#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f12 s GLN 3 N 0.00 0.61 -0.42 5.55 -0.21 -1.18 -4.84 119.66 119.18 3f12 s GLN 3 Ca 0.00 -0.39 -0.21 0.00 0.02 0.00 0.00 55.36 54.78 3f12 s GLN 3 Cb 0.00 -0.38 0.02 0.00 1.00 0.00 0.00 33.01 33.65 3f12 s GLN 3 CO 0.00 -1.14 0.66 -0.51 -2.12 0.00 0.00 175.29 172.17 3f12 s LEU 4 N 1.90 4.42 -0.08 2.90 1.43 -1.26 -3.07 118.68 124.92 3f12 s LEU 4 Ca 0.14 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 3f12 s LEU 4 Cb -0.12 -2.77 0.02 0.00 0.03 0.00 0.00 46.19 43.36 3f12 s LEU 4 CO -0.13 -0.75 -0.08 -0.69 0.23 0.00 0.00 176.35 174.93 3f12 s VAL 5 N 2.85 0.93 0.46 -1.59 1.01 -1.00 -3.87 120.40 119.19 3f12 s VAL 5 Ca 0.24 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 3f12 s VAL 5 Cb -0.14 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 3f12 s VAL 5 CO 0.19 0.33 0.73 -1.61 0.00 0.00 0.00 175.10 174.73 3f12 s GLU 6 N 1.21 3.31 0.26 2.72 8.01 -1.26 -2.08 118.70 130.86 3f12 s GLU 6 Ca -0.05 -0.12 -0.15 0.00 0.01 0.00 0.00 54.97 54.66 3f12 s GLU 6 Cb -0.14 -2.46 0.00 0.00 -4.31 0.00 0.00 34.13 27.22 3f12 s GLU 6 CO -0.02 -0.23 0.56 -1.54 0.01 0.00 0.00 175.26 174.04 3f12 s SER 7 N -4.15 -0.13 0.00 -0.19 1.04 -0.86 -4.84 113.70 104.56 3f12 s SER 7 Ca 0.47 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 56.06 3f12 s SER 7 Cb -0.10 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3f12 s SER 7 CO 0.41 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 174.02 3f12 n GLY 8 N -0.41 1.80 3.58 7.32 0.00 -1.26 -3.07 105.19 113.14 3f12 n GLY 8 Ca -0.02 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 3f12 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f12 n GLY 9 N 0.00 -0.96 0.00 -0.02 0.00 -1.26 -4.72 105.19 98.23 3f12 n GLY 9 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3f12 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f12 n GLY 10 N 0.70 -0.65 3.87 -0.02 0.00 -0.82 -4.93 105.19 103.33 3f12 n GLY 10 Ca 0.10 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 3f12 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f12 s VAL 11 N -3.00 5.37 0.07 1.61 1.01 -1.26 -2.28 120.40 121.92 3f12 s VAL 11 Ca 0.00 0.08 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 3f12 s VAL 11 Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 33.02 3f12 s VAL 11 CO 0.00 0.55 0.30 0.54 0.00 0.00 0.00 175.10 176.49 3f12 s VAL 12 N -1.08 0.09 0.30 2.92 0.11 -0.97 -4.99 120.40 116.78 3f12 s VAL 12 Ca 0.18 -0.75 0.08 0.00 -2.93 0.00 0.00 61.98 58.56 3f12 s VAL 12 Cb -0.12 -1.06 -0.04 0.00 -1.53 0.00 0.00 36.38 33.63 3f12 s VAL 12 CO 0.07 -0.41 0.12 0.00 -3.33 0.00 0.00 175.10 171.55 3f12 s GLN 13 N -3.02 2.47 -0.05 1.54 -2.07 -1.26 -2.48 119.66 114.79 3f12 s GLN 13 Ca -0.02 -1.40 -0.37 0.00 -1.82 0.00 0.00 55.36 51.75 3f12 s GLN 13 Cb 0.01 -2.26 -0.15 0.00 -1.09 0.00 0.00 33.01 29.52 3f12 s GLN 13 CO -0.06 0.23 1.65 -2.30 -1.32 0.00 0.00 175.29 173.49 3f12 n PRO 14 N -1.10 1.61 0.00 9.60 -0.02 -1.26 -1.97 135.00 141.86 3f12 n PRO 14 Ca -0.05 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3f12 n PRO 14 Cb 0.60 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3f12 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f12 n GLY 15 N 3.68 