#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5n n SER 2 N 0.00 1.69 -3.60 1.61 2.88 -1.26 -5.12 113.62 109.83 1x5n n SER 2 Ca 0.00 0.28 -0.03 0.00 -1.33 0.00 0.00 58.87 57.79 1x5n n SER 2 Cb 0.00 -0.63 -0.02 0.00 -0.75 0.00 0.00 64.21 62.81 1x5n n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5n s SER 3 N -6.04 -0.12 0.00 -3.46 0.15 -1.26 -5.14 113.70 97.83 1x5n s SER 3 Ca -0.22 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1x5n s SER 3 Cb 0.04 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1x5n s SER 3 CO 0.32 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.13 1x5n n GLY 4 N -0.17 1.80 2.75 9.45 0.00 -1.26 -5.12 105.19 112.65 1x5n n GLY 4 Ca -0.01 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1x5n n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5n s SER 5 N 0.00 3.77 -0.08 1.61 0.15 -1.26 -4.88 113.70 113.02 1x5n s SER 5 Ca 0.00 -2.69 0.10 0.00 0.70 0.00 0.00 55.95 54.07 1x5n s SER 5 Cb 0.00 -1.14 -0.15 0.00 -1.71 0.00 0.00 66.02 63.02 1x5n s SER 5 CO 0.00 -0.26 0.11 -1.20 1.20 0.00 0.00 173.24 173.08 1x5n n SER 6 N 3.48 2.36 -0.53 5.45 7.64 -1.26 -5.11 113.62 125.65 1x5n n SER 6 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1x5n n SER 6 Cb 0.34 1.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.55 1x5n n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5n n GLY 7 N 2.18 -2.74 3.81 0.23 0.00 -1.26 -5.02 105.19 102.40 1x5n n GLY 7 Ca -0.13 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 1x5n n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5n s SER 8 N 0.00 7.04 -0.08 1.61 0.01 -1.26 -5.01 113.70 116.02 1x5n s SER 8 Ca 0.00 1.25 -0.22 0.00 1.31 0.00 0.00 55.95 58.29 1x5n s SER 8 Cb 0.00 -2.35 -0.18 0.00 0.21 0.00 0.00 66.02 63.70 1x5n s SER 8 CO 0.00 0.26 0.82 1.55 0.41 0.00 0.00 173.24 176.28 1x5n h PRO 9 N 4.47 -0.11 0.00 12.44 0.13 -2.09 -3.50 132.00 143.34 1x5n h PRO 9 Ca -0.50 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1x5n h PRO 9 Cb 1.21 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1x5n h PRO 9 CO 0.63 0.44 0.00 0.41 -0.23 0.00 0.00 178.00 179.25 1x5n n GLY 10 N 0.92 3.50 3.63 1.56 0.00 -1.26 -5.14 105.19 108.41 1x5n n GLY 10 Ca -0.08 -1.75 -0.05 0.00 0.00 0.00 0.00 46.02 44.14 1x5n n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x5n s ASN 11 N 0.00 -0.91 -0.10 1.61 0.01 -1.26 -5.15 114.94 109.14 1x5n s ASN 11 Ca 0.00 1.41 0.02 0.00 -0.71 0.00 0.00 52.86 53.58 1x5n s ASN 11 Cb 0.00 1.53 0.01 0.00 0.41 0.00 0.00 41.25 43.20 1x5n s ASN 11 CO 0.00 -0.22 -0.15 -0.13 -1.51 0.00 0.00 177.10 175.10 1x5n s ARG 12 N 1.84 2.10 -0.20 -0.60 3.00 -1.26 -5.12 118.95 118.72 1x5n s ARG 12 Ca -0.09 -0.53 -0.28 0.00 0.00 0.00 0.00 55.73 54.84 1x5n s ARG 12 Cb -0.06 -1.77 0.10 0.00 0.00 0.00 0.00 34.95 33.22 1x5n s ARG 12 CO -0.19 -0.03 0.88 -1.21 0.00 0.00 0.00 175.30 174.75 1x5n s GLU 13 N 0.89 0.71 -0.22 3.54 2.02 -1.26 -5.08 118.70 119.31 1x5n s GLU 13 Ca -0.09 0.50 -0.16 0.00 0.02 0.00 0.00 54.97 55.24 1x5n s GLU 13 Cb -0.15 0.34 -0.09 0.00 0.10 0.00 0.00 34.13 34.33 1x5n s GLU 13 CO 0.00 -0.16 -0.29 -1.71 0.02 0.00 0.00 175.26 173.12 1x5n n ASN 14 N 1.67 1.93 -4.41 -0.19 5.15 -1.26 -4.99 115.26 113.16 1x5n n ASN 14 Ca -0.14 0.37 -0.28 0.00 -0.60 0.00 0.00 54.58 53.93 1x5n n ASN 14 Cb 0.56 -0.80 0.24 0.00 -0.53 0.00 0.00 39.78 39.25 1x5n n ASN 14 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1x5n s LYS 15 N -2.65 -0.90 -0.14 1.20 0.00 -1.26 -4.49 119.74 111.50 1x5n s LYS 15 Ca -0.32 0.61 -0.01 0.00 0.00 0.00 0.00 55.97 56.25 1x5n s LYS 15 Cb 0.08 -1.57 0.00 0.00 0.00 0.00 0.00 