#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 -0.10 0.32 4.38 0.15 -1.24 -3.51 113.70 113.71 1s6n s SER 2 Ca 0.00 0.21 0.05 0.00 0.70 0.00 0.00 55.95 56.91 1s6n s SER 2 Cb 0.00 0.18 -0.06 0.00 -1.71 0.00 0.00 66.02 64.43 1s6n s SER 2 CO 0.00 -0.07 0.02 -1.83 1.20 0.00 0.00 173.24 172.57 1s6n s GLU 3 N 0.36 1.64 -0.13 5.44 1.03 -1.26 -5.07 118.70 120.71 1s6n s GLU 3 Ca -0.03 -1.89 -0.09 0.00 0.03 0.00 0.00 54.97 53.00 1s6n s GLU 3 Cb -0.04 -1.00 -0.07 0.00 -0.80 0.00 0.00 34.13 32.23 1s6n s GLU 3 CO -0.01 -0.11 0.09 0.35 -1.33 0.00 0.00 175.26 174.24 1s6n h PHE 4 N 2.14 0.00 -0.16 4.83 3.57 -2.00 -3.39 116.94 121.93 1s6n h PHE 4 Ca -0.41 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.14 1s6n h PHE 4 Cb 1.24 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1s6n h PHE 4 CO 0.62 0.29 0.12 -0.56 -2.23 0.00 0.00 178.31 176.54 1s6n h GLN 5 N -1.00 0.00 -0.33 1.11 -0.00 -1.99 0.10 115.11 113.00 1s6n h GLN 5 Ca -0.03 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.44 1s6n h GLN 5 Cb 0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.89 1s6n h GLN 5 CO -0.02 0.00 -0.49 1.25 -0.00 0.00 0.00 178.83 179.57 1s6n h LEU 6 N 0.00 1.00 -0.30 0.06 5.85 -1.97 -2.99 115.31 116.95 1s6n h LEU 6 Ca 0.08 -0.51 -0.04 0.00 0.84 0.00 0.00 57.88 58.25 1s6n h LEU 6 Cb 0.31 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1s6n h LEU 6 CO -0.00 1.31 0.02 0.11 -0.34 0.00 0.00 178.44 179.54 1s6n h LYS 7 N 0.71 0.52 -5.78 1.25 1.79 -1.34 -3.36 116.57 110.37 1s6n h LYS 7 Ca 0.03 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1s6n h LYS 7 Cb 1.09 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1s6n h LYS 7 CO 0.11 0.64 0.00 0.41 -1.08 0.00 0.00 179.45 179.53 1s6n n GLY 8 N -0.40 0.00 2.81 3.86 0.00 0.21 -4.42 105.19 107.25 1s6n n GLY 8 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 2.44 1.74 0.33 2.61 -2.24 -1.26 -4.65 114.28 113.25 1s6n n THR 9 Ca 0.00 -1.12 0.15 0.00 -2.27 0.00 0.00 64.05 60.81 1s6n n THR 9 Cb 0.00 -2.03 0.61 0.00 -2.10 0.00 0.00 70.33 66.81 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 3.79 0.00 -2.91 4.28 1.35 -1.95 -3.47 112.91 114.00 1s6n h THR 10 Ca 0.37 -0.41 -0.03 0.00 -0.55 0.00 0.00 66.41 65.80 1s6n h THR 10 Cb 0.24 1.31 0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1s6n h THR 10 CO 1.47 0.00 0.26 0.00 -0.25 0.00 0.00 175.52 177.00 1s6n n TYR 11 N -2.76 -2.26 -2.90 4.73 9.36 -1.26 -5.07 117.16 117.00 1s6n n TYR 11 Ca 0.01 -1.72 -0.36 0.00 3.32 0.00 0.00 57.90 59.15 1s6n n TYR 11 Cb 0.28 0.86 -0.06 0.00 -0.63 0.00 0.00 39.34 39.78 1s6n n TYR 11 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1s6n s GLY 12 N -2.92 2.71 -0.82 2.98 0.00 -1.26 -4.65 107.32 103.37 1s6n s GLY 12 Ca 0.15 0.39 -0.25 0.00 0.00 0.00 0.00 44.72 45.00 1s6n s GLY 12 CO 0.11 0.79 1.57 0.54 0.00 0.00 0.00 173.10 176.10 1s6n s VAL 13 N -1.62 3.65 0.19 1.40 0.11 -1.26 -0.63 120.40 122.24 1s6n s VAL 13 Ca 0.48 -0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 59.43 1s6n s VAL 13 Cb -0.17 -4.58 -0.04 0.00 -1.53 0.00 0.00 36.38 30.06 1s6n s VAL 13 CO 0.22 -1.52 0.15 0.00 -3.33 0.00 0.00 175.10 170.62 1s6n n SER 15 N -0.26 0.00 0.00 0.00 3.41 -1.26 -3.31 113.62 112.20 1s6n n SER 15 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1s6n n SER 15 Cb 0.65 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 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 -1.72 0.00 -3.30 4.33 4.81 -1.26 -4.61 118.16 116.41 1s6n n LYS 16 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1s6n n LYS 16 