#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f11 s VAL 2 N 0.00 2.00 -0.04 3.84 1.01 -1.26 -4.24 120.40 121.71 1f11 s VAL 2 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1f11 s VAL 2 Cb 0.00 -3.00 0.03 0.00 0.00 0.00 0.00 36.38 33.41 1f11 s VAL 2 CO 0.00 0.00 0.05 -1.10 0.00 0.00 0.00 175.10 174.05 1f11 s GLN 3 N -0.20 -0.02 -0.32 2.72 -1.52 -0.36 -4.98 119.66 114.99 1f11 s GLN 3 Ca 0.66 0.32 -0.03 0.00 -1.95 0.00 0.00 55.36 54.35 1f11 s GLN 3 Cb -0.49 -0.49 0.05 0.00 -0.22 0.00 0.00 33.01 31.86 1f11 s GLN 3 CO 0.45 -0.29 0.05 -0.51 -0.25 0.00 0.00 175.29 174.74 1f11 s LEU 4 N 1.92 4.13 -0.37 2.90 1.43 -1.26 -1.75 118.68 125.69 1f11 s LEU 4 Ca 0.02 -1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 51.73 1f11 s LEU 4 Cb -0.12 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.35 1f11 s LEU 4 CO -0.03 -0.30 0.20 -1.10 0.23 0.00 0.00 176.35 175.34 1f11 s GLN 5 N 1.30 2.81 0.25 1.70 -0.21 -0.07 -4.04 119.66 121.39 1f11 s GLN 5 Ca -0.03 -1.09 -0.05 0.00 0.02 0.00 0.00 55.36 54.21 1f11 s GLN 5 Cb -0.20 -3.71 -0.05 0.00 1.00 0.00 0.00 33.01 30.05 1f11 s GLN 5 CO 0.00 -0.70 0.52 -0.65 -2.12 0.00 0.00 175.29 172.34 1f11 s GLN 6 N 1.54 3.64 1.05 2.91 -0.21 -1.26 -0.23 119.66 127.10 1f11 s GLN 6 Ca 0.02 0.00 -0.12 0.00 0.02 0.00 0.00 55.36 55.28 1f11 s GLN 6 Cb -0.19 -2.69 0.22 0.00 1.00 0.00 0.00 33.01 31.35 1f11 s GLN 6 CO 0.06 0.28 1.07 -1.54 -2.12 0.00 0.00 175.29 173.04 1f11 s SER 7 N -2.96 2.00 1.25 5.90 1.04 -0.90 -4.97 113.70 115.06 1f11 s SER 7 Ca 0.44 1.50 -0.16 0.00 0.48 0.00 0.00 55.95 58.20 1f11 s SER 7 Cb -0.11 -2.19 0.25 0.00 0.10 0.00 0.00 66.02 64.06 1f11 s SER 7 CO 0.28 -3.56 0.73 0.61 0.98 0.00 0.00 173.24 172.28 1f11 n GLY 8 N -0.07 -3.17 3.76 7.32 0.00 -1.26 -4.71 105.19 107.06 1f11 n GLY 8 Ca 0.05 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 1f11 n GLY 8 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1f11 s PRO 9 N -4.70 1.52 -0.04 1.61 0.02 -1.26 -4.69 135.00 127.46 1f11 s PRO 9 Ca 0.51 0.64 -0.07 0.00 0.02 0.00 0.00 61.00 62.09 1f11 s PRO 9 Cb -0.06 -1.85 0.01 0.00 0.02 0.00 0.00 34.50 32.61 1f11 s PRO 9 CO 0.40 -2.01 0.17 -1.21 -0.33 0.00 0.00 177.00 174.02 1f11 s GLU 10 N -5.08 0.32 -0.18 5.54 0.41 -0.15 -4.92 118.70 114.64 1f11 s GLU 10 Ca 0.62 0.01 0.01 0.00 -0.41 0.00 0.00 54.97 55.21 1f11 s GLU 10 Cb -0.16 0.14 0.02 0.00 -1.78 0.00 0.00 34.13 32.36 1f11 s GLU 10 CO 0.55 -0.06 -0.19 -1.17 -0.49 0.00 0.00 175.26 173.90 1f11 s LEU 11 N -0.47 2.18 -0.01 1.80 0.20 -1.26 0.11 118.68 121.23 1f11 s LEU 11 Ca -0.06 -0.68 0.07 0.00 0.69 0.00 0.00 54.13 54.15 1f11 s LEU 11 Cb -0.04 -1.47 -0.02 0.00 -0.43 0.00 0.00 46.19 44.24 1f11 s LEU 11 CO 0.01 -0.01 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.15 1f11 s VAL 12 N 1.29 1.67 0.33 1.68 1.01 0.78 -4.95 120.40 122.21 1f11 s VAL 12 Ca 0.04 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 60.82 1f11 s VAL 12 Cb -0.13 -1.39 -0.09 0.00 0.00 0.00 0.00 36.38 34.76 1f11 s VAL 12 CO -0.12 0.46 1.18 -0.54 0.00 0.00 0.00 175.10 176.07 1f11 s LYS 13 N -0.53 4.39 0.31 2.72 1.02 -1.26 -0.07 119.74 126.32 1f11 s LYS 13 Ca 0.08 1.94 -0.29 0.00 0.02 0.00 0.00 55.97 57.71 1f11 s LYS 13 Cb -0.08 -3.00 -0.11 0.00 -0.52 0.00 0.00 37.83 34.12 1f11 s LYS 13 CO -0.01 -0.06 1.49 -1.25 -0.92 0.00 0.00 175.35 174.61 1f11 s PRO 14 N -1.80 4.18 0.00 -1.68 0.04 -1.26 -1.82 135.00 132.66 1f11 s PRO 14 Ca 0.49 2.47 0.00 0.00 0.04 0.00 0.00 61.00 64.00 1f11 s PRO 14 Cb -0.34 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1f11 s PRO 14 CO 0.44 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.39 1f11 n GLY 15 N 1.52 2.92 0.00 0.56 0.00 0.76 -4.96 105.19 106.00 1f11 n GLY 15 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1f11 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f11 n ALA 16 N -0.42 0.00 -2.14 4.61 0.00 -0.75 -4.19 120.51 117.61 1f11 n ALA 16 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1f11 n ALA 16 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1f11 n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1f11 s SER 17 N -1.06 0.50 0.02 0.00 1.04 -1.26 -0.29 113.70 112.64 1f11 s SER 17 Ca 0.00 -1.13 -0.04 0.00 0.48 0.00 0.00 55.95 55.26 1f11 s SER 17 Cb 0.00 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 1f11 s SER 17 CO 0.00 -0.66 0.05 0.54 0.98 0.00 0.00 173.24 174.15 1f11 s VAL 18 N -3.95 0.11 -0.10 5.02 0.11 -0.74 -4.99 120.40 115.86 1f11 s VAL 18 Ca 0.18 -0.87 0.02 0.00 -2.93 0.00 0.00 61.98 58.38 1f11 s VAL 18 Cb 0.07 -0.45 0.02 0.00 -1.53 0.00 0.00 36.38 34.49 1f11 s VAL 18 CO -0.02 -0.48 -0.14 -0.75 -3.33 0.00 0.00 175.10 170.38 1f11 s LYS 19 N -1.65 2.05 0.19 1.54 2.20 -1.26 -0.57 119.74 122.23 1f11 s LYS 19 Ca -0.13 -0.50 0.10 0.00 -0.36 0.00 0.00 55.97 55.07 1f11 s LYS 19 Cb -0.07 -1.77 -0.04 0.00 -1.51 0.00 0.00 37.83 34.43 1f11 s LYS 19 CO -0.01 -0.07 -0.14 0.00 -0.36 0.00 0.00 175.35 174.77 1f11 s MET 20 N 1.02 1.90 0.27 4.03 0.23 0.14 -4.96 119.30 121.92 1f11 s MET 20 Ca -0.06 -1.35 0.12 0.00 -1.03 0.00 0.00 55.69 53.36 1f11 s MET 20 Cb -0.15 -2.06 -0.05 0.00 -1.53 0.00 0.00 34.83 31.04 1f11 s MET 20 CO -0.02 0.42 -0.19 -1.54 -2.03 0.00 0.00 175.02 171.66 1f11 s SER 21 N -2.81 3.64 -0.31 -1.18 1.04 -1.26 -1.14 113.70 111.68 1f11 s SER 21 Ca 0.24 -0.97 -0.02 0.00 0.48 0.00 0.00 55.95 55.68 1f11 s SER 21 Cb -0.08 -0.34 0.12 0.00 0.10 0.00 0.00 66.02 65.82 1f11 s SER 21 CO 0.14 0.05 0.21 0.00 0.98 0.00 0.00 173.24 174.62 1f11 s LYS 23 N 1.90 4.14 0.13 0.00 2.36 0.68 -1.58 119.74 127.37 1f11 s LYS 23 Ca 0.12 1.13 -0.02 0.00 -2.55 0.00 0.00 55.97 54.65 1f11 s LYS 23 Cb -0.17 -3.69 -0.05 0.00 -1.05 0.00 0.00 37.83 32.87 1f11 s LYS 23 CO -0.25 -0.76 0.33 0.00 1.55 0.00 0.00 175.35 176.22 1f11 s ALA 24 N 3.38 3.87 0.25 3.13 0.00 -0.57 -0.90 121.76 130.92 1f11 s ALA 24 Ca 0.43 -0.71 -0.22 0.00 0.00 0.00 0.00 51.96 51.46 1f11 s ALA 24 Cb -0.14 -2.00 0.03 0.00 0.00 0.00 0.00 23.12 21.01 1f11 s ALA 24 CO 0.11 0.65 0.77 -1.54 0.00 0.00 0.00 175.76 175.76 1f11 s SER 25 N -2.65 -0.25 -0.05 0.00 1.04 -0.72 -4.84 113.70 106.24 1f11 s SER 25 Ca 0.39 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1f11 s SER 25 Cb -0.12 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1f11 s SER 25 CO 0.27 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.86 1f11 n GLY 26 N -0.46 0.47 3.62 7.32 0.00 -1.26 -1.22 105.19 113.66 1f11 n GLY 26 Ca -0.05 -0.42 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 1f11 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1f11 s TYR 27 N -1.99 -0.13 -0.80 1.61 -0.85 -1.26 -4.14 117.35 109.81 1f11 s TYR 27 Ca 0.00 -0.01 -0.25 0.00 -0.52 0.00 0.00 57.07 56.29 1f11 s TYR 27 Cb 0.00 0.56 0.00 0.00 0.38 0.00 0.00 41.96 42.90 1f11 s TYR 27 CO 0.00 -0.40 1.65 0.99 -1.52 0.00 0.00 175.55 176.26 1f11 s THR 28 N -2.69 3.58 0.26 -3.49 2.01 -1.26 -4.88 115.64 109.17 1f11 s THR 28 Ca 0.11 -0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.07 1f11 s THR 28 Cb 0.01 -4.44 0.34 0.00 0.01 0.00 0.00 72.50 68.43 1f11 s THR 28 CO -0.04 -1.37 1.28 0.33 -0.69 0.00 0.00 174.62 174.13 1f11 n PHE 29 N 11.39 0.55 0.19 4.92 7.35 -1.26 -0.52 117.46 140.08 1f11 n PHE 29 Ca 0.23 0.99 0.07 0.00 -0.76 0.00 0.00 57.45 57.98 1f11 n PHE 29 Cb 0.50 -1.13 0.28 0.00 0.35 0.00 0.00 39.48 39.48 1f11 n PHE 29 