#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6n s SER 2 N 0.00 -0.13 0.41 4.38 0.15 -1.23 -3.40 113.70 113.88 1s6n s SER 2 Ca 0.00 0.14 0.04 0.00 0.70 0.00 0.00 55.95 56.83 1s6n s SER 2 Cb 0.00 0.34 -0.02 0.00 -1.71 0.00 0.00 66.02 64.62 1s6n s SER 2 CO 0.00 -0.24 0.13 -1.83 1.20 0.00 0.00 173.24 172.50 1s6n s GLU 3 N -0.67 1.94 -0.23 5.44 1.03 -1.26 -5.05 118.70 119.89 1s6n s GLU 3 Ca -0.08 -2.18 -0.16 0.00 0.03 0.00 0.00 54.97 52.59 1s6n s GLU 3 Cb -0.04 -0.62 -0.09 0.00 -0.80 0.00 0.00 34.13 32.58 1s6n s GLU 3 CO 0.01 -0.48 -0.35 1.19 -1.33 0.00 0.00 175.26 174.30 1s6n n PHE 4 N -0.92 0.00 -0.15 4.83 3.72 -1.26 -4.51 117.46 119.17 1s6n n PHE 4 Ca -0.06 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.45 1s6n n PHE 4 Cb 0.65 -0.77 0.45 0.00 -0.94 0.00 0.00 39.48 38.87 1s6n n PHE 4 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1s6n h GLN 5 N -0.99 0.52 -0.39 -1.08 -0.00 -2.00 -1.27 115.11 109.91 1s6n h GLN 5 Ca -0.39 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.65 58.16 1s6n h GLN 5 Cb 1.33 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.48 28.68 1s6n h GLN 5 CO -0.24 0.35 -0.02 1.25 -0.00 0.00 0.00 178.83 180.17 1s6n h LEU 6 N 0.54 0.69 -0.35 0.06 6.46 -1.99 -3.09 115.31 117.63 1s6n h LEU 6 Ca 0.33 -0.32 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1s6n h LEU 6 Cb 0.56 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 1s6n h LEU 6 CO -0.11 0.85 0.13 0.11 -0.62 0.00 0.00 178.44 178.80 1s6n h LYS 7 N 0.52 0.53 -4.46 1.25 1.79 -1.55 -3.39 116.57 111.26 1s6n h LYS 7 Ca 0.11 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1s6n h LYS 7 Cb 0.51 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1s6n h LYS 7 CO 0.02 0.53 0.00 0.41 -1.08 0.00 0.00 179.45 179.33 1s6n n GLY 8 N -0.73 0.00 3.44 3.86 0.00 -0.57 -4.56 105.19 106.63 1s6n n GLY 8 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1s6n n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s6n n THR 9 N 2.15 0.50 0.24 2.61 -2.24 -1.26 -4.70 114.28 111.58 1s6n n THR 9 Ca 0.00 -0.46 0.12 0.00 -2.27 0.00 0.00 64.05 61.44 1s6n n THR 9 Cb 0.00 -2.08 0.17 0.00 -2.10 0.00 0.00 70.33 66.33 1s6n n THR 9 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1s6n h THR 10 N 5.28 0.00 -2.95 4.28 1.35 -1.92 -3.48 112.91 115.47 1s6n h THR 10 Ca 0.24 -0.95 0.03 0.00 -0.55 0.00 0.00 66.41 65.18 1s6n h THR 10 Cb 0.76 1.91 -0.02 0.00 -1.73 0.00 0.00 68.15 69.07 1s6n h THR 10 CO 1.79 0.00 0.28 -0.47 -0.25 0.00 0.00 175.52 176.87 1s6n s TYR 11 N -3.21 0.00 0.18 4.73 5.04 -1.26 -5.05 117.35 117.77 1s6n s TYR 11 Ca 0.07 -0.58 -0.30 0.00 -2.44 0.00 0.00 57.07 53.81 1s6n s TYR 11 Cb 0.06 0.78 -0.08 0.00 0.35 0.00 0.00 41.96 43.07 1s6n s TYR 11 CO 0.68 -1.40 1.31 0.20 -1.34 0.00 0.00 175.55 175.00 1s6n s GLY 12 N -3.03 2.38 -0.57 8.97 0.00 -1.26 -4.52 107.32 109.29 1s6n s GLY 12 Ca 0.14 1.09 -0.27 0.00 0.00 0.00 0.00 44.72 45.68 1s6n s GLY 12 CO 0.09 2.11 1.74 0.54 0.00 0.00 0.00 173.10 177.58 1s6n s VAL 13 N 0.33 3.47 0.06 1.40 0.11 -1.26 -0.42 120.40 124.10 1s6n s VAL 13 Ca 0.58 0.34 -0.15 0.00 -2.93 0.00 0.00 61.98 59.81 1s6n s VAL 13 Cb -0.36 -4.04 0.03 0.00 -1.53 0.00 0.00 36.38 30.47 1s6n s VAL 13 CO 0.36 -0.94 0.35 0.00 -3.33 0.00 0.00 175.10 171.54 1s6n n SER 15 N 0.33 0.00 0.00 0.00 2.88 -1.26 -2.68 113.62 112.88 1s6n n SER 15 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1s6n n SER 15 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1s6n n SER 15 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1s6n n LYS 16 N -0.69 0.00 -3.27 -1.46 4.81 -1.26 -4.27 118.16 112.03 1s6n n LYS 16 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 1s6n n LYS 16 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 1s6n n LYS 16 