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 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 0.55 4.41 -2.44 3.14 0.00 -1.26 -4.97 120.51 119.94 1s6n n ALA 17 Ca 0.00 -4.70 -0.25 0.00 0.00 0.00 0.00 53.44 48.49 1s6n n ALA 17 Cb 0.00 -2.25 -0.11 0.00 0.00 0.00 0.00 19.45 17.09 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 -1.75 2.23 -0.03 0.00 0.40 -1.26 -0.85 117.98 116.72 1s6n s PHE 18 Ca 0.31 -0.36 -0.04 0.00 -0.60 0.00 0.00 56.93 56.23 1s6n s PHE 18 Cb -0.05 -1.04 0.01 0.00 0.51 0.00 0.00 43.02 42.45 1s6n s PHE 18 CO -0.04 0.57 0.10 0.21 0.70 0.00 0.00 175.22 176.77 1s6n s LYS 19 N -3.07 0.20 0.35 0.44 2.20 0.08 -4.79 119.74 115.15 1s6n s LYS 19 Ca 0.24 0.00 -0.29 0.00 -0.36 0.00 0.00 55.97 55.57 1s6n s LYS 19 Cb -0.06 0.09 -0.11 0.00 -1.51 0.00 0.00 37.83 36.24 1s6n s LYS 19 CO 0.12 -0.03 1.52 -0.06 -0.36 0.00 0.00 175.35 176.53 1s6n s PHE 20 N -0.29 2.63 -0.08 4.03 0.08 -1.26 -0.34 117.98 122.75 1s6n s PHE 20 Ca -0.04 1.06 -0.01 0.00 0.12 0.00 0.00 56.93 58.07 1s6n s PHE 20 Cb -0.03 -4.04 -0.05 0.00 -0.57 0.00 0.00 43.02 38.34 1s6n s PHE 20 CO 0.00 -3.16 -0.08 -0.11 -0.10 0.00 0.00 175.22 171.78 1s6n n LEU 21 N 0.91 2.24 -3.69 -0.37 -0.00 0.35 -4.71 117.00 111.73 1s6n n LEU 21 Ca 0.03 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.80 1s6n n LEU 21 Cb 0.39 -0.26 -0.17 0.00 -0.00 0.00 0.00 43.42 43.38 1s6n n LEU 21 CO 0.64 0.49 -0.35 -0.83 -0.00 0.00 0.00 177.39 177.33 1s6n s GLY 22 N -4.86 0.40 0.85 -3.96 0.00 0.15 -4.97 107.32 94.92 1s6n s GLY 22 Ca -0.11 -0.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.33 1s6n s GLY 22 CO 0.17 1.43 1.13 -0.51 0.00 0.00 0.00 173.10 175.32 1s6n s THR 23 N 2.06 2.56 0.32 0.90 -4.23 -1.26 -0.01 115.64 115.98 1s6n s THR 23 Ca 0.03 0.19 -0.29 0.00 -1.18 0.00 0.00 61.69 60.44 1s6n s THR 23 Cb -0.14 -2.42 -0.11 0.00 1.34 0.00 0.00 72.50 71.17 1s6n s THR 23 CO -0.06 -0.23 1.52 -2.16 -0.54 0.00 0.00 174.62 173.15 1s6n s PRO 24 N -4.69 4.15 -0.08 3.99 0.04 -1.26 -4.66 135.00 132.49 1s6n s PRO 24 Ca 0.65 2.52 0.01 0.00 0.04 0.00 0.00 61.00 64.22 1s6n s PRO 24 Cb -0.21 -3.02 0.02 0.00 0.04 0.00 0.00 34.50 31.34 1s6n s PRO 24 CO 0.56 -0.54 -0.07 0.00 0.04 0.00 0.00 177.00 176.99 1s6n s ALA 25 N -0.49 1.07 0.18 8.56 0.00 -0.16 -4.93 121.76 126.01 1s6n s ALA 25 Ca 0.58 -0.34 -0.31 0.00 0.00 0.00 0.00 51.96 51.90 1s6n s ALA 25 Cb -0.46 -0.67 -0.09 0.00 0.00 0.00 0.00 23.12 21.89 1s6n s ALA 25 CO 0.53 -0.17 1.46 0.34 0.00 0.00 0.00 175.76 177.92 1s6n s ASP 26 N 1.24 6.70 0.00 0.00 -1.08 -1.26 -0.85 116.67 121.42 1s6n s ASP 26 Ca -0.05 2.54 0.28 0.00 -0.52 0.00 0.00 52.55 54.80 1s6n s ASP 26 Cb -0.14 -2.60 1.22 0.00 -1.46 0.00 0.00 42.92 39.94 1s6n s ASP 26 CO -0.02 -0.71 1.90 0.35 0.52 0.00 0.00 175.17 177.20 1s6n n THR 27 N 3.31 0.11 -0.16 1.71 -2.24 0.50 -4.91 114.28 112.60 1s6n n THR 27 Ca 0.10 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1s6n n THR 27 Cb 0.40 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 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 1.28 1.17 0.87 3.38 0.00 -1.26 -4.77 105.19 105.87 1s6n n GLY 28 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 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 0.36 0.00 1.61 8.25 -1.26 -4.93 115.22 117.26 1s6n n HIS 29 Ca 0.00 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1s6n n HIS 29 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 1.32 0.76 3.87 -1.41 0.00 -1.26 -5.09 105.19 103.38 1s6n n GLY 30 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.07 2.05 -0.00 2.61 -4.23 -1.26 -4.25 