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1f11 h THR 30 N 0.00 0.65 -0.68 -2.13 1.35 -1.92 -3.29 112.91 106.88 1f11 h THR 30 Ca 0.51 -1.51 0.06 0.00 -0.55 0.00 0.00 66.41 64.92 1f11 h THR 30 Cb 1.08 2.02 -0.04 0.00 -1.73 0.00 0.00 68.15 69.48 1f11 h THR 30 CO -0.76 0.31 0.45 0.44 -0.25 0.00 0.00 175.52 175.71 1f11 h ASP 31 N 0.00 0.62 -3.92 5.36 5.19 -1.21 -3.37 116.42 119.09 1f11 h ASP 31 Ca -0.00 0.00 -0.69 0.00 -0.62 0.00 0.00 57.03 55.72 1f11 h ASP 31 Cb 0.99 -0.13 -0.22 0.00 0.18 0.00 0.00 39.33 40.15 1f11 h ASP 31 CO 0.04 0.40 -0.87 -0.31 -3.12 0.00 0.00 179.24 175.39 1f11 s TYR 32 N -5.63 2.33 0.43 4.55 1.51 -1.24 -5.09 117.35 114.20 1f11 s TYR 32 Ca -0.09 -0.37 -0.24 0.00 -1.01 0.00 0.00 57.07 55.35 1f11 s TYR 32 Cb 0.19 -1.27 -0.08 0.00 -0.11 0.00 0.00 41.96 40.70 1f11 s TYR 32 CO 0.77 0.33 1.21 0.71 -1.11 0.00 0.00 175.55 177.45 1f11 s TYR 33 N -1.05 2.91 -0.22 2.71 1.51 -1.26 -4.46 117.35 117.49 1f11 s TYR 33 Ca 0.14 1.51 -0.07 0.00 -1.01 0.00 0.00 57.07 57.64 1f11 s TYR 33 Cb -0.10 -3.47 -0.03 0.00 -0.11 0.00 0.00 41.96 38.24 1f11 s TYR 33 CO 0.06 -1.64 0.06 1.41 -1.11 0.00 0.00 175.55 174.33 1f11 s MET 34 N -2.44 3.79 0.17 -0.62 1.75 -0.44 -4.23 119.30 117.27 1f11 s MET 34 Ca 0.60 -0.42 0.07 0.00 -1.25 0.00 0.00 55.69 54.68 1f11 s MET 34 Cb -0.32 -3.26 -0.04 0.00 2.84 0.00 0.00 34.83 34.04 1f11 s MET 34 CO 0.40 0.02 0.01 0.15 -0.65 0.00 0.00 175.02 174.95 1f11 s LYS 35 N 1.05 2.45 -0.07 4.11 1.02 0.18 -0.51 119.74 127.96 1f11 s LYS 35 Ca 0.04 -1.08 0.02 0.00 0.02 0.00 0.00 55.97 54.96 1f11 s LYS 35 Cb -0.14 -2.38 0.01 0.00 -0.52 0.00 0.00 37.83 34.80 1f11 s LYS 35 CO 0.03 0.46 -0.12 -1.58 -0.92 0.00 0.00 175.35 173.22 1f11 s TRP 36 N -1.73 1.52 0.09 3.18 0.52 -0.32 0.11 118.94 122.31 1f11 s TRP 36 Ca 0.28 -0.60 0.08 0.00 0.02 0.00 0.00 56.10 55.88 1f11 s TRP 36 Cb -0.09 -1.13 -0.03 0.00 -1.15 0.00 0.00 33.47 31.07 1f11 s TRP 36 CO 0.19 -0.32 -0.21 0.08 0.02 0.00 0.00 176.95 176.71 1f11 s VAL 37 N 0.79 1.74 -0.01 4.03 1.01 0.42 0.60 120.40 128.97 1f11 s VAL 37 Ca -0.12 -1.46 0.07 0.00 0.00 0.00 0.00 61.98 60.47 1f11 s VAL 37 Cb -0.15 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1f11 s VAL 37 CO 0.02 0.03 -0.23 -0.75 0.00 0.00 0.00 175.10 174.17 1f11 s LYS 38 N -1.70 1.86 -0.04 2.72 2.20 0.00 0.23 119.74 125.01 1f11 s LYS 38 Ca 0.07 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 54.87 1f11 s LYS 38 Cb -0.10 -1.80 0.01 0.00 -1.51 0.00 0.00 37.83 34.43 1f11 s LYS 38 CO 0.04 0.49 -0.09 -1.14 -0.36 0.00 0.00 175.35 174.29 1f11 s GLN 39 N -0.57 1.05 -0.17 4.03 0.74 0.13 -0.53 119.66 124.34 1f11 s GLN 39 Ca 0.09 -0.28 -0.01 0.00 0.05 0.00 0.00 55.36 55.20 1f11 s GLN 39 Cb -0.09 -0.97 -0.01 0.00 1.10 0.00 0.00 33.01 33.05 1f11 s GLN 39 CO -0.01 0.06 -0.11 -1.54 -0.55 0.00 0.00 175.29 173.14 1f11 s SER 40 N 0.42 3.96 0.00 6.67 1.04 -1.20 -0.50 113.70 124.09 1f11 s SER 40 Ca -0.07 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1f11 s SER 40 Cb -0.11 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 64.37 1f11 s SER 40 CO 0.01 0.06 0.00 1.41 0.98 0.00 0.00 173.24 175.70 1f11 n HIS 41 N 4.23 0.00 0.00 5.02 8.25 -1.26 0.14 115.22 131.59 1f11 n HIS 41 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1f11 n HIS 41 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1f11 n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1f11 n GLY 42 N 0.00 0.00 1.94 -1.41 0.00 -1.26 -4.85 105.19 99.61 1f11 n GLY 42 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1f11 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f11 n LYS 43 N -0.78 -3.59 -3.18 1.61 5.02 0.36 -5.10 118.16 112.50 1f11 n LYS 43 Ca 0.00 2.76 0.05 0.00 -2.02 0.00 0.00 58.31 59.10 1f11 n LYS 43 Cb 0.00 -3.44 -0.03 0.00 -0.02 0.00 0.00 35.03 31.54 1f11 n LYS 43 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1f11 s SER 44 N -0.42 -0.13 0.21 4.39 1.04 -1.26 -4.90 113.70 112.63 1f11 s SER 44 Ca -0.01 0.13 -0.22 0.00 0.48 0.00 0.00 55.95 56.33 1f11 s SER 44 Cb 0.00 1.13 -0.08 0.00 0.10 0.00 0.00 66.02 67.17 1f11 s SER 44 CO 0.02 -0.02 0.76 -0.76 0.98 0.00 0.00 173.24 174.21 1f11 s LEU 45 N 2.53 4.43 -0.01 2.42 1.43 -1.26 -3.25 118.68 124.97 1f11 s LEU 45 Ca -0.04 1.53 0.01 0.00 -1.03 0.00 0.00 54.13 54.60 1f11 s LEU 45 Cb -0.05 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.67 1f11 s LEU 45 CO -0.12 0.09 -0.03 -1.61 0.23 0.00 0.00 176.35 174.91 1f11 s GLU 46 N -1.67 0.31 0.05 1.70 2.02 0.31 -4.99 118.70 116.44 1f11 s GLU 46 Ca 0.41 -0.09 -0.26 0.00 0.02 0.00 0.00 54.97 55.05 1f11 s GLU 46 Cb -0.19 -0.34 -0.06 0.00 0.10 0.00 0.00 34.13 33.65 1f11 s GLU 46 CO 0.23 0.04 0.79 -0.46 0.02 0.00 0.00 175.26 175.87 1f11 s TRP 47 N 0.14 3.75 -0.18 1.61 -0.00 -1.26 -0.82 118.94 122.18 1f11 s TRP 47 Ca -0.01 1.52 -0.15 0.00 -0.00 0.00 0.00 56.10 57.46 1f11 s TRP 47 Cb -0.04 -2.85 -0.07 0.00 -0.00 0.00 0.00 33.47 30.52 1f11 s TRP 47 CO -0.00 0.27 -0.24 -0.89 -0.00 0.00 0.00 176.95 176.08 1f11 n ILE 48 N 2.78 1.48 0.00 5.86 5.41 0.20 -4.65 119.36 130.44 1f11 n ILE 48 Ca -0.02 0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1f11 n ILE 48 Cb 0.50 -2.29 0.00 0.00 -0.71 0.00 0.00 39.64 37.14 1f11 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1f11 n GLY 49 N 1.49 0.76 3.71 7.39 0.00 -1.19 -0.13 105.19 117.22 1f11 n GLY 49 Ca -0.18 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 1f11 n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1f11 s ASP 50 N 0.00 4.40 -0.10 1.61 1.11 0.93 -1.17 116.67 123.45 1f11 s ASP 50 Ca 0.00 -1.01 -0.08 0.00 0.18 0.00 0.00 52.55 51.65 1f11 s ASP 50 Cb 0.00 -0.54 0.03 0.00 1.07 0.00 0.00 42.92 43.48 1f11 s ASP 50 CO 0.00 -0.42 0.25 -0.51 1.18 0.00 0.00 175.17 175.67 1f11 s ILE 51 N -2.55 -0.01 -0.57 0.77 2.07 0.33 -1.25 121.20 119.99 1f11 s ILE 51 Ca 0.39 0.05 -0.21 0.00 -1.41 0.00 0.00 60.65 59.47 1f11 s ILE 51 Cb 0.02 -0.37 0.07 0.00 0.13 0.00 0.00 42.46 42.31 1f11 s ILE 51 CO 0.22 0.02 0.79 0.21 -1.91 0.00 0.00 174.94 174.27 1f11 s ASN 52 N 0.51 6.23 0.36 4.50 3.84 0.22 -1.33 114.94 129.28 1f11 s ASN 52 Ca -0.03 -0.92 0.16 0.00 0.21 0.00 0.00 52.86 52.28 1f11 s ASN 52 Cb -0.05 -2.36 1.07 0.00 -0.55 0.00 0.00 41.25 39.37 1f11 s ASN 52 CO -0.03 -1.15 1.72 1.55 -2.79 0.00 0.00 177.10 176.40 1f11 h PRO 52 N 9.24 0.39 0.23 0.43 0.13 -1.82 0.62 132.00 141.22 1f11 h PRO 52 Ca -0.28 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 1f11 h PRO 52 Cb 1.08 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1f11 h PRO 52 CO 1.07 0.26 -0.24 -0.97 -0.23 0.00 0.00 178.00 177.89 1f11 h ASN 53 N 0.40 -0.66 -0.35 1.44 -0.00 -1.89 -3.31 115.58 111.21 1f11 h ASN 53 Ca 0.67 0.05 0.00 0.00 -0.00 0.00 0.00 56.30 57.02 1f11 h ASN 53 Cb 1.58 0.22 0.00 0.00 -0.00 0.00 0.00 38.32 40.12 1f11 h ASN 53 CO -0.44 -0.31 0.00 -0.46 -0.00 0.00 0.00 177.43 176.22 1f11 n ASN 54 N -3.79 2.97 -0.72 1.15 6.94 -1.09 -4.94 115.26 115.78 1f11 n ASN 54 Ca -0.06 -1.91 -0.08 0.00 -0.02 0.00 0.00 54.58 52.51 1f11 n ASN 54 Cb 0.22 -0.23 -0.03 0.00 -2.36 0.00 0.00 39.78 37.38 1f11 n ASN 54 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1f11 n GLY 55 N 0.81 0.72 3.71 4.83 0.00 0.21 -4.97 105.19 110.50 1f11 n GLY 55 Ca 0.14 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 1f11 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f11 n GLY 