#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5n s SER 2 N 0.00 4.69 0.44 1.61 0.15 -1.26 -5.09 113.70 114.25 1x5n s SER 2 Ca 0.00 -3.23 -0.22 0.00 0.70 0.00 0.00 55.95 53.20 1x5n s SER 2 Cb 0.00 -1.69 -0.09 0.00 -1.71 0.00 0.00 66.02 62.53 1x5n s SER 2 CO 0.00 -0.22 1.02 -0.94 1.20 0.00 0.00 173.24 174.31 1x5n s SER 3 N -0.39 6.61 0.00 5.45 1.04 -1.26 -5.02 113.70 120.13 1x5n s SER 3 Ca 0.19 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.55 1x5n s SER 3 Cb -0.19 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1x5n s SER 3 CO -0.05 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1x5n n GLY 4 N -0.08 3.18 2.13 7.32 0.00 -1.26 -5.14 105.19 111.34 1x5n n GLY 4 Ca 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1x5n n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5n n SER 5 N 0.00 -8.67 -1.58 1.61 2.88 -1.26 -4.88 113.62 101.72 1x5n n SER 5 Ca 0.00 1.55 -0.04 0.00 -1.33 0.00 0.00 58.87 59.06 1x5n n SER 5 Cb 0.00 -4.75 0.26 0.00 -0.75 0.00 0.00 64.21 58.97 1x5n n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x5n n SER 6 N 1.66 4.01 -0.30 -3.46 3.41 -1.26 -5.07 113.62 112.62 1x5n n SER 6 Ca 0.00 -3.33 0.00 0.00 -0.26 0.00 0.00 58.87 55.28 1x5n n SER 6 Cb 0.00 -0.68 -0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1x5n n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5n n GLY 7 N -0.54 -1.79 3.03 5.00 0.00 -1.26 -4.94 105.19 104.69 1x5n n GLY 7 Ca 0.36 -1.31 -0.16 0.00 0.00 0.00 0.00 46.02 44.92 1x5n n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5n s SER 8 N -3.97 0.88 0.20 1.61 1.04 -1.26 -5.13 113.70 107.07 1x5n s SER 8 Ca 0.00 -0.32 -0.30 0.00 0.48 0.00 0.00 55.95 55.82 1x5n s SER 8 Cb 0.00 -0.04 -0.08 0.00 0.10 0.00 0.00 66.02 66.00 1x5n s SER 8 CO 0.00 -0.03 1.11 -2.16 0.98 0.00 0.00 173.24 173.13 1x5n s PRO 9 N -0.80 4.60 0.44 4.02 0.04 -1.26 -5.05 135.00 136.99 1x5n s PRO 9 Ca -0.02 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1x5n s PRO 9 Cb -0.06 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1x5n s PRO 9 CO 0.00 0.09 0.02 0.41 0.04 0.00 0.00 177.00 177.57 1x5n n GLY 10 N 1.87 3.60 3.34 0.56 0.00 -1.26 -5.16 105.19 108.14 1x5n n GLY 10 Ca 0.02 -2.34 -0.12 0.00 0.00 0.00 0.00 46.02 43.57 1x5n n GLY 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x5n s ASN 11 N -3.41 -0.51 -0.50 1.61 3.84 -1.26 -5.11 114.94 109.61 1x5n s ASN 11 Ca 0.02 0.94 -0.27 0.00 0.21 0.00 0.00 52.86 53.76 1x5n s ASN 11 Cb -0.00 0.91 -0.01 0.00 -0.55 0.00 0.00 41.25 41.59 1x5n s ASN 11 CO 0.01 -0.17 1.73 -0.13 -2.79 0.00 0.00 177.10 175.75 1x5n s ARG 12 N 0.68 3.04 0.39 0.43 0.52 -1.26 -4.43 118.95 118.32 1x5n s ARG 12 Ca -0.04 0.87 0.00 0.00 -0.52 0.00 0.00 55.73 56.05 1x5n s ARG 12 Cb -0.05 -4.25 0.00 0.00 0.52 0.00 0.00 34.95 31.17 1x5n s ARG 12 CO -0.05 -2.23 0.00 0.39 0.02 0.00 0.00 175.30 173.44 1x5n n GLU 13 N 8.77 0.00 -4.47 3.54 1.02 -1.26 -5.15 120.64 123.09 1x5n n GLU 13 Ca 0.20 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.11 1x5n n GLU 13 Cb 0.50 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.81 1x5n n GLU 13 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1x5n s ASN 14 N -2.86 2.71 -0.41 1.62 0.01 -1.26 -5.11 114.94 109.64 1x5n s ASN 14 Ca 0.00 -1.31 -0.18 0.00 -0.71 0.00 0.00 52.86 50.66 1x5n s ASN 14 Cb 0.00 -0.16 0.02 0.00 0.41 0.00 0.00 41.25 41.52 1x5n s ASN 14 CO 0.00 -0.50 0.49 -0.54 -1.51 0.00 0.00 177.10 175.04 1x5n s LYS 15 N -3.81 3.22 0.04 -0.60 3.01 -1.26 -5.04 119.74 115.30 1x5n s LYS 15 Ca 0.34 -0.59 0.07 0.00 -1.01 0.00 0.00 55.97 54.78 1x5n s LYS 15 Cb 0.07 -3.94 -0.03 0.00 -1.01 0.00 0.00 37.83 32.92 1x5n s LYS 15 CO 0.15 -0.85 -0.17 -1.21 0.51 0.00 0.00 175.35 173.78 1x5n s GLU 16 N 2.31 2.09 -0.00 1.68 2.02 -1.26 -2.31 