115.64 108.48 1s6n s THR 31 Ca 0.00 -1.47 0.08 0.00 -1.18 0.00 0.00 61.69 59.12 1s6n s THR 31 Cb 0.00 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 1s6n s THR 31 CO 0.00 0.00 -0.26 0.68 -0.54 0.00 0.00 174.62 174.50 1s6n s VAL 32 N -2.66 2.03 -0.18 2.29 -7.23 0.52 -0.37 120.40 114.80 1s6n s VAL 32 Ca 0.40 -1.15 -0.14 0.00 -1.81 0.00 0.00 61.98 59.28 1s6n s VAL 32 Cb -0.02 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.18 1s6n s VAL 32 CO 0.24 0.52 0.28 0.68 -0.31 0.00 0.00 175.10 176.51 1s6n s VAL 33 N -0.64 5.30 -0.02 1.32 -7.23 -0.03 -0.92 120.40 118.18 1s6n s VAL 33 Ca 0.10 0.51 0.01 0.00 -1.81 0.00 0.00 61.98 60.79 1s6n s VAL 33 Cb -0.10 -3.62 0.02 0.00 0.56 0.00 0.00 36.38 33.24 1s6n s VAL 33 CO -0.00 0.37 -0.03 -0.22 -0.31 0.00 0.00 175.10 174.91 1s6n s LEU 34 N 0.64 1.48 -0.08 1.32 0.20 0.31 -0.98 118.68 121.57 1s6n s LEU 34 Ca 0.15 -0.07 0.05 0.00 0.69 0.00 0.00 54.13 54.95 1s6n s LEU 34 Cb -0.13 -0.28 -0.00 0.00 -0.43 0.00 0.00 46.19 45.35 1s6n s LEU 34 CO 0.04 -0.04 -0.23 -0.70 -0.29 0.00 0.00 176.35 175.13 1s6n s GLU 35 N 0.63 2.65 0.34 1.98 2.12 0.99 -0.06 118.70 127.35 1s6n s GLU 35 Ca -0.07 -0.83 0.08 0.00 0.36 0.00 0.00 54.97 54.51 1s6n s GLU 35 Cb -0.10 -2.11 -0.07 0.00 0.26 0.00 0.00 34.13 32.11 1s6n s GLU 35 CO -0.01 0.24 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.39 1s6n s LEU 36 N 0.16 2.67 0.11 2.70 1.43 -0.54 -0.50 118.68 124.71 1s6n s LEU 36 Ca -0.12 -1.24 0.10 0.00 -1.03 0.00 0.00 54.13 51.84 1s6n s LEU 36 Cb -0.16 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 1s6n s LEU 36 CO 0.06 -0.30 -0.26 0.00 0.23 0.00 0.00 176.35 176.08 1s6n s GLN 37 N -3.67 1.43 -0.53 1.70 -2.07 0.54 -0.37 119.66 116.69 1s6n s GLN 37 Ca 0.32 -1.26 -0.16 0.00 -1.82 0.00 0.00 55.36 52.45 1s6n s GLN 37 Cb 0.04 -1.82 0.13 0.00 -1.09 0.00 0.00 33.01 30.27 1s6n s GLN 37 CO 0.16 0.44 0.48 -0.47 -1.32 0.00 0.00 175.29 174.58 1s6n s TYR 38 N -1.02 3.26 -1.63 9.60 6.14 -0.11 -0.74 117.35 132.85 1s6n s TYR 38 Ca 0.12 -1.30 0.00 0.00 0.64 0.00 0.00 57.07 56.54 1s6n s TYR 38 Cb -0.10 -3.74 0.02 0.00 0.42 0.00 0.00 41.96 38.56 1s6n s TYR 38 CO 0.05 -1.00 0.84 0.25 0.64 0.00 0.00 175.55 176.32 1s6n n THR 39 N 5.23 0.04 -4.08 4.34 -2.24 -0.03 -4.53 114.28 113.00 1s6n n THR 39 Ca -0.14 -0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.51 1s6n n THR 39 Cb 0.40 -0.17 -0.07 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.64 1.01 0.00 3.38 0.00 -1.26 -4.97 107.32 104.84 1s6n s GLY 40 Ca 0.01 -1.27 0.21 0.00 0.00 0.00 0.00 44.72 43.68 1s6n s GLY 40 CO 0.01 -0.95 1.45 -1.30 0.00 0.00 0.00 173.10 172.30 1s6n n THR 41 N -0.37 0.53 -4.19 0.90 -2.24 -1.26 -4.57 114.28 103.08 1s6n n THR 41 Ca 0.00 -0.68 -0.14 0.00 -2.27 0.00 0.00 64.05 60.97 1s6n n THR 41 Cb 0.63 0.68 -0.09 0.00 -2.10 0.00 0.00 70.33 69.45 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 -1.36 0.52 0.00 3.42 -4.77 -1.26 -4.73 116.67 108.49 1s6n s ASP 42 Ca 0.38 -1.43 0.00 0.00 -3.30 0.00 0.00 52.55 48.20 1s6n s ASP 42 Cb 0.21 0.46 0.00 0.00 -1.09 0.00 0.00 42.92 42.50 1s6n s ASP 42 CO 0.29 -0.95 0.00 0.61 0.70 0.00 0.00 175.17 175.82 1s6n n GLY 43 N -0.38 0.78 3.54 2.12 0.00 -1.26 -4.84 105.19 105.15 1s6n n GLY 43 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 0.63 -3.92 1.61 -0.02 -1.26 -4.80 135.00 127.25 1s6n n PRO 44 Ca 0.00 -0.28 -0.09 0.00 -2.02 0.00 0.00 63.50 61.11 1s6n n PRO 44 Cb 0.00 -3.01 -0.05 0.00 -0.02 0.00 0.00 33.50 30.42 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 -3.97 3.51 -0.16 0.00 2.36 0.20 -0.27 119.74 121.41 