#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 -0.07 0.31 4.38 0.15 -1.22 -2.90 113.70 114.36 1s6n s SER 2 Ca 0.00 -0.09 0.03 0.00 0.70 0.00 0.00 55.95 56.59 1s6n s SER 2 Cb 0.00 0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 1s6n s SER 2 CO 0.00 -0.42 0.14 -1.83 1.20 0.00 0.00 173.24 172.33 1s6n s GLU 3 N -1.44 1.61 -0.15 5.44 1.03 -1.26 -5.06 118.70 118.87 1s6n s GLU 3 Ca -0.14 -1.92 -0.11 0.00 0.03 0.00 0.00 54.97 52.83 1s6n s GLU 3 Cb -0.06 -0.23 -0.04 0.00 -0.80 0.00 0.00 34.13 32.99 1s6n s GLU 3 CO 0.02 -0.41 -0.20 0.34 -1.33 0.00 0.00 175.26 173.68 1s6n n PHE 4 N -0.61 0.77 -0.20 4.83 7.35 -1.26 -4.59 117.46 123.75 1s6n n PHE 4 Ca -0.00 0.34 0.05 0.00 -0.76 0.00 0.00 57.45 57.07 1s6n n PHE 4 Cb 0.65 -0.74 0.32 0.00 0.35 0.00 0.00 39.48 40.06 1s6n n PHE 4 CO 0.00 0.00 0.00 -0.56 -0.76 0.00 0.00 176.76 175.44 1s6n h GLN 5 N -1.00 0.82 0.00 -4.13 -0.00 -2.03 -1.28 115.11 107.49 1s6n h GLN 5 Ca -0.02 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.58 1s6n h GLN 5 Cb 0.63 -0.18 0.00 0.00 -0.00 0.00 0.00 27.48 27.92 1s6n h GLN 5 CO -0.01 0.54 0.00 1.25 -0.00 0.00 0.00 178.83 180.61 1s6n h LEU 6 N 0.84 0.00 0.00 0.06 5.85 -1.99 -2.05 115.31 118.02 1s6n h LEU 6 Ca 0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1s6n h LEU 6 Cb 0.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1s6n h LEU 6 CO -0.10 0.00 -0.31 0.29 -0.34 0.00 0.00 178.44 177.99 1s6n n LYS 7 N -2.38 0.06 -0.69 1.25 4.76 -0.48 -4.34 118.16 116.35 1s6n n LYS 7 Ca -0.00 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1s6n n LYS 7 Cb 0.12 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 1s6n n LYS 7 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s6n n GLY 8 N 1.46 0.00 3.12 0.72 0.00 -0.77 -4.62 105.19 105.09 1s6n n GLY 8 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 0.23 2.21 0.23 2.61 -2.24 -1.26 -4.72 114.28 111.33 1s6n n THR 9 Ca 0.00 -2.00 0.13 0.00 -2.27 0.00 0.00 64.05 59.91 1s6n n THR 9 Cb 0.00 -2.35 0.25 0.00 -2.10 0.00 0.00 70.33 66.13 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 4.66 0.01 -3.20 4.28 1.35 -1.91 -3.48 112.91 114.61 1s6n h THR 10 Ca 0.42 -0.93 -0.10 0.00 -0.55 0.00 0.00 66.41 65.25 1s6n h THR 10 Cb 0.71 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 69.04 1s6n h THR 10 CO 1.83 0.01 0.12 0.00 -0.25 0.00 0.00 175.52 177.23 1s6n n TYR 11 N -3.10 -1.94 -1.69 4.73 9.36 -1.26 -5.04 117.16 118.21 1s6n n TYR 11 Ca 0.03 -1.82 -0.44 0.00 3.32 0.00 0.00 57.90 58.99 1s6n n TYR 11 Cb 0.49 0.72 -0.03 0.00 -0.63 0.00 0.00 39.34 39.89 1s6n n TYR 11 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1s6n n GLY 12 N -0.49 1.26 3.56 2.98 0.00 -1.26 -4.49 105.19 106.75 1s6n n GLY 12 Ca -0.05 0.61 -0.39 0.00 0.00 0.00 0.00 46.02 46.18 1s6n n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s6n s VAL 13 N 0.82 3.37 0.04 1.61 0.11 -1.26 -1.08 120.40 124.00 1s6n s VAL 13 Ca 0.75 0.27 -0.27 0.00 -2.93 0.00 0.00 61.98 59.80 1s6n s VAL 13 Cb -0.60 -3.81 0.08 0.00 -1.53 0.00 0.00 36.38 30.52 1s6n s VAL 13 CO 0.38 -0.73 0.70 0.00 -3.33 0.00 0.00 175.10 172.12 1s6n n SER 15 N 0.15 0.00 0.00 0.00 3.41 -1.26 -2.48 113.62 113.44 1s6n n SER 15 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1s6n n SER 15 Cb 0.61 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 1s6n n SER 15 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1s6n n LYS 16 N -1.62 0.00 -3.71 4.33 4.81 -1.26 -4.63 118.16 116.09 1s6n n LYS 16 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 1s6n n LYS 16 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 