56 N -1.70 0.42 2.82 -0.02 0.00 -1.06 -4.65 105.19 101.01 1f11 n GLY 56 Ca -0.09 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 1f11 n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f11 s THR 57 N -1.39 -0.02 -0.12 2.61 2.01 -1.26 0.73 115.64 118.20 1f11 s THR 57 Ca 0.79 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.91 1f11 s THR 57 Cb -0.40 -0.05 0.01 0.00 0.01 0.00 0.00 72.50 72.08 1f11 s THR 57 CO 0.43 0.04 -0.16 -0.83 -0.69 0.00 0.00 174.62 173.42 1f11 s GLY 58 N 0.51 1.09 -0.05 4.40 0.00 -0.38 -4.97 107.32 107.92 1f11 s GLY 58 Ca -0.04 -0.80 0.06 0.00 0.00 0.00 0.00 44.72 43.94 1f11 s GLY 58 CO -0.01 0.22 -0.23 -0.19 0.00 0.00 0.00 173.10 172.89 1f11 s TYR 59 N 1.01 2.24 -0.04 1.90 2.02 -1.26 -0.05 117.35 123.17 1f11 s TYR 59 Ca -0.06 -0.64 -0.30 0.00 -0.37 0.00 0.00 57.07 55.70 1f11 s TYR 59 Cb -0.15 -1.47 -0.05 0.00 -0.40 0.00 0.00 41.96 39.90 1f11 s TYR 59 CO -0.02 -0.19 1.38 1.21 -1.57 0.00 0.00 175.55 176.36 1f11 s ASN 60 N -0.15 6.87 0.25 2.29 3.84 0.81 -4.87 114.94 123.98 1f11 s ASN 60 Ca -0.03 2.03 -0.01 0.00 0.21 0.00 0.00 52.86 55.06 1f11 s ASN 60 Cb -0.13 -2.55 0.54 0.00 -0.55 0.00 0.00 41.25 38.56 1f11 s ASN 60 CO 0.03 -0.73 1.29 1.67 -2.79 0.00 0.00 177.10 176.57 1f11 n GLN 61 N 5.74 -0.07 -0.35 0.43 -0.06 -1.26 -0.16 117.38 121.65 1f11 n GLN 61 Ca 0.13 1.25 0.15 0.00 -2.00 0.00 0.00 57.00 56.54 1f11 n GLN 61 Cb 0.44 -1.95 0.35 0.00 -4.06 0.00 0.00 30.24 25.02 1f11 n GLN 61 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1f11 h LYS 62 N 0.00 0.63 -0.49 3.69 1.57 -1.95 -1.71 116.57 118.31 1f11 h LYS 62 Ca 0.46 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1f11 h LYS 62 Cb 0.88 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1f11 h LYS 62 CO -0.80 0.42 0.00 1.19 -0.57 0.00 0.00 179.45 179.69 1f11 n PHE 63 N -4.84 0.65 -2.29 -1.35 3.01 0.78 -4.81 117.46 108.61 1f11 n PHE 63 Ca 0.25 -0.33 -0.43 0.00 1.01 0.00 0.00 57.45 57.96 1f11 n PHE 63 Cb 0.66 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.10 1f11 n PHE 63 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1f11 s LYS 64 N -1.35 4.22 0.00 -1.08 2.20 -0.65 -1.24 119.74 121.84 1f11 s LYS 64 Ca 0.39 1.83 0.00 0.00 -0.36 0.00 0.00 55.97 57.83 1f11 s LYS 64 Cb 0.21 -3.83 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1f11 s LYS 64 CO 0.28 -0.75 0.00 0.41 -0.36 0.00 0.00 175.35 174.93 1f11 n GLY 65 N 3.77 3.01 0.12 5.54 0.00 -1.26 -4.82 105.19 111.56 1f11 n GLY 65 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1f11 n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1f11 n LYS 66 N -0.58 0.63 -3.93 1.61 3.00 -0.97 -4.71 118.16 113.21 1f11 n LYS 66 Ca 0.00 0.42 -0.31 0.00 -0.00 0.00 0.00 58.31 58.42 1f11 n LYS 66 Cb 0.00 -1.70 -0.04 0.00 0.00 0.00 0.00 35.03 33.29 1f11 n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1f11 s ALA 67 N -2.45 3.95 -0.35 3.14 0.00 -0.37 -0.87 121.76 124.80 1f11 s ALA 67 Ca -0.28 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 50.84 1f11 s ALA 67 Cb 0.07 -1.79 0.14 0.00 0.00 0.00 0.00 23.12 21.55 1f11 s ALA 67 CO 0.64 0.81 0.30 0.99 0.00 0.00 0.00 175.76 178.49 1f11 s THR 68 N -1.47 -0.16 0.31 0.00 2.01 -0.20 -4.80 115.64 111.32 1f11 s THR 68 Ca 0.33 -1.18 -0.28 0.00 0.31 0.00 0.00 61.69 60.87 1f11 s THR 68 Cb -0.13 -0.87 -0.10 0.00 0.01 0.00 0.00 72.50 71.41 1f11 s THR 68 CO 0.26 -0.73 1.15 -0.76 -0.69 0.00 0.00 174.62 173.85 1f11 s LEU 69 N 1.43 4.45 0.12 4.42 1.43 -1.26 -2.36 118.68 126.90 1f11 s LEU 69 Ca 0.16 2.35 -0.09 0.00 -1.03 0.00 0.00 54.13 55.52 1f11 s LEU 69 Cb -0.18 -3.72 -0.00 0.00 0.03 0.00 0.00 46.19 42.31 1f11 s LEU 69 CO -0.06 -0.32 0.23 -0.89 0.23 0.00 0.00 176.35 175.54 1f11 s THR 70 N -1.23 0.11 0.10 5.49 2.01 0.15 -4.99 115.64 117.28 1f11 s THR 70 Ca 0.48 -1.24 -0.08 0.00 0.31 0.00 0.00 61.69 61.16 1f11 s THR 70 Cb -0.33 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 1f11 s THR 70 CO 0.42 -0.50 0.18 0.54 -0.69 0.00 0.00 174.62 174.57 1f11 s VAL 71 N -3.90 0.14 -0.29 3.82 0.11 -1.26 -0.49 120.40 118.53 1f11 s VAL 71 Ca 0.10 -1.28 -0.03 0.00 -2.93 0.00 0.00 61.98 57.83 1f11 s VAL 71 Cb 0.04 -1.43 0.10 0.00 -1.53 0.00 0.00 36.38 33.56 1f11 s VAL 71 CO -0.07 -0.64 0.12 -0.62 -3.33 0.00 0.00 175.10 170.57 1f11 s ASP 72 N -2.88 3.59 0.15 3.54 2.15 0.36 -4.96 116.67 118.63 1f11 s ASP 72 Ca 0.07 -1.33 -0.23 0.00 0.43 0.00 0.00 52.55 51.49 1f11 s ASP 72 Cb 0.05 -0.43 0.04 0.00 -0.30 0.00 0.00 42.92 42.27 1f11 s ASP 72 CO -0.09 -0.43 1.61 0.11 -0.17 0.00 0.00 175.17 176.19 1f11 h LYS 73 N 8.36 -0.27 -0.23 4.34 1.57 -1.87 -1.16 116.57 127.30 1f11 h LYS 73 Ca -0.19 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1f11 h LYS 73 Cb 1.01 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1f11 h LYS 73 CO 0.44 -0.18 0.32 0.66 -0.57 0.00 0.00 179.45 180.12 1f11 h SER 74 N -0.28 0.00 -0.10 0.86 4.64 -1.96 -0.42 113.55 116.29 1f11 h SER 74 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1f11 h SER 74 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1f11 h SER 74 CO -0.46 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 173.96 1f11 n SER 75 N -3.55 2.03 -3.94 4.97 3.41 -0.93 -4.97 113.62 110.64 1f11 n SER 75 Ca 0.03 -1.67 -0.30 0.00 -0.26 0.00 0.00 58.87 56.67 1f11 n SER 75 Cb 0.45 -0.07 0.02 0.00 -0.26 0.00 0.00 64.21 64.35 1f11 n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1f11 n SER 76 N 0.14 -4.09 -4.27 4.04 7.64 -0.17 -4.76 113.62 112.15 1f11 n SER 76 Ca 0.05 -0.82 -0.31 0.00 1.01 0.00 0.00 58.87 58.79 1f11 n SER 76 Cb 0.25 -3.71 -0.16 0.00 -1.01 0.00 0.00 64.21 59.58 1f11 n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1f11 s THR 77 N -3.36 1.99 -0.04 0.44 2.01 -0.88 -1.51 115.64 114.29 1f11 s THR 77 Ca 0.59 -1.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 1f11 s THR 77 Cb -0.30 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1f11 s THR 77 CO 0.85 0.56 0.05 0.00 -0.69 0.00 0.00 174.62 175.38 1f11 s ALA 78 N -0.32 3.47 0.06 7.40 0.00 -0.61 -0.48 121.76 131.26 1f11 s ALA 78 Ca 0.02 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.20 1f11 s ALA 78 Cb -0.12 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 1f11 s ALA 78 CO 0.02 0.64 -0.16 0.71 0.00 0.00 0.00 175.76 176.97 1f11 s TYR 79 N -1.05 1.41 -0.02 0.00 2.02 0.36 0.62 117.35 120.69 1f11 s TYR 79 Ca 0.18 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.50 1f11 s TYR 79 Cb -0.12 -0.82 0.01 0.00 -0.40 0.00 0.00 41.96 40.64 1f11 s TYR 79 CO 0.08 0.07 -0.01 1.41 -1.57 0.00 0.00 175.55 175.54 1f11 s MET 80 N -1.38 0.21 -0.07 -0.62 -2.45 -0.30 -0.68 119.30 114.02 1f11 s MET 80 Ca 0.03 0.02 0.04 0.00 -1.25 0.00 0.00 55.69 54.52 1f11 s MET 80 Cb -0.09 -0.32 0.00 0.00 1.25 0.00 0.00 34.83 35.67 1f11 s MET 80 CO 0.02 -0.06 -0.20 -1.14 1.05 0.00 0.00 175.02 174.70 1f11 s GLN 81 N 0.54 2.34 -0.21 4.11 0.74 -1.00 -0.69 119.66 125.50 1f11 s GLN 81 Ca -0.05 -0.71 -0.05 0.00 0.05 0.00 0.00 55.36 54.60 1f11 s GLN 81 Cb -0.08 -1.88 -0.03 0.00 1.10 0.00 0.00 33.01 32.12 1f11 s GLN 81 CO -0.01 0.20 0.01 -0.51 -0.55 0.00 0.00 175.29 174.43 1f11 s LEU 82 N 0.25 3.31 0.28 3.68 1.43 0.26 -1.04 118.68 126.86 1f11 s LEU 82 Ca -0.12 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1f11 s LEU 82 Cb -0.15 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1f11 s LEU 82 CO 0.05 