1s6n s LYS 46 Ca 0.17 -1.19 -0.36 0.00 -2.55 0.00 0.00 55.97 52.05 1s6n s LYS 46 Cb -0.01 -5.00 -0.13 0.00 -1.05 0.00 0.00 37.83 31.64 1s6n s LYS 46 CO 0.05 -2.04 1.87 1.55 1.55 0.00 0.00 175.35 178.32 1s6n n VAL 47 N 6.34 0.48 -2.63 4.02 3.14 -1.18 -3.56 118.33 124.95 1s6n n VAL 47 Ca 0.24 -0.10 -0.42 0.00 -2.96 0.00 0.00 64.34 61.10 1s6n n VAL 47 Cb 0.50 -1.68 -0.03 0.00 -1.06 0.00 0.00 33.84 31.57 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 4.10 3.64 0.03 1.45 0.04 -1.26 -4.60 135.00 138.39 1s6n s PRO 48 Ca 0.96 -1.34 0.07 0.00 0.04 0.00 0.00 61.00 60.72 1s6n s PRO 48 Cb -0.81 -5.29 -0.02 0.00 0.04 0.00 0.00 34.50 28.41 1s6n s PRO 48 CO 0.56 -2.13 -0.21 -1.50 0.04 0.00 0.00 177.00 173.76 1s6n s ILE 49 N 4.45 1.65 0.06 0.56 2.07 -1.26 -0.35 121.20 128.38 1s6n s ILE 49 Ca 0.44 -1.12 -0.10 0.00 -1.41 0.00 0.00 60.65 58.47 1s6n s ILE 49 Cb -0.01 -1.42 0.01 0.00 0.13 0.00 0.00 42.46 41.17 1s6n s ILE 49 CO -0.08 0.26 0.22 -0.55 -1.91 0.00 0.00 174.94 172.88 1s6n s SER 50 N -1.01 0.03 -0.21 4.50 0.15 -0.28 -4.96 113.70 111.92 1s6n s SER 50 Ca 0.07 -0.45 -0.02 0.00 0.70 0.00 0.00 55.95 56.25 1s6n s SER 50 Cb -0.09 0.33 0.07 0.00 -1.71 0.00 0.00 66.02 64.62 1s6n s SER 50 CO 0.01 -0.65 0.03 -0.55 1.20 0.00 0.00 173.24 173.29 1s6n s SER 51 N -2.43 3.17 0.30 5.45 0.15 -1.26 -2.13 113.70 116.94 1s6n s SER 51 Ca -0.01 -0.97 0.02 0.00 0.70 0.00 0.00 55.95 55.70 1s6n s SER 51 Cb 0.02 -0.69 -0.05 0.00 -1.71 0.00 0.00 66.02 63.58 1s6n s SER 51 CO -0.07 -0.31 0.09 0.68 1.20 0.00 0.00 173.24 174.82 1s6n s VAL 52 N 1.78 0.80 -0.70 4.45 -7.23 -0.47 -0.62 120.40 118.40 1s6n s VAL 52 Ca -0.00 -2.00 0.20 0.00 -1.81 0.00 0.00 61.98 58.37 1s6n s VAL 52 Cb -0.17 -2.68 -0.24 0.00 0.56 0.00 0.00 36.38 33.85 1s6n s VAL 52 CO -0.10 0.00 0.74 0.00 -0.31 0.00 0.00 175.10 175.43 1s6n n ALA 53 N -0.58 4.13 -2.14 1.32 0.00 -1.26 -0.16 120.51 121.81 1s6n n ALA 53 Ca -0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 53.44 52.86 1s6n n ALA 53 Cb 0.66 -0.72 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 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 -1.66 -0.23 -1.13 0.00 7.64 -1.26 -4.12 113.62 112.85 1s6n n SER 54 Ca 0.02 -1.87 -0.12 0.00 1.01 0.00 0.00 58.87 57.90 1s6n n SER 54 Cb 0.37 0.06 -0.05 0.00 -1.01 0.00 0.00 64.21 63.57 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 0.14 -0.72 -2.47 -3.43 0.00 -1.26 -4.89 117.00 104.37 1s6n n LEU 55 Ca -0.13 0.31 -0.07 0.00 0.00 0.00 0.00 56.01 56.12 1s6n n LEU 55 Cb 0.80 -2.27 -0.06 0.00 0.00 0.00 0.00 43.42 41.89 1s6n n LEU 55 CO -0.08 -0.83 1.19 -0.46 0.00 0.00 0.00 177.39 177.21 1s6n n ASN 56 N -0.67 2.51 0.21 1.96 6.94 -1.26 -4.69 115.26 120.26 1s6n n ASN 56 Ca -0.12 -1.98 0.17 0.00 -0.02 0.00 0.00 54.58 52.62 1s6n n ASN 56 Cb 0.50 -0.67 0.83 0.00 -2.36 0.00 0.00 39.78 38.08 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 5.17 0.00 0.00 0.53 3.58 -1.96 0.84 116.42 124.58 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 0.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1s6n h ASP 57 CO 0.59 0.00 0.15 0.00 -2.88 0.00 0.00 179.24 177.10 1s6n n LEU 58 N -3.82 0.08 -3.28 2.28 -0.00 -1.26 -3.99 117.00 107.01 1s6n n LEU 58 Ca 0.01 0.42 -0.07 0.00 -0.00 0.00 0.00 56.01 56.37 1s6n n LEU 58 Cb 0.31 -0.41 -0.05 0.00 -0.00 0.00 0.00 43.42 43.27 1s6n n LEU 58 CO 0.28 -0.44 -0.04 -0.89 -0.00 0.00 0.00 177.39 176.29 1s6n s THR 59 N -2.86 -0.68 -0.15 1.47 2.01 0.29 -5.14 115.64 110.58 1s6n s THR 59 Ca -0.00 -0.37 -0.34 0.00 0.31 0.00 0.00 61.69 61.28 1s6n s THR 59 Cb 0.01 -0.72 -0.12 0.00 