37.83 36.34 1x5n s LYS 15 CO 0.45 -3.65 0.01 0.39 0.00 0.00 0.00 175.35 172.55 1x5n n GLU 16 N -4.83 -1.93 -4.54 1.78 1.02 -1.24 -4.96 120.64 105.93 1x5n n GLU 16 Ca 0.04 1.80 -0.32 0.00 -0.02 0.00 0.00 57.16 58.66 1x5n n GLU 16 Cb 0.56 -3.04 -0.11 0.00 -0.02 0.00 0.00 31.44 28.83 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 -1.18 2.46 -0.27 3.49 -2.85 0.16 -4.97 119.74 116.58 1x5n s LYS 17 Ca -0.02 -0.76 -0.15 0.00 -1.00 0.00 0.00 55.97 54.04 1x5n s LYS 17 Cb 0.00 -2.43 -0.04 0.00 -2.06 0.00 0.00 37.83 33.30 1x5n s LYS 17 CO 0.37 0.59 0.36 0.21 0.10 0.00 0.00 175.35 176.99 1x5n s LYS 18 N -1.34 4.02 -0.05 1.78 2.36 -1.26 -1.63 119.74 123.61 1x5n s LYS 18 Ca 0.16 0.02 0.06 0.00 -2.55 0.00 0.00 55.97 53.66 1x5n s LYS 18 Cb -0.11 -3.65 -0.01 0.00 -1.05 0.00 0.00 37.83 33.01 1x5n s LYS 18 CO 0.06 -0.26 -0.24 0.14 1.55 0.00 0.00 175.35 176.61 1x5n s VAL 19 N 2.00 1.93 -0.30 4.02 -7.23 0.21 -5.00 120.40 116.03 1x5n s VAL 19 Ca 0.15 -1.00 -0.07 0.00 -1.81 0.00 0.00 61.98 59.25 1x5n s VAL 19 Cb -0.16 -1.63 0.02 0.00 0.56 0.00 0.00 36.38 35.17 1x5n s VAL 19 CO 0.10 0.54 0.08 0.12 -0.31 0.00 0.00 175.10 175.63 1x5n s PHE 20 N -0.18 3.16 -0.47 2.82 2.19 -1.26 0.15 117.98 124.39 1x5n s PHE 20 Ca -0.02 -1.08 -0.11 0.00 0.33 0.00 0.00 56.93 56.05 1x5n s PHE 20 Cb -0.13 -2.25 0.10 0.00 -1.31 0.00 0.00 43.02 39.43 1x5n s PHE 20 CO 0.03 -0.61 0.36 0.42 1.83 0.00 0.00 175.22 177.24 1x5n s ILE 21 N 1.48 4.53 -0.18 3.12 -1.09 0.49 -4.96 121.20 124.60 1x5n s ILE 21 Ca 0.02 -1.53 -0.08 0.00 -2.23 0.00 0.00 60.65 56.83 1x5n s ILE 21 Cb -0.18 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 1x5n s ILE 21 CO 0.02 -0.69 0.09 -0.55 -1.23 0.00 0.00 174.94 172.58 1x5n s SER 22 N 2.67 5.89 -0.97 3.58 0.15 -1.25 -1.98 113.70 121.80 1x5n s SER 22 Ca 0.04 0.18 -0.01 0.00 0.70 0.00 0.00 55.95 56.86 1x5n s SER 22 Cb -0.26 -1.99 0.31 0.00 -1.71 0.00 0.00 66.02 62.37 1x5n s SER 22 CO 0.02 0.22 1.48 0.18 1.20 0.00 0.00 173.24 176.33 1x5n n LEU 23 N 3.27 6.31 -3.92 3.45 7.99 -1.07 -4.89 117.00 128.14 1x5n n LEU 23 Ca -0.17 -5.35 -0.43 0.00 -0.01 0.00 0.00 56.01 50.05 1x5n n LEU 23 Cb 0.53 -1.10 0.01 0.00 -0.11 0.00 0.00 43.42 42.74 1x5n n LEU 23 CO 0.35 1.93 1.49 1.33 -1.51 0.00 0.00 177.39 180.98 1x5n n VAL 24 N 0.62 5.00 -1.39 4.08 0.24 -1.26 -4.83 118.33 120.79 1x5n n VAL 24 Ca 0.34 -5.32 0.00 0.00 -2.04 0.00 0.00 64.34 57.32 1x5n n VAL 24 Cb 0.32 -2.16 0.00 0.00 -1.47 0.00 0.00 33.84 30.53 1x5n n VAL 24 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x5n n GLY 25 N 1.83 -0.01 5.09 7.63 0.00 -1.26 -4.56 105.19 113.91 1x5n n GLY 25 Ca 0.33 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1x5n n GLY 25 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5n n SER 26 N -3.72 0.00 -4.89 1.61 7.64 -1.26 -4.65 113.62 108.35 1x5n n SER 26 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1x5n n SER 26 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1x5n n SER 26 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1x5n s ARG 27 N 0.00 3.65 -0.11 1.43 0.52 -1.26 -5.09 118.95 118.08 1x5n s ARG 27 Ca 0.00 0.34 -0.07 0.00 -0.52 0.00 0.00 55.73 55.48 1x5n s ARG 27 Cb 0.00 -2.37 0.04 0.00 0.52 0.00 0.00 34.95 33.14 1x5n s ARG 27 CO 0.00 -0.14 0.27 0.20 0.02 0.00 0.00 175.30 175.65 1x5n s GLY 28 N -3.68 -0.18 0.07 -3.53 0.00 -1.26 -4.66 107.32 94.08 1x5n s GLY 28 Ca 0.49 0.98 -0.36 0.00 0.00 0.00 0.00 44.72 45.84 1x5n s GLY 28 CO 0.39 1.11 0.88 -0.10 0.00 0.00 0.00 173.10 175.38 1x5n n LEU 29 N 3.82 -0.44 -1.09 0.66 7.94 -1.26 -4.25 117.00 122.38 1x5n n LEU 29 Ca -0.21 1.14 0.05 0.00 -1.11 0.00 