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 0.00 3.72 -2.35 3.14 0.00 -1.26 -5.01 120.51 118.75 1s6n n ALA 17 Ca 0.00 -4.60 -0.19 0.00 0.00 0.00 0.00 53.44 48.66 1s6n n ALA 17 Cb 0.00 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 17.96 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 -1.55 1.72 0.00 0.00 0.08 -1.26 -0.68 117.98 116.28 1s6n s PHE 18 Ca 0.28 -0.57 -0.03 0.00 0.12 0.00 0.00 56.93 56.72 1s6n s PHE 18 Cb -0.04 -0.80 -0.01 0.00 -0.57 0.00 0.00 43.02 41.61 1s6n s PHE 18 CO -0.13 0.36 0.06 0.21 -0.10 0.00 0.00 175.22 175.62 1s6n s LYS 19 N -3.65 0.32 0.15 0.44 2.20 0.05 -4.79 119.74 114.48 1s6n s LYS 19 Ca 0.23 -0.37 -0.31 0.00 -0.36 0.00 0.00 55.97 55.15 1s6n s LYS 19 Cb -0.01 0.13 -0.11 0.00 -1.51 0.00 0.00 37.83 36.34 1s6n s LYS 19 CO 0.07 -0.06 1.71 -0.06 -0.36 0.00 0.00 175.35 176.65 1s6n s PHE 20 N -1.09 2.65 -0.27 4.03 0.08 -1.26 -0.44 117.98 121.67 1s6n s PHE 20 Ca -0.12 0.29 -0.12 0.00 0.12 0.00 0.00 56.93 57.11 1s6n s PHE 20 Cb -0.07 -4.08 -0.13 0.00 -0.57 0.00 0.00 43.02 38.17 1s6n s PHE 20 CO 0.00 -4.22 -0.31 -0.11 -0.10 0.00 0.00 175.22 170.48 1s6n n LEU 21 N 4.71 2.12 -3.81 -0.37 -0.00 0.22 -4.79 117.00 115.08 1s6n n LEU 21 Ca 0.16 0.27 -0.29 0.00 -0.00 0.00 0.00 56.01 56.14 1s6n n LEU 21 Cb 0.38 -0.84 -0.16 0.00 -0.00 0.00 0.00 43.42 42.80 1s6n n LEU 21 CO 0.64 0.63 -0.37 -0.83 -0.00 0.00 0.00 177.39 177.46 1s6n s GLY 22 N -5.64 1.10 0.82 -3.96 0.00 0.10 -4.98 107.32 94.76 1s6n s GLY 22 Ca -0.38 -1.37 -0.13 0.00 0.00 0.00 0.00 44.72 42.83 1s6n s GLY 22 CO 0.51 1.31 1.03 -1.30 0.00 0.00 0.00 173.10 174.65 1s6n n THR 23 N 4.81 1.65 -1.96 0.90 -2.24 -1.26 -0.22 114.28 115.96 1s6n n THR 23 Ca -0.06 -0.22 -0.40 0.00 -2.27 0.00 0.00 64.05 61.10 1s6n n THR 23 Cb 0.44 -1.06 -0.00 0.00 -2.10 0.00 0.00 70.33 67.61 1s6n n THR 23 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1s6n s PRO 24 N -3.92 3.97 -0.05 -0.78 0.04 -1.26 -4.73 135.00 128.27 1s6n s PRO 24 Ca 0.70 2.30 -0.02 0.00 0.04 0.00 0.00 61.00 64.02 1s6n s PRO 24 Cb -0.29 -2.81 0.03 0.00 0.04 0.00 0.00 34.50 31.47 1s6n s PRO 24 CO 0.54 -0.54 0.04 0.00 0.04 0.00 0.00 177.00 177.08 1s6n s ALA 25 N -1.21 0.40 -0.06 8.56 0.00 0.08 -4.96 121.76 124.57 1s6n s ALA 25 Ca 0.56 0.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 1s6n s ALA 25 Cb -0.41 -0.67 -0.06 0.00 0.00 0.00 0.00 23.12 21.98 1s6n s ALA 25 CO 0.54 -0.49 1.75 0.34 0.00 0.00 0.00 175.76 177.90 1s6n s ASP 26 N 2.10 6.53 0.50 0.00 -1.08 -1.26 -1.13 116.67 122.33 1s6n s ASP 26 Ca 0.05 2.26 0.29 0.00 -0.52 0.00 0.00 52.55 54.62 1s6n s ASP 26 Cb -0.12 -2.53 1.25 0.00 -1.46 0.00 0.00 42.92 40.06 1s6n s ASP 26 CO -0.04 -1.04 1.96 0.71 0.52 0.00 0.00 175.17 177.28 1s6n h THR 27 N 5.72 0.38 0.00 1.71 1.35 -1.18 -3.47 112.91 117.41 1s6n h THR 27 Ca -0.41 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 1s6n h THR 27 Cb 1.19 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1s6n h THR 27 CO 0.96 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.96 1s6n n GLY 28 N -0.15 1.31 0.07 5.82 0.00 -1.26 -4.86 105.19 106.12 1s6n n GLY 28 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 0.42 0.00 1.61 8.25 -1.26 -4.86 115.22 117.38 1s6n n HIS 29 Ca 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1s6n n HIS 29 Cb 0.00 -0.77 0.00 0.00 1.12 0.00 0.00 29.99 30.34 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 -0.06 0.54 3.22 -1.41 0.00 -1.26 -5.10 105.19 101.11 1s6n n GLY 30 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 1.26 -0.19 2.61 -4.23 -1.26 -4.32 115.64 107.51 1s6n s THR 31 Ca 0.00 -1.57 -0.17 0.00 -1.18 0.00 0.00 61.69 58.78 1s6n s THR 31 Cb 0.00 -1.37 -0.04 0.00 1.34 0.00 0.00 72.50 72.43 1s6n s THR 31 CO 0.00 -0.34 0.42 0.68 -0.54 0.00 0.00 174.62 174.85 1s6n s VAL 32 N -1.81 5.19 0.17 2.29 -7.23 0.45 -0.54 120.40 118.93 1s6n s VAL 32 Ca 0.05 0.78 -0.30 0.00 -1.81 0.00 0.00 61.98 60.70 1s6n s VAL 32 Cb -0.07 -3.76 -0.07 0.00 0.56 0.00 0.00 36.38 33.04 1s6n s VAL 32 CO 0.03 0.26 1.00 0.68 -0.31 0.00 0.00 175.10 176.76 1s6n s VAL 33 N 1.22 4.15 -0.04 1.32 -7.23 -0.28 -0.86 120.40 118.67 1s6n s VAL 33 Ca 0.21 1.92 -0.02 0.00 -1.81 0.00 0.00 61.98 62.28 1s6n s VAL 33 Cb -0.15 -4.22 0.03 0.00 0.56 0.00 0.00 36.38 32.60 1s6n s VAL 33 CO 0.08 0.36 0.09 -0.22 -0.31 0.00 0.00 175.10 175.09 1s6n s LEU 34 N -0.49 1.02 -0.09 1.32 0.20 0.37 -0.74 118.68 120.26 1s6n s LEU 34 Ca 0.46 0.17 0.04 0.00 0.69 0.00 0.00 54.13 55.49 1s6n s LEU 34 Cb -0.26 0.16 -0.01 0.00 -0.43 0.00 0.00 46.19 45.65 1s6n s LEU 34 CO 0.32 -0.12 -0.22 -0.70 -0.29 0.00 0.00 176.35 175.34 1s6n s GLU 35 N 0.97 2.93 0.31 1.98 2.12 0.69 -0.20 118.70 127.50 1s6n s GLU 35 Ca -0.08 -0.85 0.11 0.00 0.36 0.00 0.00 54.97 54.51 1s6n s GLU 35 Cb -0.11 -2.31 -0.06 0.00 0.26 0.00 0.00 34.13 31.92 1s6n s GLU 35 CO -0.04 0.26 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.29 1s6n s LEU 36 N 0.16 2.69 -0.13 2.70 1.02 -0.57 -0.61 118.68 123.95 1s6n s LEU 36 Ca -0.12 -1.08 0.01 0.00 0.02 0.00 0.00 54.13 52.95 1s6n s LEU 36 Cb -0.16 -1.10 -0.01 0.00 0.02 0.00 0.00 46.19 44.94 1s6n s LEU 36 CO 0.07 -0.07 -0.15 0.00 0.02 0.00 0.00 176.35 176.21 1s6n s GLN 37 N -3.57 3.30 -0.72 1.70 -2.07 0.41 -0.39 119.66 118.33 1s6n s GLN 37 Ca 0.31 -0.73 -0.27 0.00 -1.82 0.00 0.00 55.36 52.86 1s6n s GLN 37 Cb -0.02 -2.56 0.03 0.00 -1.09 0.00 0.00 33.01 29.37 1s6n s GLN 37 CO 0.16 0.19 1.24 -0.47 -1.32 0.00 0.00 175.29 175.09 1s6n s TYR 38 N 0.39 2.35 -1.56 9.60 6.14 0.10 -0.77 117.35 133.61 1s6n s TYR 38 Ca -0.12 -0.07 0.28 0.00 0.64 0.00 0.00 57.07 57.80 1s6n s TYR 38 Cb -0.16 -4.58 1.48 0.00 0.42 0.00 0.00 41.96 39.12 1s6n s TYR 38 CO 0.06 -2.00 1.99 0.25 0.64 0.00 0.00 175.55 176.49 1s6n n THR 39 N 6.35 0.07 -4.07 4.34 -2.24 0.14 -4.40 114.28 114.47 1s6n n THR 39 Ca 0.03 0.02 -0.24 0.00 -2.27 0.00 0.00 64.05 61.58 1s6n n THR 39 Cb 0.49 -0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 68.09 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 -2.44 2.26 0.00 3.38 0.00 -1.23 -4.99 107.32 104.30 1s6n s GLY 40 Ca 0.30 -2.05 0.16 0.00 0.00 0.00 0.00 44.72 43.13 1s6n s GLY 40 CO 0.41 -1.87 1.03 -1.30 0.00 0.00 0.00 173.10 171.37 1s6n n THR 41 N -1.25 0.09 -4.17 0.90 -2.24 -1.26 -4.58 114.28 101.76 1s6n n THR 41 Ca -0.01 -0.54 -0.11 0.00 -2.27 0.00 0.00 64.05 61.12 1s6n n THR 41 Cb 0.64 1.26 -0.04 0.00 -2.10 0.00 0.00 70.33 70.09 1s6n n THR 41 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1s6n n ASP 42 N 0.89 -0.13 0.00 3.42 5.75 -1.26 -4.78 116.55 120.44 1s6n n ASP 42 Ca 0.10 -2.14 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 1s6n n ASP 42 Cb 0.40 0.82 0.00 0.00 -1.03 0.00 0.00 41.12 41.31 1s6n n ASP 42 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s6n n GLY 43 N -0.17 0.73 3.53 6.12 0.00 -1.26 -4.85 105.19 109.29 1s6n n GLY 43 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 0.90 -3.91 1.61 -0.02 -1.26 -4.81 135.00 127.51 1s6n n PRO 44 Ca 0.00 0.07 -0.08 0.00 -2.02 0.00 0.00 63.50 61.47 1s6n n PRO 44 Cb 0.00 -2.91 -0.03 0.00 -0.02 0.00 0.00 33.50 30.54 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 -3.76 3.05 0.14 0.00 2.36 -0.24 0.04 119.74 121.33 1s6n s LYS 46 Ca 0.16 -1.28 -0.31 0.00 -2.55 