0.01 0.00 0.00 72.50 71.68 1s6n s THR 59 CO 0.03 -0.27 1.93 -2.65 -0.69 0.00 0.00 174.62 172.97 1s6n n PRO 60 N 4.91 1.94 -0.03 4.92 -0.02 -1.26 -4.91 135.00 140.56 1s6n n PRO 60 Ca 0.06 0.68 -0.02 0.00 -2.02 0.00 0.00 63.50 62.21 1s6n n PRO 60 Cb 0.50 -2.62 -0.13 0.00 -0.02 0.00 0.00 33.50 31.24 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 5.55 1.02 -2.91 -1.45 0.31 -1.17 -4.72 118.33 114.95 1s6n n VAL 61 Ca 0.26 -0.71 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1s6n n VAL 61 Cb 0.28 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 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 1.50 4.52 3.24 2.92 0.00 0.21 -0.50 105.19 117.08 1s6n n GLY 62 Ca -0.17 -2.08 -0.14 0.00 0.00 0.00 0.00 46.02 43.62 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 0.52 1.37 -0.51 1.61 3.03 -1.18 -4.43 118.95 119.35 1s6n s ARG 63 Ca 0.00 -1.75 -0.19 0.00 2.03 0.00 0.00 55.73 55.83 1s6n s ARG 63 Cb 0.00 0.21 0.06 0.00 -1.03 0.00 0.00 34.95 34.19 1s6n s ARG 63 CO 0.00 -0.44 0.62 -0.51 -1.13 0.00 0.00 175.30 173.84 1s6n s LEU 64 N -3.23 5.05 -0.01 -1.89 2.01 -1.26 -0.53 118.68 118.81 1s6n s LEU 64 Ca 0.39 -0.99 -0.24 0.00 0.01 0.00 0.00 54.13 53.30 1s6n s LEU 64 Cb 0.06 -2.42 -0.19 0.00 0.01 0.00 0.00 46.19 43.65 1s6n s LEU 64 CO 0.16 -0.90 1.24 0.58 1.01 0.00 0.00 176.35 178.44 1s6n h VAL 65 N 5.86 1.41 -0.21 -1.59 2.07 -1.10 -3.36 116.25 119.34 1s6n h VAL 65 Ca -0.28 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1s6n h VAL 65 Cb 1.10 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 1s6n h VAL 65 CO 0.97 0.36 0.13 0.74 0.02 0.00 0.00 177.57 179.79 1s6n h THR 66 N -0.37 1.04 -2.76 2.57 2.02 -1.78 -3.47 112.91 110.16 1s6n h THR 66 Ca 0.00 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.13 1s6n h THR 66 Cb 0.62 0.75 -0.12 0.00 -1.74 0.00 0.00 68.15 67.67 1s6n h THR 66 CO 0.02 0.05 0.31 0.54 0.37 0.00 0.00 175.52 176.80 1s6n s VAL 67 N -6.18 0.00 0.00 3.16 0.11 -1.26 -5.02 120.40 111.22 1s6n s VAL 67 Ca -0.13 -0.17 -0.32 0.00 -2.93 0.00 0.00 61.98 58.43 1s6n s VAL 67 Cb 0.09 -1.20 -0.10 0.00 -1.53 0.00 0.00 36.38 33.64 1s6n s VAL 67 CO 0.69 0.00 1.92 -3.20 -3.33 0.00 0.00 175.10 171.19 1s6n n ASN 68 N -0.36 3.90 -4.57 3.54 2.85 -1.26 -4.80 115.26 114.56 1s6n n ASN 68 Ca -0.12 0.94 -0.35 0.00 -0.11 0.00 0.00 54.58 54.94 1s6n n ASN 68 Cb 0.63 -1.47 -0.04 0.00 1.24 0.00 0.00 39.78 40.14 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 4.11 3.14 -0.13 1.20 0.04 -1.26 -4.86 135.00 137.25 1s6n s PRO 69 Ca 0.89 -1.12 -0.05 0.00 0.04 0.00 0.00 61.00 60.76 1s6n s PRO 69 Cb -0.53 -5.30 0.06 0.00 0.04 0.00 0.00 34.50 28.77 1s6n s PRO 69 CO 0.45 -2.96 0.27 0.12 0.04 0.00 0.00 177.00 174.92 1s6n s PHE 70 N 7.62 -0.42 -0.70 0.56 5.36 -1.26 -3.10 117.98 126.03 1s6n s PHE 70 Ca 0.60 0.96 -0.23 0.00 -0.96 0.00 0.00 56.93 57.30 1s6n s PHE 70 Cb -0.01 0.03 0.07 0.00 -0.34 0.00 0.00 43.02 42.76 1s6n s PHE 70 CO 0.02 -0.32 1.05 0.08 -1.46 0.00 0.00 175.22 174.59 1s6n s VAL 71 N 1.99 4.23 -1.55 3.12 1.01 0.63 -4.86 120.40 124.97 1s6n s VAL 71 Ca -0.03 -0.31 0.24 0.00 0.00 0.00 0.00 61.98 61.88 1s6n s VAL 71 Cb -0.11 -4.74 0.48 0.00 0.00 0.00 0.00 36.38 32.00 1s6n s VAL 71 CO -0.09 -1.55 1.80 -0.24 0.00 0.00 0.00 175.10 175.02 1s6n n SER 72 N 7.97 0.00 -3.55 3.32 2.88 -1.26 -1.66 113.62 121.32 1s6n n SER 72 Ca 0.00 -0.21 -0.11 0.00 -1.33 0.00 0.00 58.87 57.22 1s6n n SER 72 Cb 0.46 -0.22 -0.04 0.00 -0.75 0.00 0.00 64.21 63.66 1s6n n SER 72 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1s6n s VAL 73 N -2.45 0.04 -0.01 2.46 