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1s6n n ALA 17 N 0.30 3.33 -2.59 3.14 0.00 -1.26 -5.05 120.51 118.39 1s6n n ALA 17 Ca 0.00 -4.13 -0.26 0.00 0.00 0.00 0.00 53.44 49.05 1s6n n ALA 17 Cb 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 19.45 18.51 1s6n n ALA 17 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1s6n s PHE 18 N -2.08 2.64 -0.01 0.00 0.08 -1.26 -0.41 117.98 116.94 1s6n s PHE 18 Ca 0.39 -0.22 -0.03 0.00 0.12 0.00 0.00 56.93 57.18 1s6n s PHE 18 Cb 0.19 -1.25 -0.00 0.00 -0.57 0.00 0.00 43.02 41.38 1s6n s PHE 18 CO -0.07 0.55 0.07 0.21 -0.10 0.00 0.00 175.22 175.88 1s6n s LYS 19 N -3.07 0.26 0.32 0.44 2.20 0.01 -4.86 119.74 115.04 1s6n s LYS 19 Ca 0.27 -0.22 -0.29 0.00 -0.36 0.00 0.00 55.97 55.36 1s6n s LYS 19 Cb -0.08 0.11 -0.11 0.00 -1.51 0.00 0.00 37.83 36.24 1s6n s LYS 19 CO 0.16 -0.05 1.50 -0.06 -0.36 0.00 0.00 175.35 176.55 1s6n s PHE 20 N -0.76 2.75 -0.08 4.03 0.08 -1.26 -0.54 117.98 122.20 1s6n s PHE 20 Ca -0.08 1.03 -0.02 0.00 0.12 0.00 0.00 56.93 57.97 1s6n s PHE 20 Cb -0.05 -3.98 -0.04 0.00 -0.57 0.00 0.00 43.02 38.38 1s6n s PHE 20 CO 0.00 -3.06 -0.09 -0.11 -0.10 0.00 0.00 175.22 171.85 1s6n n LEU 21 N 1.37 1.52 -3.87 -0.37 -0.00 0.42 -4.76 117.00 111.32 1s6n n LEU 21 Ca 0.04 0.05 -0.20 0.00 -0.00 0.00 0.00 56.01 55.90 1s6n n LEU 21 Cb 0.39 -0.26 -0.16 0.00 -0.00 0.00 0.00 43.42 43.39 1s6n n LEU 21 CO 0.63 0.35 -0.40 -0.83 -0.00 0.00 0.00 177.39 177.14 1s6n s GLY 22 N -5.00 0.41 0.53 -3.96 0.00 -0.20 -4.99 107.32 94.12 1s6n s GLY 22 Ca -0.11 -0.02 -0.22 0.00 0.00 0.00 0.00 44.72 44.37 1s6n s GLY 22 CO 0.16 0.52 1.26 -1.30 0.00 0.00 0.00 173.10 173.73 1s6n n THR 23 N 4.14 3.58 -1.69 0.90 -2.24 -1.26 -0.86 114.28 116.85 1s6n n THR 23 Ca -0.24 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.62 1s6n n THR 23 Cb 0.51 -1.53 -0.03 0.00 -2.10 0.00 0.00 70.33 67.18 1s6n n THR 23 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1s6n n PRO 24 N -0.82 2.78 -4.66 -0.78 -0.04 -1.26 -4.63 135.00 125.60 1s6n n PRO 24 Ca 0.11 1.01 -0.27 0.00 -0.04 0.00 0.00 63.50 64.31 1s6n n PRO 24 Cb 0.44 -2.91 -0.17 0.00 -0.04 0.00 0.00 33.50 30.82 1s6n n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s6n s ALA 25 N 2.88 1.55 0.12 0.55 0.00 -0.28 -4.94 121.76 121.64 1s6n s ALA 25 Ca 0.83 -0.61 -0.31 0.00 0.00 0.00 0.00 51.96 51.87 1s6n s ALA 25 Cb -0.48 -0.69 -0.08 0.00 0.00 0.00 0.00 23.12 21.86 1s6n s ALA 25 CO 0.38 0.09 1.41 0.34 0.00 0.00 0.00 175.76 177.97 1s6n s ASP 26 N 0.71 6.80 0.00 0.00 -1.08 -1.26 -1.11 116.67 120.73 1s6n s ASP 26 Ca -0.13 2.35 0.18 0.00 -0.52 0.00 0.00 52.55 54.43 1s6n s ASP 26 Cb -0.16 -2.59 0.96 0.00 -1.46 0.00 0.00 42.92 39.67 1s6n s ASP 26 CO 0.03 -0.67 1.55 0.35 0.52 0.00 0.00 175.17 176.95 1s6n n THR 27 N 3.98 0.37 -0.11 1.71 -2.24 0.67 -4.87 114.28 113.79 1s6n n THR 27 Ca 0.12 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1s6n n THR 27 Cb 0.42 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 1s6n n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s6n n GLY 28 N 0.24 1.93 0.41 3.38 0.00 -1.26 -4.78 105.19 105.11 1s6n n GLY 28 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.26 1s6n n GLY 28 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1s6n n HIS 29 N -2.00 0.00 -0.46 1.61 8.25 -1.26 -4.93 115.22 116.42 1s6n n HIS 29 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1s6n n HIS 29 Cb 0.00 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.09 1s6n n HIS 29 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s6n n GLY 30 N 1.19 0.74 3.98 -1.41 0.00 -1.26 -5.08 105.19 103.34 1s6n n GLY 30 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1s6n n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s6n s THR 31 N -2.86 4.85 -0.14 2.61 -4.23 -1.26 -4.09 115.64 110.52 1s6n s THR 31 Ca 0.00 -0.98 -0.01 0.00 -1.18 0.00 0.00 61.69 59.52 1s6n s THR 31 Cb 0.00 -3.70 -0.02 0.00 1.34 0.00 0.00 72.50 70.12 1s6n s THR 31 CO 0.00 -0.27 -0.11 0.68 -0.54 0.00 0.00 174.62 174.37 1s6n s VAL 32 N -2.05 3.16 -0.22 2.29 -7.23 0.82 -0.24 120.40 116.93 1s6n s VAL 32 Ca 0.38 -0.62 -0.29 0.00 -1.81 0.00 0.00 61.98 59.64 1s6n s VAL 32 Cb -0.09 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.50 1s6n s VAL 32 CO 0.30 0.51 1.16 0.68 -0.31 0.00 0.00 175.10 177.44 1s6n s VAL 33 N 0.47 4.44 -0.05 1.32 -7.23 -0.27 -1.60 120.40 117.48 1s6n s VAL 33 Ca -0.08 1.72 0.01 0.00 -1.81 0.00 0.00 61.98 61.82 1s6n s VAL 33 Cb -0.15 -4.18 0.02 0.00 0.56 0.00 0.00 36.38 32.63 1s6n s VAL 33 CO 0.04 -0.23 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.32 1s6n s LEU 34 N 3.51 1.40 -0.08 1.32 0.20 0.26 -1.12 118.68 124.16 1s6n s LEU 34 Ca 0.50 -0.18 0.05 0.00 0.69 0.00 0.00 54.13 55.19 1s6n s LEU 34 Cb -0.18 -0.56 -0.01 0.00 -0.43 0.00 0.00 46.19 45.01 1s6n s LEU 34 CO 0.12 -0.03 -0.23 -0.70 -0.29 0.00 0.00 176.35 175.22 1s6n s GLU 35 N 0.89 2.81 0.34 1.98 2.12 -0.04 -0.35 118.70 126.44 1s6n s GLU 35 Ca -0.11 -0.87 0.07 0.00 0.36 0.00 0.00 54.97 54.41 1s6n s GLU 35 Cb -0.15 -2.26 -0.07 0.00 0.26 0.00 0.00 34.13 31.92 1s6n s GLU 35 CO 0.01 0.30 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.50 1s6n s LEU 36 N 0.06 2.58 -0.04 2.70 1.02 -0.88 -0.44 118.68 123.67 1s6n s LEU 36 Ca -0.10 -1.29 0.06 0.00 0.02 0.00 0.00 54.13 52.82 1s6n s LEU 36 Cb -0.15 -0.72 -0.01 0.00 0.02 0.00 0.00 46.19 45.32 1s6n s LEU 36 CO 0.06 -0.41 -0.22 0.00 0.02 0.00 0.00 176.35 175.80 1s6n s GLN 37 N -3.74 2.12 -0.58 1.70 -2.07 0.30 -0.69 119.66 116.70 1s6n s GLN 37 Ca 0.33 -0.79 -0.21 0.00 -1.82 0.00 0.00 55.36 52.88 1s6n s GLN 37 Cb 0.07 -1.87 0.07 0.00 -1.09 0.00 0.00 33.01 30.19 1s6n s GLN 37 CO 0.15 0.36 0.80 -0.47 -1.32 0.00 0.00 175.29 174.82 1s6n s TYR 38 N -0.19 2.88 -1.29 9.60 6.14 0.24 -0.81 117.35 133.92 1s6n s TYR 38 Ca -0.01 -0.51 0.28 0.00 0.64 0.00 0.00 57.07 57.47 1s6n s TYR 38 Cb -0.12 -3.96 1.33 0.00 0.42 0.00 0.00 41.96 39.64 1s6n s TYR 38 CO 0.02 -1.33 1.94 0.25 0.64 0.00 0.00 175.55 177.07 1s6n n THR 39 N 5.82 0.10 -3.73 4.34 -2.24 0.45 -4.29 114.28 114.72 1s6n n THR 39 Ca -0.05 0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.54 1s6n n THR 39 Cb 0.45 -0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 68.11 1s6n n THR 39 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1s6n s GLY 40 N -2.71 1.28 0.04 3.38 0.00 -1.20 -5.03 107.32 103.07 1s6n s GLY 40 Ca 0.22 -1.13 0.28 0.00 0.00 0.00 0.00 44.72 44.08 1s6n s GLY 40 CO 0.45 -1.12 1.80 -1.30 0.00 0.00 0.00 173.10 172.93 1s6n n THR 41 N -1.56 0.10 -3.81 0.90 -2.24 -1.26 -4.55 114.28 101.86 1s6n n THR 41 Ca -0.07 -0.05 -0.05 0.00 -2.27 0.00 0.00 64.05 61.61 1s6n n THR 41 Cb 0.57 -0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1s6n n THR 41 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1s6n s ASP 42 N -3.28 -0.13 0.00 3.42 -4.77 -1.25 -4.66 116.67 105.99 1s6n s ASP 42 Ca 0.13 -0.62 0.00 0.00 -3.30 0.00 0.00 52.55 48.76 1s6n s ASP 42 Cb 0.18 0.60 0.00 0.00 -1.09 0.00 0.00 42.92 42.61 1s6n s ASP 42 CO 0.58 -1.14 0.00 0.61 0.70 0.00 0.00 175.17 175.91 1s6n n GLY 43 N -0.52 0.75 3.54 2.12 0.00 -1.26 -4.92 105.19 104.90 1s6n n GLY 43 Ca -0.05 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1s6n n GLY 43 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1s6n n PRO 44 N 0.00 1.22 -3.70 1.61 -0.02 -1.26 -4.84 135.00 128.00 1s6n n PRO 44 Ca 0.00 0.21 -0.10 0.00 -2.02 0.00 0.00 63.50 61.59 1s6n n PRO 44 Cb 0.00 -3.00 -0.04 0.00 -0.02 0.00 0.00 33.50 30.43 1s6n n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s6n