0.00 56.01 55.88 1x5n n LEU 29 Cb 0.55 -0.93 0.09 0.00 0.53 0.00 0.00 43.42 43.66 1x5n n LEU 29 CO 0.15 -2.27 0.19 0.61 -1.11 0.00 0.00 177.39 174.95 1x5n n GLY 30 N 1.67 2.53 3.48 -3.96 0.00 -1.26 -4.90 105.19 102.75 1x5n n GLY 30 Ca 0.19 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.72 4.99 -0.00 0.00 0.01 0.46 -4.95 113.70 112.49 1x5n s SER 32 Ca 0.16 0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.46 1x5n s SER 32 Cb -0.11 -1.52 -0.04 0.00 0.21 0.00 0.00 66.02 64.57 1x5n s SER 32 CO 0.08 0.30 0.02 0.27 0.41 0.00 0.00 173.24 174.31 1x5n s ILE 33 N -0.43 4.26 0.11 1.44 -4.36 -1.26 0.17 121.20 121.14 1x5n s ILE 33 Ca 0.07 -0.57 0.07 0.00 -0.26 0.00 0.00 60.65 59.96 1x5n s ILE 33 Cb -0.12 -2.91 -0.04 0.00 1.25 0.00 0.00 42.46 40.64 1x5n s ILE 33 CO 0.02 0.37 -0.16 -0.44 0.24 0.00 0.00 174.94 174.97 1x5n s SER 34 N -1.60 2.15 0.17 4.36 0.01 -0.08 -4.83 113.70 113.89 1x5n s SER 34 Ca 0.20 -0.76 -0.26 0.00 1.31 0.00 0.00 55.95 56.45 1x5n s SER 34 Cb -0.12 -0.09 -0.08 0.00 0.21 0.00 0.00 66.02 65.94 1x5n s SER 34 CO 0.11 -0.07 0.79 -0.94 0.41 0.00 0.00 173.24 173.53 1x5n s SER 35 N -2.24 7.41 0.45 2.44 1.04 -1.26 -2.83 113.70 118.71 1x5n s SER 35 Ca 0.07 1.66 -0.02 0.00 0.48 0.00 0.00 55.95 58.15 1x5n s SER 35 Cb -0.07 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.52 1x5n s SER 35 CO 0.04 0.20 0.70 -0.83 0.98 0.00 0.00 173.24 174.33 1x5n s GLY 36 N -1.11 1.49 0.02 7.32 0.00 -1.10 -4.99 107.32 108.95 1x5n s GLY 36 Ca 0.36 -0.81 -0.00 0.00 0.00 0.00 0.00 44.72 44.27 1x5n s GLY 36 CO 0.27 -0.66 0.02 -1.55 0.00 0.00 0.00 173.10 171.18 1x5n n PRO 37 N -2.12 -0.54 0.13 2.90 -0.04 -1.09 -4.50 135.00 129.75 1x5n n PRO 37 Ca -0.00 -0.04 -0.02 0.00 -0.04 0.00 0.00 63.50 63.40 1x5n n PRO 37 Cb 0.56 -0.03 0.13 0.00 -0.04 0.00 0.00 33.50 34.12 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 -1.27 1.43 0.00 0.52 2.10 -1.99 0.35 117.51 118.65 1x5n h ILE 38 Ca -0.01 -2.31 -0.17 0.00 1.08 0.00 0.00 64.86 63.45 1x5n h ILE 38 Cb 0.02 2.26 -0.02 0.00 -1.09 0.00 0.00 36.82 37.99 1x5n h ILE 38 CO 0.01 0.65 -0.83 0.06 -1.08 0.00 0.00 178.15 176.95 1x5n h GLN 39 N 0.00 0.00 -2.04 2.19 3.07 -2.05 -3.36 115.11 112.92 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 1.21 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.36 1x5n h GLN 39 CO 0.09 0.83 -1.09 1.17 0.09 0.00 0.00 178.83 179.91 1x5n n LYS 40 N -3.33 1.28 -2.53 0.06 4.81 -1.13 -5.11 118.16 112.21 1x5n n LYS 40 Ca 0.01 -3.59 -0.36 0.00 -0.87 0.00 0.00 58.31 53.49 1x5n n LYS 40 Cb 0.86 -1.72 -0.04 0.00 0.02 0.00 0.00 35.03 34.16 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 -2.38 4.13 0.00 1.64 0.04 0.12 -2.67 135.00 135.88 1x5n s PRO 41 Ca 0.40 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1x5n s PRO 41 Cb 0.31 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1x5n s PRO 41 CO -0.09 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.18 1x5n n GLY 42 N 0.31 0.81 3.18 0.56 0.00 -1.26 -4.86 105.19 103.93 1x5n n GLY 42 Ca 0.05 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.97 2.09 0.00 -0.61 -1.09 -1.26 -2.70 121.20 114.66 1x5n s ILE 43 Ca 0.00 -0.98 0.01 0.00 -2.23 0.00 0.00 60.65 57.46 1x5n s ILE 43 Cb 0.00 -1.83 -0.00 0.00 -1.58 0.00 0.00 42.46 39.05 1x5n s ILE 43 CO 0.00 0.55 -0.04 -0.36 -1.23 0.00 0.00 174.94 173.86 1x5n s PHE 44 N 0.72 0.36 0.40 3.97 0.40 -1.13 0.15 117.98 122.86 1x5n s PHE 44 Ca -0.09 -0.10 -0.26 0.00 -0.60 0.00 0.00 56.93 55.87 1x5n s PHE 44 Cb -0.16 -0.23 -0.09 0.00 0.51 0.00 0.00 43.02 43.05 1x5n s PHE 44 CO 0.00 -0.01 1.33 0.42 0.70 0.00 0.00 175.22 177.66 