40 120.48 1um7 s VAL 43 Ca 0.06 2.03 0.05 0.00 0.00 0.00 0.00 61.98 64.12 1um7 s VAL 43 Cb 0.06 -4.30 -0.20 0.00 0.00 0.00 0.00 36.38 31.94 1um7 s VAL 43 CO -0.08 0.38 -0.08 -1.54 0.00 0.00 0.00 175.10 173.77 1um7 n SER 44 N 2.29 1.53 -3.80 3.32 3.41 -1.08 -3.98 113.62 115.30 1um7 n SER 44 Ca 0.01 -0.06 -0.09 0.00 -0.26 0.00 0.00 58.87 58.47 1um7 n SER 44 Cb 0.48 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 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 -2.52 -0.12 -0.09 7.33 5.36 -1.26 -4.93 117.98 121.75 1um7 s PHE 45 Ca -0.28 -0.27 -0.01 0.00 -0.96 0.00 0.00 56.93 55.41 1um7 s PHE 45 Cb 0.08 0.53 0.03 0.00 -0.34 0.00 0.00 43.02 43.32 1um7 s PHE 45 CO 0.67 -1.07 -0.00 0.42 -1.46 0.00 0.00 175.22 173.77 1um7 s ILE 46 N -3.91 0.48 0.30 3.12 -1.09 -1.26 -0.10 121.20 118.75 1um7 s ILE 46 Ca 0.11 -0.03 -0.29 0.00 -2.23 0.00 0.00 60.65 58.21 1um7 s ILE 46 Cb -0.03 -0.67 -0.13 0.00 -1.58 0.00 0.00 42.46 40.04 1um7 s ILE 46 CO 0.03 0.21 1.25 -0.11 -1.23 0.00 0.00 174.94 175.08 1um7 n LEU 47 N 5.11 2.95 -4.62 2.97 -0.00 0.23 -4.89 117.00 118.74 1um7 n LEU 47 Ca -0.08 1.18 -0.43 0.00 -0.00 0.00 0.00 56.01 56.69 1um7 n LEU 47 Cb 0.50 -1.41 -0.03 0.00 -0.00 0.00 0.00 43.42 42.47 1um7 n LEU 47 CO 0.12 -0.73 0.83 0.00 -0.00 0.00 0.00 177.39 177.60 1um7 s ALA 48 N -0.81 3.47 0.00 1.96 0.00 -1.26 -2.96 121.76 122.15 1um7 s ALA 48 Ca 0.60 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1um7 s ALA 48 Cb -0.63 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 18.92 1um7 s ALA 48 CO 0.58 -1.49 0.00 0.41 0.00 0.00 0.00 175.76 175.26 1um7 n GLY 49 N 4.12 1.17 2.55 0.00 0.00 -1.26 -5.07 105.19 106.69 1um7 n GLY 49 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.97 -3.01 0.13 -0.02 0.00 -1.16 -4.55 105.19 94.62 1um7 n GLY 50 Ca 0.00 -1.43 -0.07 0.00 0.00 0.00 0.00 46.02 44.52 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 0.17 0.00 1.61 0.13 -1.85 0.47 132.00 132.54 1um7 h PRO 51 Ca -0.30 -0.17 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 1um7 h PRO 51 Cb 0.95 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1um7 h PRO 51 CO 0.19 0.88 -0.40 0.00 -0.23 0.00 0.00 178.00 178.45 1um7 h ALA 52 N 1.06 1.22 0.00 -0.56 0.00 -1.44 0.07 119.26 119.61 1um7 h ALA 52 Ca -0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1um7 h ALA 52 Cb 1.