s LYS 46 N -3.85 3.24 -0.19 0.00 2.20 0.44 0.28 119.74 121.86 1s6n s LYS 46 Ca 0.07 -0.98 -0.33 0.00 -0.36 0.00 0.00 55.97 54.37 1s6n s LYS 46 Cb 0.00 -4.43 -0.10 0.00 -1.51 0.00 0.00 37.83 31.79 1s6n s LYS 46 CO -0.06 -1.86 2.04 1.55 -0.36 0.00 0.00 175.35 176.65 1s6n n VAL 47 N 5.94 0.42 -2.67 4.02 3.14 -1.09 -2.29 118.33 125.80 1s6n n VAL 47 Ca 0.05 -0.23 -0.42 0.00 -2.96 0.00 0.00 64.34 60.78 1s6n n VAL 47 Cb 0.47 -1.95 -0.03 0.00 -1.06 0.00 0.00 33.84 31.27 1s6n n VAL 47 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1s6n s PRO 48 N 5.18 3.58 0.00 1.45 0.04 -1.26 -4.53 135.00 139.46 1s6n s PRO 48 Ca 0.99 -1.29 0.06 0.00 0.04 0.00 0.00 61.00 60.80 1s6n s PRO 48 Cb -0.67 -5.20 -0.03 0.00 0.04 0.00 0.00 34.50 28.65 1s6n s PRO 48 CO 0.48 -2.08 -0.16 -1.50 0.04 0.00 0.00 177.00 173.78 1s6n s ILE 49 N 4.32 2.90 0.20 0.56 2.07 -1.26 -0.45 121.20 129.53 1s6n s ILE 49 Ca 0.42 -0.99 -0.12 0.00 -1.41 0.00 0.00 60.65 58.55 1s6n s ILE 49 Cb -0.02 -2.18 0.00 0.00 0.13 0.00 0.00 42.46 40.39 1s6n s ILE 49 CO -0.09 0.45 0.40 -0.55 -1.91 0.00 0.00 174.94 173.24 1s6n s SER 50 N -1.13 -0.07 -0.05 4.50 0.15 0.34 -4.93 113.70 112.51 1s6n s SER 50 Ca 0.13 -0.80 -0.01 0.00 0.70 0.00 0.00 55.95 55.97 1s6n s SER 50 Cb -0.11 0.52 0.03 0.00 -1.71 0.00 0.00 66.02 64.75 1s6n s SER 50 CO 0.03 -1.01 0.03 -0.55 1.20 0.00 0.00 173.24 172.95 1s6n s SER 51 N -2.96 1.18 0.39 5.45 0.15 -1.26 -1.20 113.70 115.44 1s6n s SER 51 Ca 0.17 0.01 0.06 0.00 0.70 0.00 0.00 55.95 56.89 1s6n s SER 51 Cb 0.01 -0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 64.05 1s6n s SER 51 CO 0.02 -0.21 0.21 0.68 1.20 0.00 0.00 173.24 175.14 1s6n s VAL 52 N 1.94 0.29 -0.16 4.45 -7.23 0.21 -0.79 120.40 119.10 1s6n s VAL 52 Ca 0.03 -2.00 0.13 0.00 -1.81 0.00 0.00 61.98 58.33 1s6n s VAL 52 Cb -0.12 -2.37 -0.19 0.00 0.56 0.00 0.00 36.38 34.25 1s6n s VAL 52 CO -0.04 0.00 0.36 0.00 -0.31 0.00 0.00 175.10 175.11 1s6n n ALA 53 N -0.83 2.79 -2.69 1.32 0.00 -1.26 -1.08 120.51 118.75 1s6n n ALA 53 Ca -0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 53.44 53.07 1s6n n ALA 53 Cb 0.63 -0.47 0.12 0.00 0.00 0.00 0.00 19.45 19.73 1s6n n ALA 53 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1s6n n SER 54 N -1.81 -1.23 0.00 0.00 7.64 -1.26 -4.06 113.62 112.89 1s6n n SER 54 Ca -0.01 -2.29 0.00 0.00 1.01 0.00 0.00 58.87 57.57 1s6n n SER 54 Cb 0.32 0.64 0.00 0.00 -1.01 0.00 0.00 64.21 64.16 1s6n n SER 54 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1s6n n LEU 55 N -1.14 0.92 -2.04 -3.43 0.00 -1.26 -4.88 117.00 105.17 1s6n n LEU 55 Ca -0.10 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 55.87 1s6n n LEU 55 Cb 0.86 -2.22 -0.05 0.00 0.00 0.00 0.00 43.42 42.01 1s6n n LEU 55 CO -0.10 -0.86 0.87 -0.46 0.00 0.00 0.00 177.39 176.84 1s6n n ASN 56 N -0.59 2.79 0.00 1.96 6.94 -1.26 -4.74 115.26 120.36 1s6n n ASN 56 Ca 0.00 -1.91 0.03 0.00 -0.02 0.00 0.00 54.58 52.68 1s6n n ASN 56 Cb 0.40 -0.69 0.19 0.00 -2.36 0.00 0.00 39.78 37.33 1s6n n ASN 56 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1s6n n ASP 57 N 2.34 0.00 0.01 0.53 2.03 -1.26 -1.22 116.55 118.98 1s6n n ASP 57 Ca 0.14 -0.09 0.01 0.00 0.52 0.00 0.00 54.79 55.37 1s6n n ASP 57 Cb 0.40 -0.09 0.07 0.00 -0.72 0.00 0.00 41.12 40.78 1s6n n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s6n n LEU 58 N -1.09 0.04 -3.23 -2.67 -0.00 -1.26 -4.30 117.00 104.49 1s6n n LEU 58 Ca 0.05 0.52 -0.03 0.00 -0.00 0.00 0.00 56.01 56.54 1s6n n LEU 58 Cb 0.03 -0.52 -0.03 0.00 -0.00 0.00 0.00 43.42 42.90 1s6n n LEU 58 CO 0.04 -0.51 0.01 -0.89 -0.00 0.00 0.00 177.39 176.04 1s6n s THR 59 N -3.04 -0.81 -0.27 1.47 2.01 -0.36 -5.14 115.64 109.51 1s6n s THR 59 Ca 0.00 -0.18 -0.40 0.00 0.31 0.00 0.00 61.69 61.42 