118.70 123.23 1x5n s GLU 16 Ca 0.15 -0.97 0.01 0.00 0.02 0.00 0.00 54.97 54.17 1x5n s GLU 16 Cb -0.16 -2.21 -0.00 0.00 0.10 0.00 0.00 34.13 31.86 1x5n s GLU 16 CO 0.15 0.54 -0.02 -1.59 0.02 0.00 0.00 175.26 174.36 1x5n s LYS 17 N -1.50 0.16 -0.31 1.61 -2.85 -0.73 -4.92 119.74 111.20 1x5n s LYS 17 Ca 0.15 -0.08 -0.15 0.00 -1.00 0.00 0.00 55.97 54.90 1x5n s LYS 17 Cb -0.11 -0.15 -0.02 0.00 -2.06 0.00 0.00 37.83 35.49 1x5n s LYS 17 CO 0.06 0.04 0.37 0.21 0.10 0.00 0.00 175.35 176.13 1x5n s LYS 18 N -0.06 3.78 -0.21 1.78 2.36 -1.26 -2.20 119.74 123.93 1x5n s LYS 18 Ca 0.01 -0.19 0.01 0.00 -2.55 0.00 0.00 55.97 53.24 1x5n s LYS 18 Cb -0.01 -3.73 0.03 0.00 -1.05 0.00 0.00 37.83 33.07 1x5n s LYS 18 CO -0.00 -0.41 -0.15 0.14 1.55 0.00 0.00 175.35 176.48 1x5n s VAL 19 N 2.06 2.28 -0.45 4.02 -7.23 0.11 -4.97 120.40 116.21 1x5n s VAL 19 Ca 0.13 -1.10 -0.19 0.00 -1.81 0.00 0.00 61.98 59.02 1x5n s VAL 19 Cb -0.16 -2.08 0.04 0.00 0.56 0.00 0.00 36.38 34.73 1x5n s VAL 19 CO 0.11 0.35 0.54 0.12 -0.31 0.00 0.00 175.10 175.91 1x5n s PHE 20 N 1.26 3.11 -0.39 2.82 2.19 -1.26 0.70 117.98 126.40 1x5n s PHE 20 Ca 0.01 -0.37 -0.18 0.00 0.33 0.00 0.00 56.93 56.72 1x5n s PHE 20 Cb -0.15 -3.21 0.01 0.00 -1.31 0.00 0.00 43.02 38.36 1x5n s PHE 20 CO -0.09 -0.85 0.48 0.42 1.83 0.00 0.00 175.22 177.01 1x5n s ILE 21 N 2.43 5.04 -0.20 3.12 -1.09 0.12 -4.89 121.20 125.72 1x5n s ILE 21 Ca 0.15 -0.03 -0.04 0.00 -2.23 0.00 0.00 60.65 58.50 1x5n s ILE 21 Cb -0.17 -4.01 -0.01 0.00 -1.58 0.00 0.00 42.46 36.69 1x5n s ILE 21 CO 0.14 -0.34 -0.05 -0.94 -1.23 0.00 0.00 174.94 172.52 1x5n s SER 22 N 1.81 4.36 -1.07 3.58 1.04 -1.24 -1.00 113.70 121.19 1x5n s SER 22 Ca 0.15 -0.35 -0.06 0.00 0.48 0.00 0.00 55.95 56.18 1x5n s SER 22 Cb -0.16 -1.74 0.28 0.00 0.10 0.00 0.00 66.02 64.50 1x5n s SER 22 CO 0.14 0.02 1.19 0.18 0.98 0.00 0.00 173.24 175.75 1x5n n LEU 23 N 4.52 5.63 -4.43 2.42 4.32 -0.94 -4.86 117.00 123.66 1x5n n LEU 23 Ca -0.18 -5.12 -0.31 0.00 -0.02 0.00 0.00 56.01 50.38 1x5n n LEU 23 Cb 0.51 -1.35 -0.13 0.00 -1.62 0.00 0.00 43.42 40.83 1x5n n LEU 23 CO 0.30 1.51 -0.51 0.68 -1.22 0.00 0.00 177.39 178.14 1x5n s VAL 24 N -1.83 2.63 0.00 4.08 -7.23 -1.26 -4.73 120.40 112.06 1x5n s VAL 24 Ca 0.31 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 1x5n s VAL 24 Cb -0.04 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.82 1x5n s VAL 24 CO -0.02 0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.76 1x5n n GLY 25 N 1.72 2.22 0.00 2.32 0.00 -1.26 -4.44 105.19 105.75 1x5n n GLY 25 Ca -0.16 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1x5n n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5n n SER 26 N 1.15 -0.88 -1.45 1.61 3.41 -1.26 -4.86 113.62 111.34 1x5n n SER 26 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.80 1x5n n SER 26 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1x5n n SER 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1x5n n ARG 27 N -0.88 -3.03 0.00 4.33 5.12 -1.26 -4.97 116.66 115.97 1x5n n ARG 27 Ca 0.00 2.14 0.00 0.00 -1.93 0.00 0.00 57.85 58.06 1x5n n ARG 27 Cb 0.00 -3.66 0.00 0.00 -1.16 0.00 0.00 32.46 27.64 1x5n n ARG 27 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x5n n GLY 28 N -4.27 2.75 3.52 -0.13 0.00 -1.26 -4.86 105.19 100.94 1x5n n GLY 28 Ca -0.01 0.07 -0.60 0.00 0.00 0.00 0.00 46.02 45.48 1x5n n GLY 28 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x5n n LEU 29 N 0.00 0.13 -0.96 0.99 7.94 -1.26 -3.74 117.00 120.10 1x5n n LEU 29 Ca 0.00 1.16 0.05 0.00 -1.11 0.00 0.00 56.01 56.11 1x5n n LEU 29 Cb 0.00 -0.92 0.11 0.00 0.53 0.00 0.00 43.42 43.14 1x5n n LEU 29 CO 0.00 -1.80 0.23 0.61 -1.11 0.00 0.00 177.39 175.33 1x5n n GLY 30 N 1.73 3.13 3.38 -3.96 0.00 -1.26 -4.85 105.19 103.35 1x5n