#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 -0.41 -0.30 1.61 1.04 -1.26 -5.15 113.70 109.23 1x5n s SER 2 Ca 0.00 0.99 -0.29 0.00 0.48 0.00 0.00 55.95 57.14 1x5n s SER 2 Cb 0.00 1.15 0.20 0.00 0.10 0.00 0.00 66.02 67.47 1x5n s SER 2 CO 0.00 -0.22 1.40 -0.55 0.98 0.00 0.00 173.24 174.86 1x5n s SER 3 N 2.10 -0.00 -0.33 7.02 0.15 -1.26 -5.13 113.70 116.25 1x5n s SER 3 Ca -0.05 0.00 -0.01 0.00 0.70 0.00 0.00 55.95 56.59 1x5n s SER 3 Cb -0.10 0.00 0.13 0.00 -1.71 0.00 0.00 66.02 64.34 1x5n s SER 3 CO -0.13 -0.00 0.18 -0.83 1.20 0.00 0.00 173.24 173.66 1x5n s GLY 4 N -0.93 0.77 -0.30 9.45 0.00 -1.26 -5.07 107.32 109.98 1x5n s GLY 4 Ca 0.10 -1.63 -0.18 0.00 0.00 0.00 0.00 44.72 43.01 1x5n s GLY 4 CO -0.09 2.06 1.24 -0.56 0.00 0.00 0.00 173.10 175.74 1x5n s SER 5 N 1.40 -0.09 -0.22 1.64 0.01 -1.26 -5.03 113.70 110.15 1x5n s SER 5 Ca 0.15 0.07 0.12 0.00 1.31 0.00 0.00 55.95 57.59 1x5n s SER 5 Cb -0.21 1.08 0.43 0.00 0.21 0.00 0.00 66.02 67.54 1x5n s SER 5 CO -0.12 -0.02 1.30 -0.24 0.41 0.00 0.00 173.24 174.57 1x5n n SER 6 N 5.26 2.17 -0.91 2.44 2.88 -1.26 -5.10 113.62 119.11 1x5n n SER 6 Ca -0.09 -3.70 0.06 0.00 -1.33 0.00 0.00 58.87 53.82 1x5n n SER 6 Cb 0.55 -0.55 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1x5n n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5n n GLY 7 N -1.13 -1.01 2.67 0.46 0.00 -1.26 -4.77 105.19 100.15 1x5n n GLY 7 Ca 0.23 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 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 -4.73 3.14 0.61 1.61 1.04 -1.26 -5.14 113.70 108.98 1x5n s SER 8 Ca 0.00 -1.03 -0.14 0.00 0.48 0.00 0.00 55.95 55.26 1x5n s SER 8 Cb 0.00 -0.53 -0.03 0.00 0.10 0.00 0.00 66.02 65.57 1x5n s SER 8 CO 0.00 -0.36 1.05 -2.16 0.98 0.00 0.00 173.24 172.75 1x5n s PRO 9 N 1.92 3.28 0.00 4.02 0.04 -1.26 -4.95 135.00 138.05 1x5n s PRO 9 Ca 0.04 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1x5n s PRO 9 Cb -0.17 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1x5n s PRO 9 CO -0.17 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 176.44 1x5n n GLY 10 N -1.32 3.27 0.00 0.56 0.00 -1.26 -5.17 105.19 101.27 1x5n n GLY 10 Ca 0.08 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1x5n n GLY 10 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x5n n ASN 11 N 0.00 0.00 -3.69 1.61 5.15 -1.26 -5.17 115.26 111.90 1x5n n ASN 11 Ca 0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 1x5n n ASN 11 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 1x5n n ASN 11 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1x5n s ARG 12 N -2.00 0.43 0.31 1.20 0.52 -1.26 -5.17 118.95 112.99 1x5n s ARG 12 Ca 0.00 0.81 0.03 0.00 -0.52 0.00 0.00 55.73 56.05 1x5n s ARG 12 Cb 0.00 0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.44 1x5n s ARG 12 CO 0.00 -0.15 0.11 -2.00 0.02 0.00 0.00 175.30 173.28 1x5n s GLU 13 N 1.31 1.60 0.01 3.54 2.56 -1.26 -5.03 118.70 121.43 1x5n s GLU 13 Ca -0.09 -1.91 0.00 0.00 0.00 0.00 0.00 54.97 52.97 1x5n s GLU 13 Cb -0.08 -0.40 0.00 0.00 2.00 0.00 0.00 34.13 35.66 1x5n s GLU 13 CO -0.12 -0.35 0.00 0.09 -0.56 0.00 0.00 175.26 174.32 1x5n n ASN 14 N -0.79 -0.05 -4.96 -1.70 3.02 -1.26 -5.15 115.26 104.37 1x5n n ASN 14 Ca -0.01 0.30 -0.21 0.00 -0.03 0.00 0.00 54.58 54.63 1x5n n ASN 14 Cb 0.66 0.34 0.04 0.00 -0.61 0.00 0.00 39.78 40.20 1x5n n ASN 14 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1x5n s LYS 15 N -2.00 2.52 -0.06 3.52 0.00 -1.26 -4.75 119.74 117.70 1x5n s LYS 15 Ca 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 55.97 55.05 1x5n s LYS 15 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 37.83 35.31 1x5n s LYS 