#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1g s SER 2 N 0.00 5.73 0.29 1.61 1.04 -1.26 -4.88 113.70 116.22 1x1g s SER 2 Ca 0.00 1.10 0.00 0.00 0.48 0.00 0.00 55.95 57.53 1x1g s SER 2 Cb 0.00 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 64.08 1x1g s SER 2 CO 0.00 -1.11 0.00 -0.24 0.98 0.00 0.00 173.24 172.87 1x1g n SER 3 N -2.80 -6.05 0.00 7.02 2.88 -1.26 -5.07 113.62 108.33 1x1g n SER 3 Ca 0.06 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1x1g n SER 3 Cb 0.56 -2.63 0.00 0.00 -0.75 0.00 0.00 64.21 61.39 1x1g n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1g n GLY 4 N -0.52 1.30 2.10 0.46 0.00 -1.26 -5.11 105.19 102.16 1x1g n GLY 4 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1x1g n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x1g n SER 5 N -0.19 -1.87 -0.80 1.61 2.88 -1.26 -5.10 113.62 108.89 1x1g n SER 5 Ca 0.00 0.46 0.09 0.00 -1.33 0.00 0.00 58.87 58.09 1x1g n SER 5 Cb 0.00 1.93 -0.05 0.00 -0.75 0.00 0.00 64.21 65.34 1x1g n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x1g n SER 6 N -3.04 -4.33 0.00 -3.46 2.88 -1.26 -5.09 113.62 99.31 1x1g n SER 6 Ca 0.00 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1x1g n SER 6 Cb 0.00 -2.73 0.00 0.00 -0.75 0.00 0.00 64.21 60.73 1x1g n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1g n GLY 7 N -3.24 -0.34 2.07 0.46 0.00 -1.26 -5.03 105.19 97.85 1x1g n GLY 7 Ca -0.05 -0.50 -0.04 0.00 0.00 0.00 0.00 46.02 45.42 1x1g n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x1g n SER 8 N 0.00 -2.13 -4.86 1.61 2.88 -1.26 -5.03 113.62 104.83 1x1g n SER 8 Ca 0.00 -0.02 -0.32 0.00 -1.33 0.00 0.00 58.87 57.20 1x1g n SER 8 Cb 0.00 -1.43 -0.06 0.00 -0.75 0.00 0.00 64.21 61.97 1x1g n SER 8 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1x1g s LEU 9 N -1.38 4.12 0.05 2.46 1.43 -1.26 -5.00 118.68 119.10 1x1g s LEU 9 Ca 0.01 1.11 -0.20 0.00 -1.03 0.00 0.00 54.13 54.03 1x1g s LEU 9 Cb -0.01 -3.87 -0.14 0.00 0.03 0.00 0.00 46.19 42.21 1x1g s LEU 9 CO 0.02 -0.13 1.36 -1.28 0.23 0.00 0.00 176.35 176.54 1x1g h SER 10 N 2.44 0.43 -5.19 2.29 0.87 -2.07 -3.46 113.55 108.86 1x1g h SER 10 Ca -0.47 -0.48 -0.09 0.00 -1.23 0.00 0.00 61.79 59.52 1x1g h SER 10 Cb 1.17 -0.12 -0.14 0.00 -0.44 0.00 0.00 62.40 62.88 1x1g h SER 10 CO 0.67 0.82 -0.38 -0.89 -0.53 0.00 0.00 176.83 176.52 1x1g s THR 11 N -4.32 0.13 0.00 2.23 2.01 -1.26 -5.10 115.64 109.33 1x1g s THR 11 Ca -0.14 -1.27 0.00 0.00 0.31 0.00 0.00 61.69 60.60 1x1g s THR 11 Cb 0.06 -1.47 0.00 0.00 0.01 0.00 0.00 72.50 71.10 1x1g s THR 11 CO 0.76 -0.59 0.00 0.55 -0.69 0.00 0.00 174.62 174.66 1x1g n VAL 12 N -0.09 0.00 -0.33 3.82 3.14 -1.26 -4.75 118.33 118.86 1x1g n VAL 12 Ca -0.13 0.00 0.10 0.00 -2.96 0.00 0.00 64.34 61.35 1x1g n VAL 12 Cb 0.62 0.00 0.28 0.00 -1.06 0.00 0.00 33.84 33.68 1x1g n VAL 12 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1x1g h GLU 13 N 0.00 0.68 -0.57 1.45 5.08 -1.99 1.30 114.58 120.53 1x1g h GLU 13 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1x1g h GLU 13 Cb 0.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1x1g h GLU 13 CO 0.00 0.45 0.00 1.28 -1.00 0.00 0.00 179.01 179.74 1x1g n LEU 14 N -4.81 2.49 -2.93 1.33 4.77 -1.26 -4.21 117.00 112.38 1x1g n LEU 14 Ca 0.20 -1.26 -0.38 0.00 -0.03 0.00 0.00 56.01 54.55 1x1g n LEU 14 Cb 0.51 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1x1g n LEU 14 CO 0.21 0.44 1.31 -0.24 -1.33 0.00 0.00 177.39 177.77 1x1g n SER 15 N 0.39 7.03 -4.41 -1.43 2.88 0.45 -4.97 113.62 113.56 1x1g n SER 15 Ca 0.12 -3.80 -0.22 0.00 -1.33 0.00 0.00 58.87 53.64 1x1g n SER 15 Cb 0.49 -0.98 -0.10 0.00 -0.75 0.00 0.00 64.21 62.87 1x1g n SER 15 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x1g s GLY 16 N -1.53 1.67 -0.24 0.46 0.00 -1.26 -3.80 107.32 102.63 1x1g s GLY 16 Ca 0.50 -1.77 -0.29 0.00 0.00 0.00 0.00 44.72 43.16 1x1g s GLY 16 CO -0.35 -1.86 1.31 -1.59 0.00 0.00 0.00 173.10 170.61 1x1g s THR 17 N -2.67 4.16 -0.12 0.90 2.01 0.29 -4.48 115.64 115.73 1x1g s THR 17 Ca 0.26 1.35 -0.38 0.00 0.31 0.00 0.00 61.69 63.23 1x1g s THR 17 Cb -0.03 -4.05 -0.16 0.00 0.01 0.00 0.00 72.50 68.27 1x1g s THR 17 CO 0.11 -0.32 1.60 0.52 -0.69 0.00 0.00 174.62 175.84 1x1g n VAL 18 N 5.87 0.20 -0.04 3.82 0.31 -1.26 -0.07 118.33 127.16 1x1g n VAL 18 Ca 0.15 -0.04 -0.03 0.00 -0.01 0.00 0.00 64.34 64.41 1x1g n VAL 18 Cb 0.46 -1.12 -0.07 0.00 -0.91 0.00 0.00 33.84 32.19 1x1g n VAL 18 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1x1g n VAL 19 N 3.81 0.51 -3.62 2.52 0.24 0.47 -4.85 118.33 117.41 1x1g n VAL 19 Ca 0.23 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.34 62.03 1x1g n VAL 19 Cb 0.17 -0.59 -0.07 0.00 -1.47 0.00 0.00 33.84 31.88 1x1g n VAL 19 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1x1g s LYS 20 N -2.29 0.85 -0.00 7.34 2.20 -1.09 -5.00 119.74 121.75 1x1g s LYS 20 Ca -0.04 0.91 -0.08 0.00 -0.36 0.00 0.00 55.97 56.40 1x1g s LYS 20 Cb 0.03 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.77 1x1g s LYS 20 CO 0.37 -0.12 0.16 -0.65 -0.36 0.00 0.00 175.35 174.75 1x1g s GLN 21 N 0.22 0.50 0.00 4.03 -0.21 -1.26 0.21 119.66 123.14 1x1g s GLN 21 Ca -0.01 -0.35 0.00 0.00 0.02 0.00 0.00 55.36 55.02 1x1g s GLN 21 Cb -0.04 0.21 0.00 0.00 1.00 0.00 0.00 33.01 34.18 1x1g s GLN 21 CO 0.02 -0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.48 1x1g n GLY 22 N 1.48 -1.69 3.25 3.09 0.00 -0.94 -5.02 105.19 105.37 1x1g n GLY 22 Ca -0.22 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 1x1g n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x1g s TYR 23 N -2.80 2.87 0.45 1.61 1.51 -1.26 -0.95 117.35 118.78 1x1g s TYR 23 Ca 0.00 -1.14 0.06 0.00 -1.01 0.00 0.00 57.07 54.99 1x1g s TYR 23 Cb 0.00 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1x1g s TYR 23 CO 0.00 -0.59 0.21 -0.51 -1.11 0.00 0.00 175.55 173.55 1x1g s LEU 24 N 1.25 2.95 -0.31 -1.29 1.43 0.12 -4.40 118.68 118.43 1x1g s LEU 24 Ca 0.03 -1.17 0.02 0.00 -1.03 0.00 0.00 54.13 51.98 1x1g s LEU 24 Cb -0.14 -1.33 0.09 0.00 0.03 0.00 0.00 46.19 44.84 1x1g s LEU 24 CO -0.05 -0.70 0.03 0.00 0.23 0.00 0.00 176.35 175.86 1x1g s ALA 25 N -2.66 2.38 -0.18 4.21 0.00 -0.95 0.15 121.76 124.71 1x1g s ALA 25 Ca 0.36 -2.07 -0.12 0.00 0.00 0.00 0.00 51.96 50.14 1x1g s ALA 25 Cb 0.02 -1.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.33 1x1g s ALA 25 CO 0.20 -1.56 0.20 -1.59 0.00 0.00 0.00 175.76 173.01 1x1g s LYS 26 N 1.18 4.21 -0.18 0.00 -2.85 -0.99 -0.95 119.74 120.16 1x1g s LYS 26 Ca 0.06 -0.08 -0.25 0.00 -1.00 0.00 0.00 55.97 54.70 1x1g s LYS 26 Cb -0.19 -3.42 -0.01 0.00 -2.06 0.00 0.00 37.83 32.15 1x1g s LYS 26 CO -0.12 0.28 0.83 -1.14 0.10 0.00 0.00 175.35 175.29 1x1g s GLN 27 N 0.40 4.28 0.00 1.78 0.74 -0.75 -3.59 119.66 122.52 1x1g s GLN 27 Ca 0.12 1.00 0.00 0.00 0.05 0.00 0.00 55.36 56.53 1x1g s GLN 27 Cb -0.12 -3.58 0.00 0.00 1.10 0.00 0.00 33.01 30.41 1x1g s GLN 27 CO 0.01 -0.35 0.00 0.41 -0.55 0.00 0.00 175.29 174.80 1x1g n GLY 28 N 3.50 -1.57 6.36 2.59 0.00 -1.26 -4.62 105.19 110.20 1x1g n GLY 28 Ca 0.04 -1.06 0.02 0.00 0.00 0.00 0.00 46.02 45.03 1x1g n GLY 28 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1x1g n HIS 29 N 0.98 -2.18 -3.56 1.61 8.25 -1.26 -4.89 115.22 114.17 1x1g n HIS 29 Ca 0.00 0.21 -0.22 0.00 -0.26 0.00 0.00 57.72 57.45 1x1g n HIS 29 Cb 0.00 -0.12 -0.01 0.00 1.12 0.00 0.00 29.99 30.98 1x1g n HIS 29 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1x1g s LYS 30 N -0.26 2.42 0.32 -0.41 -0.14 -1.26 -4.99 119.74 115.42 1x1g s LYS 30 Ca 0.00 -1.69 0.00 0.00 -1.36 0.00 0.00 55.97 52.92 1x1g s LYS 30 Cb 0.00 -2.35 0.00 0.00 -1.68 0.00 0.00 37.83 33.80 1x1g s LYS 30 CO 0.00 -0.43 0.00 0.54 -0.76 0.00 0.00 175.35 174.70 1x1g n ARG 31 N -1.74 -5.32 -1.46 1.68 1.74 -1.26 -4.96 116.66 105.35 1x1g n ARG 31 Ca 0.04 3.81 0.00 0.00 -0.77 0.00 0.00 57.85 60.93 1x1g n ARG 31 Cb 0.62 -4.15 0.00 0.00 -1.02 0.00 0.00 32.46 27.91 1x1g n ARG 31 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1x1g n LYS 32 N 1.01 -4.04 0.00 5.56 4.76 -1.26 -4.92 118.16 119.27 1x1g n LYS 32 Ca 0.00 3.06 0.00 0.00 -2.87 0.00 0.00 58.31 58.50 1x1g n LYS 32 Cb 0.00 -3.60 0.00 0.00 -1.84 0.00 0.00 35.03 29.59 1x1g n LYS 32 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1x1g n ASN 33 N -1.58 0.00 -4.77 4.39 3.02 -1.26 -4.83 115.26 110.23 1x1g n ASN 33 Ca 0.00 0.08 -0.37 0.00 -0.03 0.00 0.00 54.58 54.26 1x1g n ASN 33 Cb 0.18 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.29 1x1g n ASN 33 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1x1g s TRP 34 N -0.16 3.57 -0.04 3.10 0.52 -1.26 -4.16 118.94 120.51 1x1g s TRP 34 Ca 0.00 0.79 