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1um7 h ALA 52 CO 0.12 0.50 -0.60 0.22 0.00 0.00 0.00 179.25 179.49 1um7 h ASP 53 N 0.00 0.00 -0.39 0.00 1.82 -1.69 -3.14 116.42 113.02 1um7 h ASP 53 Ca -0.00 -0.10 0.08 0.00 -0.39 0.00 0.00 57.03 56.61 1um7 h ASP 53 Cb 0.76 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 40.68 1um7 h ASP 53 CO 0.05 0.87 -0.36 -0.07 -1.61 0.00 0.00 179.24 178.12 1um7 h LEU 54 N -1.00 -1.20 -0.98 2.28 3.38 -0.11 0.59 115.31 118.27 1um7 h LEU 54 Ca -0.06 0.20 0.19 0.00 0.09 0.00 0.00 57.88 58.30 1um7 h LEU 54 Cb 0.61 0.55 -0.19 0.00 0.09 0.00 0.00 40.66 41.72 1um7 h LEU 54 CO -0.04 -0.34 -0.25 -0.24 0.09 0.00 0.00 178.44 177.66 1um7 n SER 55 N -5.42 -0.36 0.00 -0.43 2.88 0.01 -4.78 113.62 105.53 1um7 n SER 55 Ca 0.00 1.68 0.00 0.00 -1.33 0.00 0.00 58.87 59.23 1um7 n SER 55 Cb 0.34 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 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 -1.61 0.87 0.13 0.46 0.00 0.20 -4.89 105.19 100.34 1um7 n GLY 56 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.00 0.63 -2.84 1.61 -0.58 -1.26 -4.87 120.64 111.33 1um7 n GLU 57 Ca 0.00 0.36 -0.42 0.00 -0.42 0.00 0.00 57.16 56.68 1um7 n GLU 57 Cb 0.00 -1.64 -0.04 0.00 -0.57 0.00 0.00 31.44 29.20 1um7 n GLU 57 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1um7 s LEU 58 N -7.39 4.19 0.08 -4.62 2.96 -1.18 -5.03 118.68 107.69 1um7 s LEU 58 Ca -0.31 1.26 -0.00 0.00 -0.22 0.00 0.00 54.13 54.86 1um7 s LEU 58 Cb 0.09 -3.31 -0.04 0.00 0.50 0.00 0.00 46.19 43.43 1um7 s LEU 58 CO 0.60 -0.41 -0.02 0.00 -1.32 0.00 0.00 176.35 175.21 1um7 s ARG 59 N 2.10 0.75 -1.08 1.98 1.04 -1.26 -4.24 118.95 118.23 1um7 s ARG 59 Ca 0.41 -1.31 -0.24 0.00 -1.04 0.00 0.00 55.73 53.55 1um7 s ARG 59 Cb -0.17 0.11 -0.13 0.00 -2.04 0.00 0.00 34.95 32.73 1um7 s ARG 59 CO 0.14 -0.13 2.03 0.50 -0.04 0.00 0.00 175.30 177.80 1um7 s ARG 60 N -3.93 2.05 0.00 3.89 3.52 -1.26 -3.04 118.95 120.18 1um7 s ARG 60 Ca 0.12 -0.70 0.00 0.00 -0.13 0.00 0.00 55.73 55.03 1um7 s ARG 60 Cb 0.07 -5.11 0.00 0.00 -1.56 0.00 0.00 34.95 28.36 1um7 s ARG 60 CO -0.06 -4.37 0.00 0.41 -0.81 0.00 0.00 175.30 170.47 1um7 n GLY 61 N 6.14 0.00 2.79 8.12 0.00 -1.26 -4.98 105.19 116.00 1um7 n GLY 61 Ca 0.43 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 1um7 n GLY 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1um7 s ASP 62 N 0.00 2.99 0.10 1.61 2.15 -1.17 -2.37 116.67 119.99 1um7 s ASP 62 Ca 0.00 -0.82 -0.31 0.00 0.43 0.00 0.00 52.55 51.85 1um7 s ASP 62 Cb 0.00 -0.73 -0.10 0.00 -0.30 0.00 0.00 42.92 41.79 1um7 s ASP 62 CO 0.00 -0.27 1.79 -0.60 -0.17 0.00 0.00 175.17 175.92 1um7 s ARG 63 N 1.75 4.15 -0.75 4.34 3.52 0.95 -2.84 118.95 130.08 1um7 s ARG 63 Ca -0.01 2.53 -0.27 0.00 -0.13 0.00 0.00 55.73 57.84 1um7 s ARG 63 Cb -0.17 -3.63 0.03 0.00 -1.56 0.00 0.00 34.95 29.62 1um7 s ARG 63 CO -0.07 -0.82 1.29 0.42 -0.81 0.00 0.00 175.30 175.30 1um7 s ILE 64 N 2.83 3.73 -0.07 4.11 -1.09 0.42 -0.20 121.20 130.93 1um7 