1x5n s ILE 45 N -0.20 2.53 -0.11 0.64 1.01 -1.12 -0.90 121.20 123.05 1x5n s ILE 45 Ca 0.00 0.49 0.04 0.00 0.00 0.00 0.00 60.65 61.18 1x5n s ILE 45 Cb -0.02 -3.29 -0.10 0.00 0.01 0.00 0.00 42.46 39.06 1x5n s ILE 45 CO -0.00 0.08 -0.05 -1.54 0.00 0.00 0.00 174.94 173.43 1x5n n SER 46 N 0.18 2.87 -3.57 3.58 3.41 0.46 -3.12 113.62 117.43 1x5n n SER 46 Ca 0.03 -0.04 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 1x5n n SER 46 Cb 0.43 0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 64.50 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 -2.24 -0.64 -0.16 7.33 5.65 -1.15 -4.88 115.29 119.20 1x5n s HIS 47 Ca -0.12 1.21 -0.09 0.00 0.25 0.00 0.00 55.06 56.31 1x5n s HIS 47 Cb 0.04 0.35 0.05 0.00 -1.18 0.00 0.00 32.58 31.84 1x5n s HIS 47 CO 0.33 -0.54 0.38 0.54 -0.65 0.00 0.00 174.74 174.80 1x5n s VAL 48 N -0.87 -0.02 0.38 0.89 0.11 -1.26 0.17 120.40 119.80 1x5n s VAL 48 Ca -0.09 0.09 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 1x5n s VAL 48 Cb -0.01 -0.57 -0.09 0.00 -1.53 0.00 0.00 36.38 34.18 1x5n s VAL 48 CO 0.08 0.04 1.27 -0.54 -3.33 0.00 0.00 175.10 172.61 1x5n s LYS 49 N 1.22 4.09 -1.16 1.54 1.02 -0.85 -4.87 119.74 120.73 1x5n s LYS 49 Ca -0.08 2.10 -0.13 0.00 0.02 0.00 0.00 55.97 57.88 1x5n s LYS 49 Cb -0.08 -2.83 -0.07 0.00 -0.52 0.00 0.00 37.83 34.34 1x5n s LYS 49 CO -0.10 -0.37 2.27 -0.35 -0.92 0.00 0.00 175.35 175.88 1x5n n PRO 50 N 0.30 2.46 0.00 -1.68 -0.04 -1.26 -2.89 135.00 131.89 1x5n n PRO 50 Ca 0.03 -1.99 0.00 0.00 -0.04 0.00 0.00 63.50 61.50 1x5n n PRO 50 Cb 0.44 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 1x5n n PRO 50 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x5n n GLY 51 N 4.01 0.00 0.00 0.55 0.00 -1.26 -5.08 105.19 103.41 1x5n n GLY 51 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 0.00 0.10 1.61 3.41 -1.14 -4.93 113.62 112.67 1x5n n SER 52 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 1x5n n SER 52 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 1.04 6.46 -1.90 -3.11 115.31 117.80 1x5n h LEU 53 Ca 0.00 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 57.43 1x5n h LEU 53 Cb 0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 39.87 1x5n h LEU 53 CO 0.00 0.16 -2.09 -1.20 -0.62 0.00 0.00 178.44 174.70 1x5n n SER 54 N -2.80 0.37 0.22 1.25 7.64 -1.26 -3.97 113.62 115.07 1x5n n SER 54 Ca -0.02 0.18 0.11 0.00 1.01 0.00 0.00 58.87 60.15 1x5n n SER 54 Cb 0.63 0.57 0.41 0.00 -1.01 0.00 0.00 64.21 64.81 1x5n n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x5n h ALA 55 N 1.02 0.97 -0.15 -0.43 0.00 -1.77 0.70 119.26 119.60 1x5n h ALA 55 Ca -0.43 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.12 1x5n h ALA 55 Cb 2.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.89 1x5n h ALA 55 CO 0.05 0.22 -0.71 1.05 0.00 0.00 0.00 179.25 179.86 1x5n h GLU 56 N 0.00 0.66 0.00 0.00 4.11 -1.68 -3.08 114.58 114.59 1x5n h GLU 56 Ca -0.00 -0.51 -0.14 0.00 0.07 0.00 0.00 59.36 58.78 1x5n h GLU 56 Cb 0.81 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1x5n h GLU 56 CO 0.02 1.13 -0.68 -0.39 0.07 0.00 0.00 179.01 179.15 1x5n h VAL 57 N 0.47 1.18 0.00 -1.06 -1.51 -1.64 -3.48 116.25 110.20 1x5n h VAL 57 Ca -0.03 -2.66 0.00 0.00 -1.23 0.00 0.00 66.70 62.78 1x5n h VAL 57 Cb 1.30 2.58 0.00 0.00 -2.13 0.00 0.00 31.29 33.05 1x5n h VAL 57 CO 0.14 0.67 0.00 0.61 -1.23 0.00 0.00 177.57 177.76 1x5n n GLY 58 N 1.27 0.86 3.86 5.19 0.00 -0.49 -5.10 105.19 110.78 1x5n n GLY 58 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 4.27 0.12 0.99 1.43 0.23 -4.99 118.68 120.72 1x5n s LEU 59 Ca 0.00 0.97 -0.05 0.00 -1.03 