0.06 0.46 0.20 0.23 0.00 0.00 176.35 177.34 1f11 s ASN 82 N 1.06 6.32 -1.00 2.29 0.01 -0.05 -1.79 114.94 121.78 1f11 s ASN 82 Ca 0.02 0.31 -0.21 0.00 -0.71 0.00 0.00 52.86 52.28 1f11 s ASN 82 Cb -0.14 -1.97 0.03 0.00 0.41 0.00 0.00 41.25 39.58 1f11 s ASN 82 CO 0.02 -0.17 0.40 -1.20 -1.51 0.00 0.00 177.10 174.63 1f11 n SER 82 N -1.46 -2.20 -4.62 -1.22 7.64 -1.15 -4.83 113.62 105.78 1f11 n SER 82 Ca -0.06 -1.01 -0.36 0.00 1.01 0.00 0.00 58.87 58.45 1f11 n SER 82 Cb 0.56 -1.21 0.08 0.00 -1.01 0.00 0.00 64.21 62.62 1f11 n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f11 n LEU 82 N -4.05 3.73 -4.00 -3.43 4.77 0.60 -4.62 117.00 109.99 1f11 n LEU 82 Ca -0.13 0.70 -0.10 0.00 -0.03 0.00 0.00 56.01 56.46 1f11 n LEU 82 Cb 0.46 -1.41 -0.08 0.00 -2.33 0.00 0.00 43.42 40.06 1f11 n LEU 82 CO 0.59 -1.94 -0.07 0.42 -1.33 0.00 0.00 177.39 175.07 1f11 s THR 83 N -1.72 0.07 0.55 -5.08 -4.23 -1.26 -0.17 115.64 103.79 1f11 s THR 83 Ca 0.75 -1.50 0.31 0.00 -1.18 0.00 0.00 61.69 60.07 1f11 s THR 83 Cb -0.36 -1.91 0.47 0.00 1.34 0.00 0.00 72.50 72.03 1f11 s THR 83 CO 0.49 -0.30 1.88 0.77 -0.54 0.00 0.00 174.62 176.91 1f11 h SER 84 N 2.59 0.00 0.10 3.99 4.64 -1.97 0.44 113.55 123.35 1f11 h SER 84 Ca -0.32 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.97 1f11 h SER 84 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1f11 h SER 84 CO 0.50 0.00 -0.12 -0.33 -0.87 0.00 0.00 176.83 176.01 1f11 h GLU 85 N 0.00 0.04 0.00 4.77 3.07 -1.96 -0.80 114.58 119.69 1f11 h GLU 85 Ca 0.40 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 1f11 h GLU 85 Cb 1.66 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.57 1f11 h GLU 85 CO -0.00 0.16 0.00 -0.25 -1.40 0.00 0.00 179.01 177.51 1f11 n ASP 86 N -4.38 0.00 -4.57 1.42 8.00 0.16 -4.65 116.55 112.52 1f11 n ASP 86 Ca -0.02 -1.70 -0.43 0.00 0.71 0.00 0.00 54.79 53.35 1f11 n ASP 86 Cb 0.20 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.25 1f11 n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1f11 s SER 87 N -1.16 6.50 0.00 -2.24 0.01 -0.31 -4.77 113.70 111.73 1f11 s SER 87 Ca 0.01 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1f11 s SER 87 Cb 0.00 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1f11 s SER 87 CO 0.00 -0.91 0.00 0.00 0.41 0.00 0.00 173.24 172.74 1f11 n ALA 88 N 6.81 0.00 -2.79 1.44 0.00 -0.89 -4.70 120.51 120.37 1f11 n ALA 88 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.15 1f11 n ALA 88 Cb 0.48 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.81 1f11 n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1f11 s VAL 89 N -2.24 3.44 -0.16 0.00 1.01 0.34 -1.60 120.40 121.20 1f11 s VAL 89 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1f11 s VAL 89 Cb 0.00 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.95 1f11 s VAL 89 CO 0.00 0.55 -0.15 -0.31 0.00 0.00 0.00 175.10 175.19 1f11 s TYR 90 N -0.19 2.78 0.14 5.22 2.02 -0.56 0.20 117.35 126.97 1f11 s TYR 90 Ca 0.02 -1.07 0.08 0.00 -0.37 0.00 0.00 57.07 55.72 1f11 s TYR 90 Cb -0.13 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.50 1f11 s TYR 90 CO 0.03 -0.49 -0.07 0.71 -1.57 0.00 0.00 175.55 174.15 1f11 s TYR 91 N 0.85 2.74 0.02 2.71 2.02 0.14 -1.96 117.35 123.86 1f11 s TYR 91 Ca -0.05 -0.17 0.07 0.00 -0.37 0.00 0.00 57.07 56.55 1f11 s TYR 91 Cb -0.15 -1.38 -0.03 0.00 -0.40 0.00 0.00 41.96 40.00 1f11 s TYR 91 CO -0.01 0.47 -0.19 0.00 -1.57 0.00 0.00 175.55 174.26 1f11 s ALA 93 N -0.84 1.28 0.23 0.00 0.00 0.12 -1.03 121.76 121.51 1f11 s ALA 93 Ca 0.13 -1.77 -0.16 0.00 0.00 0.00 0.00 51.96 50.16 1f11 s ALA 93 Cb -0.10 1.33 0.01 0.00 0.00 0.00 0.00 23.12 24.36 1f11 s ALA 93 CO 0.03 -0.71 0.54 0.54 0.00 0.00 0.00 175.76 176.16 1f11 s ASN 94 N -3.28 -0.20 -0.45 0.00 4.22 -0.68 -0.65 114.94 113.91 1f11 s ASN 94 Ca 0.36 -0.66 0.04 0.00 -2.14 0.00 0.00 52.86 50.46 1f11 s ASN 94 Cb 0.02 0.60 0.48 0.00 1.28 0.00 0.00 41.25 43.63 1f11 s ASN 94 CO 0.22 -1.13 1.62 -0.67 -2.04 0.00 0.00 177.10 175.11 1f11 n ASP 95 N -0.37 5.41 -4.64 3.54 2.03 -1.26 -1.78 116.55 119.48 1f11 n ASP 95 Ca -0.06 -3.77 -0.46 0.00 0.52 0.00 0.00 54.79 51.02 1f11 n ASP 95 Cb 0.62 -0.68 -0.04 0.00 -0.72 0.00 0.00 41.12 40.29 1f11 n ASP 95 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f11 n TYR 96 N -0.91 2.23 0.00 -0.67 9.36 -1.26 0.81 117.16 126.73 1f11 n TYR 96 Ca 0.50 -0.08 0.00 0.00 3.32 0.00 0.00 57.90 61.64 1f11 n TYR 96 Cb 0.92 -2.69 0.00 0.00 -0.63 0.00 0.00 39.34 36.93 1f11 n TYR 96 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1f11 n GLY 97 N 4.90 0.84 3.83 2.98 0.00 -1.26 -4.75 105.19 111.73 1f11 n GLY 97 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 1f11 n GLY 97 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1f11 n SER 98 N 0.00 -4.91 -0.25 1.61 7.64 0.24 -4.85 113.62 113.10 1f11 n SER 98 Ca 0.00 -1.09 0.14 0.00 1.01 0.00 0.00 58.87 58.92 1f11 n SER 98 Cb 0.00 -2.57 0.48 0.00 -1.01 0.00 0.00 64.21 61.11 1f11 n SER 98 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1f11 n THR 99 N -4.28 0.00 -3.04 0.44 -2.24 -1.26 -4.90 114.28 99.00 1f11 n THR 99 Ca -0.12 -0.13 -0.18 0.00 -2.27 0.00 0.00 64.05 61.35 1f11 n THR 99 Cb 0.59 0.27 0.04 0.00 -2.10 0.00 0.00 70.33 69.12 1f11 n THR 99 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1f11 n TYR 100 N -0.57 -1.79 -1.89 4.78 4.01 -1.26 -4.95 117.16 115.48 1f11 n TYR 100 Ca 0.14 0.55 0.00 0.00 -0.16 0.00 0.00 57.90 58.44 1f11 n TYR 100 Cb 0.32 -3.85 0.00 0.00 -0.31 0.00 0.00 39.34 35.51 1f11 n TYR 100 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1f11 n GLY 100 N -1.47 3.94 3.19 2.72 0.00 -1.26 -5.10 105.19 107.21 1f11 n GLY 100 Ca -0.05 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 1f11 n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f11 s PHE 100 N -1.36 3.50 -0.08 1.61 0.40 -1.26 -4.41 117.98 116.38 1f11 s PHE 100 Ca 0.00 -2.24 -0.24 0.00 -0.60 0.00 0.00 56.93 53.85 1f11 s PHE 100 Cb 0.00 -3.45 -0.20 0.00 0.51 0.00 0.00 43.02 39.88 1f11 s PHE 100 CO 0.00 -0.94 0.88 0.00 0.70 0.00 0.00 175.22 175.86 1f11 h ALA 101 N 7.76 -0.06 -4.00 5.36 0.00 -1.69 -3.46 119.26 123.18 1f11 h ALA 101 Ca -0.07 -0.33 -0.69 0.00 0.00 0.00 0.00 54.91 53.83 1f11 h ALA 101 Cb 1.02 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.61 1f11 h ALA 101 CO 0.78 -0.15 -0.79 0.71 0.00 0.00 0.00 179.25 179.80 1f11 s TYR 102 N -3.03 2.62 0.16 0.00 1.51 -1.03 -4.99 117.35 112.57 1f11 s TYR 102 Ca -0.15 -0.22 0.07 0.00 -1.01 0.00 0.00 57.07 55.76 1f11 s TYR 102 Cb -0.01 -1.53 -0.04 0.00 -0.11 0.00 0.00 41.96 40.27 1f11 s TYR 102 CO 0.58 0.23 -0.15 -1.58 -1.11 0.00 0.00 175.55 173.52 1f11 s TRP 103 N -0.86 1.59 0.87 2.71 0.52 -1.26 -1.69 118.94 120.82 1f11 s TRP 103 Ca 0.14 -0.55 -0.11 0.00 0.02 0.00 0.00 56.10 55.60 1f11 s TRP 103 Cb -0.11 -0.79 0.17 0.00 -1.15 0.00 0.00 33.47 31.59 1f11 s TRP 103 CO 0.04 0.25 1.21 0.20 0.02 0.00 0.00 176.95 178.66 1f11 s GLY 104 N -2.77 1.77 0.00 0.98 0.00 -0.20 -4.62 107.32 102.48 1f11 s GLY 104 Ca 0.15 -1.34 0.23 0.00 0.00 0.00 0.00 44.72 43.76 1f11 s GLY 104 CO 0.05 -0.65 1.75 0.61 0.00 0.00 0.00 173.10 174.85 1f11 n GLN 105 N -3.43 1.34 0.00 2.90 -0.00 -1.26 -4.82 117.38 112.11 1f11 n GLN 105 Ca 0.15 -0.51 0.00 0.00 -0.00 0.00 0.00 57.00 56.64 1f11 n GLN 105 Cb 0.60 -1.39 0.00 0.00 -0.00 0.00 0.00 30.24 29.45 1f11 