n GLY 30 Ca 0.21 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 1x5n n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5n s SER 32 N -0.61 6.72 0.08 0.00 0.01 0.15 -4.94 113.70 115.11 1x5n s SER 32 Ca 0.09 0.86 0.08 0.00 1.31 0.00 0.00 55.95 58.29 1x5n s SER 32 Cb -0.11 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 1x5n s SER 32 CO 0.00 0.33 -0.17 0.27 0.41 0.00 0.00 173.24 174.09 1x5n s ILE 33 N -1.02 2.91 0.24 1.44 -4.36 -1.26 0.55 121.20 119.71 1x5n s ILE 33 Ca 0.22 -1.33 0.00 0.00 -0.26 0.00 0.00 60.65 59.28 1x5n s ILE 33 Cb -0.16 -2.30 -0.05 0.00 1.25 0.00 0.00 42.46 41.21 1x5n s ILE 33 CO 0.11 0.20 0.11 -0.55 0.24 0.00 0.00 174.94 175.06 1x5n s SER 34 N -1.85 0.81 -0.12 4.36 0.15 -0.93 -4.85 113.70 111.26 1x5n s SER 34 Ca 0.17 -1.39 -0.11 0.00 0.70 0.00 0.00 55.95 55.32 1x5n s SER 34 Cb -0.11 0.25 -0.05 0.00 -1.71 0.00 0.00 66.02 64.40 1x5n s SER 34 CO 0.09 -0.77 0.23 -0.94 1.20 0.00 0.00 173.24 173.05 1x5n s SER 35 N -3.26 6.45 0.75 5.45 1.04 -1.26 -3.00 113.70 119.87 1x5n s SER 35 Ca 0.38 0.54 -0.10 0.00 0.48 0.00 0.00 55.95 57.24 1x5n s SER 35 Cb 0.07 -2.14 0.06 0.00 0.10 0.00 0.00 66.02 64.11 1x5n s SER 35 CO 0.13 0.26 1.11 -0.83 0.98 0.00 0.00 173.24 174.89 1x5n s GLY 36 N -0.36 1.62 0.00 7.32 0.00 -1.05 -4.97 107.32 109.87 1x5n s GLY 36 Ca 0.16 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.24 1x5n s GLY 36 CO 0.05 -0.21 0.00 -1.55 0.00 0.00 0.00 173.10 171.39 1x5n n PRO 37 N -3.12 -0.43 0.10 2.90 -0.04 -1.11 -4.53 135.00 128.78 1x5n n PRO 37 Ca 0.08 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1x5n n PRO 37 Cb 0.60 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.10 1x5n n PRO 37 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1x5n h ILE 38 N -1.20 1.56 0.00 0.52 2.10 -1.98 0.24 117.51 118.75 1x5n h ILE 38 Ca 0.00 -2.68 -0.15 0.00 1.08 0.00 0.00 64.86 63.11 1x5n h ILE 38 Cb 0.00 2.44 -0.02 0.00 -1.09 0.00 0.00 36.82 38.15 1x5n h ILE 38 CO 0.00 0.76 -0.72 0.06 -1.08 0.00 0.00 178.15 177.17 1x5n h GLN 39 N 0.00 0.00 -2.03 2.19 3.07 -2.05 -3.35 115.11 112.93 1x5n h GLN 39 Ca -0.01 0.00 -0.51 0.00 0.09 0.00 0.00 58.65 58.22 1x5n h GLN 39 Cb 1.38 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.54 1x5n h GLN 39 CO 0.10 0.72 -1.12 1.17 0.09 0.00 0.00 178.83 179.80 1x5n n LYS 40 N -3.35 1.16 -2.53 0.06 3.00 -1.16 -5.11 118.16 110.24 1x5n n LYS 40 Ca 0.01 -3.51 -0.37 0.00 -0.00 0.00 0.00 58.31 54.43 1x5n n LYS 40 Cb 0.80 -1.67 -0.04 0.00 0.00 0.00 0.00 35.03 34.12 1x5n n LYS 40 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1x5n s PRO 41 N -2.29 4.21 0.00 1.64 0.04 0.84 -2.76 135.00 136.69 1x5n s PRO 41 Ca 0.40 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1x5n s PRO 41 Cb 0.30 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1x5n s PRO 41 CO -0.09 -0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.25 1x5n n GLY 42 N 0.44 0.58 3.16 0.56 0.00 -1.25 -4.88 105.19 103.79 1x5n n GLY 42 Ca 0.04 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 1x5n n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5n s ILE 43 N -3.12 2.47 -0.04 -0.61 -1.09 -1.26 -2.53 121.20 115.03 1x5n s ILE 43 Ca 0.00 -0.96 0.03 0.00 -2.23 0.00 0.00 60.65 57.50 1x5n s ILE 43 Cb 0.00 -2.15 0.00 0.00 -1.58 0.00 0.00 42.46 38.73 1x5n s ILE 43 CO 0.00 0.39 -0.13 -0.36 -1.23 0.00 0.00 174.94 173.60 1x5n s PHE 44 N 1.31 1.38 0.33 3.97 0.40 -1.16 0.14 117.98 124.34 1x5n s PHE 44 Ca 0.03 -0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 55.68 1x5n s PHE 44 Cb -0.15 -0.95 -0.11 0.00 0.51 0.00 0.00 43.02 42.32 1x5n s PHE 44 CO -0.09 -0.15 1.46 0.42 0.70 0.00 0.00 175.22 177.56 1x5n s ILE 45 N 0.16 2.32 -0.18 0.64 1.01 -1.17 -2.18 121.20 121.79 1x5n s ILE 45 Ca -0.04 0.30 0.06 