1s6n s THR 59 Cb 0.01 -0.87 -0.15 0.00 0.01 0.00 0.00 72.50 71.50 1s6n s THR 59 CO 0.04 -0.16 1.76 -2.65 -0.69 0.00 0.00 174.62 172.92 1s6n n PRO 60 N 5.22 1.21 -0.04 4.92 -0.02 -1.26 -4.90 135.00 140.12 1s6n n PRO 60 Ca 0.04 0.44 0.03 0.00 -2.02 0.00 0.00 63.50 61.99 1s6n n PRO 60 Cb 0.52 -2.14 -0.16 0.00 -0.02 0.00 0.00 33.50 31.70 1s6n n PRO 60 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1s6n n VAL 61 N 4.68 0.53 -2.45 -1.45 0.31 -0.26 -4.73 118.33 114.95 1s6n n VAL 61 Ca 0.27 -0.64 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1s6n n VAL 61 Cb 0.14 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 1s6n n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s6n n GLY 62 N 1.44 4.74 3.26 2.92 0.00 0.03 -0.27 105.19 117.31 1s6n n GLY 62 Ca -0.15 -2.03 -0.16 0.00 0.00 0.00 0.00 46.02 43.68 1s6n n GLY 62 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s6n s ARG 63 N 2.07 1.53 0.31 1.61 3.03 -1.15 -4.34 118.95 122.01 1s6n s ARG 63 Ca 0.00 -1.85 -0.15 0.00 2.03 0.00 0.00 55.73 55.76 1s6n s ARG 63 Cb 0.00 0.31 -0.09 0.00 -1.03 0.00 0.00 34.95 34.14 1s6n s ARG 63 CO 0.00 -0.55 0.73 -0.51 -1.13 0.00 0.00 175.30 173.84 1s6n s LEU 64 N -3.28 4.08 -0.02 -1.89 2.01 -1.26 -0.32 118.68 118.00 1s6n s LEU 64 Ca 0.40 1.27 -0.00 0.00 0.01 0.00 0.00 54.13 55.81 1s6n s LEU 64 Cb 0.04 -4.04 -0.01 0.00 0.01 0.00 0.00 46.19 42.20 1s6n s LEU 64 CO 0.21 -0.19 -0.02 0.52 1.01 0.00 0.00 176.35 177.89 1s6n n VAL 65 N -0.30 0.09 -0.13 -1.59 0.31 0.35 -4.77 118.33 112.30 1s6n n VAL 65 Ca 0.03 -0.03 -0.08 0.00 -0.01 0.00 0.00 64.34 64.24 1s6n n VAL 65 Cb 0.53 -0.74 -0.00 0.00 -0.91 0.00 0.00 33.84 32.72 1s6n n VAL 65 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1s6n h THR 66 N -0.01 1.13 -2.72 2.52 2.02 -1.83 -3.48 112.91 110.54 1s6n h THR 66 Ca -0.04 -0.32 0.07 0.00 0.77 0.00 0.00 66.41 66.90 1s6n h THR 66 Cb 1.05 0.63 -0.10 0.00 -1.74 0.00 0.00 68.15 68.00 1s6n h THR 66 CO -0.01 0.14 0.33 0.54 0.37 0.00 0.00 175.52 176.88 1s6n s VAL 67 N -5.96 0.00 0.09 3.16 0.11 -1.26 -5.04 120.40 111.49 1s6n s VAL 67 Ca -0.13 -0.44 -0.31 0.00 -2.93 0.00 0.00 61.98 58.17 1s6n s VAL 67 Cb 0.10 -1.51 -0.10 0.00 -1.53 0.00 0.00 36.38 33.34 1s6n s VAL 67 CO 0.73 0.00 1.87 -3.20 -3.33 0.00 0.00 175.10 171.17 1s6n n ASN 68 N -0.40 4.01 -4.55 3.54 2.85 -1.26 -4.83 115.26 114.62 1s6n n ASN 68 Ca -0.09 0.97 -0.39 0.00 -0.11 0.00 0.00 54.58 54.95 1s6n n ASN 68 Cb 0.62 -1.53 -0.03 0.00 1.24 0.00 0.00 39.78 40.08 1s6n n ASN 68 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1s6n s PRO 69 N 3.20 2.78 -0.01 1.20 0.04 -1.26 -4.93 135.00 136.01 1s6n s PRO 69 Ca 0.84 0.39 -0.14 0.00 0.04 0.00 0.00 61.00 62.13 1s6n s PRO 69 Cb -0.49 -4.33 0.02 0.00 0.04 0.00 0.00 34.50 29.74 1s6n s PRO 69 CO 0.39 -2.57 0.29 -0.59 0.04 0.00 0.00 177.00 174.57 1s6n s PHE 70 N 8.17 -0.16 -1.02 0.56 -0.71 -1.26 -4.10 117.98 119.45 1s6n s PHE 70 Ca 0.59 0.23 -0.20 0.00 -1.04 0.00 0.00 56.93 56.51 1s6n s PHE 70 Cb -0.11 0.08 0.09 0.00 -1.21 0.00 0.00 43.02 41.87 1s6n s PHE 70 CO 0.19 -0.38 1.34 0.08 -1.34 0.00 0.00 175.22 175.12 1s6n s VAL 71 N -1.32 4.35 -1.71 -2.49 1.01 0.14 -4.83 120.40 115.56 1s6n s VAL 71 Ca -0.14 -1.34 0.18 0.00 0.00 0.00 0.00 61.98 60.68 1s6n s VAL 71 Cb -0.05 -4.95 0.41 0.00 0.00 0.00 0.00 36.38 31.79 1s6n s VAL 71 CO 0.04 -1.75 1.50 -1.54 0.00 0.00 0.00 175.10 173.36 1s6n n SER 72 N 7.64 0.00 -3.56 3.32 3.41 -1.26 -2.05 113.62 121.12 1s6n n SER 72 Ca 0.31 -0.27 -0.12 0.00 -0.26 0.00 0.00 58.87 58.53 1s6n n SER 72 Cb 0.49 -0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 64.26 1s6n n SER 72 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1s6n s VAL 73 N -2.29 0.04 0.23 -3.33 -7.23 -1.26 -5.00 120.40 101.57 1s6n s VAL 73 Ca 0.22 -0.32 0.16 0.00 -1.81 0.00 0.00 61.98 60.23 1s6n s VAL 73 Cb 0.12 -1.05 0.09 0.00 0.56 0.00 0.00 36.38 36.10 1s6n s VAL 73 CO 0.24 -0.18 1.73 0.00 -0.31 0.00 0.00 175.10 176.58 1s6n h ALA 74 N 2.45 1.05 0.00 1.32 0.00 -1.88 -3.09 119.26 119.11 1s6n h ALA 74 Ca -0.33 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1s6n h ALA 74 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1s6n h ALA 74 CO 0.43 0.53 0.00 0.25 0.00 0.00 0.00 179.25 180.46 1s6n n THR 75 N -3.68 0.00 0.34 0.00 -2.24 -1.26 -3.76 114.28 103.67 1s6n n THR 75 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1s6n n THR 75 Cb 0.51 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 1s6n n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s6n n ALA 76 N -0.76 1.50 0.48 6.98 0.00 -1.17 -4.53 120.51 123.02 1s6n n ALA 76 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1s6n n ALA 76 Cb 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1s6n n ALA 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s6n n ASN 77 N 0.32 1.18 -4.91 0.00 4.13 -1.26 -4.65 115.26 110.08 1s6n n ASN 77 Ca 0.00 -0.97 -0.28 0.00 1.68 0.00 0.00 54.58 55.02 1s6n n ASN 77 Cb 0.08 -0.24 0.07 0.00 -1.54 0.00 0.00 39.78 38.15 1s6n n ASN 77 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1s6n s ALA 78 N 0.10 2.90 -0.33 5.41 0.00 -1.26 -4.60 121.76 123.98 1s6n s ALA 78 Ca 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 1s6n s ALA 78 Cb 0.00 -2.82 0.05 0.00 0.00 0.00 0.00 23.12 20.36 1s6n s ALA 78 CO 0.00 -1.43 0.07 0.21 0.00 0.00 0.00 175.76 174.61 1s6n s LYS 79 N -5.40 2.46 -0.05 0.00 2.36 -1.26 -0.59 119.74 117.26 1s6n s LYS 79 Ca 0.60 -1.30 -0.02 0.00 -2.55 0.00 0.00 55.97 52.70 1s6n s LYS 79 Cb -0.11 -3.34 0.04 0.00 -1.05 0.00 0.00 37.83 33.36 1s6n s LYS 79 CO 0.47 -0.70 0.09 0.54 1.55 0.00 0.00 175.35 177.31 1s6n s VAL 80 N 1.30 -0.13 0.17 4.02 0.11 0.13 -5.00 120.40 120.99 1s6n s VAL 80 Ca -0.02 0.33 -0.30 0.00 -2.93 0.00 0.00 61.98 59.06 1s6n s VAL 80 Cb -0.20 -0.19 -0.07 0.00 -1.53 0.00 0.00 36.38 34.39 1s6n s VAL 80 CO 0.00 0.14 1.13 -0.76 -3.33 0.00 0.00 175.10 172.28 1s6n s LEU 81 N 1.85 4.47 -0.02 2.54 1.43 -1.26 -2.07 118.68 125.61 1s6n s LEU 81 Ca -0.00 2.11 0.02 0.00 -1.03 0.00 0.00 54.13 55.23 1s6n s LEU 81 Cb -0.12 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1s6n s LEU 81 CO -0.04 -0.28 -0.09 -0.63 0.23 0.00 0.00 176.35 175.54 1s6n s ILE 82 N -0.05 0.74 -0.03 -0.59 1.01 0.52 -4.98 121.20 117.82 1s6n s ILE 82 Ca 0.51 -0.35 -0.14 0.00 0.00 0.00 0.00 60.65 60.67 1s6n s ILE 82 Cb -0.30 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.46 1s6n s ILE 82 CO 0.35 0.23 0.39 -1.61 0.00 0.00 0.00 174.94 174.29 1s6n s GLU 83 N 0.14 3.96 0.29 2.79 2.02 -1.26 -0.58 118.70 126.05 1s6n s GLU 83 Ca -0.02 0.35 0.09 0.00 0.02 0.00 0.00 54.97 55.41 1s6n s GLU 83 Cb -0.08 -3.26 -0.06 0.00 0.10 0.00 0.00 34.13 30.84 1s6n s GLU 83 CO 0.00 0.61 -0.11 -0.51 0.02 0.00 0.00 175.26 175.27 1s6n s LEU 84 N -0.77 2.59 -0.48 1.80 1.02 -0.63 -0.50 118.68 121.71 1s6n s LEU 84 Ca 0.23 -1.13 -0.11 0.00 0.02 0.00 0.00 54.13 53.13 1s6n s LEU 84 Cb -0.16 -0.84 0.11 0.00 0.02 0.00 0.00 46.19 45.33 1s6n s LEU 84 CO 0.12 -0.20 0.38 -0.70 0.02 0.00 0.00 176.35 175.97 1s6n s GLU 85 N -3.64 2.66 0.04 1.70 2.12 0.57 -0.13 118.70 122.02 1s6n s GLU 85 Ca 0.29 -1.68 -0.30 0.00 0.36 0.00 0.00 54.97 53.63 1s6n s GLU 85 Cb 0.01 -4.02 -0.05 0.00 0.26 0.00 0.00 34.13 30.32 1s6n s GLU 85 CO 0.13 -1.19 1.20 -1.25 -0.54 0.00 0.00 175.26 173.61 1s6n s PRO 86 N 1.45 4.42 1.28 4.30 0.04 -1.26 -2.94 135.00 142.29 1s6n s PRO 86 Ca 0.05 1.75 -0.16 0.00 0.04 0.00 0.00 61.00 62.68 1s6n s PRO 86 Cb -0.27 -3.39 0.33 0.00 0.04 0.00 0.00 34.50 31.21 1s6n s PRO 86 CO 0.01 -0.29 0.97 -0.35 0.04 0.00 