1.01 -1.26 -4.94 120.40 115.25 1s6n s VAL 73 Ca 0.26 -0.33 0.32 0.00 0.00 0.00 0.00 61.98 62.22 1s6n s VAL 73 Cb 0.16 -1.08 0.36 0.00 0.00 0.00 0.00 36.38 35.82 1s6n s VAL 73 CO 0.35 -0.18 1.94 0.00 0.00 0.00 0.00 175.10 177.20 1s6n h ALA 74 N 2.31 1.00 -0.00 5.51 0.00 -1.89 -3.20 119.26 122.98 1s6n h ALA 74 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1s6n h ALA 74 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1s6n h ALA 74 CO 0.43 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.93 1s6n n THR 75 N -2.87 0.01 0.50 0.00 -2.24 -1.26 -4.09 114.28 104.32 1s6n n THR 75 Ca 0.01 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1s6n n THR 75 Cb 0.27 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 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 -0.83 1.67 0.15 6.98 0.00 -1.21 -4.47 120.51 122.81 1s6n n ALA 76 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1s6n n ALA 76 Cb 0.09 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.14 0.07 -4.48 0.00 4.13 -1.26 -4.62 115.26 108.96 1s6n n ASN 77 Ca 0.00 -0.22 -0.29 0.00 1.68 0.00 0.00 54.58 55.75 1s6n n ASN 77 Cb 0.03 -0.04 0.16 0.00 -1.54 0.00 0.00 39.78 38.40 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 -1.34 1.74 -0.34 5.41 0.00 -1.26 -4.48 121.76 121.49 1s6n s ALA 78 Ca 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 1s6n s ALA 78 Cb 0.00 -2.95 0.06 0.00 0.00 0.00 0.00 23.12 20.23 1s6n s ALA 78 CO 0.00 -2.50 0.08 0.21 0.00 0.00 0.00 175.76 173.55 1s6n s LYS 79 N -5.46 2.42 -0.05 0.00 2.36 -1.26 -0.94 119.74 116.81 1s6n s LYS 79 Ca 0.67 -1.35 -0.02 0.00 -2.55 0.00 0.00 55.97 52.72 1s6n s LYS 79 Cb -0.11 -3.38 0.03 0.00 -1.05 0.00 0.00 37.83 33.32 1s6n s LYS 79 CO 0.53 -0.74 0.04 0.54 1.55 0.00 0.00 175.35 177.28 1s6n s VAL 80 N 1.29 0.07 -0.10 4.02 0.11 0.51 -5.00 120.40 121.30 1s6n s VAL 80 Ca -0.01 0.31 -0.21 0.00 -2.93 0.00 0.00 61.98 59.14 1s6n s VAL 80 Cb -0.20 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1s6n s VAL 80 CO -0.00 0.21 0.60 -0.22 -3.33 0.00 0.00 175.10 172.36 1s6n s LEU 81 N 2.09 4.28 -0.02 2.54 1.98 -1.26 -1.47 118.68 126.82 1s6n s LEU 81 Ca 0.05 0.99 0.03 0.00 -2.89 0.00 0.00 54.13 52.32 1s6n s LEU 81 Cb -0.12 -2.90 -0.00 0.00 0.66 0.00 0.00 46.19 43.83 1s6n s LEU 81 CO -0.04 -0.08 -0.12 -0.63 -1.89 0.00 0.00 176.35 173.59 1s6n s ILE 82 N 0.85 0.96 0.07 6.68 1.01 0.91 -4.97 121.20 126.70 1s6n s ILE 82 Ca 0.32 -0.48 -0.16 0.00 0.00 0.00 0.00 60.65 60.33 1s6n s ILE 82 Cb -0.16 -0.83 -0.06 0.00 0.01 0.00 0.00 42.46 41.41 1s6n s ILE 82 CO 0.14 0.29 0.50 -1.61 0.00 0.00 0.00 174.94 174.26 1s6n s GLU 83 N 0.03 4.03 0.22 2.79 2.02 -1.26 -0.53 118.70 125.99 1s6n s GLU 83 Ca -0.01 0.54 0.09 0.00 0.02 0.00 0.00 54.97 55.61 1s6n s GLU 83 Cb -0.08 -3.14 -0.05 0.00 0.10 0.00 0.00 34.13 30.96 1s6n s GLU 83 CO 0.00 0.61 -0.16 -0.51 0.02 0.00 0.00 175.26 175.22 1s6n s LEU 84 N -1.36 2.56 -0.41 1.80 1.02 -0.10 -0.52 118.68 121.67 1s6n s LEU 84 Ca 0.30 -1.01 -0.11 0.00 0.02 0.00 0.00 54.13 53.33 1s6n s LEU 84 Cb -0.17 -0.81 0.05 0.00 0.02 0.00 0.00 46.19 45.28 1s6n s LEU 84 CO 0.17 -0.10 0.26 -0.70 0.02 0.00 0.00 176.35 176.00 1s6n s GLU 85 N -3.54 2.77 -0.33 1.70 2.12 0.31 -0.35 118.70 121.37 1s6n s GLU 85 Ca 0.24 -1.25 -0.20 0.00 0.36 0.00 0.00 54.97 54.12 1s6n s GLU 85 Cb -0.02 -3.82 -0.00 0.00 0.26 0.00 0.00 34.13 30.55 1s6n s GLU 85 CO 0.09 -0.84 0.62 -1.25 -0.54 0.00 0.00 175.26 173.34 1s6n s PRO 86 N 1.52 3.76 1.05 4.30 0.04 -1.26 -3.09 135.00 141.32 1s6n s PRO 86 Ca 0.03 0.12 -0.21 0.00 0.04 0.00 0.00 61.00 60.98 1s6n s