0.07 0.00 0.02 0.00 0.00 56.10 56.98 1x1g s TRP 34 Cb 0.00 -2.35 -0.01 0.00 -1.15 0.00 0.00 33.47 29.96 1x1g s TRP 34 CO 0.00 0.38 -0.25 0.15 0.02 0.00 0.00 176.95 177.25 1x1g s LYS 35 N -0.08 2.36 0.16 4.98 1.02 -1.24 -5.01 119.74 121.94 1x1g s LYS 35 Ca 0.21 -0.91 -0.30 0.00 0.02 0.00 0.00 55.97 54.99 1x1g s LYS 35 Cb -0.15 -2.11 -0.07 0.00 -0.52 0.00 0.00 37.83 34.99 1x1g s LYS 35 CO 0.08 0.45 0.97 0.08 -0.92 0.00 0.00 175.35 176.01 1x1g s VAL 36 N -0.35 4.29 0.04 3.17 1.01 -1.26 -2.34 120.40 124.96 1x1g s VAL 36 Ca 0.02 2.04 -0.02 0.00 0.00 0.00 0.00 61.98 64.02 1x1g s VAL 36 Cb -0.12 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 1x1g s VAL 36 CO 0.02 0.38 -0.00 -0.13 0.00 0.00 0.00 175.10 175.37 1x1g s ARG 37 N -0.46 0.53 -0.57 2.72 1.81 0.40 -4.67 118.95 118.71 1x1g s ARG 37 Ca 0.45 -0.96 -0.22 0.00 -1.72 0.00 0.00 55.73 53.28 1x1g s ARG 37 Cb -0.25 0.19 0.06 0.00 -0.45 0.00 0.00 34.95 34.50 1x1g s ARG 37 CO 0.31 -0.10 0.85 0.50 -0.68 0.00 0.00 175.30 176.17 1x1g s ARG 38 N -3.02 3.19 -0.16 3.54 3.52 -0.47 0.12 118.95 125.67 1x1g s ARG 38 Ca -0.01 -0.66 -0.12 0.00 -0.13 0.00 0.00 55.73 54.80 1x1g s ARG 38 Cb 0.01 -4.13 -0.05 0.00 -1.56 0.00 0.00 34.95 29.23 1x1g s ARG 38 CO -0.07 -1.51 0.24 -0.06 -0.81 0.00 0.00 175.30 173.09 1x1g s PHE 39 N 3.55 3.48 -0.04 5.12 0.40 -0.12 0.25 117.98 130.61 1x1g s PHE 39 Ca 0.23 0.55 0.06 0.00 -0.60 0.00 0.00 56.93 57.16 1x1g s PHE 39 Cb -0.16 -2.25 -0.02 0.00 0.51 0.00 0.00 43.02 41.09 1x1g s PHE 39 CO 0.14 0.32 -0.21 0.54 0.70 0.00 0.00 175.22 176.71 1x1g s VAL 40 N 0.21 2.45 -0.08 -0.44 0.11 0.30 -2.22 120.40 120.72 1x1g s VAL 40 Ca 0.15 -0.95 0.04 0.00 -2.93 0.00 0.00 61.98 58.28 1x1g s VAL 40 Cb -0.13 -1.90 -0.01 0.00 -1.53 0.00 0.00 36.38 32.81 1x1g s VAL 40 CO 0.03 0.58 -0.20 -0.22 -3.33 0.00 0.00 175.10 171.96 1x1g s LEU 41 N -0.55 2.37 0.23 2.54 0.20 0.55 -1.85 118.68 122.17 1x1g s LEU 41 Ca 0.08 -0.41 0.02 0.00 0.69 0.00 0.00 54.13 54.50 1x1g s LEU 41 Cb -0.11 -1.47 -0.05 0.00 -0.43 0.00 0.00 46.19 44.13 1x1g s LEU 41 CO 0.00 0.23 0.06 -0.13 -0.29 0.00 0.00 176.35 176.22 1x1g s ARG 42 N -0.06 1.32 0.02 1.98 0.52 -1.03 -0.40 118.95 121.31 1x1g s ARG 42 Ca -0.05 -1.69 0.00 0.00 -0.52 0.00 0.00 55.73 53.47 1x1g s ARG 42 Cb -0.14 -0.31 -0.02 0.00 0.52 0.00 0.00 34.95 35.00 1x1g s ARG 42 CO 0.04 -0.23 -0.04 -1.59 0.02 0.00 0.00 175.30 173.51 1x1g s LYS 43 N -3.98 0.31 -0.34 3.54 -2.85 0.89 -3.66 119.74 113.65 1x1g s LYS 43 Ca 0.33 -0.53 -0.29 0.00 -1.00 0.00 0.00 55.97 54.48 1x1g s LYS 43 Cb 0.07 -0.01 0.04 0.00 -2.06 0.00 0.00 37.83 35.88 1x1g s LYS 43 CO 0.10 -0.02 0.50 -0.25 0.10 0.00 0.00 175.35 175.79 1x1g n ASP 44 N 1.85 -5.91 -4.31 0.03 8.00 -1.26 0.11 116.55 115.06 1x1g n ASP 44 Ca -0.22 0.03 -0.29 0.00 0.71 0.00 0.00 54.79 55.02 1x1g n ASP 44 Cb 0.56 -1.88 0.18 0.00 -0.02 0.00 0.00 41.12 39.96 1x1g n ASP 44 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1x1g s PRO 45 N -2.11 0.32 -0.50 -0.24 0.04 -1.25 -3.77 135.00 127.49 1x1g s PRO 45 Ca 0.29 -0.02 -0.16 0.00 0.04 0.00 0.00 61.00 61.14 1x1g s PRO 45 Cb -0.03 -1.77 0.09 0.00 0.04 0.00 0.00 34.50 32.83 1x1g s PRO 45 CO 0.67 -2.69 0.44 0.00 0.04 0.00 0.00 177.00 175.46 1x1g s ALA 46 N -3.39 3.58 -0.06 8.56 0.00 -1.26 -4.61 121.76 124.57 1x1g s ALA 46 Ca 0.69 -2.23 -0.21 0.00 0.00 0.00 0.00 51.96 50.21 1x1g s ALA 46 Cb -0.10 -3.15 0.04 0.00 0.00 0.00 0.00 23.12 19.92 1x1g s ALA 46 CO 0.54 -1.84 0.48 -0.06 0.00 0.00 0.00 175.76 174.88 1x1g s PHE 47 N 1.68 -0.43 -0.21 0.00 0.08 -1.24 -3.75 117.98 114.12 1x1g s PHE 47 Ca 0.04 0.80 0.01 0.00 0.12 0.00 0.00 56.93 57.90 1x1g s PHE 47 Cb -0.26 0.22 0.05 0.00 -0.57 0.00 0.00 43.02 42.46 1x1g s PHE 47 CO 0.06 -0.44 -0.11 -1.17 -0.10 0.00 0.00 175.22 173.46 1x1g s LEU 48 N -0.93 2.51 0.33 -0.37 2.96 -1.24 -2.47 118.68 119.46 1x1g s LEU 48 Ca -0.10 -0.99 0.09 0.00 -0.22 0.00 0.00 54.13 52.91 1x1g s LEU 48 Cb -0.03 -1.30 -0.05 0.00 0.50 0.00 0.00 46.19 45.31 1x1g s LEU 48 CO 0.05 -0.15 0.04 -1.00 -1.32 0.00 0.00 176.35 173.97 1x1g s HIS 49 N 1.34 2.61 0.02 5.38 3.76 -0.77 -2.90 115.29 124.72 1x1g s HIS 49 Ca -0.03 -0.38 -0.12 0.00 -0.15 0.00 0.00 55.06 54.38 1x1g s HIS 49 Cb -0.17 -1.46 0.01 0.00 1.11 0.00 0.00 32.58 32.08 1x1g s HIS 49 CO -0.08 0.47 0.26 1.52 -0.85 0.00 0.00 174.74 176.07 1x1g s