0.00 0.00 55.97 51.99 1s6n s LYS 46 Cb -0.04 -4.27 -0.11 0.00 -1.05 0.00 0.00 37.83 32.37 1s6n s LYS 46 CO 0.09 -1.57 1.80 0.54 1.55 0.00 0.00 175.35 177.76 1s6n s VAL 47 N 2.82 2.41 -0.67 4.02 0.11 -1.04 -1.07 120.40 126.99 1s6n s VAL 47 Ca 0.12 0.04 -0.25 0.00 -2.93 0.00 0.00 61.98 58.96 1s6n s VAL 47 Cb -0.23 -3.03 0.04 0.00 -1.53 0.00 0.00 36.38 31.63 1s6n s VAL 47 CO 0.07 0.00 1.12 -2.16 -3.33 0.00 0.00 175.10 170.80 1s6n s PRO 48 N 2.36 3.23 0.03 1.54 0.04 -1.26 -4.64 135.00 136.30 1s6n s PRO 48 Ca 0.79 -0.36 0.03 0.00 0.04 0.00 0.00 61.00 61.51 1s6n s PRO 48 Cb -0.47 -4.15 -0.02 0.00 0.04 0.00 0.00 34.50 29.90 1s6n s PRO 48 CO 0.35 -1.89 -0.10 -1.50 0.04 0.00 0.00 177.00 173.90 1s6n s ILE 49 N 4.87 0.76 0.11 0.56 2.07 -1.26 -1.03 121.20 127.28 1s6n s ILE 49 Ca 0.31 -0.90 -0.11 0.00 -1.41 0.00 0.00 60.65 58.55 1s6n s ILE 49 Cb -0.11 -0.74 0.01 0.00 0.13 0.00 0.00 42.46 41.75 1s6n s ILE 49 CO 0.15 -0.14 0.26 -0.55 -1.91 0.00 0.00 174.94 172.75 1s6n s SER 50 N -1.15 0.02 -0.09 4.50 0.15 -0.11 -4.99 113.70 112.03 1s6n s SER 50 Ca -0.03 -0.59 -0.03 0.00 0.70 0.00 0.00 55.95 56.00 1s6n s SER 50 Cb -0.08 0.39 0.04 0.00 -1.71 0.00 0.00 66.02 64.66 1s6n s SER 50 CO 0.01 -0.78 0.05 -0.55 1.20 0.00 0.00 173.24 173.16 1s6n s SER 51 N -2.86 1.72 0.18 5.45 0.15 -1.26 -2.32 113.70 114.75 1s6n s SER 51 Ca 0.06 -0.22 0.02 0.00 0.70 0.00 0.00 55.95 56.51 1s6n s SER 51 Cb 0.04 -0.29 -0.05 0.00 -1.71 0.00 0.00 66.02 64.01 1s6n s SER 51 CO -0.10 -0.26 0.00 0.68 1.20 0.00 0.00 173.24 174.76 1s6n s VAL 52 N 2.08 0.70 -0.98 4.45 -7.23 -0.16 -0.81 120.40 118.43 1s6n s VAL 52 Ca 0.04 -1.98 0.23 0.00 -1.81 0.00 0.00 61.98 58.45 1s6n s VAL 52 Cb -0.13 -2.14 -0.14 0.00 0.56 0.00 0.00 36.38 34.52 1s6n s VAL 52 CO -0.05 -0.46 1.09 0.00 -0.31 0.00 0.00 175.10 175.37 1s6n n ALA 53 N -0.26 4.27 -2.38 1.32 0.00 -1.26 -0.13 120.51 122.07 1s6n n ALA 53 Ca -0.06 -0.50 -0.03 0.00 0.00 0.00 0.00 53.44 52.85 1s6n n ALA 53 Cb 0.63 -0.90 0.02 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.52 -0.57 -0.22 0.00 7.64 -1.26 -4.22 113.62 113.48 1s6n n SER 54 Ca 0.04 -2.07 -0.03 0.00 1.01 0.00 0.00 58.87 57.82 1s6n n SER 54 Cb 0.34 0.25 -0.01 0.00 -1.01 0.00 0.00 64.21 63.77 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 -0.49 0.61 -2.37 -3.43 0.00 -1.26 -4.88 117.00 105.17 1s6n n LEU 55 Ca -0.16 0.07 -0.08 0.00 0.00 0.00 0.00 56.01 55.84 1s6n n LEU 55 Cb 0.84 -2.43 -0.07 0.00 0.00 0.00 0.00 43.42 41.75 1s6n n LEU 55 CO -0.11 -0.95 1.20 -0.46 0.00 0.00 0.00 177.39 177.07 1s6n n ASN 56 N -0.82 2.81 0.22 1.96 6.94 -1.26 -4.75 115.26 120.35 1s6n n ASN 56 Ca -0.03 -2.02 0.14 0.00 -0.02 0.00 0.00 54.58 52.65 1s6n n ASN 56 Cb 0.49 -0.74 0.75 0.00 -2.36 0.00 0.00 39.78 37.92 1s6n n ASN 56 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1s6n h ASP 57 N 4.79 0.00 0.00 0.53 3.58 -1.98 -1.99 116.42 121.36 1s6n h ASP 57 Ca 0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1s6n h ASP 57 Cb 0.67 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1s6n h ASP 57 CO 0.50 0.00 0.04 0.00 -2.88 0.00 0.00 179.24 176.90 1s6n n LEU 58 N -2.48 0.00 -3.25 2.28 -0.00 -1.26 -4.15 117.00 108.13 1s6n n LEU 58 Ca -0.02 0.40 -0.04 0.00 -0.00 0.00 0.00 56.01 56.36 1s6n n LEU 58 Cb 0.08 -0.40 -0.04 0.00 -0.00 0.00 0.00 43.42 43.05 1s6n n LEU 58 CO 0.12 -0.40 0.02 -0.89 -0.00 0.00 0.00 177.39 176.23 1s6n s THR 59 N -2.80 -0.78 -0.38 1.47 2.01 -0.75 -5.13 115.64 109.28 1s6n s THR 59 Ca 0.00 -0.12 -0.41 0.00 0.31 0.00 0.00 61.69 61.47 1s6n s THR 59 Cb 0.00 -0.95 -0.16 0.00 0.01 0.00 0.00 72.50 71.40 1s6n s THR 59 CO 0.00 -0.13 1.90 -2.65 -0.69 0.00 0.00 174.62 173.05 1s6n n PRO 60 N 5.39 0.68 -0.01 4.92 -0.02 -1.26 -4.88 135.00 139.82 1s6n n PRO 60 Ca 0.00 0.23 0.06 0.00 -2.02 0.00 0.00 63.50 61.77 1s6n n PRO 60 Cb 0.51 -1.94 -0.14 0.00 -0.02 0.00 0.00 33.50 31.91 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 5.47 0.45 -3.16 -1.45 0.31 -0.24 -4.71 118.33 114.99 1s6n n VAL 61 Ca 0.37 -0.59 -0.02 0.00 -0.01 0.00 0.00 64.34 64.08 1s6n n VAL 61 Cb 0.08 -0.20 0.01 0.00 -0.91 0.00 0.00 33.84 32.81 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 1.35 2.26 3.48 2.92 0.00 0.01 -0.31 105.19 114.89 1s6n n GLY 62 Ca -0.09 -2.15 -0.24 0.00 0.00 0.00 0.00 46.02 43.53 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 -2.29 1.85 -0.39 1.61 3.03 -1.14 -4.42 118.95 117.20 1s6n s ARG 63 Ca 0.06 -2.11 -0.09 0.00 2.03 0.00 0.00 55.73 55.62 1s6n s ARG 63 Cb -0.00 -0.53 0.06 0.00 -1.03 0.00 0.00 34.95 33.44 1s6n s ARG 63 CO 0.04 -0.45 0.21 -0.51 -1.13 0.00 0.00 175.30 173.46 1s6n s LEU 64 N -3.56 4.89 -0.05 -1.89 1.02 -1.26 -0.34 118.68 117.50 1s6n s LEU 64 Ca 0.27 -1.35 -0.23 0.00 0.02 0.00 0.00 54.13 52.85 1s6n s LEU 64 Cb 0.03 -1.96 -0.28 0.00 0.02 0.00 0.00 46.19 44.00 1s6n s LEU 64 CO 0.15 -0.46 0.95 0.58 0.02 0.00 0.00 176.35 177.59 1s6n h VAL 65 N 6.07 1.53 -0.33 -1.59 2.07 -1.13 -3.37 116.25 119.50 1s6n h VAL 65 Ca -0.23 -2.32 -0.14 0.00 0.82 0.00 0.00 66.70 64.83 1s6n h VAL 65 Cb 1.09 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.87 1s6n h VAL 65 CO 0.70 0.65 -0.33 0.74 0.02 0.00 0.00 177.57 179.35 1s6n h THR 66 N -0.40 1.29 -2.38 2.57 2.02 -1.82 -3.48 112.91 110.70 1s6n h THR 66 Ca -0.09 -1.50 -0.08 0.00 0.77 0.00 0.00 66.41 65.50 1s6n h THR 66 Cb 1.40 1.49 -0.19 0.00 -1.74 0.00 0.00 68.15 69.10 1s6n h THR 66 CO 0.11 0.49 0.02 0.54 0.37 0.00 0.00 175.52 177.05 1s6n s VAL 67 N -4.38 0.02 0.01 3.16 0.11 -1.26 -5.03 120.40 113.04 1s6n s VAL 67 Ca -0.12 -0.18 -0.30 0.00 -2.93 0.00 0.00 61.98 58.46 1s6n s VAL 67 Cb 0.10 -0.86 -0.08 0.00 -1.53 0.00 0.00 36.38 34.01 1s6n s VAL 67 CO 0.85 -0.10 1.90 0.21 -3.33 0.00 0.00 175.10 174.64 1s6n s ASN 68 N -1.24 6.47 -0.91 3.54 2.47 -1.26 -4.85 114.94 119.16 1s6n s ASN 68 Ca -0.12 2.55 -0.24 0.00 0.42 0.00 0.00 52.86 55.47 1s6n s ASN 68 Cb -0.02 -2.53 -0.03 0.00 -1.45 0.00 0.00 41.25 37.22 1s6n s ASN 68 CO 0.08 -1.05 1.87 -2.16 -3.72 0.00 0.00 177.10 172.12 1s6n s PRO 69 N 4.42 2.71 -0.13 0.43 0.04 -1.26 -4.89 135.00 136.32 1s6n s PRO 69 Ca 0.85 -0.40 -0.06 0.00 0.04 0.00 0.00 61.00 61.44 1s6n s PRO 69 Cb -0.40 -5.09 0.06 0.00 0.04 0.00 0.00 34.50 29.10 1s6n s PRO 69 CO 0.39 -3.19 0.28 0.12 0.04 0.00 0.00 177.00 174.64 1s6n s PHE 70 N 9.28 -0.42 -0.96 0.56 5.36 -1.26 -3.44 117.98 127.10 1s6n s PHE 70 Ca 0.66 0.95 -0.18 0.00 -0.96 0.00 0.00 56.93 57.40 1s6n s PHE 70 Cb -0.06 0.06 0.13 0.00 -0.34 0.00 0.00 43.02 42.82 1s6n s PHE 70 CO -0.02 -0.30 1.17 0.08 -1.46 0.00 0.00 175.22 174.69 1s6n s VAL 71 N 1.72 4.74 -1.11 3.12 1.01 0.11 -4.86 120.40 125.14 1s6n s VAL 71 Ca -0.06 -1.68 0.16 0.00 0.00 0.00 0.00 61.98 60.40 1s6n s VAL 71 Cb -0.11 -4.80 0.16 0.00 0.00 0.00 0.00 36.38 31.64 1s6n s VAL 71 CO -0.09 -1.53 1.49 -0.24 0.00 0.00 0.00 175.10 174.72 1s6n n SER 72 N 6.50 0.00 -3.59 3.32 2.88 -1.26 -1.19 113.62 120.27 1s6n n SER 72 Ca 0.26 0.39 -0.13 0.00 -1.33 0.00 0.00 58.87 58.05 1s6n n SER 72 Cb 0.48 -0.45 -0.05 0.00 -0.75 0.00 0.00 64.21 63.44 1s6n n SER 72 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1s6n s VAL 73 N -2.89 0.04 0.05 2.46 -7.23 -1.26 -4.93 120.40 106.63 1s6n s VAL 73 Ca 0.09 -0.30 0.33 0.00 -1.81 0.00 0.00 61.98 60.29 