PRO 86 Cb -0.21 -3.78 -0.02 0.00 0.04 0.00 0.00 34.50 30.53 1s6n s PRO 86 CO 0.05 -0.66 -0.49 -2.30 0.04 0.00 0.00 177.00 173.64 1s6n n PRO 87 N 5.94 -0.81 -1.73 0.56 -0.02 -1.26 -4.85 135.00 132.83 1s6n n PRO 87 Ca -0.02 -0.22 -0.31 0.00 -2.02 0.00 0.00 63.50 60.93 1s6n n PRO 87 Cb 0.49 -1.45 0.04 0.00 -0.02 0.00 0.00 33.50 32.56 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 -2.16 3.30 0.00 6.00 0.08 -1.26 -4.42 117.98 119.52 1s6n s PHE 88 Ca 0.49 1.28 0.00 0.00 0.12 0.00 0.00 56.93 58.82 1s6n s PHE 88 Cb -0.07 -2.88 0.00 0.00 -0.57 0.00 0.00 43.02 39.50 1s6n s PHE 88 CO 0.68 -1.09 0.00 0.41 -0.10 0.00 0.00 175.22 175.11 1s6n n GLY 89 N -2.44 2.24 3.37 4.36 0.00 0.50 -4.82 105.19 108.40 1s6n n GLY 89 Ca 0.07 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 2.71 0.12 1.61 1.01 -1.26 -0.40 116.67 116.45 1s6n s ASP 90 Ca 0.00 -1.03 -0.17 0.00 0.71 0.00 0.00 52.55 52.06 1s6n s ASP 90 Cb 0.00 -0.16 0.04 0.00 1.01 0.00 0.00 42.92 43.81 1s6n s ASP 90 CO 0.00 -0.16 0.42 -0.44 0.21 0.00 0.00 175.17 175.20 1s6n s SER 91 N -3.35 -0.27 -0.03 0.27 0.01 0.13 -4.60 113.70 105.87 1s6n s SER 91 Ca 0.24 -0.25 -0.01 0.00 1.31 0.00 0.00 55.95 57.24 1s6n s SER 91 Cb -0.01 0.48 0.03 0.00 0.21 0.00 0.00 66.02 66.73 1s6n s SER 91 CO 0.08 -0.84 0.05 -0.31 0.41 0.00 0.00 173.24 172.64 1s6n s TYR 92 N -3.64 0.00 -0.33 2.43 2.02 0.77 -0.09 117.35 118.52 1s6n s TYR 92 Ca 0.02 0.21 -0.04 0.00 -0.37 0.00 0.00 57.07 56.89 1s6n s TYR 92 Cb 0.01 -0.26 0.05 0.00 -0.40 0.00 0.00 41.96 41.36 1s6n s TYR 92 CO -0.11 -0.12 0.06 0.42 -1.57 0.00 0.00 175.55 174.23 1s6n s ILE 93 N 1.32 3.34 -0.12 2.71 -1.09 0.62 -1.37 121.20 126.60 1s6n s ILE 93 Ca -0.06 -1.35 -0.03 0.00 -2.23 0.00 0.00 60.65 56.97 1s6n s ILE 93 Cb -0.13 -2.95 -0.03 0.00 -1.58 0.00 0.00 42.46 37.77 1s6n s ILE 93 CO -0.03 -0.20 0.01 -0.69 -1.23 0.00 0.00 174.94 172.80 1s6n s VAL 94 N 1.30 4.33 -0.41 2.92 1.01 -0.91 -0.59 120.40 128.06 1s6n s VAL 94 Ca -0.02 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1s6n s VAL 94 Cb -0.20 -2.87 0.13 0.00 0.00 0.00 0.00 36.38 33.44 1s6n s VAL 94 CO 0.00 0.55 0.20 -0.69 0.00 0.00 0.00 175.10 175.17 1s6n s VAL 95 N -0.34 1.36 0.00 2.92 1.01 0.08 -1.12 120.40 124.31 1s6n s VAL 95 Ca 0.07 -2.34 0.00 0.00 0.00 0.00 0.00 61.98 59.71 1s6n s VAL 95 Cb -0.12 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1s6n s VAL 95 CO 0.02 -0.84 0.00 0.61 0.00 0.00 0.00 175.10 174.89 1s6n n GLY 96 N 3.81 2.40 2.80 4.51 0.00 0.53 -0.11 105.19 119.12 1s6n n GLY 96 Ca 0.06 -1.47 -0.27 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.93 0.92 0.96 1.61 1.70 0.20 -4.81 118.95 117.60 1s6n s ARG 97 Ca 0.00 -0.37 0.00 0.00 -0.47 0.00 0.00 55.73 54.89 1s6n s ARG 97 Cb 0.00 -1.88 0.00 0.00 -0.57 0.00 0.00 34.95 32.50 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 5.00 0.99 0.21 3.88 0.00 -1.26 -1.32 105.19 112.69 1s6n n GLY 98 Ca -0.10 0.73 0.15 0.00 0.00 0.00 0.00 46.02 46.80 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 -3.68 1.61 9.09 -2.04 -3.39 114.58 116.16 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 -3.61 0.93 0.18 1.06 -2.07 -0.44 -5.12 119.66 110.60 1s6n s GLN 100 Ca 0.00 -1.35 -0.10 0.00 -1.82 0.00 0.00 55.36 52.09 1s6n s GLN 100 Cb 0.09 -2.26 -0.00 0.00 -1.09 0.00 0.00 33.01 29.75 1s6n s GLN 100 CO 0.39 -1.00 0.33 1.14 -1.32 0.00 0.00 175.29 174.83 1s6n s GLN 101 N 1.31 1.24 0.12 9.60 -2.07 -1.26 -0.63 119.66 127.97 1s6n s GLN 101 Ca 0.11 -1.17 0.00 0.00 -1.82 0.00 0.00 55.36 52.49 1s6n s GLN 101 Cb -0.19 0.40 -0.04 0.00 -1.09 0.00 0.00 33.01 