TYR 50 N -2.46 -0.08 0.04 1.40 1.13 -1.26 0.11 117.35 116.23 1x1g s TYR 50 Ca 0.35 0.01 0.07 0.00 -1.41 0.00 0.00 57.07 56.09 1x1g s TYR 50 Cb -0.02 0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.86 1x1g s TYR 50 CO 0.20 -0.42 -0.20 0.71 -2.51 0.00 0.00 175.55 173.34 1x1g s TYR 51 N -1.95 1.75 -0.17 -3.49 1.51 0.14 0.18 117.35 115.32 1x1g s TYR 51 Ca -0.10 -0.37 -0.28 0.00 -1.01 0.00 0.00 57.07 55.32 1x1g s TYR 51 Cb -0.03 -1.05 -0.01 0.00 -0.11 0.00 0.00 41.96 40.76 1x1g s TYR 51 CO 0.00 0.07 0.94 0.34 -1.11 0.00 0.00 175.55 175.79 1x1g s ASP 52 N -1.08 7.07 0.00 2.29 2.15 -1.26 -1.37 116.67 124.47 1x1g s ASP 52 Ca 0.07 1.33 0.23 0.00 0.43 0.00 0.00 52.55 54.61 1x1g s ASP 52 Cb -0.09 -2.51 1.21 0.00 -0.30 0.00 0.00 42.92 41.24 1x1g s ASP 52 CO 0.01 -0.50 1.75 -0.81 -0.17 0.00 0.00 175.17 175.46 1x1g n PRO 53 N 5.51 0.42 0.03 4.34 -0.04 -1.26 -2.80 135.00 141.20 1x1g n PRO 53 Ca 0.08 0.05 -0.21 0.00 -0.04 0.00 0.00 63.50 63.38 1x1g n PRO 53 Cb 0.48 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 1x1g n PRO 53 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x1g h SER 54 N 0.00 0.46 -2.67 3.54 0.87 -1.91 -3.47 113.55 110.37 1x1g h SER 54 Ca 0.00 -0.90 -0.45 0.00 -1.23 0.00 0.00 61.79 59.21 1x1g h SER 54 Cb 0.16 -0.15 0.08 0.00 -0.44 0.00 0.00 62.40 62.05 1x1g h SER 54 CO 0.00 1.79 0.10 -0.54 -0.53 0.00 0.00 176.83 177.65 1x1g s LYS 55 N -2.57 1.98 -0.32 2.24 -0.14 -1.12 -5.09 119.74 114.72 1x1g s LYS 55 Ca -0.19 -0.81 -0.01 0.00 -1.36 0.00 0.00 55.97 53.60 1x1g s LYS 55 Cb 0.06 -2.32 0.13 0.00 -1.68 0.00 0.00 37.83 34.02 1x1g s LYS 55 CO 0.80 -1.24 0.22 -1.21 -0.76 0.00 0.00 175.35 173.16 1x1g s GLU 56 N -5.09 0.38 0.08 1.68 2.02 -1.26 -4.86 118.70 111.64 1x1g s GLU 56 Ca 0.63 -0.69 -0.07 0.00 0.02 0.00 0.00 54.97 54.86 1x1g s GLU 56 Cb -0.08 -1.01 -0.01 0.00 0.10 0.00 0.00 34.13 33.13 1x1g s GLU 56 CO 0.43 -1.10 0.16 -1.83 0.02 0.00 0.00 175.26 172.94 1x1g s GLU 57 N 1.81 0.80 -0.96 1.61 -1.05 -1.26 -5.05 118.70 114.59 1x1g s GLU 57 Ca 0.13 -0.98 -0.06 0.00 -0.15 0.00 0.00 54.97 53.90 1x1g s GLU 57 Cb -0.17 0.32 0.01 0.00 -0.44 0.00 0.00 34.13 33.85 1x1g s GLU 57 CO -0.22 -0.24 2.76 0.09 0.95 0.00 0.00 175.26 178.61 1x1g n ASN 58 N 0.01 7.38 -3.61 0.83 3.02 -1.26 -4.82 115.26 116.81 1x1g n ASN 58 Ca -0.15 -2.97 -0.04 0.00 -0.03 0.00 0.00 54.58 51.38 1x1g n ASN 58 Cb 0.62 -1.37 -0.03 0.00 -0.61 0.00 0.00 39.78 38.39 1x1g n ASN 58 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1x1g s ARG 59 N -0.43 0.26 0.94 3.52 0.52 -1.26 -5.17 118.95 117.33 1x1g s ARG 59 Ca 0.60 -0.03 -0.13 0.00 -0.52 0.00 0.00 55.73 55.64 1x1g s ARG 59 Cb 0.26 0.12 0.16 0.00 0.52 0.00 0.00 34.95 36.01 1x1g s ARG 59 CO -0.11 -0.10 1.15 -1.25 0.02 0.00 0.00 175.30 175.01 1x1g s PRO 60 N -1.80 0.87 0.34 3.54 0.04 -1.26 -4.88 135.00 131.85 1x1g s PRO 60 Ca 0.08 0.19 0.13 0.00 0.04 0.00 0.00 61.00 61.44 1x1g s PRO 60 Cb -0.01 -1.82 0.61 0.00 0.04 0.00 0.00 34.50 33.32 1x1g s PRO 60 CO -0.05 -2.36 1.74 0.28 0.04 0.00 0.00 177.00 176.66 1x1g h VAL 61 N -1.61 1.25 0.00 -0.36 2.07 -0.62 -3.46 116.25 113.51 1x1g h VAL 61 Ca -0.49 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.43 1x1g h VAL 61 Cb 1.32 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1x1g h VAL 61 CO 0.57 0.44 0.00 0.61 0.02 0.00 0.00 177.57 179.22 1x1g n GLY 62 N -0.11 0.37 1.95 2.17 0.00 -1.26 -5.08 105.19 103.22 1x1g n GLY 62 Ca -0.01 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 1x1g n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1g n GLY 63 N 0.00 -3.72 3.27 -0.02 0.00 -1.26 -4.92 105.19 98.54 1x1g n GLY 63 Ca 0.00 -1.29 -0.15 0.00 0.00 0.00 0.00 46.02 44.58 1x1g n GLY 63 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x1g s PHE 64 N -1.74 1.34 0.43 1.61 -0.71 -1.14 -5.00 117.98 112.76 1x1g s PHE 64 Ca 0.41 -1.00 -0.24 0.00 -1.04 0.00 0.00 56.93 55.06 1x1g s PHE 64 Cb -0.07 -0.77 -0.08 0.00 -1.21 0.00 0.00 43.02 40.89 1x1g s PHE 64 CO 0.34 -0.17 1.12 -1.54 -1.34 0.00 0.00 175.22 173.64 1x1g s SER 65 N -3.22 6.46 -0.24 1.98 1.04 -1.26 -3.63 113.70 114.81 1x1g s SER 65 Ca 0.26 2.22 0.02 0.00 0.48 0.00 0.00 55.95 58.93 1x1g s SER 65 Cb 0.06 -2.60 -0.16 0.00 0.10 0.00 0.00 66.02 63.42 1x1g s SER 65 CO 0.06 -0.71 -0.22 0.18 0.98 0.00 0.00 173.24 173.53 1x1g n LEU 66 N -0.22 