0.00 177.00 177.39 1s6n n PRO 87 N 4.16 -3.24 -3.35 0.56 -0.04 -1.26 -4.82 135.00 127.02 1s6n n PRO 87 Ca 0.09 -0.93 -0.19 0.00 -0.04 0.00 0.00 63.50 62.43 1s6n n PRO 87 Cb 0.46 -2.10 -0.00 0.00 -0.04 0.00 0.00 33.50 31.83 1s6n n PRO 87 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1s6n s PHE 88 N -2.32 3.06 0.00 0.54 0.40 -1.26 -4.35 117.98 114.06 1s6n s PHE 88 Ca 0.69 -0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.79 1s6n s PHE 88 Cb -0.23 -2.09 0.00 0.00 0.51 0.00 0.00 43.02 41.21 1s6n s PHE 88 CO 0.64 -0.11 0.00 0.41 0.70 0.00 0.00 175.22 176.86 1s6n n GLY 89 N -1.71 2.13 3.43 4.36 0.00 0.37 -4.78 105.19 109.00 1s6n n GLY 89 Ca 0.01 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 1s6n n GLY 89 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s6n s ASP 90 N -4.00 3.48 0.07 1.61 1.01 -1.26 -0.47 116.67 117.10 1s6n s ASP 90 Ca 0.00 -0.84 -0.07 0.00 0.71 0.00 0.00 52.55 52.35 1s6n s ASP 90 Cb 0.00 -0.28 -0.01 0.00 1.01 0.00 0.00 42.92 43.64 1s6n s ASP 90 CO 0.00 0.12 0.13 -0.55 0.21 0.00 0.00 175.17 175.08 1s6n s SER 91 N -2.65 0.19 0.04 0.27 0.15 0.35 -4.52 113.70 107.53 1s6n s SER 91 Ca 0.21 -0.66 0.05 0.00 0.70 0.00 0.00 55.95 56.24 1s6n s SER 91 Cb -0.08 0.28 -0.02 0.00 -1.71 0.00 0.00 66.02 64.49 1s6n s SER 91 CO 0.10 -0.64 -0.14 -0.31 1.20 0.00 0.00 173.24 173.45 1s6n s TYR 92 N -3.48 1.21 -0.25 3.44 1.51 -0.25 -0.27 117.35 119.27 1s6n s TYR 92 Ca 0.02 -0.35 -0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1s6n s TYR 92 Cb 0.04 -0.72 0.04 0.00 -0.11 0.00 0.00 41.96 41.20 1s6n s TYR 92 CO -0.09 0.03 -0.09 0.42 -1.11 0.00 0.00 175.55 174.72 1s6n s ILE 93 N -0.85 2.60 -0.10 2.71 -1.09 0.52 -0.62 121.20 124.36 1s6n s ILE 93 Ca 0.01 -1.21 0.00 0.00 -2.23 0.00 0.00 60.65 57.23 1s6n s ILE 93 Cb -0.08 -2.36 -0.02 0.00 -1.58 0.00 0.00 42.46 38.42 1s6n s ILE 93 CO 0.01 0.15 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.08 1s6n s VAL 94 N 1.25 3.39 -0.34 2.92 1.01 -0.34 -0.28 120.40 128.00 1s6n s VAL 94 Ca -0.02 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 1s6n s VAL 94 Cb -0.17 -2.40 0.12 0.00 0.00 0.00 0.00 36.38 33.92 1s6n s VAL 94 CO -0.05 0.56 0.16 -0.69 0.00 0.00 0.00 175.10 175.07 1s6n s VAL 95 N -0.23 0.70 0.00 2.92 1.01 -0.19 -0.50 120.40 124.12 1s6n s VAL 95 Ca 0.02 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.38 1s6n s VAL 95 Cb -0.13 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1s6n s VAL 95 CO 0.03 -0.80 0.00 0.61 0.00 0.00 0.00 175.10 174.94 1s6n n GLY 96 N 4.46 1.69 2.72 4.51 0.00 0.40 -0.06 105.19 118.91 1s6n n GLY 96 Ca 0.02 -1.20 -0.25 0.00 0.00 0.00 0.00 46.02 44.59 1s6n n GLY 96 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s6n s ARG 97 N -1.98 0.46 0.00 1.61 1.70 0.27 -4.73 118.95 116.28 1s6n s ARG 97 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.15 1s6n s ARG 97 Cb 0.00 -1.54 0.00 0.00 -0.57 0.00 0.00 34.95 32.84 1s6n s ARG 97 CO 0.00 -0.51 0.00 0.41 -1.08 0.00 0.00 175.30 174.12 1s6n n GLY 98 N 5.15 0.62 0.15 3.88 0.00 -1.26 -1.12 105.19 112.60 1s6n n GLY 98 Ca -0.07 0.68 0.12 0.00 0.00 0.00 0.00 46.02 46.75 1s6n n GLY 98 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1s6n h GLU 99 N 0.00 0.00 -3.72 1.61 9.09 -2.04 -3.39 114.58 116.13 1s6n h GLU 99 Ca 0.00 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.81 1s6n h GLU 99 Cb 0.00 0.00 -0.40 0.00 -1.65 0.00 0.00 28.75 26.70 1s6n h GLU 99 CO 0.00 0.00 -0.75 1.14 0.05 0.00 0.00 179.01 179.45 1s6n s GLN 100 N -3.38 0.89 0.09 1.06 -2.07 -0.27 -5.13 119.66 110.85 1s6n s GLN 100 Ca 0.03 -1.28 -0.11 0.00 -1.82 0.00 0.00 55.36 52.19 1s6n s GLN 100 Cb 0.09 -2.23 0.01 0.00 -1.09 0.00 0.00 33.01 29.79 1s6n s GLN 100 CO 0.38 -0.99 0.24 1.14 -1.32 0.00 0.00 175.29 174.74 1s6n