0.00 0.00 0.00 0.00 60.65 60.97 1x5n s ILE 45 Cb -0.11 -3.19 -0.15 0.00 0.01 0.00 0.00 42.46 39.02 1x5n s ILE 45 CO 0.02 0.06 -0.09 -1.54 0.00 0.00 0.00 174.94 173.39 1x5n n SER 46 N 1.20 1.99 -3.82 3.58 3.41 0.19 -3.28 113.62 116.89 1x5n n SER 46 Ca 0.03 -0.07 -0.10 0.00 -0.26 0.00 0.00 58.87 58.48 1x5n n SER 46 Cb 0.40 0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1x5n n SER 46 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1x5n s HIS 47 N -2.39 0.11 -0.12 7.33 5.65 -1.15 -4.86 115.29 119.86 1x5n s HIS 47 Ca -0.20 -0.47 -0.04 0.00 0.25 0.00 0.00 55.06 54.60 1x5n s HIS 47 Cb 0.06 0.12 0.06 0.00 -1.18 0.00 0.00 32.58 31.64 1x5n s HIS 47 CO 0.52 -0.74 0.24 0.08 -0.65 0.00 0.00 174.74 174.20 1x5n s VAL 48 N -3.89 -0.36 0.72 0.89 1.01 -1.26 -0.67 120.40 116.83 1x5n s VAL 48 Ca 0.10 0.29 -0.14 0.00 0.00 0.00 0.00 61.98 62.23 1x5n s VAL 48 Cb 0.02 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 36.03 1x5n s VAL 48 CO -0.05 0.12 1.13 -0.54 0.00 0.00 0.00 175.10 175.76 1x5n s LYS 49 N 2.31 2.41 -0.07 2.72 1.02 0.30 -4.95 119.74 123.47 1x5n s LYS 49 Ca 0.01 1.42 -0.30 0.00 0.02 0.00 0.00 55.97 57.12 1x5n s LYS 49 Cb -0.12 -1.90 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 1x5n s LYS 49 CO -0.08 -1.56 1.23 -1.25 -0.92 0.00 0.00 175.35 172.77 1x5n s PRO 50 N -4.29 4.32 -1.13 -1.68 0.04 -1.26 -2.88 135.00 128.13 1x5n s PRO 50 Ca 0.67 1.69 -0.00 0.00 0.04 0.00 0.00 61.00 63.40 1x5n s PRO 50 Cb -0.21 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.72 1x5n s PRO 50 CO 0.47 -0.51 0.01 0.41 0.04 0.00 0.00 177.00 177.41 1x5n n GLY 51 N 3.44 -0.17 1.93 0.56 0.00 -1.26 -5.01 105.19 104.67 1x5n n GLY 51 Ca 0.12 -0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 1x5n n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5n n SER 52 N -0.53 -0.15 0.25 1.61 3.41 -1.14 -4.74 113.62 112.33 1x5n n SER 52 Ca -0.16 -1.19 0.15 0.00 -0.26 0.00 0.00 58.87 57.42 1x5n n SER 52 Cb 0.62 -0.51 0.51 0.00 -0.26 0.00 0.00 64.21 64.56 1x5n n SER 52 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1x5n h LEU 53 N 0.00 0.00 0.04 1.04 5.85 -1.89 -1.04 115.31 119.31 1x5n h LEU 53 Ca -0.22 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.14 1x5n h LEU 53 Cb 0.60 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1x5n h LEU 53 CO 0.15 0.00 -2.20 -1.54 -0.34 0.00 0.00 178.44 174.51 1x5n n SER 54 N -3.03 1.43 0.07 1.25 3.41 -1.26 -4.04 113.62 111.45 1x5n n SER 54 Ca 0.02 0.08 -0.02 0.00 -0.26 0.00 0.00 58.87 58.68 1x5n n SER 54 Cb 0.37 -0.19 0.23 0.00 -0.26 0.00 0.00 64.21 64.36 1x5n n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x5n h ALA 55 N 0.39 1.13 -0.45 7.33 0.00 -1.73 0.58 119.26 126.51 1x5n h ALA 55 Ca -0.48 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.03 1x5n h ALA 55 Cb 2.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 1x5n h ALA 55 CO 0.01 0.56 0.20 1.05 0.00 0.00 0.00 179.25 181.07 1x5n h GLU 56 N 0.28 0.63 0.00 0.00 4.11 -1.35 -0.88 114.58 117.37 1x5n h GLU 56 Ca 0.03 -0.08 -0.03 0.00 0.07 0.00 0.00 59.36 59.36 1x5n h GLU 56 Cb 0.74 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1x5n h GLU 56 CO 0.06 0.51 -0.46 -0.39 0.07 0.00 0.00 179.01 178.80 1x5n h VAL 57 N 0.63 0.19 0.00 -1.06 -1.51 -1.59 -3.47 116.25 109.44 1x5n h VAL 57 Ca 0.16 -1.29 0.00 0.00 -1.23 0.00 0.00 66.70 64.33 1x5n h VAL 57 Cb 0.10 1.