15 CO 0.00 -0.70 0.02 0.39 0.00 0.00 0.00 175.35 175.06 1x5n n GLU 16 N -2.29 -0.82 -4.80 1.78 1.02 -1.25 -4.93 120.64 109.35 1x5n n GLU 16 Ca 0.09 1.11 -0.33 0.00 -0.02 0.00 0.00 57.16 58.01 1x5n n GLU 16 Cb 0.60 -1.72 -0.13 0.00 -0.02 0.00 0.00 31.44 30.18 1x5n n GLU 16 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1x5n s LYS 17 N -1.15 2.49 -0.21 3.49 -2.85 0.11 -4.97 119.74 116.65 1x5n s LYS 17 Ca 0.01 -0.71 -0.19 0.00 -1.00 0.00 0.00 55.97 54.09 1x5n s LYS 17 Cb -0.00 -2.40 -0.03 0.00 -2.06 0.00 0.00 37.83 33.34 1x5n s LYS 17 CO 0.15 0.62 0.53 0.21 0.10 0.00 0.00 175.35 176.96 1x5n s LYS 18 N -0.87 4.17 -0.19 1.78 2.20 -1.26 -1.52 119.74 124.03 1x5n s LYS 18 Ca 0.12 0.42 0.01 0.00 -0.36 0.00 0.00 55.97 56.17 1x5n s LYS 18 Cb -0.11 -3.58 0.03 0.00 -1.51 0.00 0.00 37.83 32.66 1x5n s LYS 18 CO 0.02 -0.21 -0.15 0.14 -0.36 0.00 0.00 175.35 174.79 1x5n s VAL 19 N 1.83 1.91 -0.34 4.02 -7.23 0.31 -4.99 120.40 115.91 1x5n s VAL 19 Ca 0.24 -1.03 -0.18 0.00 -1.81 0.00 0.00 61.98 59.20 1x5n s VAL 19 Cb -0.15 -1.84 -0.01 0.00 0.56 0.00 0.00 36.38 34.93 1x5n s VAL 19 CO 0.09 0.34 0.48 0.12 -0.31 0.00 0.00 175.10 175.83 1x5n s PHE 20 N 1.31 3.19 -0.34 2.82 2.19 -1.26 0.48 117.98 126.37 1x5n s PHE 20 Ca 0.01 0.17 -0.07 0.00 0.33 0.00 0.00 56.93 57.37 1x5n s PHE 20 Cb -0.15 -2.87 0.04 0.00 -1.31 0.00 0.00 43.02 38.73 1x5n s PHE 20 CO -0.10 -0.51 0.11 0.42 1.83 0.00 0.00 175.22 176.97 1x5n s ILE 21 N 2.32 3.86 -0.21 3.12 -1.09 0.12 -4.96 121.20 124.36 1x5n s ILE 21 Ca 0.17 -1.06 -0.04 0.00 -2.23 0.00 0.00 60.65 57.50 1x5n s ILE 21 Cb -0.16 -3.16 -0.01 0.00 -1.58 0.00 0.00 42.46 37.55 1x5n s ILE 21 CO 0.13 -0.16 -0.05 -0.94 -1.23 0.00 0.00 174.94 172.69 1x5n s SER 22 N 1.42 4.30 -0.79 3.58 1.04 -1.25 -1.47 113.70 120.54 1x5n s SER 22 Ca -0.01 -0.37 -0.07 0.00 0.48 0.00 0.00 55.95 55.98 1x5n s SER 22 Cb -0.19 -1.73 -0.10 0.00 0.10 0.00 0.00 66.02 64.09 1x5n s SER 22 CO 0.03 0.00 3.10 0.18 0.98 0.00 0.00 173.24 177.53 1x5n n LEU 23 N 4.66 6.99 -4.40 2.42 7.99 -0.18 -4.84 117.00 129.63 1x5n n LEU 23 Ca -0.18 -3.95 -0.20 0.00 -0.01 0.00 0.00 56.01 51.67 1x5n n LEU 23 Cb 0.51 -1.43 -0.10 0.00 -0.11 0.00 0.00 43.42 42.29 1x5n n LEU 23 CO 0.29 1.88 -0.32 0.68 -1.51 0.00 0.00 177.39 178.42 1x5n s VAL 24 N 0.53 1.25 -0.96 4.08 -7.23 -1.26 -4.75 120.40 112.07 1x5n s VAL 24 Ca 0.65 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.76 1x5n s VAL 24 Cb 0.27 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 1x5n s VAL 24 CO -0.07 -0.19 0.81 0.61 -0.31 0.00 0.00 175.10 175.94 1x5n n GLY 25 N -0.56 -0.37 3.75 2.32 0.00 -1.26 -3.54 105.19 105.52 1x5n n GLY 25 Ca -0.04 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.80 -5.12 -3.72 1.61 3.41 -1.26 -4.98 113.62 100.77 1x5n n SER 26 Ca -0.19 -0.93 -0.13 0.00 -0.26 0.00 0.00 58.87 57.35 1x5n n SER 26 Cb 0.63 -2.27 -0.14 0.00 -0.26 0.00 0.00 64.21 62.17 1x5n n SER 26 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1x5n s ARG 27 N -5.28 0.14 -0.07 4.33 0.52 -1.23 -5.15 118.95 112.21 1x5n s ARG 27 Ca 0.14 0.52 0.03 0.00 -0.52 0.00 0.00 55.73 55.90 1x5n s ARG 27 Cb -0.07 -0.15 0.01 0.00 0.52 0.00 0.00 34.95 35.26 1x5n s ARG 27 CO 0.89 -0.20 -0.15 0.20 0.02 0.00 0.00 175.30 176.06 1x5n s GLY 28 N 1.53 0.91 0.40 -3.53 0.00 -1.26 -4.17 107.32 101.20 1x5n s GLY 28 Ca -0.06 -0.56 -0.22 0.00 0.00 0.00 0.00 44.72 43.88 1x5n s GLY 28 CO -0.07 -0.04 0.21 -0.10 0.00 0.00 0.00 173.10 173.09 1x5n n LEU 29 N 3.64 -2.15 -1.27 0.66 7.94 -1.26 -4.29 117.00 120.27 1x5n n LEU 29 Ca -0.21 0.85 0.04 0.00 -1.11 0.00 0.00 56.01 55.57 1x5n n LEU 29 Cb 0.52 -0.94 0.03 0.00 0.53 0.00 0.00 43.42 43.57 1x5n