1s6n s VAL 73 Cb 0.10 -0.99 0.38 0.00 0.56 0.00 0.00 36.38 36.44 1s6n s VAL 73 CO 0.27 -0.17 1.96 0.00 -0.31 0.00 0.00 175.10 176.85 1s6n h ALA 74 N 2.76 1.00 0.00 1.32 0.00 -1.88 -3.09 119.26 119.37 1s6n h ALA 74 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1s6n h ALA 74 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1s6n h ALA 74 CO 0.42 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.92 1s6n n THR 75 N -3.04 0.00 0.75 0.00 -2.24 -1.26 -4.29 114.28 104.20 1s6n n THR 75 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1s6n n THR 75 Cb 0.31 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 -0.51 1.87 0.30 6.98 0.00 -1.17 -4.60 120.51 123.39 1s6n n ALA 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1s6n n ALA 76 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.48 0.47 -4.90 0.00 4.13 -1.26 -4.62 115.26 108.60 1s6n n ASN 77 Ca 0.00 -0.60 -0.29 0.00 1.68 0.00 0.00 54.58 55.37 1s6n n ASN 77 Cb 0.00 -0.15 0.05 0.00 -1.54 0.00 0.00 39.78 38.14 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 -0.52 3.00 -0.42 5.41 0.00 -1.26 -4.60 121.76 123.38 1s6n s ALA 78 Ca 0.00 -0.53 -0.15 0.00 0.00 0.00 0.00 51.96 51.28 1s6n s ALA 78 Cb 0.00 -2.86 0.03 0.00 0.00 0.00 0.00 23.12 20.29 1s6n s ALA 78 CO 0.00 -1.13 0.31 0.21 0.00 0.00 0.00 175.76 175.15 1s6n s LYS 79 N -5.28 2.95 -0.09 0.00 2.36 -1.26 -0.72 119.74 117.71 1s6n s LYS 79 Ca 0.58 -1.09 -0.00 0.00 -2.55 0.00 0.00 55.97 52.90 1s6n s LYS 79 Cb -0.11 -3.98 0.02 0.00 -1.05 0.00 0.00 37.83 32.71 1s6n s LYS 79 CO 0.49 -0.80 -0.05 0.54 1.55 0.00 0.00 175.35 177.08 1s6n s VAL 80 N 1.66 0.73 -0.17 4.02 0.11 0.48 -4.99 120.40 122.23 1s6n s VAL 80 Ca 0.05 -0.12 -0.16 0.00 -2.93 0.00 0.00 61.98 58.81 1s6n s VAL 80 Cb -0.20 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 1s6n s VAL 80 CO 0.09 0.31 0.37 -0.22 -3.33 0.00 0.00 175.10 172.32 1s6n s LEU 81 N 1.64 4.21 -0.05 2.54 1.98 -1.26 -1.50 118.68 126.24 1s6n s LEU 81 Ca 0.02 0.57 0.01 0.00 -2.89 0.00 0.00 54.13 51.84 1s6n s LEU 81 Cb -0.13 -2.49 0.02 0.00 0.66 0.00 0.00 46.19 44.25 1s6n s LEU 81 CO -0.05 0.01 -0.07 -0.63 -1.89 0.00 0.00 176.35 173.72 1s6n s ILE 82 N 0.85 0.71 0.14 6.68 1.01 0.73 -4.98 121.20 126.33 1s6n s ILE 82 Ca 0.19 -0.23 -0.25 0.00 0.00 0.00 0.00 60.65 60.36 1s6n s ILE 82 Cb -0.14 -0.71 -0.07 0.00 0.01 0.00 0.00 42.46 41.55 1s6n s ILE 82 CO 0.07 0.26 0.78 -1.61 0.00 0.00 0.00 174.94 174.45 1s6n s GLU 83 N 0.86 4.56 0.23 2.79 2.02 -1.26 -0.48 118.70 127.42 1s6n s GLU 83 Ca -0.12 1.15 0.11 0.00 0.02 0.00 0.00 54.97 56.14 1s6n s GLU 83 Cb -0.15 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.75 1s6n s GLU 83 CO 0.01 0.49 -0.21 -0.51 0.02 0.00 0.00 175.26 175.06 1s6n s LEU 84 N -0.85 2.52 -0.42 1.80 1.02 -0.04 -0.53 118.68 122.17 1s6n s LEU 84 Ca 0.37 -0.96 -0.17 0.00 0.02 0.00 0.00 54.13 53.39 1s6n s LEU 84 Cb -0.23 -1.07 0.02 0.00 0.02 0.00 0.00 46.19 44.94 1s6n s LEU 84 CO 0.26 0.05 0.40 -0.70 0.02 0.00 0.00 176.35 176.37 1s6n s GLU 85 N -3.17 3.05 -0.32 1.70 2.12 0.54 -0.41 118.70 122.21 1s6n s GLU 85 Ca 0.25 -0.86 -0.18 0.00 0.36 0.00 0.00 54.97 54.53 1s6n s GLU 85 Cb -0.06 -3.98 -0.01 0.00 0.26 0.00 0.00 34.13 30.34 1s6n s GLU 85 CO 0.12 -0.84 0.52 -1.25 -0.54 0.00 0.00 175.26 173.27 1s6n s PRO 86 N 2.00 3.78 0.90 4.30 0.04 -1.26 -3.24 135.00 141.52 1s6n s PRO 86 Ca 0.10 0.02 -0.16 0.00 0.04 0.00 0.00 61.00 61.00 1s6n s PRO 86 Cb -0.18 -3.75 -0.09 0.00 0.04 0.00 0.00 34.50 30.52 1s6n s PRO 86 CO 0.12 -0.55 -0.26 -2.30 0.04 0.00 0.00 177.00 174.06 1s6n n PRO 87 N 5.70 -0.04 -1.60 0.56 -0.02 -1.26 -4.89 135.00 