s ILE 64 Ca 0.79 0.37 -0.18 0.00 -2.23 0.00 0.00 60.65 59.40 1um7 s ILE 64 Cb -0.44 -4.93 -0.13 0.00 -1.58 0.00 0.00 42.46 35.38 1um7 s ILE 64 CO 0.36 -1.86 0.68 -0.07 -1.23 0.00 0.00 174.94 172.81 1um7 h LEU 65 N 13.02 -0.16 -8.25 2.97 -0.00 -1.47 -3.36 115.31 118.05 1um7 h LEU 65 Ca -0.26 -0.33 -0.13 0.00 -0.00 0.00 0.00 57.88 57.16 1um7 h LEU 65 Cb 1.05 0.04 -0.13 0.00 -0.00 0.00 0.00 40.66 41.62 1um7 h LEU 65 CO 1.29 0.43 -0.37 -0.94 -0.00 0.00 0.00 178.44 178.84 1um7 s SER 66 N -5.52 0.06 -0.05 -0.43 1.04 -0.64 -2.41 113.70 105.75 1um7 s SER 66 Ca -0.11 -1.02 0.02 0.00 0.48 0.00 0.00 55.95 55.33 1um7 s SER 66 Cb -0.00 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.57 1um7 s SER 66 CO 0.39 -0.92 -0.10 0.54 0.98 0.00 0.00 173.24 174.14 1um7 s VAL 67 N -4.02 0.95 0.00 5.02 0.11 -0.91 -1.62 120.40 119.94 1um7 s VAL 67 Ca 0.23 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 1um7 s VAL 67 Cb 0.04 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 1um7 s VAL 67 CO 0.04 0.31 0.00 -3.20 -3.33 0.00 0.00 175.10 168.92 1um7 n ASN 68 N 3.76 -0.95 -0.63 3.54 5.15 0.32 0.16 115.26 126.61 1um7 n ASN 68 Ca -0.23 0.48 0.00 0.00 -0.60 0.00 0.00 54.58 54.23 1um7 n ASN 68 Cb 0.52 -0.95 0.00 0.00 -0.53 0.00 0.00 39.78 38.82 1um7 n ASN 68 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1um7 n GLY 69 N -0.48 0.57 3.07 8.20 0.00 -1.25 -4.87 105.19 110.42 1um7 n GLY 69 Ca 0.00 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.46 1.82 -0.48 1.61 1.01 0.41 -5.07 120.40 117.25 1um7 s VAL 70 Ca 0.00 -0.80 -0.28 0.00 0.00 0.00 0.00 61.98 60.90 1um7 s VAL 70 Cb 0.00 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1um7 s VAL 70 CO 0.00 0.49 1.71 0.21 0.00 0.00 0.00 175.10 177.51 1um7 s ASN 71 N 1.38 5.77 -0.01 3.32 3.84 -1.26 -2.13 114.94 125.85 1um7 s ASN 71 Ca 0.05 0.74 0.02 0.00 0.21 0.00 0.00 52.86 53.87 1um7 s ASN 71 Cb -0.13 -2.53 0.03 0.00 -0.55 0.00 0.00 41.25 38.06 1um7 s ASN 71 CO -0.12 -1.91 0.98 0.18 -2.79 0.00 0.00 177.10 173.44 1um7 n LEU 72 N 10.84 1.87 -0.61 3.21 4.77 -1.01 -4.75 117.00 131.33 1um7 n LEU 72 Ca 0.19 -1.95 0.47 0.00 -0.03 0.00 0.00 56.01 54.70 1um7 n LEU 72 Cb 0.49 -0.04 0.73 0.00 -2.33 0.00 0.00 43.42 42.27 1um7 n LEU 72 CO 0.70 0.48 1.32 0.54 -1.33 0.00 0.00 177.39 179.10 1um7 n ARG 73 N -0.54 -0.01 -3.02 3.23 1.74 -1.11 -1.42 116.66 115.52 1um7 n ARG 73 Ca 0.01 1.03 -0.18 0.00 -0.77 0.00 0.00 57.85 57.94 1um7 n ARG 73 Cb 0.30 -2.29 -0.02 0.00 -1.02 0.00 0.00 32.46 29.43 1um7 n ARG 73 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1um7 n ASN 74 N -3.92 -0.93 -4.58 0.55 4.13 -1.26 -4.45 115.26 104.81 1um7 n ASN 74 Ca 0.40 -2.95 -0.28 