n LEU 29 CO 0.26 -3.85 0.12 0.61 -1.11 0.00 0.00 177.39 173.41 1x5n n GLY 30 N 2.20 1.29 3.28 -3.96 0.00 -1.26 -4.86 105.19 101.88 1x5n n GLY 30 Ca 0.12 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.63 6.67 0.05 0.00 0.15 0.21 -4.95 113.70 115.20 1x5n s SER 32 Ca 0.09 0.80 0.08 0.00 0.70 0.00 0.00 55.95 57.63 1x5n s SER 32 Cb -0.09 -2.19 -0.03 0.00 -1.71 0.00 0.00 66.02 62.00 1x5n s SER 32 CO -0.01 0.29 -0.21 0.27 1.20 0.00 0.00 173.24 174.78 1x5n s ILE 33 N -1.18 2.59 0.29 6.45 -4.36 -1.26 0.73 121.20 124.46 1x5n s ILE 33 Ca 0.25 -1.30 0.03 0.00 -0.26 0.00 0.00 60.65 59.37 1x5n s ILE 33 Cb -0.15 -2.08 -0.06 0.00 1.25 0.00 0.00 42.46 41.42 1x5n s ILE 33 CO 0.14 0.31 0.07 -0.55 0.24 0.00 0.00 174.94 175.15 1x5n s SER 34 N -1.47 1.85 -0.20 4.36 0.15 0.34 -4.83 113.70 113.90 1x5n s SER 34 Ca 0.14 -1.37 -0.06 0.00 0.70 0.00 0.00 55.95 55.36 1x5n s SER 34 Cb -0.10 0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.20 1x5n s SER 34 CO 0.05 -0.65 0.03 -0.94 1.20 0.00 0.00 173.24 172.93 1x5n s SER 35 N -3.40 5.14 1.04 5.45 1.04 -1.26 -2.24 113.70 119.47 1x5n s SER 35 Ca 0.36 -0.11 -0.14 0.00 0.48 0.00 0.00 55.95 56.54 1x5n s SER 35 Cb 0.08 -1.88 0.21 0.00 0.10 0.00 0.00 66.02 64.53 1x5n s SER 35 CO 0.14 0.09 1.11 -0.83 0.98 0.00 0.00 173.24 174.73 1x5n s GLY 36 N 0.86 1.57 0.27 7.32 0.00 -1.09 -4.94 107.32 111.32 1x5n s GLY 36 Ca 0.02 -0.57 -0.05 0.00 0.00 0.00 0.00 44.72 44.12 1x5n s GLY 36 CO 0.02 0.11 0.30 -1.55 0.00 0.00 0.00 173.10 171.99 1x5n n PRO 37 N -4.28 -0.92 0.14 2.90 -0.04 -1.11 -4.49 135.00 127.20 1x5n n PRO 37 Ca 0.07 -0.47 -0.01 0.00 -0.04 0.00 0.00 63.50 63.05 1x5n n PRO 37 Cb 0.58 -0.37 0.17 0.00 -0.04 0.00 0.00 33.50 33.84 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 -1.49 1.45 0.01 0.52 6.09 -1.97 0.56 117.51 122.67 1x5n h ILE 38 Ca -0.10 -2.13 -0.19 0.00 -1.37 0.00 0.00 64.86 61.06 1x5n h ILE 38 Cb 0.30 2.15 -0.02 0.00 0.47 0.00 0.00 36.82 39.72 1x5n h ILE 38 CO 0.07 0.61 -0.91 0.06 -3.07 0.00 0.00 178.15 174.91 1x5n h GLN 39 N 0.00 0.04 -2.05 2.19 3.07 -2.04 -3.36 115.11 112.96 1x5n h GLN 39 Ca -0.01 -0.05 -0.51 0.00 0.09 0.00 0.00 58.65 58.17 1x5n h GLN 39 Cb 1.10 0.02 -0.40 0.00 0.08 0.00 0.00 27.48 28.28 1x5n h GLN 39 CO 0.08 0.92 -1.09 1.17 0.09 0.00 0.00 178.83 180.00 1x5n n LYS 40 N -3.50 1.29 -2.53 0.06 4.81 -1.10 -5.11 118.16 112.08 1x5n n LYS 40 Ca -0.01 -3.60 -0.37 0.00 -0.87 0.00 0.00 58.31 53.46 1x5n n LYS 40 Cb 0.86 -1.72 -0.04 0.00 0.02 0.00 0.00 35.03 34.14 1x5n n LYS 40 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1x5n s PRO 41 N -2.39 4.17 0.00 1.64 0.04 0.19 -2.77 135.00 135.89 1x5n s PRO 41 Ca 0.40 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1x5n s PRO 41 Cb 0.31 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1x5n s PRO 41 CO -0.09 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1x5n n GLY 42 N 0.36 -0.12 2.98 0.56 0.00 -1.25 -4.83 105.19 102.90 1x5n n GLY 42 Ca 0.05 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 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 -3.17 1.80 -0.03 -0.61 -1.09 -1.26 -2.67 121.20 114.17 1x5n s ILE 43 Ca 0.00 -1.49 0.07 0.00 -2.23 0.00 0.00 60.65 56.99 1x5n s ILE 43 Cb 0.00 -2.05 -0.02 0.00 -1.58 0.00 0.00 42.46 38.81 1x5n s ILE 43 CO 0.00 -0.16 -0.23 -0.36 -1.23 0.00 0.00 174.94 172.97 1x5n s PHE 44 N 1.25 2.45 0.36 3.97 0.40 -0.95 0.15 117.98 125.62 1x5n s PHE 44 Ca -0.04 -0.40 -0.27 0.00 -0.60 0.00 0.00 56.93 55.61 1x5n s PHE 44 Cb -0.19 -1.55 -0.09 0.00 0.51 0.00 0.00 43.02 41.69 1x5n s PHE 44 CO -0.07 -0.00 1.27 0.42 0.70 0.00 0.00 175.22 177.54 1x5n s ILE 45 N -0.58 2.80 -0.18 0.64 1.01 -1.17 -0.50 121.20 123.21 1x5n s ILE 45 Ca 0.09 0.75 0.05 0.00 0.00 0.00 0.00 60.65 61.53 1x5n s ILE 45 Cb -0.11 -3.46 -0.14 0.00 0.01 0.00 0.00 42.46 38.77 1x5n s ILE 45 CO -0.00 0.14 -0.11 -1.54 0.00 0.00 0.00 174.94 173.44 1x5n n SER 46 N 0.49 2.21 -3.83 3.58 3.41 0.22 -3.50 113.62 116.20 1x5n n SER 46 Ca 0.02 -0.07 -0.09 0.00 -0.26 0.00 0.00 58.87 58.46 1x5n n SER 46 Cb 0.43 0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 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 -2.37 0.08 -0.10 7.33 5.65 -1.21 -4.87 115.29 119.80 1x5n s HIS 47 Ca -0.20 -0.44 -0.04 0.00 0.25 0.00 0.00 55.06 54.63 1x5n s HIS 47 Cb 0.06 0.24 0.05 0.00 -1.18 0.00 0.00 32.58 31.75 1x5n s HIS 47 CO 0.48 -0.87 0.23 0.08 -0.65 0.00 0.00 174.74 174.01 1x5n s VAL 48 N -3.92 -0.19 0.65 0.89 1.01 -1.26 -0.62 120.40 116.97 1x5n s VAL 48 Ca 0.13 0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.19 1x5n s VAL 48 Cb 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 36.01 1x5n s VAL 48 CO -0.01 0.09 1.08 -0.54 0.00 0.00 0.00 175.10 175.73 1x5n s LYS 49 N 1.75 2.93 0.02 2.72 1.02 0.34 -4.97 119.74 123.55 1x5n s LYS 49 Ca -0.04 1.26 -0.30 0.00 0.02 0.00 0.00 55.97 56.90 1x5n s LYS 49 Cb -0.11 -1.98 -0.05 0.00 -0.52 0.00 0.00 37.83 35.17 1x5n s LYS 49 CO -0.08 -1.13 1.18 -1.25 -0.92 0.00 0.00 175.35 173.15 1x5n s PRO 50 N -4.28 4.42 -0.49 -1.68 0.04 -1.26 -2.68 135.00 129.06 1x5n s PRO 50 Ca 0.64 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1x5n s PRO 50 Cb -0.18 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 30.94 1x5n s PRO 50 CO 0.43 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.58 1x5n n GLY 51 N 3.24 0.60 0.00 0.56 0.00 -1.26 -4.97 105.19 103.35 1x5n n GLY 51 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.50 -0.80 0.08 1.61 3.41 -1.09 -4.74 113.62 111.59 1x5n n SER 52 Ca -0.05 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.68 1x5n n SER 52 Cb 0.37 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.39 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 0.06 1.04 5.85 -1.88 -3.22 115.31 117.16 1x5n h LEU 53 Ca 0.00 -0.12 -0.37 0.00 0.84 0.00 0.00 57.88 58.23 1x5n h LEU 53 Cb 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1x5n h LEU 53 CO 0.00 0.06 -2.21 -1.54 -0.34 0.00 0.00 178.44 174.41 1x5n n SER 54 N -2.40 1.86 0.22 1.25 3.41 -1.26 -4.06 113.62 112.64 1x5n n SER 54 Ca 0.01 0.06 0.06 0.00 -0.26 0.00 0.00 58.87 58.74 1x5n n SER 54 Cb 0.50 -0.51 0.52 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.16 1.75 -0.21 7.33 0.00 -1.74 0.40 119.26 126.94 1x5n h ALA 55 Ca -0.49 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 1x5n h ALA 55 Cb 1.99 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 1x5n h ALA 55 CO 0.01 0.19 -0.17 1.05 0.00 0.00 0.00 179.25 180.33 1x5n h GLU 56 N 0.04 0.36 0.00 0.00 4.11 -1.71 -1.92 114.58 115.46 1x5n h GLU 56 Ca 0.01 -0.10 -0.03 0.00 0.07 0.00 0.00 59.36 59.31 1x5n h GLU 56 Cb 0.24 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1x5n h GLU 56 CO 0.02 0.53 -0.53 -0.39 0.07 0.00 0.00 179.01 178.71 1x5n h VAL 57 N 0.34 0.14 0.00 -1.06 -1.51 -1.33 -3.47 116.25 109.35 1x5n h VAL 57 Ca 0.06 -1.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.31 1x5n h VAL 57 Cb 0.50 1.