0.00 0.00 54.13 54.02 1x5n s LEU 59 Cb 0.00 -3.41 -0.02 0.00 0.03 0.00 0.00 46.19 42.78 1x5n s LEU 59 CO 0.00 0.03 0.14 -1.61 0.23 0.00 0.00 176.35 175.14 1x5n s GLU 60 N -2.33 0.91 0.03 1.70 2.02 -1.26 -4.54 118.70 115.23 1x5n s GLU 60 Ca 0.41 -1.20 -0.34 0.00 0.02 0.00 0.00 54.97 53.86 1x5n s GLU 60 Cb -0.13 0.30 -0.13 0.00 0.10 0.00 0.00 34.13 34.27 1x5n s GLU 60 CO 0.20 -0.28 1.73 -0.89 0.02 0.00 0.00 175.26 176.04 1x5n n ILE 61 N -0.08 0.30 0.00 -1.63 5.41 -1.26 -1.71 119.36 120.39 1x5n n ILE 61 Ca -0.10 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1x5n n ILE 61 Cb 0.63 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.86 1x5n n ILE 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x5n n GLY 62 N 3.92 1.63 3.53 7.39 0.00 -1.18 -4.78 105.19 115.69 1x5n n GLY 62 Ca 0.20 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 1.45 -4.75 1.61 8.00 -0.69 -2.42 116.55 119.74 1x5n n ASP 63 Ca 0.00 -0.24 -0.40 0.00 0.71 0.00 0.00 54.79 54.86 1x5n n ASP 63 Cb 0.00 -1.30 -0.05 0.00 -0.02 0.00 0.00 41.12 39.74 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 8.59 4.58 -0.45 -1.24 0.74 -1.26 -2.78 119.66 127.84 1x5n s GLN 64 Ca 1.14 1.20 -0.22 0.00 0.05 0.00 0.00 55.36 57.53 1x5n s GLN 64 Cb -0.63 -3.33 0.03 0.00 1.10 0.00 0.00 33.01 30.18 1x5n s GLN 64 CO 0.36 0.37 0.74 0.42 -0.55 0.00 0.00 175.29 176.63 1x5n s ILE 65 N -0.43 4.70 -0.05 -2.34 1.01 0.41 -3.46 121.20 121.04 1x5n s ILE 65 Ca 0.40 0.30 0.21 0.00 0.00 0.00 0.00 60.65 61.55 1x5n s ILE 65 Cb -0.22 -4.30 -0.32 0.00 0.01 0.00 0.00 42.46 37.63 1x5n s ILE 65 CO 0.26 -0.70 0.41 1.33 0.00 0.00 0.00 174.94 176.24 1x5n n VAL 66 N 6.04 0.19 -3.70 2.92 0.24 -0.99 -4.06 118.33 118.97 1x5n n VAL 66 Ca 0.01 -0.53 -0.14 0.00 -2.04 0.00 0.00 64.34 61.64 1x5n n VAL 66 Cb 0.48 -0.05 -0.08 0.00 -1.47 0.00 0.00 33.84 32.72 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 -3.34 0.80 -0.22 7.34 2.12 -1.19 -1.28 118.70 122.93 1x5n s GLU 67 Ca -0.08 -0.19 -0.04 0.00 0.36 0.00 0.00 54.97 55.02 1x5n s GLU 67 Cb 0.13 0.36 0.12 0.00 0.26 0.00 0.00 34.13 34.99 1x5n s GLU 67 CO 0.87 -0.24 0.38 0.08 -0.54 0.00 0.00 175.26 175.81 1x5n s VAL 68 N -1.69 -0.60 -2.04 3.70 1.01 -1.02 -0.17 120.40 119.59 1x5n s VAL 68 Ca -0.10 0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1x5n s VAL 68 Cb -0.03 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1x5n s VAL 68 CO 0.03 -0.05 0.00 -3.20 0.00 0.00 0.00 175.10 171.88 1x5n n ASN 69 N 5.37 -5.17 0.00 3.32 2.85 0.51 0.70 115.26 122.85 1x5n n ASN 69 Ca -0.05 0.45 0.00 0.00 -0.11 0.00 0.00 54.58 54.87 1x5n n ASN 69 Cb 0.50 -4.57 0.00 0.00 1.24 0.00 0.00 39.78 36.95 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 -0.41 0.85 3.88 8.20 0.00 -1.26 -4.87 105.19 111.59 1x5n n GLY 70 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.05 4.78 -0.93 1.61 1.01 0.22 -5.00 120.40 120.03 1x5n s VAL 71 Ca 0.00 0.62 -0.15 0.00 0.00 0.00 0.00 61.98 62.44 1x5n s VAL 71 Cb 0.00 -3.84 0.18 0.00 0.00 0.00 0.00 36.38 32.72 1x5n s VAL 71 CO 0.00 -0.92 1.01 -0.62 0.00 0.00 0.00 175.10 174.57 1x5n s ASP 72 N -3.94 6.79 -0.10 3.32 2.15 -1.26 -2.43 116.67 121.20 1x5n s ASP 72 Ca 0.52 -2.54 0.10 0.00 0.43 0.00 0.00 52.55 51.06 1x5n s ASP 72 Cb -0.11 -2.31 0.46 0.00 -0.30 0.00 0.00 42.92 40.67 1x5n s ASP 72 CO 0.46 -0.76 1.27 0.49 -0.17 0.00 0.00 175.17 176.45 1x5n n PHE 73 N 5.07 1.06 -0.13 -5.34 3.01 -0.41 -4.15 117.46 116.58 1x5n n PHE 73 Ca 0.21 -0.39 -0.08 0.00 1.01 0.00 0.00 57.45 58.20 1x5n n PHE 73 Cb 0.47 -0.25 0.07 0.00 -0.01 0.00 0.00 39.48 39.76 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 