0.00 1.68 0.00 0.00 54.58 53.43 1um7 n ASN 74 Cb 1.78 0.29 -0.09 0.00 -1.54 0.00 0.00 39.78 40.21 1um7 n ASN 74 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1um7 s ALA 75 N -0.55 3.34 0.56 5.41 0.00 -0.51 -4.88 121.76 125.12 1um7 s ALA 75 Ca 0.34 -1.46 -0.02 0.00 0.00 0.00 0.00 51.96 50.81 1um7 s ALA 75 Cb 0.20 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.62 1um7 s ALA 75 CO -0.15 -0.14 0.82 0.95 0.00 0.00 0.00 175.76 177.23 1um7 s THR 76 N -2.93 3.28 0.15 0.00 -4.23 -1.26 -4.12 115.64 106.53 1um7 s THR 76 Ca 0.24 -0.36 -0.17 0.00 -1.18 0.00 0.00 61.69 60.21 1um7 s THR 76 Cb 0.06 -3.27 0.02 0.00 1.34 0.00 0.00 72.50 70.65 1um7 s THR 76 CO 0.12 -0.23 1.72 -0.74 -0.54 0.00 0.00 174.62 174.95 1um7 h HIS 77 N -0.01 0.06 0.27 3.99 2.76 -1.81 0.01 115.15 120.43 1um7 h HIS 77 Ca -0.45 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 57.73 1um7 h HIS 77 Cb 1.28 0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.26 1um7 h HIS 77 CO 0.42 -0.01 -0.13 1.49 -1.30 0.00 0.00 177.93 178.40 1um7 h GLU 78 N 0.15 -0.35 -1.02 5.26 4.81 -1.94 -0.48 114.58 121.00 1um7 h GLU 78 Ca 0.15 0.02 0.29 0.00 -0.13 0.00 0.00 59.36 59.69 1um7 h GLU 78 Cb 0.18 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 1um7 h GLU 78 CO -0.22 -0.15 0.72 1.96 -0.73 0.00 0.00 179.01 180.58 1um7 h GLN 79 N -0.48 0.09 0.04 1.92 4.20 -1.85 1.39 115.11 120.41 1um7 h GLN 79 Ca -0.04 -0.01 -0.24 0.00 0.06 0.00 0.00 58.65 58.42 1um7 h GLN 79 Cb 0.36 -0.02 0.02 0.00 0.30 0.00 0.00 27.48 28.15 1um7 h GLN 79 CO 0.06 0.06 -0.98 0.00 -0.67 0.00 0.00 178.83 177.30 1um7 h ALA 80 N 1.51 0.06 -0.31 3.87 0.00 -0.39 -2.82 119.26 121.19 1um7 h ALA 80 Ca 0.50 -0.69 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1um7 h ALA 80 Cb 1.84 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 1um7 h ALA 80 CO -0.06 0.59 -0.18 0.00 0.00 0.00 0.00 179.25 179.60 1um7 h ALA 81 N 0.33 0.44 -0.17 0.00 0.00 0.17 -2.42 119.26 117.61 1um7 h ALA 81 Ca -0.13 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.48 1um7 h ALA 81 Cb 1.67 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1um7 h ALA 81 CO 0.19 0.36 0.15 0.00 0.00 0.00 0.00 179.25 179.95 1um7 h ALA 82 N 0.75 1.94 -0.01 0.00 0.00 0.15 0.50 119.26 122.59 1um7 h ALA 82 Ca 0.07 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1um7 h ALA 82 Cb 0.71 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1um7 h ALA 82 CO 0.05 -0.23 -0.68 0.00 0.00 0.00 0.00 179.25 178.39 1um7 h ALA 83 N 1.86 0.86 0.00 0.00 0.00 -1.17 0.50 119.26 121.31 1um7 h ALA 83 Ca 0.08 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 1um7 h ALA 83 Cb 0.37 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1um7 h ALA 83 CO -0.00 0.83 -0.77 -0.07 0.00 0.00 0.00 179.25 179.24 1um7 h LEU 84 N 0.03 0.00 0.00 0.00 3.38 0.01 -2.83 115.31 115.90 1um7 h LEU 84 Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1um7 h LEU 84 Cb 1.