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1x5n h VAL 57 CO 0.03 0.08 0.00 0.61 -1.23 0.00 0.00 177.57 177.06 1x5n n GLY 58 N 1.17 1.31 3.76 5.19 0.00 -0.19 -5.04 105.19 111.39 1x5n n GLY 58 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 4.50 0.26 0.99 1.43 0.12 -4.95 118.68 121.03 1x5n s LEU 59 Ca 0.00 2.39 -0.04 0.00 -1.03 0.00 0.00 54.13 55.45 1x5n s LEU 59 Cb 0.00 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 1x5n s LEU 59 CO 0.00 -0.29 0.33 -1.61 0.23 0.00 0.00 176.35 175.00 1x5n s GLU 60 N -1.34 1.53 0.18 1.70 2.02 -1.26 -4.27 118.70 117.26 1x5n s GLU 60 Ca 0.47 -1.60 -0.32 0.00 0.02 0.00 0.00 54.97 53.55 1x5n s GLU 60 Cb -0.34 0.37 -0.11 0.00 0.10 0.00 0.00 34.13 34.15 1x5n s GLU 60 CO 0.44 -0.58 1.67 0.42 0.02 0.00 0.00 175.26 177.23 1x5n s ILE 61 N -3.78 2.29 0.00 -1.63 1.01 -1.26 -2.06 121.20 115.76 1x5n s ILE 61 Ca 0.33 0.18 0.00 0.00 0.00 0.00 0.00 60.65 61.15 1x5n s ILE 61 Cb 0.03 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.38 1x5n s ILE 61 CO 0.15 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.71 1x5n n GLY 62 N 3.92 1.38 3.55 6.18 0.00 -1.23 -4.74 105.19 114.25 1x5n n GLY 62 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1x5n n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x5n s ASP 63 N -0.48 4.29 -0.00 1.61 1.11 -0.87 -0.67 116.67 121.65 1x5n s ASP 63 Ca 0.00 0.80 -0.27 0.00 0.18 0.00 0.00 52.55 53.26 1x5n s ASP 63 Cb 0.00 -2.51 -0.04 0.00 1.07 0.00 0.00 42.92 41.44 1x5n s ASP 63 CO 0.00 -3.15 0.84 -1.58 1.18 0.00 0.00 175.17 172.46 1x5n s GLN 64 N 8.43 4.52 -0.49 8.23 0.74 -1.26 -3.07 119.66 136.76 1x5n s GLN 64 Ca 0.96 1.17 -0.28 0.00 0.05 0.00 0.00 55.36 57.25 1x5n s GLN 64 Cb -0.16 -3.43 0.03 0.00 1.10 0.00 0.00 33.01 30.55 1x5n s GLN 64 CO 0.21 0.08 1.12 0.42 -0.55 0.00 0.00 175.29 176.56 1x5n s ILE 65 N 0.64 4.21 -0.11 -2.34 1.01 0.40 -3.53 121.20 121.48 1x5n s ILE 65 Ca 0.44 1.10 0.20 0.00 0.00 0.00 0.00 60.65 62.39 1x5n s ILE 65 Cb -0.20 -4.60 -0.27 0.00 0.01 0.00 0.00 42.46 37.40 1x5n s ILE 65 CO 0.24 -1.04 0.44 1.33 0.00 0.00 0.00 174.94 175.90 1x5n n VAL 66 N 6.77 0.60 -3.66 2.92 0.24 -0.79 -4.13 118.33 120.28 1x5n n VAL 66 Ca 0.11 -0.63 -0.13 0.00 -2.04 0.00 0.00 64.34 61.64 1x5n n VAL 66 Cb 0.49 -0.25 -0.07 0.00 -1.47 0.00 0.00 33.84 32.54 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 -3.13 0.90 -0.21 7.34 2.12 -1.15 -2.22 118.70 122.35 1x5n s GLU 67 Ca -0.07 -0.26 -0.06 0.00 0.36 0.00 0.00 54.97 54.94 1x5n s GLU 67 Cb 0.11 0.41 0.10 0.00 0.26 0.00 0.00 34.13 35.00 1x5n s GLU 67 CO 0.87 -0.30 0.41 0.08 -0.54 0.00 0.00 175.26 175.77 1x5n s VAL 68 N -2.15 -0.64 -1.58 3.70 1.01 -0.64 0.09 120.40 120.19 1x5n s VAL 68 Ca -0.07 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1x5n s VAL 68 Cb -0.01 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1x5n s VAL 68 CO 0.00 0.03 0.00 -3.20 0.00 0.00 0.00 175.10 171.93 1x5n n ASN 69 N 5.38 -4.81 0.00 3.32 2.85 0.44 0.14 115.26 122.58 1x5n n ASN 69 Ca -0.07 0.37 0.00 0.00 -0.11 0.00 0.00 54.58 54.77 1x5n n ASN 69 Cb 0.50 -4.05 0.00 0.00 1.24 0.00 0.00 39.78 37.46 1x5n n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5n n GLY 70 N -0.13 0.75 3.79 8.20 0.00 -1.26 -4.87 105.19 111.68 1x5n n GLY 70 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.20 4.40 -1.07 1.61 1.01 0.37 -4.97 120.40 119.53 1x5n s VAL 71 Ca 0.00 1.57 -0.22 0.00 0.00 0.00 0.00 61.98 63.33 1x5n s VAL 71 Cb 0.00 -3.99 0.06 0.00 0.00 0.00 0.00 36.38 32.45 1x5n s VAL 71 CO 0.00 0.27 1.50 -0.62 0.00 0.00 0.00 175.10 176.25 1x5n s ASP 72 N -1.51 6.58 -0.21 3.32 2.15 -1.26 -1.62 116.67 124.12 1x5n s ASP 72 Ca 0.43 -1.69 -0.01 0.00 0.43 0.00 0.00 52.55 51.72 1x5n s ASP 72 Cb -0.19 -2.56 0.11 0.00 -0.30 0.00 0.00 42.92 39.98 1x5n s ASP 72 CO 0.23 -1.42 2.15 0.49 -0.17 0.00 0.00 175.17 176.45 1x5n n PHE 73 N 8.68 0.98 0.00 -5.34 3.01 -0.94 -4.41 117.46 119.45 1x5n n PHE 73 Ca 0.36 -1.64 0.00 0.00 1.01 0.00 0.00 57.45 57.18 1x5n n PHE 73 Cb 0.50 -0.88 0.00 0.00 -0.01 0.00 0.00 39.48 39.09 1x5n n PHE 73 