2.96 -0.31 2.42 4.77 -1.25 -4.25 117.00 121.13 1x1g n LEU 66 Ca 0.06 -0.12 -0.07 0.00 -0.03 0.00 0.00 56.01 55.84 1x1g n LEU 66 Cb 0.48 -0.85 -0.06 0.00 -2.33 0.00 0.00 43.42 40.66 1x1g n LEU 66 CO 0.47 0.91 0.36 0.54 -1.33 0.00 0.00 177.39 178.34 1x1g n ARG 67 N -3.23 -0.31 -1.82 3.23 5.12 -1.26 0.12 116.66 118.51 1x1g n ARG 67 Ca -0.43 1.11 -0.38 0.00 -1.93 0.00 0.00 57.85 56.22 1x1g n ARG 67 Cb 0.96 -1.64 0.05 0.00 -1.16 0.00 0.00 32.46 30.67 1x1g n ARG 67 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x1g n GLY 68 N -1.20 5.65 3.42 -0.13 0.00 -1.26 -4.74 105.19 106.93 1x1g n GLY 68 Ca 0.02 -2.46 -0.30 0.00 0.00 0.00 0.00 46.02 43.28 1x1g n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x1g n SER 69 N -0.63 3.23 -3.62 1.61 3.41 0.32 -1.43 113.62 116.52 1x1g n SER 69 Ca 0.55 -3.04 -0.16 0.00 -0.26 0.00 0.00 58.87 55.96 1x1g n SER 69 Cb 0.37 0.28 -0.07 0.00 -0.26 0.00 0.00 64.21 64.53 1x1g n SER 69 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1x1g s LEU 70 N 0.00 -0.18 0.02 1.04 2.96 0.47 -4.92 118.68 118.08 1x1g s LEU 70 Ca 0.04 0.71 0.01 0.00 -0.22 0.00 0.00 54.13 54.67 1x1g s LEU 70 Cb -0.00 2.08 -0.01 0.00 0.50 0.00 0.00 46.19 48.75 1x1g s LEU 70 CO 0.02 -0.45 -0.05 0.54 -1.32 0.00 0.00 176.35 175.10 1x1g s VAL 71 N -0.77 0.34 0.18 1.68 0.11 -1.26 0.13 120.40 120.80 1x1g s VAL 71 Ca -0.08 -0.63 -0.20 0.00 -2.93 0.00 0.00 61.98 58.13 1x1g s VAL 71 Cb -0.02 -0.37 0.05 0.00 -1.53 0.00 0.00 36.38 34.50 1x1g s VAL 71 CO 0.06 -0.20 0.56 -0.44 -3.33 0.00 0.00 175.10 171.74 1x1g s SER 72 N -0.89 -0.39 0.04 3.54 0.01 -0.83 -4.96 113.70 110.21 1x1g s SER 72 Ca -0.06 -0.27 -0.01 0.00 1.31 0.00 0.00 55.95 56.92 1x1g s SER 72 Cb -0.06 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.72 1x1g s SER 72 CO -0.00 -1.02 0.20 0.00 0.41 0.00 0.00 173.24 172.83 1x1g s ALA 73 N -3.82 3.99 -0.59 1.44 0.00 -1.26 -0.13 121.76 121.39 1x1g s ALA 73 Ca 0.05 -0.81 -0.23 0.00 0.00 0.00 0.00 51.96 50.97 1x1g s ALA 73 Cb -0.01 -1.85 0.06 0.00 0.00 0.00 0.00 23.12 21.31 1x1g s ALA 73 CO -0.08 0.80 0.92 -0.51 0.00 0.00 0.00 175.76 176.89 1x1g s LEU 74 N -2.31 4.31 -0.69 0.00 1.43 -0.81 -4.89 118.68 115.72 1x1g s LEU 74 Ca 0.32 -0.69 -0.13 0.00 -1.03 0.00 0.00 54.13 52.60 1x1g s LEU 74 Cb -0.13 -2.61 0.18 0.00 0.03 0.00 0.00 46.19 43.66 1x1g s LEU 74 CO 0.25 -1.28 0.62 -1.61 0.23 0.00 0.00 176.35 174.56 1x1g s GLU 75 N 3.86 3.24 0.00 1.70 2.02 -1.26 -4.56 118.70 123.70 1x1g s GLU 75 Ca 0.25 -2.17 0.00 0.00 0.02 0.00 0.00 54.97 53.07 1x1g s GLU 75 Cb -0.15 -4.30 0.00 0.00 0.10 0.00 0.00 34.13 29.78 1x1g s GLU 75 CO 0.15 -1.29 0.00 -0.40 0.02 0.00 0.00 175.26 173.74 1x1g n ASP 76 N 4.42 0.00 -4.56 -0.19 5.75 -1.26 -5.10 116.55 115.61 1x1g n ASP 76 Ca 0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.42 1x1g n ASP 76 Cb 0.44 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.50 1x1g n ASP 76 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1x1g s ASN 77 N 0.00 5.14 0.00 -1.12 2.47 -1.26 -4.12 114.94 116.05 1x1g s ASN 77 Ca 0.00 0.64 0.00 0.00 0.42 0.00 0.00 52.86 53.92 1x1g s ASN 77 Cb 0.00 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.28 1x1g s ASN 77 CO 0.00 -2.42 0.00 0.61 -3.72 0.00 0.00 177.10 171.57 1x1g n GLY 78 N 5.74 0.16 1.93 1.21 0.00 -1.26 -5.09 105.19 107.89 1x1g n GLY 78 Ca 0.25 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1x1g n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x1g n VAL 79 N 0.00-11.59 -1.40 1.61 0.31 -1.26 -4.61 118.33 101.39 1x1g n VAL 79 Ca 0.00 3.10 -0.42 0.00 -0.01 0.00 0.00 64.34 67.02 1x1g n VAL 79 Cb 0.00 -4.98 -0.03 0.00 -0.91 0.00 0.00 33.84 27.92 1x1g n VAL 79 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1x1g n PRO 80 N 1.55 2.18 -2.47 5.55 -0.04 -1.26 -4.49 135.00 136.01 1x1g n PRO 80 Ca 0.00 -2.18 -0.02 0.00 -0.04 0.00 0.00 63.50 61.26 1x1g n PRO 80 Cb 0.00 -3.06 -0.02 0.00 -0.04 0.00 0.00 33.50 30.38 1x1g n PRO 80 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1x1g n THR 81 N 5.47-10.90 0.00 0.52 -1.04 -1.26 -4.35 114.28 102.72 1x1g n THR 81 Ca 0.51 1.93 0.00 0.00 -2.04 0.00 0.00 64.05 64.45 1x1g n THR 81 Cb 0.38 -6.30 0.00 0.00 -1.82 0.00 0.00 70.33 62.59 1x1g n THR 81 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x1g n GLY 82 N 0.98 0.27 2.95 3.41 0.00 -1.26 -4.66 