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1um7 h LEU 84 CO 0.09 0.28 -0.85 0.11 0.09 0.00 0.00 178.44 178.16 1um7 h LYS 85 N 0.00 0.00 -0.00 1.13 1.57 -0.03 -3.19 116.57 116.05 1um7 h LYS 85 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1um7 h LYS 85 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1um7 h LYS 85 CO 0.03 0.45 -0.41 2.89 -0.57 0.00 0.00 179.45 181.84 1um7 n ARG 86 N -3.11 0.23 0.00 3.15 -4.01 0.15 -4.81 116.66 108.25 1um7 n ARG 86 Ca -0.02 -0.13 0.00 0.00 -1.04 0.00 0.00 57.85 56.66 1um7 n ARG 86 Cb 0.78 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.70 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 -1.28 0.00 -2.86 2.89 0.00 -1.07 -5.06 120.51 113.13 1um7 n ALA 87 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 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 1.48 1.63 0.12 0.00 0.00 -1.26 -5.04 105.19 102.11 1um7 n GLY 88 Ca 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.17 -4.29 1.61 7.50 -1.92 -3.40 115.11 114.44 1um7 h GLN 89 Ca 0.00 0.01 -0.74 0.00 0.50 0.00 0.00 58.65 58.43 1um7 h GLN 89 Cb 0.00 0.04 -0.25 0.00 0.05 0.00 0.00 27.48 27.31 1um7 h GLN 89 CO 0.00 0.28 -0.35 -1.54 -1.50 0.00 0.00 178.83 175.72 1um7 s SER 90 N -5.49 5.94 -0.06 1.46 1.04 -1.26 -1.85 113.70 113.48 1um7 s SER 90 Ca -0.14 -1.58 0.05 0.00 0.48 0.00 0.00 55.95 54.75 1um7 s SER 90 Cb 0.01 -2.11 -0.02 0.00 0.10 0.00 0.00 66.02 64.01 1um7 s SER 90 CO 0.57 -0.67 -0.20 -0.69 0.98 0.00 0.00 173.24 173.23 1um7 s VAL 91 N 1.53 2.51 -0.49 5.02 1.01 -1.06 -5.02 120.40 123.90 1um7 s VAL 91 Ca 0.04 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 1um7 s VAL 91 Cb -0.26 -1.95 0.11 0.00 0.00 0.00 0.00 36.38 34.29 1um7 s VAL 91 CO 0.03 0.57 0.39 -0.89 0.00 0.00 0.00 175.10 175.20 1um7 s THR 92 N -0.33 4.61 -0.28 3.92 2.01 -1.26 -1.40 115.64 122.89 1um7 s THR 92 Ca 0.02 -1.59 -0.19 0.00 0.31 0.00 0.00 61.69 60.24 1um7 s THR 92 Cb -0.13 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 1um7 s THR 92 CO 0.02 -0.75 0.56 -0.63 -0.69 0.00 0.00 174.62 173.13 1um7 s ILE 93 N 1.47 5.01 -0.48 1.82 1.09 0.39 0.12 121.20 130.62 1um7 s ILE 93 Ca 0.04 0.83 -0.11 0.00 -1.10 0.00 0.00 60.65 60.32 1um7 s ILE 93 Cb -0.27 -3.91 0.11 0.00 -1.06 0.00 0.00 42.46 37.33 1um7 s ILE 93 CO 0.01 -0.03 0.36 -0.69 -0.10 0.00 0.00 174.94 174.50 1um7 s VAL 94 N 2.43 4.51 0.16 2.92 1.01 -0.64 -0.76 120.40 130.03 1um7 s VAL 