n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1f11 n GLY 106 N 0.99 0.29 2.71 2.61 0.00 -1.26 -5.03 105.19 105.50 1f11 n GLY 106 Ca 0.17 -1.70 -0.19 0.00 0.00 0.00 0.00 46.02 44.31 1f11 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f11 s THR 107 N -2.97 -0.06 -0.29 2.61 2.01 -0.83 -4.84 115.64 111.27 1f11 s THR 107 Ca 0.00 0.35 -0.19 0.00 0.31 0.00 0.00 61.69 62.16 1f11 s THR 107 Cb 0.00 -0.15 -0.02 0.00 0.01 0.00 0.00 72.50 72.34 1f11 s THR 107 CO 0.00 0.16 0.57 -0.22 -0.69 0.00 0.00 174.62 174.44 1f11 s LEU 108 N 1.83 4.13 -0.17 4.42 2.96 -1.26 -1.49 118.68 129.09 1f11 s LEU 108 Ca 0.01 0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 54.31 1f11 s LEU 108 Cb -0.12 -2.73 -0.01 0.00 0.50 0.00 0.00 46.19 43.83 1f11 s LEU 108 CO -0.03 -0.40 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.82 1f11 s VAL 109 N 2.46 3.25 -0.24 1.68 1.01 -0.62 -0.98 120.40 126.96 1f11 s VAL 109 Ca 0.23 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 1f11 s VAL 109 Cb -0.15 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1f11 s VAL 109 CO 0.11 0.48 -0.06 -0.89 0.00 0.00 0.00 175.10 174.73 1f11 s THR 110 N 0.86 2.92 -0.36 3.92 2.01 0.12 -2.10 115.64 123.00 1f11 s THR 110 Ca -0.02 -0.94 -0.18 0.00 0.31 0.00 0.00 61.69 60.85 1f11 s THR 110 Cb -0.15 -2.45 -0.00 0.00 0.01 0.00 0.00 72.50 69.91 1f11 s THR 110 CO 0.01 0.25 0.53 -0.69 -0.69 0.00 0.00 174.62 174.02 1f11 s VAL 111 N 1.35 4.99 -0.12 3.82 1.01 -1.26 -0.15 120.40 130.04 1f11 s VAL 111 Ca 0.01 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 62.01 1f11 s VAL 111 Cb -0.16 -4.00 0.10 0.00 0.00 0.00 0.00 36.38 32.33 1f11 s VAL 111 CO -0.05 -0.26 0.86 -0.55 0.00 0.00 0.00 175.10 175.10 1f11 s SER 112 N 1.78 -0.50 0.21 3.32 0.15 0.91 -4.63 113.70 114.94 1f11 s SER 112 Ca 0.19 0.57 -0.06 0.00 0.70 0.00 0.00 55.95 57.36 1f11 s SER 112 Cb -0.15 0.45 0.17 0.00 -1.71 0.00 0.00 66.02 64.77 1f11 s SER 112 CO 0.14 -0.44 1.67 0.00 1.20 0.00 0.00 173.24 175.80 1f11 h ALA 113 N 2.86 0.91 -2.21 5.45 0.00 -1.96 -3.38 119.26 120.94 1f11 h ALA 113 Ca -0.22 -0.32 -0.60 0.00 0.00 0.00 0.00 54.91 53.77 1f11 h ALA 113 Cb 1.15 -0.20 0.15 0.00 0.00 0.00 0.00 17.79 18.90 1f11 h ALA 113 CO 0.33 0.64 -0.37 0.00 0.00 0.00 0.00 179.25 179.85 1f11 n ALA 114 N -2.49 -1.29 -2.52 0.00 0.00 -1.26 -5.00 120.51 107.96 1f11 n ALA 114 Ca 0.02 0.11 -0.28 0.00 0.00 0.00 0.00 53.44 53.29 1f11 n ALA 114 Cb 0.36 -1.81 -0.03 0.00 0.00 0.00 0.00 19.45 17.98 1f11 n ALA 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1f11 s LYS 115 N -1.75 3.61 0.10 0.00 1.02 -1.26 -5.03 119.74 116.42 1f11 s LYS 115 Ca 0.65 -0.03 -0.30 0.00 0.02 0.00 0.00 55.97 56.31 1f11 s LYS 115 Cb -0.55 -2.63 -0.06 0.00 -0.52 0.00 0.00 37.83 34.07 1f11 s LYS 115 CO 0.57 0.18 1.14 0.95 -0.92 0.00 0.00 175.35 177.27 1f11 s THR 116 N -2.16 4.05 -0.12 2.17 -4.23 -1.26 -4.83 115.64 109.26 1f11 s THR 116 Ca 0.44 1.57 0.03 0.00 -1.18 0.00 0.00 61.69 62.55 1f11 s THR 116 Cb -0.10 -4.00 0.00 0.00 1.34 0.00 0.00 72.50 69.73 1f11 s THR 116 CO 0.32 0.18 -0.22 -0.89 -0.54 0.00 0.00 174.62 173.46 1f11 s THR 117 N 0.56 2.16 0.64 3.99 2.01 0.23 -4.96 115.64 120.27 1f11 s THR 117 Ca 0.55 -0.97 -0.14 0.00 0.31 0.00 0.00 61.69 61.44 1f11 s THR 117 Cb -0.29 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 1f11 s THR 117 CO 0.31 0.55 1.06 -2.84 -0.69 0.00 0.00 174.62 173.01 1f11 s PRO 118 N 0.57 3.13 0.60 4.92 0.02 -1.26 -0.53 135.00 142.45 1f11 s PRO 118 Ca -0.13 1.10 -0.12 0.00 0.02 0.00 0.00 61.00 61.87 1f11 s PRO 118 Cb -0.17 -2.01 -0.05 0.00 0.02 0.00 0.00 34.50 32.29 1f11 s PRO 118 CO 0.04 -0.95 1.02 -1.25 -0.33 0.00 0.00 177.00 175.53 1f11 s PRO 119 N -4.50 3.66 -0.30 5.54 0.04 -1.26 -4.47 135.00 133.72 1f11 s PRO 119 Ca 0.61 0.79 -0.09 0.00 0.04 0.00 0.00 61.00 62.35 1f11 s PRO 119 Cb -0.15 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 1f11 s PRO 119 CO 0.45 -0.52 0.14 -1.12 0.04 0.00 0.00 177.00 175.99 1f11 s SER 120 N -3.95 5.48 -0.35 6.66 0.01 0.08 -4.92 113.70 116.71 1f11 s SER 120 Ca 0.56 -0.47 -0.16 0.00 1.31 0.00 0.00 55.95 57.19 1f11 s SER 120 Cb -0.11 -1.99 -0.01 0.00 0.21 0.00 0.00 66.02 64.13 1f11 s SER 120 CO 0.49 -0.17 0.38 -0.69 0.41 0.00 0.00 173.24 173.67 1f11 s VAL 121 N 1.61 5.14 -0.11 3.43 1.01 -1.26 -1.55 120.40 128.68 1f11 s VAL 121 Ca 0.05 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1f11 s VAL 121 Cb -0.17 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1f11 s VAL 121 CO 0.06 -0.14 -0.18 -0.31 0.00 0.00 0.00 175.10 174.53 1f11 s TYR 122 N 2.07 2.69 0.31 5.22 2.02 -0.02 -4.99 117.35 124.65 1f11 s TYR 122 Ca 0.12 -0.76 -0.19 0.00 -0.37 0.00 0.00 57.07 55.87 1f11 s TYR 122 Cb -0.16 -1.77 -0.09 0.00 -0.40 0.00 0.00 41.96 39.54 1f11 s TYR 122 CO 0.12 -0.26 0.80 -1.25 -1.57 0.00 0.00 175.55 173.40 1f11 s PRO 123 N 0.24 4.21 -0.32 -1.71 0.04 -1.26 -0.35 135.00 135.85 1f11 s PRO 123 Ca -0.12 0.92 0.03 0.00 0.04 0.00 0.00 61.00 61.86 1f11 s PRO 123 Cb -0.16 -2.58 0.08 0.00 0.04 0.00 0.00 34.50 31.88 1f11 s PRO 123 CO 0.06 0.21 0.01 -0.51 0.04 0.00 0.00 177.00 176.82 1f11 s LEU 124 N -2.56 4.33 0.14 -3.56 1.43 0.12 -4.87 118.68 113.70 1f11 s LEU 124 Ca 0.52 -1.83 0.03 0.00 -1.03 0.00 0.00 54.13 51.81 1f11 s LEU 124 Cb -0.13 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 1f11 s LEU 124 CO 0.19 -0.33 0.20 0.00 0.23 0.00 0.00 176.35 176.64 1f11 s ALA 125 N 1.02 3.78 0.10 4.21 0.00 -1.26 -1.58 121.76 128.02 1f11 s ALA 125 Ca 0.03 -1.08 -0.26 0.00 0.00 0.00 0.00 51.96 50.64 1f11 s ALA 125 Cb -0.20 -1.59 -0.11 0.00 0.00 0.00 0.00 23.12 21.22 1f11 s ALA 125 CO -0.06 0.57 1.67 -1.35 0.00 0.00 0.00 175.76 176.59 1f11 h PRO 126 N 2.45 -0.38 -0.89 0.00 0.11 -1.90 -3.49 132.00 127.90 1f11 h PRO 126 Ca -0.48 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1f11 h PRO 126 Cb 1.19 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1f11 h PRO 126 CO 0.67 -0.25 0.00 0.41 -0.21 0.00 0.00 178.00 178.62 1f11 n GLY 127 N -1.31 -0.65 6.02 -0.55 0.00 -1.26 -4.88 105.19 102.56 1f11 n GLY 127 Ca -0.08 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1f11 n GLY 127 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1f11 n SER 128 N -0.04 0.00 -4.35 1.61 3.41 -1.26 -4.55 113.62 108.44 1f11 n SER 128 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 1f11 n SER 128 Cb 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.14 1f11 n SER 128 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f11 n ALA 129 N 7.27 -3.59 -1.06 7.33 0.00 -1.26 -2.83 120.51 126.38 1f11 n ALA 129 Ca 0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 53.44 52.25 1f11 n ALA 129 Cb 0.00 -1.69 -0.01 0.00 0.00 0.00 0.00 19.45 17.75 1f11 n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f11 n ALA 130 N -4.47 -0.03 0.16 0.00 0.00 -1.26 -4.81 120.51 110.10 1f11 n ALA 130 Ca 0.02 0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.50 1f11 n ALA 130 Cb 0.59 -1.37 0.26 0.00 0.00 0.00 0.00 19.45 18.93 1f11 n ALA 130 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1f11 h GLN 133 N 0.12 0.00 -4.14 0.00 4.15 -1.79 -3.49 115.11 109.96 1f11 h GLN 133 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1f11 h GLN 133 Cb 0.90 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.59 1f11 h GLN 133 CO 0.06 0.50 -0.98 0.25 -1.93 0.00 0.00 178.83 176.74 1f11 n