105.19 106.87 1x1g n GLY 82 Ca -0.17 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1x1g n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x1g n VAL 83 N 0.00 0.00 -3.52 1.61 0.31 -1.26 -3.33 118.33 112.14 1x1g n VAL 83 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 1x1g n VAL 83 Cb 0.00 -0.63 0.01 0.00 -0.91 0.00 0.00 33.84 32.31 1x1g n VAL 83 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1x1g n LYS 84 N -0.60 -1.40 0.00 5.55 4.76 -1.26 -4.44 118.16 120.77 1x1g n LYS 84 Ca 0.00 0.98 0.00 0.00 -2.87 0.00 0.00 58.31 56.42 1x1g n LYS 84 Cb 0.27 -3.78 0.00 0.00 -1.84 0.00 0.00 35.03 29.68 1x1g n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x1g n GLY 85 N -1.71 0.98 0.00 0.72 0.00 -1.21 -5.09 105.19 98.89 1x1g n GLY 85 Ca -0.17 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1x1g n GLY 85 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x1g n ASN 86 N 0.00 0.00 -4.30 1.61 5.15 -1.26 -4.92 115.26 111.54 1x1g n ASN 86 Ca 0.00 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 53.79 1x1g n ASN 86 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 1x1g n ASN 86 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1x1g s VAL 87 N -2.00 0.71 0.00 3.44 1.01 -1.26 -5.04 120.40 117.26 1x1g s VAL 87 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.98 1x1g s VAL 87 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1x1g s VAL 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.10 1x1g n GLN 88 N -0.58 2.41 -4.43 2.72 1.13 -1.26 -4.69 117.38 112.69 1x1g n GLN 88 Ca -0.01 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.82 1x1g n GLN 88 Cb 0.66 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.91 1x1g n GLN 88 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1x1g s GLY 89 N 0.00 1.72 -0.73 1.08 0.00 -1.26 -4.83 107.32 103.31 1x1g s GLY 89 Ca 0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 44.72 42.91 1x1g s GLY 89 CO 0.00 -1.86 0.65 0.70 0.00 0.00 0.00 173.10 172.58 1x1g n ASN 90 N -0.42 -5.58 -4.01 1.64 4.13 -1.26 -5.01 115.26 104.74 1x1g n ASN 90 Ca -0.07 -0.43 -0.22 0.00 1.68 0.00 0.00 54.58 55.53 1x1g n ASN 90 Cb 0.60 -4.01 -0.03 0.00 -1.54 0.00 0.00 39.78 34.80 1x1g n ASN 90 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x1g n LEU 91 N -2.54 0.00 -3.44 3.41 4.77 -1.26 -4.56 117.00 113.37 1x1g n LEU 91 Ca -0.04 -2.27 -0.12 0.00 -0.03 0.00 0.00 56.01 53.55 1x1g n LEU 91 Cb 0.57 0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.80 1x1g n LEU 91 CO 0.43 -0.39 0.45 0.72 -1.33 0.00 0.00 177.39 177.26 1x1g s PHE 92 N -2.23 -0.52 0.35 -1.77 -0.12 -1.04 -1.93 117.98 110.71 1x1g s PHE 92 Ca 0.08 0.36 0.07 0.00 -0.05 0.00 0.00 56.93 57.39 1x1g s PHE 92 Cb -0.01 0.55 -0.07 0.00 -0.63 0.00 0.00 43.02 42.86 1x1g s PHE 92 CO 0.05 -0.79 -0.04 -1.59 -0.05 0.00 0.00 175.22 172.80 1x1g s LYS 93 N -3.50 1.78 -0.32 1.99 -2.85 0.81 -0.24 119.74 117.41 1x1g s LYS 93 Ca 0.01 -1.95 0.01 0.00 -1.00 0.00 0.00 55.97 53.04 1x1g s LYS 93 Cb -0.01 -1.45 0.10 0.00 -2.06 0.00 0.00 37.83 34.41 1x1g s LYS 93 CO -0.11 0.02 0.07 0.08 0.10 0.00 0.00 175.35 175.51 1x1g s VAL 94 N -2.82 1.45 -0.44 1.79 1.01 0.22 -1.97 120.40 119.63 1x1g s VAL 94 Ca 0.33 -1.75 -0.24 0.00 0.00 0.00 0.00 61.98 60.32 1x1g s VAL 94 Cb 0.06 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.40 1x1g s VAL 94 CO 0.16 -0.61 0.86 -0.63 0.00 0.00 0.00 175.10 174.87 1x1g s ILE 95 N 1.33 4.57 0.84 2.22 1.01 0.34 -0.44 121.20 131.08 1x1g s ILE 95 Ca 0.09 0.67 -0.07 0.00 0.00 0.00 0.00 60.65 61.34 1x1g s ILE 95 Cb -0.18 -4.36 0.17 0.00 0.01 0.00 0.00 42.46 38.10 1x1g s ILE 95 CO -0.17 -0.73 1.15 0.42 0.00 0.00 0.00 174.94 175.61 1x1g s THR 96 N 3.50 2.04 0.63 2.92 -4.23 -1.26 0.18 115.64 119.41 1x1g s THR 96 Ca 0.34 -0.35 0.44 0.00 -1.18 0.00 0.00 61.69 60.94 1x1g s THR 96 Cb -0.11 -2.69 0.45 0.00 1.34 0.00 0.00 72.50 71.49 1x1g s THR 96 CO 0.24 0.00 2.35 0.50 -0.54 0.00 0.00 174.62 177.17 1x1g h LYS 97 N -1.06 0.00 -0.48 3.99 3.64 -1.60 0.53 116.57 121.59 1x1g h LYS 97 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1x1g h LYS 97 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1x1g h LYS 97 CO 0.37 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.30 1x1g n ASP 98 N -3.08 2.26 -4.47 4.20 8.00 -1.26 -4.88 116.55 117.31 1x1g n ASP 98 