2.44 0.88 -1.44 4.37 0.87 -1.66 -3.33 113.55 115.68 1x5n h SER 74 Ca 0.00 -0.29 -0.41 0.00 -1.23 0.00 0.00 61.79 59.86 1x5n h SER 74 Cb 1.16 -0.24 -0.40 0.00 -0.44 0.00 0.00 62.40 62.48 1x5n h SER 74 CO 0.21 1.03 -1.20 0.59 -0.53 0.00 0.00 176.83 176.93 1x5n n ASN 75 N -4.14 1.15 -1.87 6.23 3.02 -1.26 -4.23 115.26 114.15 1x5n n ASN 75 Ca 0.01 -2.85 0.00 0.00 -0.03 0.00 0.00 54.58 51.71 1x5n n ASN 75 Cb 0.40 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 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 0.09 0.00 -4.39 3.41 4.77 -1.25 -5.02 117.00 114.60 1x5n n LEU 76 Ca 0.16 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.95 1x5n n LEU 76 Cb 0.75 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.73 1x5n n LEU 76 CO 0.24 -0.34 -0.27 -0.62 -1.33 0.00 0.00 177.39 175.07 1x5n s ASP 77 N -1.00 1.93 0.00 -1.43 2.15 -1.26 -4.78 116.67 112.28 1x5n s ASP 77 Ca 0.00 -1.36 0.16 0.00 0.43 0.00 0.00 52.55 51.77 1x5n s ASP 77 Cb 0.00 0.01 0.76 0.00 -0.30 0.00 0.00 42.92 43.38 1x5n s ASP 77 CO 0.00 -0.64 1.46 1.57 -0.17 0.00 0.00 175.17 177.40 1x5n n HIS 78 N -0.59 0.00 -0.07 -5.34 -0.00 -1.26 0.78 115.22 108.74 1x5n n HIS 78 Ca -0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.61 1x5n n HIS 78 Cb 0.66 -0.35 -0.07 0.00 -0.00 0.00 0.00 29.99 30.23 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 -1.35 0.72 0.08 1.57 5.02 -1.26 -4.01 118.16 118.92 1x5n n LYS 79 Ca 0.06 0.07 -0.19 0.00 -2.02 0.00 0.00 58.31 56.23 1x5n n LYS 79 Cb 0.14 -1.29 -0.10 0.00 -0.02 0.00 0.00 35.03 33.76 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 0.53 -0.15 1.97 5.08 -1.88 0.17 114.58 120.29 1x5n h GLU 80 Ca -0.32 -0.66 -0.12 0.00 -1.00 0.00 0.00 59.36 57.26 1x5n h GLU 80 Cb 1.53 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.98 1x5n h GLU 80 CO -0.04 1.27 -0.44 0.00 -1.00 0.00 0.00 179.01 178.81 1x5n h ALA 81 N 0.48 0.97 0.09 3.43 0.00 0.11 -1.21 119.26 123.14 1x5n h ALA 81 Ca -0.14 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 1x5n h ALA 81 Cb 1.80 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1x5n h ALA 81 CO 0.21 0.63 -0.04 0.28 0.00 0.00 0.00 179.25 180.32 1x5n h VAL 82 N 0.30 0.45 -0.85 0.00 2.07 -1.69 -2.67 116.25 113.86 1x5n h VAL 82 Ca 0.02 -1.19 0.22 0.00 0.82 0.00 0.00 66.70 66.57 1x5n h VAL 82 Cb 0.89 0.81 -0.13 0.00 -1.52 0.00 0.00 31.29 31.34 1x5n h VAL 82 CO 0.07 0.14 0.23 -1.13 0.02 0.00 0.00 177.57 176.90 1x5n h ASN 83 N -1.00 0.02 -0.17 0.57 -1.24 -0.71 1.89 115.58 114.93 1x5n h ASN 83 Ca -0.01 0.18 -0.03 0.00 0.71 0.00 0.00 56.30 57.15 1x5n h ASN 83 Cb 0.33 0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.61 1x5n h ASN 83 CO 0.02 -0.12 0.02 0.58 -1.29 0.00 0.00 177.43 176.64 1x5n h VAL 84 N 0.23 1.15 -0.02 2.57 2.07 -1.30 1.07 116.25 122.03 1x5n h VAL 84 Ca 0.52 -0.59 -0.21 0.00 0.82 0.00 0.00 66.70 67.25 1x5n h VAL 84 Cb 1.02 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1x5n h VAL 84 CO -0.62 0.20 -0.88 -0.07 0.02 0.00 0.00 177.57 176.23 1x5n h LEU 85 N 0.39 0.45 -0.26 2.57 3.38 0.28 -3.10 115.31 119.02 1x5n h LEU 85 Ca 0.09 -0.34 -0.16 0.00 0.09 0.00 0.00 57.88 57.55 1x5n h LEU 85 Cb 0.23 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1x5n h LEU 85 CO 0.00 1.13 -0.78 0.11 0.09 0.00 0.00 178.44 178.99 1x5n h LYS 86 N 0.21 0.00 0.00 1.13 1.57 0.18 -3.36 116.57 116.31 1x5n h LYS 86 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1x5n h LYS 86 Cb 1.