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 1x5n h VAL 57 CO -0.02 0.11 0.00 0.61 -1.23 0.00 0.00 177.57 177.04 1x5n n GLY 58 N 1.17 1.32 3.80 5.19 0.00 -0.33 -5.09 105.19 111.24 1x5n n GLY 58 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1x5n n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5n s LEU 59 N 0.00 4.49 0.26 0.99 1.43 0.19 -4.97 118.68 121.07 1x5n s LEU 59 Ca 0.00 1.19 0.02 0.00 -1.03 0.00 0.00 54.13 54.32 1x5n s LEU 59 Cb 0.00 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 1x5n s LEU 59 CO 0.00 0.23 0.17 -1.61 0.23 0.00 0.00 176.35 175.38 1x5n s GLU 60 N -0.84 1.43 0.29 1.70 2.02 -1.26 -4.31 118.70 117.73 1x5n s GLU 60 Ca 0.29 -1.79 -0.30 0.00 0.02 0.00 0.00 54.97 53.19 1x5n s GLU 60 Cb -0.19 0.20 -0.11 0.00 0.10 0.00 0.00 34.13 34.13 1x5n s GLU 60 CO 0.18 -0.47 1.61 0.42 0.02 0.00 0.00 175.26 177.02 1x5n s ILE 61 N -3.86 2.01 0.00 -1.63 1.01 -1.26 -2.37 121.20 115.10 1x5n s ILE 61 Ca 0.39 0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.05 1x5n s ILE 61 Cb 0.05 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.52 1x5n s ILE 61 CO 0.17 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1x5n n GLY 62 N 2.22 2.17 3.54 6.18 0.00 -1.21 -4.80 105.19 113.29 1x5n n GLY 62 Ca 0.09 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 1x5n n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x5n n ASP 63 N 0.17 1.75 -4.72 1.61 8.00 -1.00 -1.70 116.55 120.66 1x5n n ASP 63 Ca 0.00 -0.64 -0.41 0.00 0.71 0.00 0.00 54.79 54.45 1x5n n ASP 63 Cb 0.00 -1.46 -0.04 0.00 -0.02 0.00 0.00 41.12 39.59 1x5n n ASP 63 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1x5n s GLN 64 N 8.47 4.52 -0.43 -1.24 0.74 -1.26 -3.02 119.66 127.44 1x5n s GLN 64 Ca 1.04 1.17 -0.25 0.00 0.05 0.00 0.00 55.36 57.36 1x5n s GLN 64 Cb -0.34 -3.42 0.02 0.00 1.10 0.00 0.00 33.01 30.37 1x5n s GLN 64 CO 0.27 0.11 0.90 0.42 -0.55 0.00 0.00 175.29 176.43 1x5n s ILE 65 N 0.51 4.54 -0.10 -2.34 1.01 0.37 -3.37 121.20 121.83 1x5n s ILE 65 Ca 0.43 0.81 0.20 0.00 0.00 0.00 0.00 60.65 62.09 1x5n s ILE 65 Cb -0.20 -4.38 -0.29 0.00 0.01 0.00 0.00 42.46 37.59 1x5n s ILE 65 CO 0.24 -0.73 0.33 1.33 0.00 0.00 0.00 174.94 176.12 1x5n n VAL 66 N 6.24 0.59 -3.74 2.92 0.24 -0.72 -4.00 118.33 119.87 1x5n n VAL 66 Ca 0.06 -0.65 -0.12 0.00 -2.04 0.00 0.00 64.34 61.59 1x5n n VAL 66 Cb 0.48 -0.21 -0.07 0.00 -1.47 0.00 0.00 33.84 32.57 1x5n n VAL 66 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1x5n s GLU 67 N -3.09 0.81 -0.22 7.34 2.12 -1.08 -1.92 118.70 122.65 1x5n s GLU 67 Ca -0.09 -0.43 -0.05 0.00 0.36 0.00 0.00 54.97 54.77 1x5n s GLU 67 Cb 0.11 0.36 0.11 0.00 0.26 0.00 0.00 34.13 34.96 1x5n s GLU 67 CO 0.87 -0.26 0.43 0.08 -0.54 0.00 0.00 175.26 175.84 1x5n s VAL 68 N -2.35 -0.67 -1.64 3.70 1.01 -0.75 0.40 120.40 120.10 1x5n s VAL 68 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1x5n s VAL 68 Cb -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.62 1x5n s VAL 68 CO -0.02 0.00 0.00 -3.20 0.00 0.00 0.00 175.10 171.88 1x5n n ASN 69 N 5.39 -4.23 0.00 3.32 5.15 0.54 0.15 115.26 125.58 1x5n n ASN 69 Ca -0.07 0.38 0.00 0.00 -0.60 0.00 0.00 54.58 54.30 1x5n n ASN 69 Cb 0.50 -3.80 0.00 0.00 -0.53 0.00 0.00 39.78 35.94 1x5n n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x5n n GLY 70 N -0.26 0.82 3.83 8.20 0.00 -1.26 -4.90 105.19 111.63 1x5n n GLY 70 Ca -0.15 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1x5n n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5n s VAL 71 N -2.00 4.93 -1.08 1.61 1.01 0.39 -4.99 120.40 120.27 1x5n s VAL 71 Ca 0.00 0.91 -0.22 0.00 0.00 0.00 0.00 61.98 62.67 1x5n s VAL 71 Cb 0.00 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1x5n s VAL 71 CO 0.00 0.50 1.70 -0.62 0.00 0.00 0.00 175.10 176.69 1x5n s ASP 72 N -1.23 6.05 -0.12 3.32 -1.08 -1.26 -1.81 116.67 120.53 1x5n s ASP 72 Ca 0.28 -1.53 0.08 0.00 -0.52 0.00 0.00 52.55 50.85 1x5n s ASP 72 Cb -0.17 -2.57 0.43 0.00 -1.46 0.00 0.00 42.92 39.15 1x5n s ASP 72 CO 0.16 -1.95 1.17 0.49 0.52 0.00 0.00 175.17 175.56 1x5n n PHE 73 N 10.76 1.08 0.07 -5.34 3.01 -0.81 -4.22 117.46 122.02 1x5n n PHE 73 Ca 0.40 -0.38 -0.09 0.00 1.01 0.00 0.00 57.45 58.40 1x5n n PHE 73 Cb 0.48 -0.31 -0.06 0.00 -0.01 0.00 0.00 39.48 39.59 1x5n n PHE 73 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1x5n h SER 74 N 2.13 -0.23 -1.33 4.37 0.87 -1.71 -3.36 113.55 114.29 1x5n h SER 74 Ca 0.00 -0.22 -0.62 0.00 -1.23 0.00 0.00 61.79 59.72 1x5n h SER 74 Cb 1.25 0.06 -0.38 0.00 -0.44 0.00 0.00 62.40 62.89 1x5n h SER 74 CO 0.25 0.30 -0.25 -0.46 -0.53 0.00 0.00 176.83 176.14 1x5n n ASN 75 N -4.95 5.62 -2.18 6.23 0.23 -1.26 -3.93 115.26 115.02 1x5n n ASN 75 Ca -0.06 -3.76 0.00 0.00 -0.53 0.00 0.00 54.58 50.23 1x5n n ASN 75 Cb 0.22 -0.59 0.00 0.00 -2.08 0.00 0.00 39.78 37.33 1x5n n ASN 75 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1x5n n LEU 76 N -0.61 0.00 -4.35 -4.53 4.77 -1.26 -5.05 117.00 105.97 1x5n n LEU 76 Ca 0.46 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 56.26 1x5n n LEU 76 Cb 0.67 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.66 1x5n n LEU 76 CO 0.44 -0.27 -0.27 -0.62 -1.33 0.00 0.00 177.39 175.33 1x5n s ASP 77 N -1.00 1.60 0.00 -1.43 2.15 -1.26 -4.83 116.67 111.89 1x5n s ASP 77 Ca 0.00 -1.35 0.20 0.00 0.43 0.00 0.00 52.55 51.83 1x5n s ASP 77 Cb 0.00 0.07 0.95 0.00 -0.30 0.00 0.00 42.92 43.64 1x5n s ASP 77 CO 0.00 -0.66 1.64 1.57 -0.17 0.00 0.00 175.17 177.55 1x5n n HIS 78 N -0.51 0.00 -0.05 -5.34 -0.00 -1.26 0.60 115.22 108.66 1x5n n HIS 78 Ca -0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.67 1x5n n HIS 78 Cb 0.66 -0.37 -0.09 0.00 -0.00 0.00 0.00 29.99 30.19 1x5n n HIS 78 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1x5n n LYS 79 N -1.37 1.97 0.04 1.57 5.02 -1.26 -4.09 118.16 120.04 1x5n n LYS 79 Ca 0.08 -0.02 -0.17 0.00 -2.02 0.00 0.00 58.31 56.18 1x5n n LYS 79 Cb 0.19 -1.28 -0.14 0.00 -0.02 0.00 0.00 35.03 33.78 1x5n n LYS 79 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1x5n h GLU 80 N 0.00 0.23 0.00 1.97 4.39 -1.87 -1.59 114.58 117.71 1x5n h GLU 80 Ca -0.25 -0.40 -0.00 0.00 0.34 0.00 0.00 59.36 59.05 1x5n h GLU 80 Cb 1.50 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 30.30 1x5n h GLU 80 CO 0.01 1.07 -0.01 0.00 -1.16 0.00 0.00 179.01 178.92 1x5n h ALA 81 N 0.46 1.00 0.11 3.43 0.00 -0.09 -1.92 119.26 122.24 1x5n h ALA 81 Ca -0.28 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.26 1x5n h ALA 81 Cb 2.02 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.79 1x5n h ALA 81 CO 0.14 0.01 -2.01 0.28 0.00 0.00 0.00 179.25 177.67 1x5n n VAL 82 N -3.10 1.75 -0.28 0.00 0.31 -1.24 -2.59 118.33 113.17 1x5n n VAL 82 Ca 0.02 -0.66 -0.05 0.00 -0.01 0.00 0.00 64.34 63.63 1x5n n VAL 82 Cb 0.39 -1.65 0.06 0.00 -0.91 0.00 0.00 33.84 31.74 1x5n n VAL 82 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1x5n h ASN 83 N 0.06 0.94 0.38 4.52 2.35 -1.19 1.55 115.58 124.20 1x5n h ASN 83 Ca -0.43 -0.08 -0.18 0.00 -0.55 0.00 0.00 56.30 55.07 1x5n h ASN 83 Cb 2.03 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 40.15 1x5n h ASN 83 CO 0.08 0.75 -0.74 0.58 -1.65 0.00 0.00 177.43 176.44 1x5n h VAL 84 N 1.06 1.41 -0.00 2.81 2.07 -1.50 0.78 116.25 122.88 1x5n h VAL 84 Ca 0.27 -2.24 -0.15 0.00 0.82 0.00 0.00 66.70 65.40 1x5n h VAL 84 Cb -0.01 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1x5n h VAL 84 CO -0.05 0.66 -0.72 -0.07 0.02 0.00 0.00 177.57 177.42 1x5n h LEU 85 N 0.20 0.03 -1.50 2.57 3.38 -1.09 -2.81 115.31 116.09 1x5n h LEU 85 Ca -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1x5n h LEU 85 Cb 1.32 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1x5n h LEU 85 CO 0.12 0.74 -0.12 2.29 0.09 0.00 0.00 178.44 181.56 1x5n n LYS 86 N -3.70 1.90 0.33 1.13 2.85 0.52 -4.41 118.16 116.78 1x5n n LYS 86 Ca -0.01 -1.50 -0.13 0.00 -1.05 0.00 0.00 58.31 55.62 1x5n n LYS 86 Cb 0.70 -1.47 -0.06 0.00 -0.65 0.00 0.00 35.03 33.55 1x5n n LYS 86 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1x5n h SER 87 N 3.66 -0.73 -0.58 -5.58 0.87 0.87 -3.47 113.55 108.59 1x5n h SER 87 Ca 0.00 0.03 -0.67 0.00 -1.23 0.00 0.00 61.79 59.91 1x5n h SER 87 Cb 0.84 0.19 -0.13 0.00 -0.44 0.00 0.00 62.40 62.86 1x5n h SER 87 CO 0.00 -0.45 -0.52 -0.55 -0.53 0.00 0.00 176.83 174.79 1x5n s SER 88 N -3.80 4.03 -0.16 6.23 0.15 -1.25 -5.07 113.70 113.82 1x5n s SER 88 Ca -0.13 -1.66 -0.12 0.00 0.70 0.00 0.00 55.95 54.75 1x5n s SER 88 Cb 0.01 0.52 -0.06 0.00 -1.71 0.00 0.00 66.02 64.78 1x5n s SER 88 CO 0.38 -0.86 -0.14 0.54 1.20 0.00 0.00 173.24 174.36 1x5n n ARG 89 N -1.24 0.48 -2.66 5.44 5.12 -1.26 -4.81 116.66 117.73 1x5n n ARG 89 Ca -0.18 0.50 -0.43 0.00 -1.93 0.00 0.00 57.85 55.81 1x5n n ARG 89 Cb 0.67 -1.67 -0.03 0.00 -1.16 0.00 0.00 32.46 30.27 1x5n n ARG 89 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1x5n s SER 90 N -5.97 6.58 0.01 0.55 0.01 -1.25 -2.21 113.70 111.42 1x5n s SER 90 Ca -0.19 0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.42 1x5n s SER 90 Cb 0.03 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 1x5n s SER 90 CO 0.31 -1.21 -0.05 -0.76 0.41 0.00 0.00 173.24 171.94 1x5n s LEU 91 N 4.29 2.09 -0.49 2.44 1.43 -0.17 -4.98 118.68 123.30 1x5n s LEU 91 Ca 0.45 -0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.17 1x5n s LEU 91 Cb -0.08 -0.15 0.10 0.00 0.03 0.00 0.00 46.19 46.09 1x5n s LEU 91 CO 0.30 -0.06 0.40 -0.89 0.23 0.00 0.00 176.35 176.34 1x5n s THR 92 N -0.56 4.94 -0.01 5.49 2.01 -1.26 0.15 115.64 126.40 1x5n s THR 92 Ca -0.03 -1.36 -0.20 0.00 0.31 0.00 0.00 61.69 60.41 1x5n s THR 92 Cb -0.04 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 1x5n s THR 92 CO -0.00 -0.69 0.58 -0.63 -0.69 0.00 0.00 174.62 173.19 1x5n s ILE 93 N 1.56 4.92 -0.32 1.82 1.01 0.22 0.20 121.20 130.61 1x5n s ILE 93 Ca 0.04 1.21 0.01 0.00 0.00 0.00 0.00 60.65 61.91 1x5n s ILE 93 Cb -0.26 -3.92 0.07 0.00 0.01 0.00 0.00 42.46 38.37 1x5n s ILE 93 CO 0.04 0.43 0.02 -0.44 0.00 0.00 0.00 174.94 174.98 1x5n s SER 94 N -0.23 4.81 0.52 3.58 0.01 0.16 0.08 113.70 122.63 1x5n s SER 94 Ca 0.30 -1.63 0.08 0.00 1.31 0.00 0.00 55.95 56.02 1x5n s SER 94 Cb -0.18 -1.67 0.04 0.00 0.21 0.00 0.00 66.02 64.42 1x5n s SER 94 CO 0.17 -0.32 0.58 0.27 0.41 0.00 0.00 173.24 174.35 1x5n s ILE 95 N 1.12 2.19 -0.31 1.44 -4.36 -0.93 -1.76 121.20 118.59 1x5n s ILE 95 Ca -0.00 -1.21 0.08 0.00 -0.26 0.00 0.00 60.65 59.26 1x5n s ILE 95 Cb -0.20 -2.40 0.47 0.00 1.25 0.00 0.00 42.46 41.58 1x5n s ILE 95 CO -0.04 0.00 1.38 0.52 0.24 0.00 0.00 174.94 177.04 1x5n n VAL 96 N -1.93 2.57 -2.99 8.37 0.31 -1.22 -1.78 118.33 121.67 1x5n n VAL 96 Ca 0.08 -3.32 -0.01 0.00 -0.01 0.00 0.00 64.34 61.07 1x5n n VAL 96 Cb 0.62 -0.62 -0.01 0.00 -0.91 0.00 0.00 33.84 32.93 1x5n n VAL 96 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5n n ALA 97 N -0.99 -2.12 -3.88 3.52 0.00 -0.98 -3.48 120.51 112.59 1x5n n ALA 97 Ca 0.36 0.47 -0.37 0.00 0.00 0.00 0.00 53.44 53.91 1x5n n ALA 97 Cb 0.91 -1.28 0.02 0.00 0.00 0.00 0.00 19.45 19.10 1x5n n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x5n n ALA 98 N 1.74 -2.50 0.15 0.00 0.00 -1.26 -4.89 120.51 113.75 1x5n n ALA 98 Ca -0.07 -0.38 -0.06 0.00 0.00 0.00 0.00 53.44 52.93 1x5n n ALA 98 Cb 0.27 -3.19 -0.03 0.00 0.00 0.00 0.00 19.45 16.51 1x5n n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x5n h ALA 99 N 1.12 -1.03 -1.44 0.00 0.00 -1.36 -3.30 119.26 113.25 1x5n h ALA 99 Ca -0.68 -0.08 -0.75 0.00 0.00 0.00 0.00 54.91 53.40 1x5n h ALA 99 Cb 1.38 0.14 -0.31 0.00 0.00 0.00 0.00 17.79 19.01 1x5n h ALA 99 CO 0.52 -1.00 0.62 0.41 0.00 0.00 0.00 179.25 179.80 1x5n n GLY 100 N -0.97 5.95 0.16 0.00 0.00 -0.92 -4.70 105.19 