Ca -0.03 -2.13 -0.39 0.00 0.71 0.00 0.00 54.79 52.96 1x1g n ASP 98 Cb 0.09 -0.34 -0.09 0.00 -0.02 0.00 0.00 41.12 40.77 1x1g n ASP 98 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1x1g n ASP 99 N 0.45 -0.90 -0.05 -2.24 5.75 0.18 -4.81 116.55 114.94 1x1g n ASP 99 Ca 0.12 -1.26 -0.12 0.00 -0.01 0.00 0.00 54.79 53.52 1x1g n ASP 99 Cb 0.41 -1.60 -0.11 0.00 -1.03 0.00 0.00 41.12 38.79 1x1g n ASP 99 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1x1g h THR 100 N -1.18 1.47 -3.10 2.12 2.02 -1.88 -3.47 112.91 108.90 1x1g h THR 100 Ca -0.62 -1.96 0.00 0.00 0.77 0.00 0.00 66.41 64.60 1x1g h THR 100 Cb 1.39 2.72 -0.00 0.00 -1.74 0.00 0.00 68.15 70.52 1x1g h THR 100 CO 0.84 0.47 -0.06 1.41 0.37 0.00 0.00 175.52 178.55 1x1g n HIS 101 N -4.68 -0.21 -3.60 3.16 8.25 -1.22 -4.97 115.22 111.95 1x1g n HIS 101 Ca -0.09 0.10 -0.40 0.00 -0.26 0.00 0.00 57.72 57.08 1x1g n HIS 101 Cb 0.38 -1.62 -0.11 0.00 1.12 0.00 0.00 29.99 29.76 1x1g n HIS 101 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1x1g s TYR 102 N -0.06 3.22 -0.07 4.41 1.51 0.41 -4.80 117.35 121.98 1x1g s TYR 102 Ca -0.01 -0.70 -0.30 0.00 -1.01 0.00 0.00 57.07 55.06 1x1g s TYR 102 Cb 0.00 -2.43 -0.03 0.00 -0.11 0.00 0.00 41.96 39.39 1x1g s TYR 102 CO 0.04 -0.54 1.16 0.71 -1.11 0.00 0.00 175.55 175.81 1x1g s TYR 103 N 1.61 3.25 0.06 2.71 1.51 -1.26 0.72 117.35 125.94 1x1g s TYR 103 Ca 0.04 1.28 0.05 0.00 -1.01 0.00 0.00 57.07 57.43 1x1g s TYR 103 Cb -0.18 -3.38 -0.03 0.00 -0.11 0.00 0.00 41.96 38.26 1x1g s TYR 103 CO 0.07 -1.11 -0.13 0.42 -1.11 0.00 0.00 175.55 173.69 1x1g s ILE 104 N 2.20 1.03 -0.02 2.71 1.01 0.67 -1.82 121.20 126.98 1x1g s ILE 104 Ca 0.54 -1.21 0.04 0.00 0.00 0.00 0.00 60.65 60.02 1x1g s ILE 104 Cb -0.23 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 1x1g s ILE 104 CO 0.21 -0.20 -0.12 -1.58 0.00 0.00 0.00 174.94 173.24 1x1g s GLN 105 N -1.60 2.46 0.46 2.79 0.74 -0.13 -2.50 119.66 121.88 1x1g s GLN 105 Ca -0.02 -0.74 -0.01 0.00 0.05 0.00 0.00 55.36 54.64 1x1g s GLN 105 Cb -0.10 -2.39 -0.01 0.00 1.10 0.00 0.00 33.01 31.61 1x1g s GLN 105 CO 0.02 0.61 0.69 0.00 -0.55 0.00 0.00 175.29 176.06 1x1g s ALA 106 N -0.84 3.65 -0.11 1.58 0.00 -1.26 -2.23 121.76 122.55 1x1g s ALA 106 Ca 0.13 -0.93 -0.24 0.00 0.00 0.00 0.00 51.96 50.93 1x1g s ALA 106 Cb -0.11 -2.24 -0.27 0.00 0.00 0.00 0.00 23.12 20.49 1x1g s ALA 106 CO 0.03 -0.38 0.72 1.03 0.00 0.00 0.00 175.76 177.17 1x1g h SER 107 N 0.36 0.23 -3.96 0.00 0.87 -1.90 -3.47 113.55 105.67 1x1g h SER 107 Ca -0.47 -0.91 -0.58 0.00 -1.23 0.00 0.00 61.79 58.61 1x1g h SER 107 Cb 1.24 -0.07 -0.21 0.00 -0.44 0.00 0.00 62.40 62.92 1x1g h SER 107 CO 0.59 1.29 -0.82 -0.44 -0.53 0.00 0.00 176.83 176.91 1x1g s SER 108 N -6.68 2.73 0.21 6.23 0.01 -1.26 -5.00 113.70 109.94 1x1g s SER 108 Ca -0.18 -0.74 -0.20 0.00 1.31 0.00 0.00 55.95 56.14 1x1g s SER 108 Cb 0.00 -0.16 0.18 0.00 0.21 0.00 0.00 66.02 66.25 1x1g s SER 108 CO 0.74 0.06 1.56 0.50 0.41 0.00 0.00 173.24 176.51 1x1g h LYS 109 N 3.83 -0.04 -0.03 12.44 3.11 -1.93 0.51 116.57 134.45 1x1g h LYS 109 Ca -0.46 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.39 1x1g h LYS 109 Cb 1.19 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.41 1x1g h LYS 109 CO 0.42 -0.03 -0.03 0.00 -2.81 0.00 0.00 179.45 177.00 1x1g h ALA 110 N 1.17 -0.00 -1.00 5.00 0.00 -1.99 -1.79 119.26 120.65 1x1g h ALA 110 Ca 0.30 0.02 0.37 0.00 0.00 0.00 0.00 54.91 55.60 1x1g h ALA 110 Cb 0.57 0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.26 1x1g h ALA 110 CO -0.92 -0.52 0.50 1.49 0.00 0.00 0.00 179.25 179.81 1x1g h GLU 111 N -0.04 0.11 0.09 0.00 4.57 -0.46 0.51 114.58 119.36 1x1g h GLU 111 Ca 0.03 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1x1g h GLU 111 Cb 0.08 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1x1g h GLU 111 CO -0.06 0.07 -0.04 -0.09 -1.18 0.00 0.00 179.01 177.71 1x1g h ARG 112 N 0.11 -0.12 -0.81 1.92 1.12 -0.18 1.21 114.38 117.64 1x1g h ARG 112 Ca 0.78 0.01 0.20 0.00 -1.11 0.00 0.00 59.98 59.86 1x1g h ARG 112 Cb 1.95 0.03 -0.13 0.00 -0.01 0.00 0.00 29.97 31.80 1x1g h ARG 112 CO -0.72 -0.08 0.11 0.00 -3.11 0.00 0.00 179.97 176.17 1x1g h ALA 113 N -1.94 0.99 0.84 2.80 0.00 -1.00 0.39 119.26 121.35 1x1g h ALA 113 Ca -0.01 0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1x1g h ALA 