133.45 1s6n n PRO 87 Ca -0.04 0.01 -0.31 0.00 -2.02 0.00 0.00 63.50 61.14 1s6n n PRO 87 Cb 0.49 -1.32 0.06 0.00 -0.02 0.00 0.00 33.50 32.70 1s6n n PRO 87 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1s6n s PHE 88 N -2.09 3.10 0.00 6.00 0.08 -1.26 -4.23 117.98 119.57 1s6n s PHE 88 Ca 0.49 1.34 0.00 0.00 0.12 0.00 0.00 56.93 58.88 1s6n s PHE 88 Cb -0.24 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.28 1s6n s PHE 88 CO 0.74 -1.31 0.00 0.41 -0.10 0.00 0.00 175.22 174.97 1s6n n GLY 89 N -2.10 2.41 3.14 4.36 0.00 0.28 -4.84 105.19 108.43 1s6n n GLY 89 Ca 0.07 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1s6n n GLY 89 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s6n s ASP 90 N -3.62 0.99 0.09 1.61 2.15 -1.26 -0.33 116.67 116.30 1s6n s ASP 90 Ca 0.00 -0.93 -0.24 0.00 0.43 0.00 0.00 52.55 51.81 1s6n s ASP 90 Cb 0.00 0.10 0.06 0.00 -0.30 0.00 0.00 42.92 42.79 1s6n s ASP 90 CO 0.00 -0.45 0.59 -0.44 -0.17 0.00 0.00 175.17 174.70 1s6n s SER 91 N -2.80 -0.54 -0.08 -0.34 0.01 0.33 -4.46 113.70 105.82 1s6n s SER 91 Ca 0.08 0.17 -0.06 0.00 1.31 0.00 0.00 55.95 57.44 1s6n s SER 91 Cb 0.03 0.56 0.03 0.00 0.21 0.00 0.00 66.02 66.85 1s6n s SER 91 CO -0.05 -0.84 0.21 -0.31 0.41 0.00 0.00 173.24 172.67 1s6n s TYR 92 N -2.95 -0.24 -0.22 2.43 1.51 0.81 0.15 117.35 118.84 1s6n s TYR 92 Ca -0.03 0.60 0.02 0.00 -1.01 0.00 0.00 57.07 56.65 1s6n s TYR 92 Cb -0.01 0.06 0.04 0.00 -0.11 0.00 0.00 41.96 41.94 1s6n s TYR 92 CO -0.06 -0.14 -0.15 0.42 -1.11 0.00 0.00 175.55 174.51 1s6n s ILE 93 N 0.48 2.06 -0.03 2.71 -1.09 0.50 -0.99 121.20 124.84 1s6n s ILE 93 Ca -0.03 -1.28 0.04 0.00 -2.23 0.00 0.00 60.65 57.15 1s6n s ILE 93 Cb -0.04 -2.04 -0.03 0.00 -1.58 0.00 0.00 42.46 38.76 1s6n s ILE 93 CO -0.02 0.22 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.09 1s6n s VAL 94 N 1.21 3.15 -0.28 2.92 1.01 -0.98 -0.40 120.40 127.03 1s6n s VAL 94 Ca -0.02 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 1s6n s VAL 94 Cb -0.17 -2.27 0.09 0.00 0.00 0.00 0.00 36.38 34.03 1s6n s VAL 94 CO -0.09 0.53 0.10 -0.69 0.00 0.00 0.00 175.10 174.95 1s6n s VAL 95 N -0.80 0.41 0.00 2.92 1.01 0.34 -0.93 120.40 123.35 1s6n s VAL 95 Ca 0.13 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1s6n s VAL 95 Cb -0.11 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.01 1s6n s VAL 95 CO 0.02 -0.61 0.00 0.61 0.00 0.00 0.00 175.10 175.12 1s6n n GLY 96 N 5.05 1.54 2.86 4.51 0.00 -0.19 -0.22 105.19 118.74 1s6n n GLY 96 Ca -0.05 -1.94 -0.24 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.25 1.08 0.00 1.61 1.70 0.28 -4.75 118.95 117.62 1s6n s ARG 97 Ca 0.00 -0.10 0.00 0.00 -0.47 0.00 0.00 55.73 55.16 1s6n s ARG 97 Cb 0.00 -1.22 0.00 0.00 -0.57 0.00 0.00 34.95 33.16 1s6n s ARG 97 CO 0.00 -0.23 0.00 0.41 -1.08 0.00 0.00 175.30 174.40 1s6n n GLY 98 N 4.80 0.62 0.12 3.88 0.00 -1.26 -0.72 105.19 112.64 1s6n n GLY 98 Ca -0.13 0.81 0.11 0.00 0.00 0.00 0.00 46.02 46.82 1s6n n GLY 98 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1s6n n GLU 99 N 0.00 0.17 -3.62 1.61 0.00 -1.26 -4.50 120.64 113.04 1s6n n GLU 99 Ca 0.00 0.44 -0.29 0.00 0.00 0.00 0.00 57.16 57.31 1s6n n GLU 99 Cb 0.00 -1.85 -0.15 0.00 0.00 0.00 0.00 31.44 29.44 1s6n n GLU 99 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 1s6n s GLN 100 N -3.32 0.49 0.18 3.44 -2.07 0.10 -5.13 119.66 113.35 1s6n s GLN 100 Ca 0.03 -0.89 -0.07 0.00 -1.82 0.00 0.00 55.36 52.61 1s6n s GLN 100 Cb 0.09 -1.57 -0.02 0.00 -1.09 0.00 0.00 33.01 30.42 1s6n s GLN 100 CO 0.35 -1.03 0.25 1.14 -1.32 0.00 0.00 175.29 174.68 1s6n s GLN 101 N 1.73 1.21 0.13 9.60 