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.80 1x5n h LYS 86 CO 0.15 0.78 0.00 0.45 -0.57 0.00 0.00 179.45 180.26 1x5n n SER 87 N -3.45 0.00 -4.41 0.86 2.88 0.36 -4.67 113.62 105.19 1x5n n SER 87 Ca 0.00 0.68 -0.28 0.00 -1.33 0.00 0.00 58.87 57.94 1x5n n SER 87 Cb 0.80 -0.33 -0.08 0.00 -0.75 0.00 0.00 64.21 63.84 1x5n n SER 87 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5n s SER 88 N -2.95 3.31 -0.14 -3.46 0.15 -1.26 -5.09 113.70 104.26 1x5n s SER 88 Ca 0.00 -1.62 -0.11 0.00 0.70 0.00 0.00 55.95 54.92 1x5n s SER 88 Cb 0.00 0.40 -0.07 0.00 -1.71 0.00 0.00 66.02 64.64 1x5n s SER 88 CO 0.00 -0.84 0.01 0.03 1.20 0.00 0.00 173.24 173.64 1x5n h ARG 89 N 1.66 0.00 -6.46 5.44 2.47 -1.83 -3.44 114.38 112.22 1x5n h ARG 89 Ca -0.39 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 57.78 1x5n h ARG 89 Cb 1.28 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.54 1x5n h ARG 89 CO 0.66 0.26 1.08 -1.54 0.56 0.00 0.00 179.97 180.98 1x5n s SER 90 N -5.93 6.21 0.04 7.04 1.04 -1.26 -2.59 113.70 118.25 1x5n s SER 90 Ca -0.14 0.35 0.04 0.00 0.48 0.00 0.00 55.95 56.68 1x5n s SER 90 Cb 0.02 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 1x5n s SER 90 CO 0.27 -1.63 -0.13 -0.76 0.98 0.00 0.00 173.24 171.97 1x5n s LEU 91 N 5.79 2.19 -0.47 2.42 1.43 -0.84 -4.99 118.68 124.22 1x5n s LEU 91 Ca 0.52 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 53.05 1x5n s LEU 91 Cb -0.11 -0.52 0.11 0.00 0.03 0.00 0.00 46.19 45.71 1x5n s LEU 91 CO 0.26 -0.01 0.35 -0.89 0.23 0.00 0.00 176.35 176.29 1x5n s THR 92 N -0.95 4.35 -0.03 5.49 2.01 -1.26 -0.38 115.64 124.88 1x5n s THR 92 Ca -0.00 -1.65 -0.20 0.00 0.31 0.00 0.00 61.69 60.14 1x5n s THR 92 Cb -0.08 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 1x5n s THR 92 CO 0.01 -0.72 0.58 -0.63 -0.69 0.00 0.00 174.62 173.17 1x5n s ILE 93 N 1.41 4.98 -0.36 1.82 1.01 0.39 0.19 121.20 130.64 1x5n s ILE 93 Ca 0.05 1.20 -0.01 0.00 0.00 0.00 0.00 60.65 61.88 1x5n s ILE 93 Cb -0.26 -3.91 0.09 0.00 0.01 0.00 0.00 42.46 38.39 1x5n s ILE 93 CO 0.00 0.39 0.11 -0.44 0.00 0.00 0.00 174.94 175.00 1x5n s SER 94 N 0.04 5.03 0.35 3.58 0.01 0.76 0.66 113.70 124.13 1x5n s SER 94 Ca 0.30 -1.83 0.07 0.00 1.31 0.00 0.00 55.95 55.81 1x5n s SER 94 Cb -0.17 -1.75 -0.01 0.00 0.21 0.00 0.00 66.02 64.30 1x5n s SER 94 CO 0.16 -0.42 0.46 0.27 0.41 0.00 0.00 173.24 174.12 1x5n s ILE 95 N 1.12 3.83 -0.39 1.44 -4.36 -0.65 -2.35 121.20 119.84 1x5n s ILE 95 Ca 0.05 -1.04 0.05 0.00 -0.26 0.00 0.00 60.65 59.45 1x5n s ILE 95 Cb -0.21 -3.32 0.52 0.00 1.25 0.00 0.00 42.46 40.70 1x5n s ILE 95 CO -0.04 -0.13 1.61 0.52 0.24 0.00 0.00 174.94 177.14 1x5n n VAL 96 N -1.64 2.88 -3.03 8.37 0.31 -1.22 0.37 118.33 124.37 1x5n n VAL 96 Ca 0.01 -2.91 -0.01 0.00 -0.01 0.00 0.00 64.34 61.43 1x5n n VAL 96 Cb 0.58 -0.65 -0.00 0.00 -0.91 0.00 0.00 33.84 32.86 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 -1.02 -2.19 -3.80 3.52 0.00 -1.26 -3.43 120.51 112.34 1x5n n ALA 97 Ca 0.46 0.31 -0.34 0.00 0.00 0.00 0.00 53.44 53.87 1x5n n ALA 97 Cb 1.07 -0.98 0.03 0.00 0.00 0.00 0.00 19.45 19.56 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 1.52 -2.49 0.24 0.00 0.00 -1.26 -4.89 120.51 113.63 1x5n n ALA 98 Ca -0.04 -0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.00 1x5n n ALA 98 Cb 0.31 -3.50 -0.04 0.00 0.00 0.00 0.00 19.45 16.21 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 0.98 -1.05 -1.42 0.00 0.00 -1.50 -3.30 119.26 112.97 1x5n h ALA 99 Ca -0.67 -0.13 -0.75 0.00 0.00 0.00 0.00 54.91 53.36 1x5n h ALA 99 Cb 1.37 0.24 -0.31 0.00 0.00 0.00 0.00 17.79 19.09 1x5n h ALA 99 CO 0.51 -1.00 0.60 0.41 0.00 0.00 0.00 179.25 179.77 1x5n n GLY 100 N -0.97 5.92 0.22 0.00 0.00 -1.02 -4.71 105.19 104.63 1x5n n GLY 100 Ca -0.08 -2.61 0.07 