s GLN 101 N 1.41 0.88 0.14 9.60 -2.07 -1.26 -0.57 119.66 127.79 1s6n s GLN 101 Ca 0.11 -0.85 -0.02 0.00 -1.82 0.00 0.00 55.36 52.78 1s6n s GLN 101 Cb -0.18 0.37 -0.04 0.00 -1.09 0.00 0.00 33.01 32.07 1s6n s GLN 101 CO -0.21 -0.29 0.09 0.42 -1.32 0.00 0.00 175.29 173.98 1s6n s ILE 102 N -3.67 0.09 0.23 3.63 1.01 0.92 -4.97 121.20 118.44 1s6n s ILE 102 Ca 0.03 -1.85 -0.05 0.00 0.00 0.00 0.00 60.65 58.78 1s6n s ILE 102 Cb 0.03 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.43 1s6n s ILE 102 CO -0.10 -0.41 0.28 0.54 0.00 0.00 0.00 174.94 175.24 1s6n s ASN 103 N -3.04 0.15 0.16 3.58 2.20 -1.26 -1.02 114.94 115.70 1s6n s ASN 103 Ca 0.24 -1.24 0.03 0.00 -0.94 0.00 0.00 52.86 50.96 1s6n s ASN 103 Cb 0.07 0.47 -0.05 0.00 -2.00 0.00 0.00 41.25 39.75 1s6n s ASN 103 CO 0.02 -0.98 -0.06 -2.28 -2.94 0.00 0.00 177.10 170.86 1s6n s HIS 104 N -4.03 1.24 0.25 1.54 2.46 0.61 -4.99 115.29 112.38 1s6n s HIS 104 Ca 0.33 -0.86 0.09 0.00 0.47 0.00 0.00 55.06 55.08 1s6n s HIS 104 Cb 0.04 -0.67 -0.04 0.00 -0.13 0.00 0.00 32.58 31.77 1s6n s HIS 104 CO 0.12 -0.03 0.05 -3.38 -2.47 0.00 0.00 174.74 169.03 1s6n s HIS 105 N -3.45 2.83 0.02 3.88 -3.43 -1.26 -0.36 115.29 113.52 1s6n s HIS 105 Ca 0.19 -0.18 -0.12 0.00 -0.80 0.00 0.00 55.06 54.15 1s6n s HIS 105 Cb 0.04 -1.27 0.01 0.00 -1.43 0.00 0.00 32.58 29.94 1s6n s HIS 105 CO 0.02 0.59 0.25 -1.58 -2.00 0.00 0.00 174.74 172.01 1s6n s TRP 106 N -2.23 -0.05 -0.14 0.38 0.52 0.63 -4.89 118.94 113.17 1s6n s TRP 106 Ca 0.32 -0.06 -0.04 0.00 0.02 0.00 0.00 56.10 56.34 1s6n s TRP 106 Cb -0.07 0.03 0.06 0.00 -1.15 0.00 0.00 33.47 32.35 1s6n s TRP 106 CO 0.21 -0.42 0.18 -1.01 0.02 0.00 0.00 176.95 175.93 1s6n s HIS 107 N -2.10 -0.18 -0.25 -1.98 3.76 -1.26 -0.50 115.29 112.78 1s6n s HIS 107 Ca -0.08 0.39 -0.02 0.00 -0.15 0.00 0.00 55.06 55.19 1s6n s HIS 107 Cb -0.03 -0.34 0.14 0.00 1.11 0.00 0.00 32.58 33.47 1s6n s HIS 107 CO -0.01 -0.42 0.41 -1.59 -0.85 0.00 0.00 174.74 172.28 1s6n s LYS 108 N 2.29 0.38 -1.04 1.40 -2.85 0.38 -4.94 119.74 115.35 1s6n s LYS 108 Ca 0.04 0.59 -0.04 0.00 -1.00 0.00 0.00 55.97 55.56 1s6n s LYS 108 Cb -0.14 -0.35 0.00 0.00 -2.06 0.00 0.00 37.83 35.29 1s6n s LYS 108 CO -0.08 -0.64 0.59 0.45 0.10 0.00 0.00 175.35 175.77 1s6n n SER 109 N 5.37 -4.91 0.00 0.03 2.88 -0.47 -0.48 113.62 116.05 1s6n n SER 109 Ca -0.03 -0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 1s6n n SER 109 Cb 0.50 -3.66 0.00 0.00 -0.75 0.00 0.00 64.21 60.30 1s6n n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s6n n GLY 110 N -1.41 0.00 3.73 0.46 0.00 0.70 -4.53 105.19 104.15 1s6n n GLY 110 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1s6n n GLY 110 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s6n s SER 111 N 0.00 4.44 0.62 1.61 0.15 0.79 -4.50 113.70 116.82 1s6n s SER 111 Ca 0.00 2.25 0.30 0.00 0.70 0.00 0.00 55.95 59.20 1s6n s SER 111 Cb 0.00 -2.58 1.63 0.00 -1.71 0.00 0.00 66.02 63.37 1s6n s SER 111 CO 0.00 -2.09 1.98 0.28 1.20 0.00 0.00 173.24 174.61 1s6n h SER 112 N -0.22 0.00 0.03 5.45 0.02 -1.89 0.76 113.55 117.69 1s6n h SER 112 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1s6n h SER 112 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1s6n h SER 112 CO 0.51 0.00 -0.09 -0.38 -1.14 0.00 0.00 176.83 175.73 1s6n n ILE 113 N -3.38 0.00 -0.45 3.27 2.08 -1.26 -4.98 119.36 114.64 1s6n n ILE 113 Ca 0.02 -0.29 0.00 0.00 0.56 0.00 0.00 62.75 63.04 1s6n n ILE 113 Cb 0.44 0.79 0.00 0.00 -0.75 0.00 0.00 39.64 40.12 1s6n n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1s6n n GLY 114 N 1.27 0.77 0.00 7.39 0.00 0.26 -5.17 105.19 109.71 1s6n n GLY 114 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1s6n n GLY 114 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90