113 Cb 0.09 0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1x1g h ALA 113 CO 0.02 -0.43 -0.41 0.93 0.00 0.00 0.00 179.25 179.36 1x1g h GLU 114 N 0.16 -1.09 -1.32 0.00 4.39 0.02 0.34 114.58 117.08 1x1g h GLU 114 Ca 0.47 0.07 0.39 0.00 0.34 0.00 0.00 59.36 60.63 1x1g h GLU 114 Cb 0.88 0.25 -0.08 0.00 -0.10 0.00 0.00 28.75 29.69 1x1g h GLU 114 CO -0.65 -0.73 0.91 -1.49 -1.16 0.00 0.00 179.01 175.89 1x1g h TRP 115 N -1.20 0.26 0.00 4.33 4.06 0.27 0.42 115.95 124.09 1x1g h TRP 115 Ca -0.12 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.84 1x1g h TRP 115 Cb 0.87 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.96 1x1g h TRP 115 CO 0.02 -0.03 0.00 -0.89 -3.56 0.00 0.00 178.44 173.98 1x1g n ILE 116 N -4.35 0.00 -0.27 1.49 5.41 0.12 -2.67 119.36 119.10 1x1g n ILE 116 Ca 0.31 0.46 0.07 0.00 1.00 0.00 0.00 62.75 64.59 1x1g n ILE 116 Cb 1.34 -0.96 0.15 0.00 -0.71 0.00 0.00 39.64 39.46 1x1g n ILE 116 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1x1g n GLU 117 N -0.84 -0.07 -0.03 0.38 0.00 0.11 0.73 120.64 120.93 1x1g n GLU 117 Ca 0.00 1.16 -0.10 0.00 0.00 0.00 0.00 57.16 58.22 1x1g n GLU 117 Cb 0.00 -1.77 -0.07 0.00 0.00 0.00 0.00 31.44 29.60 1x1g n GLU 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x1g h ALA 118 N 1.51 -0.73 -0.57 4.31 0.00 -0.30 0.95 119.26 124.42 1x1g h ALA 118 Ca 0.40 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.37 1x1g h ALA 118 Cb 0.69 0.92 -0.11 0.00 0.00 0.00 0.00 17.79 19.29 1x1g h ALA 118 CO -0.75 -0.88 -0.36 0.82 0.00 0.00 0.00 179.25 178.08 1x1g h ILE 119 N -0.38 0.15 -0.22 0.00 2.04 0.54 0.11 117.51 119.76 1x1g h ILE 119 Ca 0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.95 1x1g h ILE 119 Cb 0.46 0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 36.63 1x1g h ILE 119 CO -0.34 0.00 -0.25 0.11 0.00 0.00 0.00 178.15 177.68 1x1g h LYS 120 N -0.18 -0.26 -1.00 2.37 6.56 -0.18 -1.15 116.57 122.73 1x1g h LYS 120 Ca 0.22 0.02 0.12 0.00 -1.06 0.00 0.00 60.65 59.94 1x1g h LYS 120 Cb 0.55 0.06 -0.14 0.00 -0.57 0.00 0.00 32.23 32.13 1x1g h LYS 120 CO -0.67 -0.17 -0.50 1.63 -2.06 0.00 0.00 179.45 177.68 1x1g n LYS 121 N -5.38 -0.35 0.07 3.15 5.02 0.32 0.09 118.16 121.08 1x1g n LYS 121 Ca -0.01 1.52 -0.13 0.00 -2.02 0.00 0.00 58.31 57.67 1x1g n LYS 121 Cb 0.29 -2.25 -0.06 0.00 -0.02 0.00 0.00 35.03 33.00 1x1g n LYS 121 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1x1g h LEU 122 N 0.00 -1.09 -8.16 -0.35 -0.00 -0.35 -3.31 115.31 102.05 1x1g h LEU 122 Ca 0.24 0.13 -0.11 0.00 -0.00 0.00 0.00 57.88 58.15 1x1g h LEU 122 Cb 0.49 0.43 -0.02 0.00 -0.00 0.00 0.00 40.66 41.57 1x1g h LEU 122 CO -0.96 -0.42 0.32 0.42 -0.00 0.00 0.00 178.44 177.79 1x1g s THR 123 N -5.96 3.17 0.05 0.22 -4.23 0.11 -4.83 115.64 104.17 1x1g s THR 123 Ca -0.16 -0.24 -0.35 0.00 -1.18 0.00 0.00 61.69 59.77 1x1g s THR 123 Cb 0.09 -3.82 -0.18 0.00 1.34 0.00 0.00 72.50 69.93 1x1g s THR 123 CO 0.64 -0.34 0.87 -1.20 -0.54 0.00 0.00 174.62 174.06 1x1g n SER 124 N 17.70 -0.29 0.00 3.99 7.64 -1.25 -4.86 113.62 136.55 1x1g n SER 124 Ca 0.43 1.07 0.00 0.00 1.01 0.00 0.00 58.87 61.39 1x1g n SER 124 Cb 0.46 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1x1g n SER 124 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1g n GLY 125 N 1.51 0.01 0.10 0.23 0.00 -1.26 -4.98 105.19 100.80 1x1g n GLY 125 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1x1g n GLY 125 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1g h PRO 126 N 0.00 -0.13 0.00 1.61 0.13 -1.98 -3.48 132.00 128.15 1x1g h PRO 126 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1x1g h PRO 126 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1x1g h PRO 126 CO 0.00 0.38 0.00 0.43 -0.23 0.00 0.00 178.00 178.58 1x1g n SER 127 N -4.83 -2.34 -3.67 1.44 7.64 -1.26 -5.16 113.62 105.43 1x1g n SER 127 Ca -0.07 0.73 -0.10 0.00 1.01 0.00 0.00 58.87 60.43 1x1g n SER 127 Cb 0.28 2.39 -0.05 0.00 -1.01 0.00 0.00 64.21 65.82 1x1g n SER 127 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x1g s SER 128 N -1.97 -0.17 0.00 6.43 0.15 -1.26 -4.98 113.70 111.89 1x1g s SER 128 Ca 0.00 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1x1g s SER 128 Cb 0.00 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1x1g s SER 128 CO 0.00 -0.84 0.37 0.61 1.20 0.00 0.00 173.24 174.59