32.10 1s6n s GLN 101 CO -0.19 -0.47 -0.01 0.42 -1.32 0.00 0.00 175.29 173.73 1s6n s ILE 102 N -3.97 0.43 0.08 3.63 1.01 0.84 -4.97 121.20 118.26 1s6n s ILE 102 Ca 0.18 -1.92 -0.15 0.00 0.00 0.00 0.00 60.65 58.76 1s6n s ILE 102 Cb 0.02 -1.87 0.03 0.00 0.01 0.00 0.00 42.46 40.65 1s6n s ILE 102 CO 0.01 -0.68 0.35 0.54 0.00 0.00 0.00 174.94 175.17 1s6n s ASN 103 N -3.06 -0.18 0.03 3.58 6.03 -1.26 -0.74 114.94 119.35 1s6n s ASN 103 Ca 0.18 -0.23 0.00 0.00 -1.03 0.00 0.00 52.86 51.77 1s6n s ASN 103 Cb 0.07 0.41 -0.02 0.00 -3.03 0.00 0.00 41.25 38.67 1s6n s ASN 103 CO -0.02 -0.72 -0.04 -2.28 -2.03 0.00 0.00 177.10 172.02 1s6n s HIS 104 N -3.09 0.36 0.39 1.54 2.46 0.24 -4.99 115.29 112.20 1s6n s HIS 104 Ca -0.01 -0.59 -0.01 0.00 0.47 0.00 0.00 55.06 54.91 1s6n s HIS 104 Cb 0.01 -0.25 -0.03 0.00 -0.13 0.00 0.00 32.58 32.18 1s6n s HIS 104 CO -0.07 -0.20 0.62 -3.38 -2.47 0.00 0.00 174.74 169.25 1s6n s HIS 105 N -1.76 3.48 0.04 3.88 -3.43 -1.26 -0.28 115.29 115.95 1s6n s HIS 105 Ca -0.12 0.45 -0.11 0.00 -0.80 0.00 0.00 55.06 54.48 1s6n s HIS 105 Cb -0.08 -2.05 0.01 0.00 -1.43 0.00 0.00 32.58 29.03 1s6n s HIS 105 CO -0.02 -0.05 0.22 -1.58 -2.00 0.00 0.00 174.74 171.32 1s6n s TRP 106 N -2.46 0.01 -0.11 0.38 0.52 0.87 -4.90 118.94 113.25 1s6n s TRP 106 Ca 0.43 -0.19 -0.04 0.00 0.02 0.00 0.00 56.10 56.33 1s6n s TRP 106 Cb -0.10 0.01 0.05 0.00 -1.15 0.00 0.00 33.47 32.27 1s6n s TRP 106 CO 0.38 -0.44 0.07 -1.01 0.02 0.00 0.00 176.95 175.98 1s6n s HIS 107 N -2.45 0.17 -0.25 -1.98 3.76 -1.26 -0.69 115.29 112.59 1s6n s HIS 107 Ca -0.06 -0.08 -0.02 0.00 -0.15 0.00 0.00 55.06 54.76 1s6n s HIS 107 Cb -0.01 -0.61 0.14 0.00 1.11 0.00 0.00 32.58 33.20 1s6n s HIS 107 CO -0.03 -0.37 0.38 -1.59 -0.85 0.00 0.00 174.74 172.28 1s6n s LYS 108 N 2.14 0.35 -0.75 1.40 -2.85 0.46 -4.90 119.74 115.59 1s6n s LYS 108 Ca 0.03 0.45 -0.02 0.00 -1.00 0.00 0.00 55.97 55.43 1s6n s LYS 108 Cb -0.14 -0.47 0.00 0.00 -2.06 0.00 0.00 37.83 35.16 1s6n s LYS 108 CO -0.06 -0.71 0.66 -1.13 0.10 0.00 0.00 175.35 174.20 1s6n n SER 109 N 5.36 -6.68 0.00 0.03 3.41 -0.63 -0.37 113.62 114.74 1s6n n SER 109 Ca -0.03 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 1s6n n SER 109 Cb 0.50 -3.91 0.00 0.00 -0.26 0.00 0.00 64.21 60.54 1s6n n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6n n GLY 110 N -1.62 1.86 3.61 5.00 0.00 1.00 -3.74 105.19 111.29 1s6n n GLY 110 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1s6n n GLY 110 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s6n n SER 111 N 0.00 0.23 0.07 1.61 2.88 0.75 -4.54 113.62 114.63 1s6n n SER 111 Ca 0.00 0.58 0.21 0.00 -1.33 0.00 0.00 58.87 58.33 1s6n n SER 111 Cb 0.00 -1.41 0.70 0.00 -0.75 0.00 0.00 64.21 62.76 1s6n n SER 111 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1s6n h SER 112 N -0.72 0.00 0.15 -3.46 0.02 -1.89 0.64 113.55 108.29 1s6n h SER 112 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1s6n h SER 112 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1s6n h SER 112 CO 0.44 0.00 -0.29 0.00 -1.14 0.00 0.00 176.83 175.84 1s6n n ILE 113 N -3.56 0.00 -0.24 3.27 0.00 -1.26 -4.99 119.36 112.57 1s6n n ILE 113 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 62.75 62.66 1s6n n ILE 113 Cb 0.73 0.66 0.00 0.00 0.00 0.00 0.00 39.64 41.03 1s6n n ILE 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1s6n n GLY 114 N 1.35 0.77 0.00 4.50 0.00 0.22 -5.16 105.19 106.87 1s6n n GLY 114 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1s6n n GLY 114 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90