THR 134 N -3.90 -5.81 -0.45 2.39 -2.24 -1.26 -4.88 114.28 98.14 1f11 n THR 134 Ca -0.01 2.68 -0.16 0.00 -2.27 0.00 0.00 64.05 64.28 1f11 n THR 134 Cb 0.53 -3.53 0.15 0.00 -2.10 0.00 0.00 70.33 65.37 1f11 n THR 134 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1f11 n ASN 135 N 0.11 -2.39 0.00 3.42 3.02 -1.26 -4.81 115.26 113.35 1f11 n ASN 135 Ca 0.00 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 1f11 n ASN 135 Cb 0.00 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 1f11 n ASN 135 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1f11 n SER 136 N -4.26 -1.84 -3.17 6.41 7.64 -1.26 -4.76 113.62 112.38 1f11 n SER 136 Ca 0.08 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.66 1f11 n SER 136 Cb 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1f11 n SER 136 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1f11 n MET 137 N 0.00 0.00 -3.82 1.43 2.81 -1.26 -3.17 117.12 113.10 1f11 n MET 137 Ca 0.00 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.73 1f11 n MET 137 Cb 0.00 -0.74 -0.16 0.00 -0.71 0.00 0.00 33.22 31.61 1f11 n MET 137 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1f11 s VAL 138 N -1.39 0.02 -0.16 2.03 1.01 0.26 -4.74 120.40 117.43 1f11 s VAL 138 Ca 0.43 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.50 1f11 s VAL 138 Cb -0.41 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1f11 s VAL 138 CO 0.48 0.11 0.15 -0.89 0.00 0.00 0.00 175.10 174.96 1f11 s THR 139 N 1.10 5.43 0.17 3.92 2.01 -1.26 -0.18 115.64 126.81 1f11 s THR 139 Ca -0.09 0.24 0.10 0.00 0.31 0.00 0.00 61.69 62.26 1f11 s THR 139 Cb -0.13 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 1f11 s THR 139 CO -0.03 0.50 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.42 1f11 s LEU 140 N -0.14 2.40 0.18 4.42 1.43 -0.17 -4.59 118.68 122.22 1f11 s LEU 140 Ca 0.11 -0.83 0.01 0.00 -1.03 0.00 0.00 54.13 52.40 1f11 s LEU 140 Cb -0.12 -1.06 -0.05 0.00 0.03 0.00 0.00 46.19 45.00 1f11 s LEU 140 CO 0.01 0.08 0.03 -0.83 0.23 0.00 0.00 176.35 175.87 1f11 s GLY 141 N -2.49 1.29 -0.04 -3.19 0.00 -0.61 -0.39 107.32 101.89 1f11 s GLY 141 Ca 0.17 -1.63 -0.02 0.00 0.00 0.00 0.00 44.72 43.24 1f11 s GLY 141 CO 0.08 -1.52 0.05 0.00 0.00 0.00 0.00 173.10 171.71 1f11 s LEU 143 N 2.08 4.38 -0.43 0.00 2.96 0.52 -1.17 118.68 127.02 1f11 s LEU 143 Ca 0.04 -0.38 -0.08 0.00 -0.22 0.00 0.00 54.13 53.49 1f11 s LEU 143 Cb -0.12 -2.11 0.09 0.00 0.50 0.00 0.00 46.19 44.55 1f11 s LEU 143 CO -0.03 -0.20 0.27 -0.69 -1.32 0.00 0.00 176.35 174.38 1f11 s VAL 144 N 1.71 4.06 0.12 1.68 1.01 -0.52 -0.84 120.40 127.62 1f11 s VAL 144 Ca 0.06 -1.61 0.08 0.00 0.00 0.00 0.00 61.98 60.51 1f11 s VAL 144 Cb -0.17 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1f11 s VAL 144 CO 0.10 -0.60 -0.20 -1.59 0.00 0.00 0.00 175.10 172.80 1f11 s LYS 145 N 1.36 1.17 -0.59 2.72 -2.85 -0.59 -1.42 119.74 119.54 1f11 s LYS 145 Ca 0.04 -1.23 -0.01 0.00 -1.00 0.00 0.00 55.97 53.77 1f11 s LYS 145 Cb -0.24 -1.38 -0.01 0.00 -2.06 0.00 0.00 37.83 34.14 1f11 s LYS 145 CO 0.00 0.31 0.49 0.41 0.10 0.00 0.00 175.35 176.67 1f11 n GLY 146 N 0.86 -0.01 3.59 0.59 0.00 0.37 -0.74 105.19 109.85 1f11 n GLY 146 Ca -0.18 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 1f11 n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1f11 s TYR 147 N -3.19 2.45 -0.29 1.61 1.13 -0.18 -4.39 117.35 114.50 1f11 s TYR 147 Ca 0.06 -0.65 -0.22 0.00 -1.41 0.00 0.00 57.07 54.86 1f11 s TYR 147 Cb -0.01 -1.66 0.15 0.00 -1.10 0.00 0.00 41.96 39.34 1f11 s TYR 147 CO 0.37 0.45 1.10 0.12 -2.51 0.00 0.00 175.55 175.08 1f11 s PHE 148 N -2.73 -0.40 0.00 -3.49 2.19 0.31 0.05 117.98 113.91 1f11 s PHE 148 Ca 0.34 0.90 0.00 0.00 0.33 0.00 0.00 56.93 58.50 1f11 s PHE 148 Cb 0.08 0.35 0.00 0.00 -1.31 0.00 0.00 43.02 42.15 1f11 s PHE 148 CO 0.17 -0.19 0.00 -0.35 1.83 0.00 0.00 175.22 176.68 1f11 n PRO 149 N 2.63 1.12 -1.37 10.12 -0.04 -1.26 -0.60 135.00 145.60 1f11 n PRO 149 Ca -0.14 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.01 1f11 n PRO 149 Cb 0.57 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.10 1f11 n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1f11 s GLU 150 N -1.53 2.50 0.11 0.54 0.41 -1.26 -4.77 118.70 114.69 1f11 s GLU 150 Ca 0.00 1.09 0.01 0.00 -0.41 0.00 0.00 54.97 55.66 1f11 s GLU 150 Cb 0.00 -1.93 0.01 0.00 -1.78 0.00 0.00 34.13 30.43 1f11 s GLU 150 CO 0.00 -1.45 0.10 -0.35 -0.49 0.00 0.00 175.26 173.07 1f11 n PRO 151 N -3.38 1.21 -3.86 0.39 -0.04 -1.26 -4.88 135.00 123.17 1f11 n PRO 151 Ca 0.08 -0.63 -0.12 0.00 -0.04 0.00 0.00 63.50 62.79 1f11 n PRO 151 Cb 0.53 0.03 -0.13 0.00 -0.04 0.00 0.00 33.50 33.90 1f11 n PRO 151 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1f11 s VAL 152 N -0.24 0.02 -0.27 0.52 -7.23 -1.26 -4.33 120.40 107.60 1f11 s VAL 152 Ca 0.08 -0.17 -0.05 0.00 -1.81 0.00 0.00 61.98 60.02 1f11 s VAL 152 Cb -0.01 -0.16 0.01 0.00 0.56 0.00 0.00 36.38 36.78 1f11 s VAL 152 CO 0.05 -0.10 0.04 -0.89 -0.31 0.00 0.00 175.10 173.89 1f11 s THR 153 N -0.27 3.68 -0.13 5.32 2.01 0.14 -4.95 115.64 121.44 1f11 s THR 153 Ca -0.03 -0.72 -0.07 0.00 0.31 0.00 0.00 61.69 61.18 1f11 s THR 153 Cb -0.02 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1f11 s THR 153 CO 0.00 0.16 0.12 -0.69 -0.69 0.00 0.00 174.62 173.52 1f11 s VAL 154 N 1.46 5.33 0.01 3.82 1.01 -1.26 -1.18 120.40 129.59 1f11 s VAL 154 Ca 0.03 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 1f11 s VAL 154 Cb -0.17 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 1f11 s VAL 154 CO 0.00 0.60 0.02 -0.89 0.00 0.00 0.00 175.10 174.83 1f11 s THR 156 N -0.83 0.10 -0.26 3.92 2.01 -0.35 -4.96 115.64 115.27 1f11 s THR 156 Ca 0.14 -0.81 -0.05 0.00 0.31 0.00 0.00 61.69 61.27 1f11 s THR 156 Cb -0.12 -0.30 0.01 0.00 0.01 0.00 0.00 72.50 72.10 1f11 s THR 156 CO 0.03 -0.45 0.02 0.26 -0.69 0.00 0.00 174.62 173.79 1f11 s TRP 157 N -1.39 3.08 -1.17 4.92 0.52 -1.26 0.91 118.94 124.56 1f11 s TRP 157 Ca -0.15 -1.05 -0.01 0.00 0.02 0.00 0.00 56.10 54.91 1f11 s TRP 157 Cb -0.09 -2.18 -0.01 0.00 -1.15 0.00 0.00 33.47 30.04 1f11 s TRP 157 CO -0.00 -0.59 0.98 0.09 0.02 0.00 0.00 176.95 177.45 1f11 n ASN 162 N 4.81 -2.91 0.00 2.95 3.02 -0.32 -1.44 115.26 121.37 1f11 n ASN 162 Ca -0.16 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 1f11 n ASN 162 Cb 0.49 -5.13 0.00 0.00 -0.61 0.00 0.00 39.78 34.53 1f11 n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1f11 n SER 163 N -3.15 0.00 0.00 6.41 7.64 -1.26 -1.95 113.62 121.32 1f11 n SER 163 Ca -0.25 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.63 1f11 n SER 163 Cb 0.66 -2.12 0.00 0.00 -1.01 0.00 0.00 64.21 61.74 1f11 n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1f11 n GLY 164 N -1.97 1.44 0.30 0.23 0.00 -0.52 -4.99 105.19 99.67 1f11 n GLY 164 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1f11 n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1f11 h SER 165 N 0.00 0.21 -3.43 1.61 0.02 -1.42 -3.35 113.55 107.19 1f11 h SER 165 Ca 0.00 -0.00 -0.73 0.00 -0.84 0.00 0.00 61.79 60.22 1f11 h SER 165 Cb 0.00 -0.05 -0.22 0.00 0.14 0.00 0.00 62.40 62.27 1f11 h SER 165 CO 0.00 0.15 -0.40 -0.76 -1.14 0.00 0.00 176.83 174.68 1f11 s LEU 166 N -9.23 5.29 -0.03 5.07 1.43 -1.18 -4.83 118.68 115.21 1f11 s LEU 166 Ca -0.06 -1.09 0.03 0.00 -1.03 0.00 0.00 54.13 51.98 1f11 