104.71 1x5n n GLY 100 Ca -0.05 -2.62 -0.04 0.00 0.00 0.00 0.00 46.02 43.32 1x5n n GLY 100 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1x5n h ARG 101 N 3.73 0.15 -0.29 1.61 2.43 -1.69 -2.88 114.38 117.44 1x5n h ARG 101 Ca 0.45 -0.10 0.05 0.00 -0.81 0.00 0.00 59.98 59.57 1x5n h ARG 101 Cb 0.34 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1x5n h ARG 101 CO 1.13 0.71 0.20 1.05 -1.51 0.00 0.00 179.97 181.54 1x5n h GLU 102 N 0.11 0.15 -0.73 0.20 4.11 -1.89 -1.23 114.58 115.30 1x5n h GLU 102 Ca -0.01 -0.01 0.15 0.00 0.07 0.00 0.00 59.36 59.56 1x5n h GLU 102 Cb 1.10 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.21 1x5n h GLU 102 CO 0.09 0.10 0.24 -0.07 0.07 0.00 0.00 179.01 179.44 1x5n h LEU 103 N 0.16 0.17 -5.99 3.06 3.38 -1.90 -1.71 115.31 112.47 1x5n h LEU 103 Ca 0.13 0.12 -0.78 0.00 0.09 0.00 0.00 57.88 57.44 1x5n h LEU 103 Cb 0.32 0.13 -0.23 0.00 0.09 0.00 0.00 40.66 40.98 1x5n h LEU 103 CO -0.02 0.05 1.43 0.49 0.09 0.00 0.00 178.44 180.47 1x5n n PHE 104 N -5.07 2.71 -3.25 1.13 3.72 -0.46 -4.91 117.46 111.34 1x5n n PHE 104 Ca 0.14 -2.61 -0.46 0.00 -0.05 0.00 0.00 57.45 54.46 1x5n n PHE 104 Cb 0.42 -1.39 -0.02 0.00 -0.94 0.00 0.00 39.48 37.55 1x5n n PHE 104 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 1x5n s MET 105 N -3.36 3.54 -0.28 -1.08 -1.94 -0.65 -4.96 119.30 110.57 1x5n s MET 105 Ca 0.44 -2.24 -0.22 0.00 -1.71 0.00 0.00 55.69 51.96 1x5n s MET 105 Cb 0.20 -4.50 0.12 0.00 2.01 0.00 0.00 34.83 32.66 1x5n s MET 105 CO -0.13 -1.39 0.97 -0.08 -0.01 0.00 0.00 175.02 174.38 1x5n s THR 106 N 0.81 0.00 0.40 2.05 -1.32 -1.26 -5.14 115.64 111.18 1x5n s THR 106 Ca 0.19 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.75 1x5n s THR 106 Cb -0.11 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 1x5n s THR 106 CO -0.08 0.00 0.52 -1.81 -2.21 0.00 0.00 174.62 171.04 1x5n s ASP 107 N 0.58 5.62 0.33 8.08 1.11 -1.26 -4.97 116.67 126.16 1x5n s ASP 107 Ca -0.01 -0.43 0.00 0.00 0.18 0.00 0.00 52.55 52.30 1x5n s ASP 107 Cb -0.05 -0.76 0.00 0.00 1.07 0.00 0.00 42.92 43.19 1x5n s ASP 107 CO -0.08 -0.67 0.00 -1.14 1.18 0.00 0.00 175.17 174.45 1x5n n ARG 108 N -1.76 -4.63 -3.64 8.23 0.63 -1.26 -5.07 116.66 109.16 1x5n n ARG 108 Ca 0.06 3.34 -0.13 0.00 -0.92 0.00 0.00 57.85 60.20 1x5n n ARG 108 Cb 0.59 -3.67 -0.07 0.00 0.45 0.00 0.00 32.46 29.76 1x5n n ARG 108 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1x5n s SER 109 N -1.80 -0.76 -0.34 6.15 1.04 -1.26 -5.13 113.70 111.60 1x5n s SER 109 Ca 0.00 1.43 -0.01 0.00 0.48 0.00 0.00 55.95 57.85 1x5n s SER 109 Cb 0.00 1.43 0.12 0.00 0.10 0.00 0.00 66.02 67.67 1x5n s SER 109 CO 0.00 -0.24 0.16 -0.83 0.98 0.00 0.00 173.24 173.31 1x5n s GLY 110 N 0.52 1.00 0.66 7.32 0.00 -1.26 -5.13 107.32 110.44 1x5n s GLY 110 Ca -0.01 -1.77 -0.12 0.00 0.00 0.00 0.00 44.72 42.82 1x5n s GLY 110 CO -0.01 1.82 1.06 2.56 0.00 0.00 0.00 173.10 178.52 1x5n s PRO 111 N 1.35 3.08 -0.07 2.90 0.04 -1.26 -5.08 135.00 135.96 1x5n s PRO 111 Ca 0.13 1.02 -0.03 0.00 0.04 0.00 0.00 61.00 62.15 1x5n s PRO 111 Cb -0.20 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.37 1x5n s PRO 111 CO -0.17 -0.99 0.16 -1.12 0.04 0.00 0.00 177.00 174.93 1x5n s SER 112 N -3.51 -0.14 0.33 6.66 0.01 -1.26 -5.03 113.70 110.77 1x5n s SER 112 Ca 0.59 0.34 0.00 0.00 1.31 0.00 0.00 55.95 58.19 1x5n s SER 112 Cb -0.14 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1x5n s SER 112 CO 0.49 -0.14 0.00 -0.24 0.41 0.00 0.00 173.24 173.76 1x5n n SER 113 N 4.08 0.00 0.00 2.44 2.88 -1.26 -5.38 113.62 116.38 1x5n n SER 113 Ca -0.25 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.29 1x5n n SER 113 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1x5n n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42