94 Ca 0.23 -1.59 0.07 0.00 0.00 0.00 0.00 61.98 60.69 1um7 s VAL 94 Cb -0.15 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1um7 s VAL 94 CO 0.10 -0.72 -0.15 0.00 0.00 0.00 0.00 175.10 174.33 1um7 s ALA 95 N 1.45 1.81 -0.07 5.51 0.00 -1.10 -1.34 121.76 128.02 1um7 s ALA 95 Ca 0.04 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 50.56 1um7 s ALA 95 Cb -0.26 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1um7 s ALA 95 CO 0.01 0.11 -0.19 1.14 0.00 0.00 0.00 175.76 176.83 1um7 s GLN 96 N -3.10 2.35 0.84 0.00 -2.07 0.72 -0.11 119.66 118.28 1um7 s GLN 96 Ca 0.16 -0.69 -0.15 0.00 -1.82 0.00 0.00 55.36 52.86 1um7 s GLN 96 Cb -0.03 -1.87 -0.02 0.00 -1.09 0.00 0.00 33.01 30.00 1um7 s GLN 96 CO 0.05 0.17 0.37 0.98 -1.32 0.00 0.00 175.29 175.54 1um7 n TYR 97 N 3.47 -1.43 0.00 9.60 9.36 -1.26 -0.04 117.16 136.86 1um7 n TYR 97 Ca -0.20 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.30 1um7 n TYR 97 Cb 0.52 -1.82 0.00 0.00 -0.63 0.00 0.00 39.34 37.41 1um7 n TYR 97 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1um7 n ARG 98 N -0.87 0.00 -0.03 2.98 5.12 -1.00 -4.67 116.66 118.19 1um7 n ARG 98 Ca 0.08 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.87 1um7 n ARG 98 Cb 0.52 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.71 1um7 n ARG 98 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1um7 h PRO 99 N 0.00 -0.03 -0.41 5.56 0.13 -1.95 -2.86 132.00 132.44 1um7 h PRO 99 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 1um7 h PRO 99 Cb 0.00 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 1um7 h PRO 99 CO 0.00 0.66 -0.56 1.49 -0.23 0.00 0.00 178.00 179.36 1um7 h GLU 100 N -0.78 -0.38 0.00 0.86 4.81 -1.98 0.69 114.58 117.79 1um7 h GLU 100 Ca -0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1um7 h GLU 100 Cb 0.71 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1um7 h GLU 100 CO 0.01 -0.26 0.00 0.39 -0.73 0.00 0.00 179.01 178.42 1um7 n GLU 101 N -5.37 0.00 -0.46 1.92 -0.58 -1.25 -1.51 120.64 113.37 1um7 n GLU 101 Ca -0.04 0.67 0.38 0.00 -0.42 0.00 0.00 57.16 57.76 1um7 n GLU 101 Cb 0.34 -1.47 0.67 0.00 -0.57 0.00 0.00 31.44 30.41 1um7 n GLU 101 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1um7 h TYR 102 N 0.00 0.47 -0.34 -0.32 3.20 -1.26 1.66 116.97 120.39 1um7 h TYR 102 Ca 0.00 0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.99 1um7 h TYR 102 Cb 0.00 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1um7 h TYR 102 CO -0.22 -0.20 0.60 1.03 -1.64 0.00 0.00 178.16 177.73 1um7 h SER 103 N 0.07 0.00 0.35 -2.11 0.87 0.15 1.44 113.55 114.31 1um7 h SER 103 Ca 0.83 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 