s LEU 166 Cb 0.18 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1f11 s LEU 166 CO 0.71 -0.53 0.03 -1.20 0.23 0.00 0.00 176.35 175.59 1f11 n SER 167 N 5.16 4.19 -4.75 2.29 7.64 -1.26 -4.41 113.62 122.48 1f11 n SER 167 Ca -0.12 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.38 1f11 n SER 167 Cb 0.46 0.73 -0.05 0.00 -1.01 0.00 0.00 64.21 64.33 1f11 n SER 167 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1f11 s SER 168 N -3.14 6.96 0.00 6.43 0.01 -1.26 -3.73 113.70 118.96 1f11 s SER 168 Ca -0.02 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.39 1f11 s SER 168 Cb 0.01 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1f11 s SER 168 CO 0.14 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.46 1f11 n GLY 169 N 2.61 2.05 3.77 3.44 0.00 -1.26 -4.69 105.19 111.11 1f11 n GLY 169 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1f11 n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f11 s VAL 171 N -2.56 3.08 -0.30 1.61 1.01 -1.24 -2.81 120.40 119.18 1f11 s VAL 171 Ca 0.00 0.81 -0.00 0.00 0.00 0.00 0.00 61.98 62.79 1f11 s VAL 171 Cb 0.00 -3.41 0.14 0.00 0.00 0.00 0.00 36.38 33.11 1f11 s VAL 171 CO 0.00 -0.01 0.30 -1.00 0.00 0.00 0.00 175.10 174.39 1f11 s HIS 172 N -1.54 -0.42 -0.43 5.22 3.76 -0.01 -4.97 115.29 116.91 1f11 s HIS 172 Ca 0.64 -0.29 -0.15 0.00 -0.15 0.00 0.00 55.06 55.11 1f11 s HIS 172 Cb -0.29 -0.47 0.03 0.00 1.11 0.00 0.00 32.58 32.97 1f11 s HIS 172 CO 0.35 -0.93 0.35 0.99 -0.85 0.00 0.00 174.74 174.65 1f11 s THR 173 N 2.22 5.22 0.37 1.30 2.01 -1.26 -1.42 115.64 124.09 1f11 s THR 173 Ca 0.10 -0.71 -0.25 0.00 0.31 0.00 0.00 61.69 61.15 1f11 s THR 173 Cb -0.14 -4.00 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 1f11 s THR 173 CO -0.29 -0.40 1.02 -0.36 -0.69 0.00 0.00 174.62 173.91 1f11 s PHE 174 N 1.75 3.40 0.59 4.92 0.40 -0.51 -5.00 117.98 123.53 1f11 s PHE 174 Ca 0.06 1.68 -0.20 0.00 -0.60 0.00 0.00 56.93 57.87 1f11 s PHE 174 Cb -0.20 -3.07 -0.03 0.00 0.51 0.00 0.00 43.02 40.22 1f11 s PHE 174 CO 0.10 -0.39 1.28 -2.30 0.70 0.00 0.00 175.22 174.61 1f11 n PRO 175 N 0.15 1.36 -2.38 0.24 -0.02 -1.26 -4.18 135.00 128.91 1f11 n PRO 175 Ca 0.04 0.51 -0.39 0.00 -2.02 0.00 0.00 63.50 61.65 1f11 n PRO 175 Cb 0.50 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 1f11 n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f11 s ALA 176 N -1.35 3.23 0.29 3.55 0.00 -1.26 -4.75 121.76 121.46 1f11 s ALA 176 Ca 0.76 0.92 0.10 0.00 0.00 0.00 0.00 51.96 53.74 1f11 s ALA 176 Cb -0.41 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 1f11 s ALA 176 CO 0.45 -0.38 -0.03 0.14 0.00 0.00 0.00 175.76 175.94 1f11 s VAL 177 N -1.38 3.09 -0.55 0.00 -7.23 0.21 -4.90 120.40 109.65 1f11 s VAL 177 Ca 0.53 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.61 1f11 s VAL 177 Cb -0.30 -2.75 0.14 0.00 0.56 0.00 0.00 36.38 34.04 1f11 s VAL 177 CO 0.38 -0.33 0.42 -0.22 -0.31 0.00 0.00 175.10 175.04 1f11 s LEU 178 N -3.66 5.79 -0.13 1.32 2.96 -1.26 -1.19 118.68 122.51 1f11 s LEU 178 Ca 0.32 -2.17 -0.18 0.00 -0.22 0.00 0.00 54.13 51.89 1f11 s LEU 178 Cb -0.05 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1f11 s LEU 178 CO 0.19 -0.63 0.45 0.00 -1.32 0.00 0.00 176.35 175.04 1f11 s GLN 179 N 0.98 4.32 7.11 1.98 -2.07 0.08 -4.83 119.66 127.23 1f11 s GLN 179 Ca 0.09 0.40 0.00 0.00 -1.82 0.00 0.00 55.36 54.03 1f11 s GLN 179 Cb -0.23 -3.44 0.00 0.00 -1.09 0.00 0.00 33.01 28.25 1f11 s GLN 179 CO -0.02 0.16 0.00 0.43 -1.32 0.00 0.00 175.29 174.53 1f11 n SER 180 N 3.71 0.00 -1.34 12.60 7.64 -1.26 -0.46 113.62 134.51 1f11 n SER 180 Ca -0.08 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.75 1f11 n SER 180 Cb 0.52 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.83 1f11 n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1f11 n ASP 183 N 6.67 2.82 -4.27 6.43 8.00 -1.26 -5.01 116.55 129.92 1f11 n ASP 183 Ca 0.00 -3.57 -0.15 0.00 0.71 0.00 0.00 54.79 51.78 1f11 n ASP 183 Cb 0.00 -0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 40.56 1f11 n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1f11 s LEU 184 N -3.13 2.53 0.17 0.64 1.43 0.40 -4.95 118.68 115.76 1f11 s LEU 184 Ca 0.42 -1.00 0.04 0.00 -1.03 0.00 0.00 54.13 52.56 1f11 s LEU 184 Cb 0.38 -0.44 -0.04 0.00 0.03 0.00 0.00 46.19 46.12 1f11 s LEU 184 CO -0.04 -0.28 0.22 -0.31 0.23 0.00 0.00 176.35 176.18 1f11 s TYR 185 N -3.15 3.33 -0.17 0.29 2.02 0.11 -0.74 117.35 119.04 1f11 s TYR 185 Ca 0.18 0.04 -0.09 0.00 -0.37 0.00 0.00 57.07 56.83 1f11 s TYR 185 Cb 0.01 -1.58 0.06 0.00 -0.40 0.00 0.00 41.96 40.05 1f11 s TYR 185 CO 0.02 0.51 0.40 0.99 -1.57 0.00 0.00 175.55 175.90 1f11 s THR 186 N -1.78 -0.06 0.19 -0.71 2.01 -0.33 -0.48 115.64 114.48 1f11 s THR 186 Ca 0.33 0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.41 1f11 s THR 186 Cb -0.10 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1f11 s THR 186 CO 0.26 0.04 0.14 -1.48 -0.69 0.00 0.00 174.62 172.90 1f11 s LEU 187 N 1.45 1.21 -0.02 4.42 0.05 -0.51 -0.62 118.68 124.65 1f11 s LEU 187 Ca -0.09 -1.32 -0.17 0.00 0.05 0.00 0.00 54.13 52.60 1f11 s LEU 187 Cb -0.09 0.47 0.03 0.00 -2.05 0.00 0.00 46.19 44.55 1f11 s LEU 187 CO -0.12 -0.84 0.36 -0.94 -0.55 0.00 0.00 176.35 174.26 1f11 s SER 188 N -3.13 -0.26 0.10 1.48 1.04 -1.26 -1.44 113.70 110.23 1f11 s SER 188 Ca 0.35 0.19 0.07 0.00 0.48 0.00 0.00 55.95 57.04 1f11 s SER 188 Cb 0.07 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.51 1f11 s SER 188 CO 0.10 -0.46 -0.17 -0.55 0.98 0.00 0.00 173.24 173.13 1f11 s SER 189 N -1.27 2.16 0.10 7.02 0.15 -0.32 -1.42 113.70 120.13 1f11 s SER 189 Ca -0.13 -0.70 0.03 0.00 0.70 0.00 0.00 55.95 55.86 1f11 s SER 189 Cb -0.04 -0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.13 1f11 s SER 189 CO 0.05 -0.03 -0.09 -0.94 1.20 0.00 0.00 173.24 173.43 1f11 s SER 190 N -1.99 1.37 -0.08 5.45 1.04 -0.51 -0.30 113.70 118.68 1f11 s SER 190 Ca 0.05 -0.86 -0.04 0.00 0.48 0.00 0.00 55.95 55.58 1f11 s SER 190 Cb -0.09 0.03 0.04 0.00 0.10 0.00 0.00 66.02 66.10 1f11 s SER 190 CO 0.04 -0.31 0.18 0.54 0.98 0.00 0.00 173.24 174.67 1f11 s VAL 191 N -2.71 -0.04 -0.26 5.02 0.11 0.47 -0.83 120.40 122.17 1f11 s VAL 191 Ca 0.07 0.13 -0.11 0.00 -2.93 0.00 0.00 61.98 59.14 1f11 s VAL 191 Cb -0.01 -0.29 -0.05 0.00 -1.53 0.00 0.00 36.38 34.50 1f11 s VAL 191 CO -0.01 0.05 0.17 -0.89 -3.33 0.00 0.00 175.10 171.09 1f11 s THR 192 N 0.96 5.30 0.10 5.04 2.01 -1.12 -1.00 115.64 126.92 1f11 s THR 192 Ca -0.07 0.16 0.05 0.00 0.31 0.00 0.00 61.69 62.15 1f11 s THR 192 Cb -0.09 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 1f11 s THR 192 CO -0.05 0.30 -0.14 0.68 -0.69 0.00 0.00 174.62 174.72 1f11 s VAL 193 N 1.39 1.22 0.58 3.82 -7.23 0.74 -4.67 120.40 116.25 1f11 s VAL 193 Ca 0.07 -1.55 -0.20 0.00 -1.81 0.00 0.00 61.98 58.49 1f11 s VAL 193 Cb -0.15 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 1f11 s VAL 193 CO 0.07 -0.35 1.29 -2.84 -0.31 0.00 0.00 175.10 172.96 1f11 s PRO 194 N -2.32 2.99 0.51 4.82 0.02 -1.26 0.91 135.00 140.68 1f11 s PRO 194 Ca 0.04 2.06 0.28 0.00 0.02 0.00 0.00 61.00 63.40 1f11 s PRO 194 Cb -0.07 -2.08 1.39 0.00 0.02 0.00 0.00 34.50 33.76 1f11 s PRO 194 CO 0.02 -1.25 1.89 0.77 -0.33 0.00 0.00 177.00 178.10 1f11 h SER 195 N 1.13 0.09 0.43 2.53 0.02 -1.81 -1.81 113.55 114.13 1f11 h SER 195 Ca -0.51 