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1x5n n SER 74 N 0.86 0.00 -2.67 4.37 2.88 -1.25 -4.31 113.62 113.49 1x5n n SER 74 Ca 0.23 0.34 -0.36 0.00 -1.33 0.00 0.00 58.87 57.74 1x5n n SER 74 Cb 0.57 -0.39 0.04 0.00 -0.75 0.00 0.00 64.21 63.68 1x5n n SER 74 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1x5n n ASN 75 N -1.76 7.04 -2.26 -3.46 3.02 -1.26 -3.78 115.26 112.79 1x5n n ASN 75 Ca 0.00 -3.81 0.00 0.00 -0.03 0.00 0.00 54.58 50.74 1x5n n ASN 75 Cb 0.00 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 1x5n n ASN 75 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1x5n n LEU 76 N -0.63 0.00 -4.32 3.41 4.77 -1.26 -5.04 117.00 113.92 1x5n n LEU 76 Ca 0.53 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 56.35 1x5n n LEU 76 Cb 0.43 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 1x5n n LEU 76 CO 0.55 -0.36 -0.24 -0.62 -1.33 0.00 0.00 177.39 175.38 1x5n s ASP 77 N -1.00 1.25 0.00 -1.43 2.15 -1.26 -4.84 116.67 111.54 1x5n s ASP 77 Ca 0.00 -1.42 0.19 0.00 0.43 0.00 0.00 52.55 51.75 1x5n s ASP 77 Cb 0.00 0.21 0.95 0.00 -0.30 0.00 0.00 42.92 43.78 1x5n s ASP 77 CO 0.00 -0.76 1.57 1.57 -0.17 0.00 0.00 175.17 177.38 1x5n n HIS 78 N -0.49 0.00 -0.06 -5.34 -0.00 -1.26 0.18 115.22 108.25 1x5n n HIS 78 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 1x5n n HIS 78 Cb 0.66 -0.28 -0.07 0.00 -0.00 0.00 0.00 29.99 30.30 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 -1.28 1.03 0.08 1.57 5.02 -1.26 -3.98 118.16 119.35 1x5n n LYS 79 Ca 0.09 0.05 -0.17 0.00 -2.02 0.00 0.00 58.31 56.26 1x5n n LYS 79 Cb 0.15 -1.28 -0.10 0.00 -0.02 0.00 0.00 35.03 33.79 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 0.44 0.00 1.97 4.39 -1.89 0.23 114.58 119.73 1x5n h GLU 80 Ca -0.30 -0.57 -0.13 0.00 0.34 0.00 0.00 59.36 58.70 1x5n h GLU 80 Cb 1.54 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 30.36 1x5n h GLU 80 CO -0.02 1.22 -0.63 0.00 -1.16 0.00 0.00 179.01 178.41 1x5n h ALA 81 N 0.56 0.92 0.08 3.43 0.00 -0.52 -0.92 119.26 122.81 1x5n h ALA 81 Ca -0.13 -0.58 -0.13 0.00 0.00 0.00 0.00 54.91 54.07 1x5n h ALA 81 Cb 1.78 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.48 1x5n h ALA 81 CO 0.20 0.79 -0.63 0.28 0.00 0.00 0.00 179.25 179.89 1x5n h VAL 82 N 0.00 1.52 -0.90 0.00 2.07 -1.68 -1.62 116.25 115.64 1x5n h VAL 82 Ca -0.01 -2.43 0.05 0.00 0.82 0.00 0.00 66.70 65.13 1x5n h VAL 82 Cb 1.14 3.15 -0.06 0.00 -1.52 0.00 0.00 31.29 34.00 1x5n h VAL 82 CO 0.08 0.65 0.58 -1.13 0.02 0.00 0.00 177.57 177.77 1x5n h ASN 83 N -0.63 0.93 0.57 0.57 -1.24 -0.53 1.82 115.58 117.06 1x5n h ASN 83 Ca -0.12 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 56.75 1x5n h ASN 83 Cb 1.41 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 40.24 1x5n h ASN 83 CO 0.06 0.61 -0.66 0.58 -1.29 0.00 0.00 177.43 176.74 1x5n h VAL 84 N 1.08 1.45 0.01 2.57 2.07 -1.26 0.72 116.25 122.89 1x5n h VAL 84 Ca 0.38 -2.20 -0.19 0.00 0.82 0.00 0.00 66.70 65.51 1x5n h VAL 84 Cb 0.10 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1x5n h VAL 84 CO -0.15 0.63 -0.90 -0.07 0.02 0.00 0.00 177.57 177.11 1x5n h LEU 85 N 0.06 0.11 -1.11 2.57 3.38 0.02 -3.02 115.31 117.31 1x5n h LEU 85 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1x5n h LEU 85 Cb 1.17 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1x5n h LEU 85 CO 0.09 0.95 -0.20 2.29 0.09 0.00 0.00 178.44 181.66 1x5n n LYS 86 N -3.55 1.51 0.17 1.13 2.85 0.60 -4.40 118.16 116.47 1x5n n LYS 86 Ca -0.02 -1.11 -0.13 0.00 -1.05 0.00 0.00 58.31 56.00 1x5n n LYS 86 Cb 0.84 -1.48 -0.07 0.00 -0.65 0.00 0.00 35.03 33.66 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 2.71 -1.11 -4.79 -5.58 0.87 0.60 -3.45 113.55 102.79 1x5n h SER 87 Ca 0.00 0.10 -0.57 0.00 -1.23 0.00 0.00 61.79 60.09 1x5n h SER 87 Cb 0.70 0.38 -0.11 0.00 -0.44 0.00 0.00 62.40 62.94 1x5n h SER 87 CO 0.00 -0.48 -0.43 -0.24 -0.53 0.00 0.00 176.83 175.15 1x5n n SER 88 N -4.73 2.73 -0.07 6.23 2.88 -1.26 -5.08 113.62 114.32 1x5n n SER 88 Ca -0.08 -3.00 -0.08 0.00 -1.33 0.00 0.00 58.87 54.37 1x5n n SER 88 Cb 0.34 0.48 -0.05 0.00 -0.75 0.00 0.00 64.21 64.23 1x5n n SER 88 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1x5n h ARG 89 N 0.00 0.00 -5.76 -1.46 2.47 -1.88 -3.45 114.38 104.30 1x5n h ARG 89 Ca -0.36 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 57.76 1x5n h ARG 89 Cb 1.14 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 29.37 1x5n h ARG 89 CO 0.59 0.37 0.42 -1.12 0.56 0.00 0.00 179.97 180.78 1x5n s SER 90 N -5.99 6.75 0.03 7.04 0.01 -1.26 -1.01 113.70 119.27 1x5n s SER 90 Ca -0.14 0.88 0.02 0.00 1.31 0.00 0.00 55.95 58.02 1x5n s SER 90 Cb 0.01 -2.42 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 1x5n s SER 90 CO 0.31 -0.54 -0.07 -0.76 0.41 0.00 0.00 173.24 172.59 1x5n s LEU 91 N 2.86 2.23 -0.44 2.44 1.43 -0.54 -4.98 118.68 121.68 1x5n s LEU 91 Ca 0.33 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 52.88 1x5n s LEU 91 Cb -0.15 -0.13 0.11 0.00 0.03 0.00 0.00 46.19 46.05 1x5n s LEU 91 CO 0.09 -0.19 0.27 -0.89 0.23 0.00 0.00 176.35 175.86 1x5n s THR 92 N -1.26 3.76 0.04 5.49 2.01 -1.26 -0.70 115.64 123.72 1x5n s THR 92 Ca -0.10 -1.88 -0.20 0.00 0.31 0.00 0.00 61.69 59.82 1x5n s THR 92 Cb -0.09 -3.51 -0.06 0.00 0.01 0.00 0.00 72.50 68.85 1x5n s THR 92 CO 0.00 -0.71 0.58 -0.63 -0.69 0.00 0.00 174.62 173.17 1x5n s ILE 93 N 1.26 4.81 -0.33 1.82 1.01 0.18 0.17 121.20 130.11 1x5n s ILE 93 Ca 0.07 1.22 0.04 0.00 0.00 0.00 0.00 60.65 61.97 1x5n s ILE 93 Cb -0.24 -3.91 0.10 0.00 0.01 0.00 0.00 42.46 38.41 1x5n s ILE 93 CO -0.02 0.50 0.04 -0.44 0.00 0.00 0.00 174.94 175.02 1x5n s SER 94 N -0.73 4.75 0.42 3.58 0.01 0.11 0.12 113.70 121.96 1x5n s SER 94 Ca 0.30 -2.07 0.08 0.00 1.31 0.00 0.00 55.95 55.56 1x5n s SER 94 Cb -0.19 -1.63 0.01 0.00 0.21 0.00 0.00 66.02 64.42 1x5n s SER 94 CO 0.18 -0.37 0.56 0.27 0.41 0.00 0.00 173.24 174.29 1x5n s ILE 95 N 0.93 3.03 -0.37 1.44 -4.36 -0.58 -1.89 121.20 119.40 1x5n s ILE 95 Ca 0.09 -1.01 0.06 0.00 -0.26 0.00 0.00 60.65 59.53 1x5n s ILE 95 Cb -0.19 -3.02 0.54 0.00 1.25 0.00 0.00 42.46 41.04 1x5n s ILE 95 CO -0.08 -0.01 1.61 0.52 0.24 0.00 0.00 174.94 177.23 1x5n n VAL 96 N -1.83 2.82 -3.03 8.37 0.31 -1.23 0.04 118.33 123.79 1x5n n VAL 96 Ca 0.08 -2.71 -0.01 0.00 -0.01 0.00 0.00 64.34 61.69 1x5n n VAL 96 Cb 0.59 -0.51 -0.01 0.00 -0.91 0.00 0.00 33.84 33.01 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 -1.08 -2.08 -3.70 3.52 0.00 -1.26 -3.50 120.51 112.40 1x5n n ALA 97 Ca 0.44 0.34 -0.28 0.00 0.00 0.00 0.00 53.44 53.94 1x5n n ALA 97 Cb 1.15 -1.04 0.03 0.00 0.00 0.00 0.00 19.45 19.60 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 1.65 -2.36 -0.55 0.00 0.00 -1.26 -4.89 120.51 113.11 1x5n n ALA 98 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1x5n n ALA 98 Cb 0.29 -3.42 0.00 0.00 0.00 0.00 0.00 19.45 16.32 1x5n n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x5n n ALA 99 N -4.17 -0.23 -2.14 0.00 0.00 0.15 -3.67 120.51 110.46 1x5n n ALA 99 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.89 1x5n n ALA 99 Cb 0.62 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.08 1x5n n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x5n n GLY 100 N -0.73 5.50 0.30 0.00 0.00 -0.65 -4.64 105.19 104.98 1x5n n GLY 100 Ca 0.00 -2.33 0.20 0.00 0.00 