0.00 0.00 0.00 0.00 46.02 43.40 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 3.64 0.00 -0.64 1.61 2.43 -1.70 -2.94 114.38 116.78 1x5n h ARG 101 Ca 0.45 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.75 1x5n h ARG 101 Cb 0.34 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.79 1x5n h ARG 101 CO 1.14 0.27 0.12 1.49 -1.51 0.00 0.00 179.97 181.47 1x5n h GLU 102 N 0.00 0.23 -0.87 0.20 4.57 -1.90 0.16 114.58 116.97 1x5n h GLU 102 Ca -0.00 -0.01 0.19 0.00 -1.18 0.00 0.00 59.36 58.36 1x5n h GLU 102 Cb 0.60 -0.05 -0.16 0.00 -0.16 0.00 0.00 28.75 28.97 1x5n h GLU 102 CO 0.03 0.15 -0.12 -0.07 -1.18 0.00 0.00 179.01 177.82 1x5n h LEU 103 N 0.23 -0.64 -6.28 1.64 3.38 -1.92 -0.49 115.31 111.23 1x5n h LEU 103 Ca 0.34 0.25 -0.76 0.00 0.09 0.00 0.00 57.88 57.80 1x5n h LEU 103 Cb 0.54 0.49 -0.31 0.00 0.09 0.00 0.00 40.66 41.46 1x5n h LEU 103 CO -0.45 -0.28 0.57 0.49 0.09 0.00 0.00 178.44 178.86 1x5n n PHE 104 N -5.50 2.89 -4.25 1.13 3.72 0.04 -4.99 117.46 110.50 1x5n n PHE 104 Ca 0.15 -2.92 -0.34 0.00 -0.05 0.00 0.00 57.45 54.29 1x5n n PHE 104 Cb 0.51 -1.05 -0.12 0.00 -0.94 0.00 0.00 39.48 37.88 1x5n n PHE 104 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x5n s MET 105 N -3.62 3.62 0.14 -1.08 0.23 -0.19 -4.91 119.30 113.49 1x5n s MET 105 Ca 0.38 -0.53 0.00 0.00 -1.03 0.00 0.00 55.69 54.51 1x5n s MET 105 Cb 0.16 -2.98 0.00 0.00 -1.53 0.00 0.00 34.83 30.48 1x5n s MET 105 CO -0.05 0.12 0.00 2.41 -2.03 0.00 0.00 175.02 175.47 1x5n n THR 106 N 3.90-12.58 -3.59 3.16 -1.04 -1.26 -5.08 114.28 97.78 1x5n n THR 106 Ca -0.17 3.07 -0.14 0.00 -2.04 0.00 0.00 64.05 64.76 1x5n n THR 106 Cb 0.52 -5.45 -0.07 0.00 -1.82 0.00 0.00 70.33 63.52 1x5n n THR 106 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1x5n s ASP 107 N -0.49 -0.63 -0.18 8.00 1.01 -1.26 -5.15 116.67 117.96 1x5n s ASP 107 Ca 0.00 1.02 -0.01 0.00 0.71 0.00 0.00 52.55 54.27 1x5n s ASP 107 Cb 0.00 0.97 0.05 0.00 1.01 0.00 0.00 42.92 44.95 1x5n s ASP 107 CO 0.00 -0.35 -0.03 -0.60 0.21 0.00 0.00 175.17 174.40 1x5n s ARG 108 N -0.27 1.23 0.02 8.23 3.52 -1.26 -4.99 118.95 125.42 1x5n s ARG 108 Ca -0.03 -0.56 -0.05 0.00 -0.13 0.00 0.00 55.73 54.97 1x5n s ARG 108 Cb -0.03 -2.10 -0.02 0.00 -1.56 0.00 0.00 34.95 31.24 1x5n s ARG 108 CO 0.03 -0.52 -0.09 0.45 -0.81 0.00 0.00 175.30 174.36 1x5n n SER 109 N 4.89 1.26 0.00 -2.12 2.88 -1.26 -5.16 113.62 114.12 1x5n n SER 109 Ca -0.11 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1x5n n SER 109 Cb 0.47 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1x5n n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5n n GLY 110 N 2.91 -0.39 3.77 0.46 0.00 -1.26 -5.05 105.19 105.63 1x5n n GLY 110 Ca -0.05 -2.20 -0.30 0.00 0.00 0.00 0.00 46.02 43.48 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 0.00 0.16 -0.24 1.61 0.04 -1.26 -5.10 135.00 130.22 1x5n s PRO 111 Ca 0.00 -0.08 -0.15 0.00 0.04 0.00 0.00 61.00 60.81 1x5n s PRO 111 Cb 0.00 -1.76 0.07 0.00 0.04 0.00 0.00 34.50 32.85 1x5n s PRO 111 CO 0.00 -2.79 0.60 0.45 0.04 0.00 0.00 177.00 175.30 1x5n s SER 112 N -4.29 -0.78 1.19 6.66 0.15 -1.26 -5.16 113.70 110.21 1x5n s SER 112 Ca 0.70 1.30 -0.15 0.00 0.70 0.00 0.00 55.95 58.50 1x5n s SER 112 Cb -0.09 1.20 0.25 0.00 -1.71 0.00 0.00 66.02 65.67 1x5n s SER 112 CO 0.54 -0.22 0.70 -0.24 1.20 0.00 0.00 173.24 175.22 1x5n n SER 113 N 4.07 -2.18 0.00 5.45 2.88 -1.26 -5.34 113.62 117.24 1x5n n SER 113 Ca -0.20 -0.23 0.10 0.00 -1.33 0.00 0.00 58.87 57.21 1x5n n SER 113 Cb 0.57 -1.14 0.61 0.00 -0.75 0.00 0.00 64.21 63.51 1x5n n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42