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.44 1f11 h SER 195 Cb 1.31 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.84 1f11 h SER 195 CO 0.56 0.03 -0.29 0.28 -1.14 0.00 0.00 176.83 176.28 1f11 h SER 196 N 0.09 -0.73 0.00 3.07 0.02 -1.89 -3.34 113.55 110.76 1f11 h SER 196 Ca 0.43 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1f11 h SER 196 Cb 1.55 0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.31 1f11 h SER 196 CO -0.05 -0.43 0.00 -2.65 -1.14 0.00 0.00 176.83 172.57 1f11 n PRO 199 N -4.11 0.00 -3.57 3.45 -0.02 -0.68 -4.00 135.00 126.06 1f11 n PRO 199 Ca -0.08 0.26 -0.30 0.00 -2.02 0.00 0.00 63.50 61.35 1f11 n PRO 199 Cb 0.29 -0.64 -0.04 0.00 -0.02 0.00 0.00 33.50 33.08 1f11 n PRO 199 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1f11 s ARG 200 N -0.67 3.64 0.00 -0.52 3.52 -1.25 0.13 118.95 123.81 1f11 s ARG 200 Ca 0.00 -0.04 0.15 0.00 -0.13 0.00 0.00 55.73 55.71 1f11 s ARG 200 Cb 0.00 -2.77 0.88 0.00 -1.56 0.00 0.00 34.95 31.49 1f11 s ARG 200 CO 0.00 0.39 1.53 -0.35 -0.81 0.00 0.00 175.30 176.05 1f11 n PRO 202 N -0.23 0.95 0.00 5.12 -0.05 -1.26 -4.66 135.00 134.87 1f11 n PRO 202 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.43 1f11 n PRO 202 Cb 0.52 -1.24 0.00 0.00 -0.05 0.00 0.00 33.50 32.73 1f11 n PRO 202 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 175.50 175.88 1f11 n SER 203 N -0.74 0.00 -4.77 3.54 7.64 0.00 -4.72 113.62 114.57 1f11 n SER 203 Ca 0.11 0.54 -0.39 0.00 1.01 0.00 0.00 58.87 60.14 1f11 n SER 203 Cb 0.05 -0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.19 1f11 n SER 203 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1f11 s GLU 204 N -1.15 4.16 0.38 1.43 2.02 0.34 -4.99 118.70 120.90 1f11 s GLU 204 Ca 0.00 1.84 -0.27 0.00 0.02 0.00 0.00 54.97 56.56 1f11 s GLU 204 Cb 0.00 -2.76 -0.10 0.00 0.10 0.00 0.00 34.13 31.37 1f11 s GLU 204 CO 0.00 -0.23 1.35 0.99 0.02 0.00 0.00 175.26 177.40 1f11 s THR 205 N -1.38 2.48 -0.17 3.63 2.01 -1.26 -4.21 115.64 116.74 1f11 s THR 205 Ca 0.55 0.45 -0.01 0.00 0.31 0.00 0.00 61.69 62.99 1f11 s THR 205 Cb -0.31 -3.28 0.05 0.00 0.01 0.00 0.00 72.50 68.97 1f11 s THR 205 CO 0.39 0.09 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.70 1f11 s VAL 206 N -1.19 0.90 0.32 3.82 1.01 -1.26 -5.02 120.40 118.97 1f11 s VAL 206 Ca 0.54 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 62.06 1f11 s VAL 206 Cb -0.41 -1.17 -0.06 0.00 0.00 0.00 0.00 36.38 34.75 1f11 s VAL 206 CO 0.53 0.04 -0.09 -0.89 0.00 0.00 0.00 175.10 174.69 1f11 s THR 207 N 1.72 2.50 -0.05 3.92 2.01 -1.26 -1.26 115.64 123.21 1f11 s THR 207 Ca 0.00 -2.19 0.04 0.00 0.31 0.00 0.00 61.69 59.85 1f11 s THR 207 Cb -0.16 -2.59 -0.00 0.00 0.01 0.00 0.00 72.50 69.76 1f11 s THR 207 CO -0.07 -0.27 -0.17 0.00 -0.69 0.00 0.00 174.62 173.42 1f11 s ASN 209 N 0.14 4.51 -0.10 0.00 -0.87 0.26 -1.34 114.94 117.54 1f11 s ASN 209 Ca -0.06 -1.64 -0.11 0.00 -1.57 0.00 0.00 52.86 49.47 1f11 s ASN 209 Cb -0.12 -1.54 -0.05 0.00 -0.02 0.00 0.00 41.25 39.52 1f11 s ASN 209 CO 0.03 -0.26 0.26 -0.69 -2.57 0.00 0.00 177.10 173.86 1f11 s VAL 210 N 1.06 5.31 -0.05 1.60 1.01 0.64 -1.21 120.40 128.76 1f11 s VAL 210 Ca -0.02 0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.45 1f11 s VAL 210 Cb -0.20 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.65 1f11 s VAL 210 CO -0.06 0.54 -0.04 0.00 0.00 0.00 0.00 175.10 175.53 1f11 s ALA 211 N -0.58 0.74 -0.53 5.51 0.00 -0.33 0.22 121.76 126.79 1f11 s ALA 211 Ca 0.18 -0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.07 1f11 s ALA 211 Cb -0.14 -0.51 0.13 0.00 0.00 0.00 0.00 23.12 22.61 1f11 s ALA 211 CO 0.06 -0.11 0.28 -1.58 0.00 0.00 0.00 175.76 174.41 1f11 s HIS 212 N 1.13 3.12 0.12 0.00 2.46 0.55 -0.69 115.29 121.99 1f11 s HIS 212 Ca -0.08 -3.14 -0.23 0.00 0.47 0.00 0.00 55.06 52.09 1f11 s HIS 212 Cb -0.14 -2.73 -0.05 0.00 -0.13 0.00 0.00 32.58 29.52 1f11 s HIS 212 CO -0.01 -0.72 1.28 -2.30 -2.47 0.00 0.00 174.74 170.51 1f11 n PRO 213 N 3.02 -0.33 -0.60 2.88 -0.02 -1.26 -1.43 135.00 137.26 1f11 n PRO 213 Ca 0.07 1.25 0.48 0.00 -2.02 0.00 0.00 63.50 63.28 1f11 n PRO 213 Cb 0.33 -1.85 0.73 0.00 -0.02 0.00 0.00 33.50 32.69 1f11 n PRO 213 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f11 n ALA 214 N -3.28 1.70 -1.10 3.55 0.00 -1.26 -0.42 120.51 119.70 1f11 n ALA 214 Ca 0.01 0.58 0.06 0.00 0.00 0.00 0.00 53.44 54.09 1f11 n ALA 214 Cb 0.19 -1.02 0.08 0.00 0.00 0.00 0.00 19.45 18.71 1f11 n ALA 214 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1f11 n SER 215 N -3.76 1.64 -4.24 0.00 3.41 -0.51 -4.99 113.62 105.17 1f11 n SER 215 Ca 0.40 -2.55 -0.36 0.00 -0.26 0.00 0.00 58.87 56.10 1f11 n SER 215 Cb 1.91 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 65.54 1f11 n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1f11 n SER 216 N -0.89 -2.85 -4.57 4.04 7.64 0.44 -4.89 113.62 112.54 1f11 n SER 216 Ca 0.09 -1.04 -0.40 0.00 1.01 0.00 0.00 58.87 58.53 1f11 n SER 216 Cb 0.58 -2.64 -0.09 0.00 -1.01 0.00 0.00 64.21 61.05 1f11 n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1f11 s THR 217 N -3.36 5.19 -0.15 0.44 2.01 -1.09 -4.97 115.64 113.71 1f11 s THR 217 Ca 0.68 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.93 1f11 s THR 217 Cb -0.37 -3.74 0.02 0.00 0.01 0.00 0.00 72.50 68.42 1f11 s THR 217 CO 0.94 0.04 -0.15 -0.75 -0.69 0.00 0.00 174.62 174.01 1f11 s LYS 218 N 2.00 2.35 0.04 4.92 2.36 -1.26 -0.33 119.74 129.82 1f11 s LYS 218 Ca 0.12 -0.58 0.07 0.00 -2.55 0.00 0.00 55.97 53.03 1f11 s LYS 218 Cb -0.16 -2.14 -0.02 0.00 -1.05 0.00 0.00 37.83 34.46 1f11 s LYS 218 CO 0.11 -0.23 -0.21 0.08 1.55 0.00 0.00 175.35 176.66 1f11 s VAL 219 N 1.46 1.65 -0.37 4.02 1.01 0.13 -5.00 120.40 123.30 1f11 s VAL 219 Ca 0.05 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 60.85 1f11 s VAL 219 Cb -0.13 -1.43 0.11 0.00 0.00 0.00 0.00 36.38 34.93 1f11 s VAL 219 CO -0.11 0.21 0.15 -1.81 0.00 0.00 0.00 175.10 173.55 1f11 s ASP 220 N -1.15 3.93 -0.20 3.32 1.01 -1.26 -0.26 116.67 122.06 1f11 s ASP 220 Ca 0.07 -2.10 -0.13 0.00 0.71 0.00 0.00 52.55 51.10 1f11 s ASP 220 Cb -0.09 -1.00 -0.05 0.00 1.01 0.00 0.00 42.92 42.80 1f11 s ASP 220 CO 0.02 -0.35 0.27 -0.54 0.21 0.00 0.00 175.17 174.78 1f11 s LYS 221 N 1.03 4.17 0.07 8.23 -0.14 -0.45 -4.91 119.74 127.74 1f11 s LYS 221 Ca 0.13 -0.00 -0.20 0.00 -1.36 0.00 0.00 55.97 54.54 1f11 s LYS 221 Cb -0.20 -3.50 -0.07 0.00 -1.68 0.00 0.00 37.83 32.38 1f11 s LYS 221 CO -0.13 0.10 0.59 0.21 -0.76 0.00 0.00 175.35 175.36 1f11 s LYS 222 N 0.91 4.25 -0.45 1.68 2.20 -1.26 -1.34 119.74 125.73 1f11 s LYS 222 Ca 0.14 0.78 -0.20 0.00 -0.36 0.00 0.00 55.97 56.33 1f11 s LYS 222 Cb -0.14 -3.26 0.03 0.00 -1.51 0.00 0.00 37.83 32.96 1f11 s LYS 222 CO 0.05 0.59 0.61 0.42 -0.36 0.00 0.00 175.35 176.65 1f11 s ILE 223 N -0.96 4.88 0.28 5.43 -1.09 -0.39 -4.90 121.20 124.45 1f11 s ILE 223 Ca 0.30 -0.10 0.10 0.00 -2.23 0.00 0.00 60.65 58.72 1f11 s ILE 223 Cb -0.20 -4.20 -0.05 0.00 -1.58 0.00 0.00 42.46 36.44 1f11 s ILE 223 CO 0.19 -0.62 -0.05 0.68 -1.23 0.00 0.00 174.94 173.91 1f11 s VAL 226 N 2.68 3.07 -2.20 2.92 -7.23 -1.26 -4.62 120.40 113.76 1f11 s VAL 226 Ca 0.19 -2.06 0.30 0.00 -1.81 0.00 0.00 61.98 58.61 1f11 s VAL 226 Cb -0.16 -2.69 0.77 0.00 0.56 0.00 0.00 36.38 34.86 1f11 s VAL 226 CO 0.16 -0.36 2.04 -0.81 -0.31 0.00 0.00 175.10 175.83