1.03 -1.26 -0.55 119.66 131.54 1s6n s GLN 101 Ca 0.11 -1.33 -0.02 0.00 0.04 0.00 0.00 55.36 54.15 1s6n s GLN 101 Cb -0.18 0.35 -0.04 0.00 0.03 0.00 0.00 33.01 33.18 1s6n s GLN 101 CO -0.27 -0.43 0.08 0.96 -2.54 0.00 0.00 175.29 173.08 1s6n s ILE 102 N -4.03 0.11 0.17 3.63 -4.36 0.69 -4.98 121.20 112.43 1s6n s ILE 102 Ca 0.24 -1.82 -0.13 0.00 -0.26 0.00 0.00 60.65 58.68 1s6n s ILE 102 Cb 0.04 -1.95 0.01 0.00 1.25 0.00 0.00 42.46 41.81 1s6n s ILE 102 CO 0.05 -0.50 0.38 0.54 0.24 0.00 0.00 174.94 175.64 1s6n s ASN 103 N -3.02 -0.08 -0.05 4.36 2.20 -1.26 -0.51 114.94 116.57 1s6n s ASN 103 Ca 0.21 -0.68 -0.04 0.00 -0.94 0.00 0.00 52.86 51.41 1s6n s ASN 103 Cb 0.07 0.49 0.02 0.00 -2.00 0.00 0.00 41.25 39.83 1s6n s ASN 103 CO 0.00 -0.95 0.14 -2.28 -2.94 0.00 0.00 177.10 171.07 1s6n s HIS 104 N -3.92 -0.15 0.64 1.54 2.46 0.46 -5.00 115.29 111.33 1s6n s HIS 104 Ca 0.13 0.39 -0.10 0.00 0.47 0.00 0.00 55.06 55.95 1s6n s HIS 104 Cb 0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 32.58 32.46 1s6n s HIS 104 CO -0.02 -0.10 1.02 -3.38 -2.47 0.00 0.00 174.74 169.79 1s6n s HIS 105 N 0.45 3.44 0.00 3.88 -3.43 -1.26 -0.37 115.29 118.01 1s6n s HIS 105 Ca -0.03 1.07 -0.10 0.00 -0.80 0.00 0.00 55.06 55.19 1s6n s HIS 105 Cb -0.05 -2.84 0.01 0.00 -1.43 0.00 0.00 32.58 28.27 1s6n s HIS 105 CO -0.02 -0.89 0.21 -1.58 -2.00 0.00 0.00 174.74 170.46 1s6n s TRP 106 N -3.20 -0.04 -0.12 0.38 0.52 0.12 -4.89 118.94 111.72 1s6n s TRP 106 Ca 0.56 -0.01 -0.04 0.00 0.02 0.00 0.00 56.10 56.63 1s6n s TRP 106 Cb -0.11 0.01 0.05 0.00 -1.15 0.00 0.00 33.47 32.27 1s6n s TRP 106 CO 0.51 -0.34 0.08 -1.01 0.02 0.00 0.00 176.95 176.20 1s6n s HIS 107 N -1.53 0.15 -0.45 -1.98 3.76 -1.26 -0.51 115.29 113.47 1s6n s HIS 107 Ca -0.13 -0.09 0.05 0.00 -0.15 0.00 0.00 55.06 54.74 1s6n s HIS 107 Cb -0.06 -0.61 0.18 0.00 1.11 0.00 0.00 32.58 33.19 1s6n s HIS 107 CO 0.02 -0.38 0.51 -1.59 -0.85 0.00 0.00 174.74 172.45 1s6n s LYS 108 N 2.15 0.94 -0.39 1.40 -2.85 0.55 -4.97 119.74 116.57 1s6n s LYS 108 Ca 0.03 -1.46 -0.01 0.00 -1.00 0.00 0.00 55.97 53.54 1s6n s LYS 108 Cb -0.14 -0.71 0.00 0.00 -2.06 0.00 0.00 37.83 34.92 1s6n s LYS 108 CO -0.07 -1.33 0.38 0.45 0.10 0.00 0.00 175.35 174.88 1s6n n SER 109 N 3.12 -5.16 0.00 0.03 2.88 -0.67 -0.56 113.62 113.26 1s6n n SER 109 Ca 0.22 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1s6n n SER 109 Cb 0.51 -3.35 0.00 0.00 -0.75 0.00 0.00 64.21 60.63 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 -1.34 1.44 3.75 0.46 0.00 0.12 -3.38 105.19 106.24 1s6n n GLY 110 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.44 4.88 0.00 1.61 0.15 0.81 -4.40 113.70 115.32 1s6n s SER 111 Ca 0.00 2.33 0.02 0.00 0.70 0.00 0.00 55.95 59.00 1s6n s SER 111 Cb 0.00 -2.59 0.11 0.00 -1.71 0.00 0.00 66.02 61.83 1s6n s SER 111 CO 0.00 -1.80 1.01 -0.24 1.20 0.00 0.00 173.24 173.41 1s6n n SER 112 N -2.04 0.00 -0.43 5.45 2.88 -1.26 -1.03 113.62 117.19 1s6n n SER 112 Ca 0.13 0.41 0.09 0.00 -1.33 0.00 0.00 58.87 58.17 1s6n n SER 112 Cb 0.50 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 1s6n n SER 112 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1s6n n ILE 113 N -1.42 0.00 -0.15 2.46 2.08 -1.26 -5.02 119.36 116.05 1s6n n ILE 113 Ca 0.01 -0.33 0.00 0.00 0.56 0.00 0.00 62.75 62.99 1s6n n ILE 113 Cb 0.02 1.22 0.00 0.00 -0.75 0.00 0.00 39.64 40.14 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 1.21 0.74 0.00 7.39 0.00 -0.19 -5.18 105.19 109.15 1s6n n GLY 114 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1s6n n GLY 114 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90