61.27 1um7 h SER 103 Cb 2.69 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.63 1um7 h SER 103 CO -0.39 0.00 -0.51 -0.09 -0.53 0.00 0.00 176.83 175.31 1um7 h ARG 104 N 0.00 0.19 0.04 2.24 2.43 0.25 -2.79 114.38 116.73 1um7 h ARG 104 Ca 0.16 -0.11 -0.32 0.00 -0.81 0.00 0.00 59.98 58.90 1um7 h ARG 104 Cb 1.35 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.87 1um7 h ARG 104 CO -0.00 0.66 -1.84 1.19 -1.51 0.00 0.00 179.97 178.47 1um7 n PHE 105 N -3.94 1.06 0.28 2.20 3.72 0.47 -3.95 117.46 117.30 1um7 n PHE 105 Ca -0.02 0.32 -0.16 0.00 -0.05 0.00 0.00 57.45 57.53 1um7 n PHE 105 Cb 0.54 -1.17 -0.09 0.00 -0.94 0.00 0.00 39.48 37.82 1um7 n PHE 105 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1um7 h GLU 106 N 0.03 -0.90 -0.31 -1.08 4.39 -0.83 -3.07 114.58 112.80 1um7 h GLU 106 Ca -0.34 0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.45 1um7 h GLU 106 Cb 2.03 0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 30.82 1um7 h GLU 106 CO 0.08 -0.60 -0.40 1.03 -1.16 0.00 0.00 179.01 177.97 1um7 h SER 107 N -0.93 -1.33 -3.68 1.42 0.87 -1.69 -3.48 113.55 104.72 1um7 h SER 107 Ca -0.06 0.18 0.30 0.00 -1.23 0.00 0.00 61.79 60.97 1um7 h SER 107 Cb 0.79 0.55 -0.16 0.00 -0.44 0.00 0.00 62.40 63.14 1um7 h SER 107 CO -0.03 -0.28 -1.09 -0.24 -0.53 0.00 0.00 176.83 174.66 1um7 n SER 108 N -4.59 -6.79 -0.46 6.23 2.88 -1.16 -5.01 113.62 104.73 1um7 n SER 108 Ca -0.02 1.25 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 1um7 n SER 108 Cb 0.24 -4.27 0.00 0.00 -0.75 0.00 0.00 64.21 59.42 1um7 n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1um7 n GLY 109 N -4.02 1.54 3.51 0.46 0.00 -1.26 -4.95 105.19 100.46 1um7 n GLY 109 Ca -0.08 -1.96 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 1um7 n GLY 109 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1um7 n PRO 110 N 0.00 2.39 -2.23 1.61 -0.04 -1.26 -4.93 135.00 130.54 1um7 n PRO 110 Ca 0.00 -2.81 -0.43 0.00 -0.04 0.00 0.00 63.50 60.23 1um7 n PRO 110 Cb 0.00 -3.56 -0.02 0.00 -0.04 0.00 0.00 33.50 29.88 1um7 n PRO 110 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1um7 s SER 111 N 5.19 6.77 0.09 3.54 0.15 -1.26 -4.92 113.70 123.26 1um7 s SER 111 Ca 0.60 1.88 -0.33 0.00 0.70 0.00 0.00 55.95 58.80 1um7 s SER 111 Cb 0.03 -2.54 -0.14 0.00 -1.71 0.00 0.00 66.02 61.66 1um7 s SER 111 CO 0.10 -0.89 1.59 0.28 1.20 0.00 0.00 173.24 175.52 1um7 h SER 112 N 9.02 -1.12 0.00 5.45 0.02 -2.06 -3.56 113.55 121.30 1um7 h SER 112 Ca -0.32 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1um7 h SER 112 Cb 1.14 0.38 0.00 0.00 0.14 0.00 0.00 62.40 64.05 1um7 h SER 112 CO 0.97 -0.56 0.00 0.61 -1.14 0.00 0.00 176.83 176.71