0.00 0.00 46.02 43.89 1x5n n GLY 100 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x5n h ARG 101 N 3.80 0.00 0.00 1.61 3.08 -1.69 -0.35 114.38 120.83 1x5n h ARG 101 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.61 1x5n h ARG 101 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1x5n h ARG 101 CO 1.26 0.00 0.00 -0.85 -1.07 0.00 0.00 179.97 179.31 1x5n n GLU 102 N -3.08 0.28 0.04 0.04 0.28 -1.26 -2.21 120.64 114.73 1x5n n GLU 102 Ca -0.01 0.07 0.13 0.00 -0.16 0.00 0.00 57.16 57.19 1x5n n GLU 102 Cb 0.20 -1.50 0.46 0.00 1.43 0.00 0.00 31.44 32.03 1x5n n GLU 102 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1x5n n LEU 103 N -1.32 0.38 -3.07 -1.84 4.77 -0.14 -3.95 117.00 111.83 1x5n n LEU 103 Ca 0.10 0.42 -0.20 0.00 -0.03 0.00 0.00 56.01 56.30 1x5n n LEU 103 Cb 0.21 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1x5n n LEU 103 CO 0.19 -0.04 -0.11 0.49 -1.33 0.00 0.00 177.39 176.60 1x5n n PHE 104 N -1.78 1.41 -3.80 -1.77 3.01 -0.94 -4.99 117.46 108.60 1x5n n PHE 104 Ca 0.06 -3.78 -0.29 0.00 1.01 0.00 0.00 57.45 54.45 1x5n n PHE 104 Cb 0.38 -0.43 -0.12 0.00 -0.01 0.00 0.00 39.48 39.29 1x5n n PHE 104 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1x5n s MET 105 N -2.80 1.90 -0.06 -1.08 -1.94 -1.25 -5.03 119.30 109.03 1x5n s MET 105 Ca 0.42 -2.74 -0.01 0.00 -1.71 0.00 0.00 55.69 51.65 1x5n s MET 105 Cb 0.34 -2.89 0.03 0.00 2.01 0.00 0.00 34.83 34.31 1x5n s MET 105 CO -0.09 -1.23 0.01 0.99 -0.01 0.00 0.00 175.02 174.69 1x5n s THR 106 N -0.61 0.25 -0.31 2.05 2.01 -1.26 -5.11 115.64 112.66 1x5n s THR 106 Ca 0.23 0.18 -0.04 0.00 0.31 0.00 0.00 61.69 62.36 1x5n s THR 106 Cb -0.12 -0.41 0.04 0.00 0.01 0.00 0.00 72.50 72.01 1x5n s THR 106 CO -0.10 0.23 0.05 -0.62 -0.69 0.00 0.00 174.62 173.48 1x5n s ASP 107 N 1.85 5.03 -0.11 3.53 2.15 -1.26 -5.07 116.67 122.79 1x5n s ASP 107 Ca 0.02 -1.10 -0.17 0.00 0.43 0.00 0.00 52.55 51.74 1x5n s ASP 107 Cb -0.12 -1.79 0.04 0.00 -0.30 0.00 0.00 42.92 40.74 1x5n s ASP 107 CO -0.04 -0.26 0.43 -0.60 -0.17 0.00 0.00 175.17 174.53 1x5n s ARG 108 N 1.35 0.63 0.45 4.34 3.52 -1.26 -5.17 118.95 122.81 1x5n s ARG 108 Ca -0.02 0.34 0.06 0.00 -0.13 0.00 0.00 55.73 55.98 1x5n s ARG 108 Cb -0.19 0.29 0.01 0.00 -1.56 0.00 0.00 34.95 33.51 1x5n s ARG 108 CO 0.01 -0.13 0.63 -1.54 -0.81 0.00 0.00 175.30 173.45 1x5n s SER 109 N -0.38 5.58 -0.38 -2.12 1.04 -1.26 -5.09 113.70 111.09 1x5n s SER 109 Ca -0.05 -0.26 -0.03 0.00 0.48 0.00 0.00 55.95 56.09 1x5n s SER 109 Cb -0.03 -0.80 0.23 0.00 0.10 0.00 0.00 66.02 65.52 1x5n s SER 109 CO 0.03 -0.84 1.06 0.61 0.98 0.00 0.00 173.24 175.07 1x5n n GLY 110 N -1.99 -1.41 3.81 7.32 0.00 -1.26 -5.16 105.19 106.50 1x5n n GLY 110 Ca 0.07 1.02 -0.32 0.00 0.00 0.00 0.00 46.02 46.79 1x5n n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5n s PRO 111 N 0.74 3.25 -0.02 1.61 0.04 -1.26 -5.07 135.00 134.29 1x5n s PRO 111 Ca 0.26 1.10 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 1x5n s PRO 111 Cb 0.13 -2.03 0.08 0.00 0.04 0.00 0.00 34.50 32.73 1x5n s PRO 111 CO -0.10 -0.86 0.74 -1.12 0.04 0.00 0.00 177.00 175.70 1x5n s SER 112 N -3.14 -0.56 0.68 6.66 0.01 -1.26 -5.17 113.70 110.93 1x5n s SER 112 Ca 0.61 0.43 -0.11 0.00 1.31 0.00 0.00 55.95 58.19 1x5n s SER 112 Cb -0.15 0.49 -0.00 0.00 0.21 0.00 0.00 66.02 66.57 1x5n s SER 112 CO 0.42 -0.64 1.06 -0.44 0.41 0.00 0.00 173.24 174.05 1x5n s SER 113 N -1.66 5.58 0.00 2.44 0.01 -1.26 -5.37 113.70 113.44 1x5n s SER 113 Ca -0.05 1.49 0.14 0.00 1.31 0.00 0.00 55.95 58.84 1x5n s SER 113 Cb -0.00 -2.41 0.83 0.00 0.21 0.00 0.00 66.02 64.65 1x5n s SER 113 CO 0.01 -1.30 1.25 0.61 0.41 0.00 0.00 173.24 174.23