2.93 2.32 -1.23 0.00 -1.08 -5.02 105.19 106.79 3f12 n GLY 15 Ca 0.22 -0.85 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 3f12 n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f12 n ARG 16 N 0.00 -2.20 -4.21 1.61 1.74 -0.83 -3.60 116.66 109.17 3f12 n ARG 16 Ca 0.00 -0.75 -0.15 0.00 -0.77 0.00 0.00 57.85 56.18 3f12 n ARG 16 Cb 0.00 -1.23 -0.09 0.00 -1.02 0.00 0.00 32.46 30.12 3f12 n ARG 16 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3f12 s SER 17 N -2.24 0.73 0.33 0.55 1.04 -1.26 -3.15 113.70 109.70 3f12 s SER 17 Ca 0.35 -1.51 -0.03 0.00 0.48 0.00 0.00 55.95 55.23 3f12 s SER 17 Cb -0.06 0.47 -0.00 0.00 0.10 0.00 0.00 66.02 66.53 3f12 s SER 17 CO 0.29 -0.96 0.46 -0.76 0.98 0.00 0.00 173.24 173.25 3f12 s LEU 18 N -3.23 0.96 -0.16 2.42 1.43 -0.68 -4.98 118.68 114.44 3f12 s LEU 18 Ca 0.38 -1.43 -0.10 0.00 -1.03 0.00 0.00 54.13 51.96 3f12 s LEU 18 Cb 0.05 1.44 0.05 0.00 0.03 0.00 0.00 46.19 47.76 3f12 s LEU 18 CO 0.18 -1.26 0.39 -0.60 0.23 0.00 0.00 176.35 175.28 3f12 s ARG 19 N -3.20 0.38 0.00 1.70 3.52 -1.26 -0.84 118.95 119.26 3f12 s ARG 19 Ca 0.30 0.71 0.00 0.00 -0.13 0.00 0.00 55.73 56.61 3f12 s ARG 19 Cb -0.00 0.02 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 3f12 s ARG 19 CO 0.19 -0.14 0.00 1.28 -0.81 0.00 0.00 175.30 175.82 3f12 n LEU 20 N 3.96 0.00 0.00 -0.88 4.32 -0.84 -4.45 117.00 119.11 3f12 n LEU 20 Ca -0.21 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.78 3f12 n LEU 20 Cb 0.55 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 3f12 n LEU 20 CO 0.10 0.00 0.00 -1.54 -1.22 0.00 0.00 177.39 174.73 3f12 n SER 21 N 0.00 0.00 -3.90 -1.43 3.41 -1.18 -4.69 113.62 105.84 3f12 n SER 21 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 3f12 n SER 21 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 3f12 n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f12 s ALA 23 N 1.13 3.15 0.09 0.00 0.00 -0.89 -0.84 121.76 124.41 3f12 s ALA 23 Ca 0.11 0.62 0.08 0.00 0.00 0.00 0.00 51.96 52.77 3f12 s ALA 23 Cb -0.19 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 3f12 s ALA 23 CO -0.14 -0.03 -0.18 0.00 0.00 0.00 0.00 175.76 175.41 3f12 s ALA 24 N -1.65 2.67 0.04 0.00 0.00 0.18 -2.36 121.76 120.64 3f12 s ALA 24 Ca 0.54 -1.30 -0.00 0.00 0.00 0.00 0.00 51.96 51.21 3f12 s ALA 24 Cb -0.20 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.23 3f12 s ALA 24 CO 0.26 0.59 0.06 -1.13 0.00 0.00 0.00 175.76 175.53 3f12 n SER 25 N 1.04 -0.16 0.00 0.00 3.41 -1.17 -4.87 113.62 111.87 3f12 n SER 25 Ca -0.16 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 3f12 n SER 25 Cb 0.52 0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 3f12 n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f12 n GLY 26 N -0.07 0.00 3.89 5.00 0.00 -1.26 -3.08 105.19 109.66 3f12 n GLY 26 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3f12 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3f12 s PHE 27 N -1.00 0.08 -1.15 1.61 -0.71 -1.26 -4.13 117.98 111.43 3f12 s PHE 27 Ca 0.00 -0.51 -0.14 0.00 -1.04 0.00 0.00 56.93 55.24 3f12 s PHE 27 Cb 0.00 0.71 0.17 0.00 -1.21 0.00 0.00 43.02 42.70 3f12 s PHE 27 CO 0.00 -0.97 1.35 -0.08 -1.34 0.00 0.00 175.22 174.17 3f12 s THR 28 N -2.12 5.05 0.23 -4.49 -1.32 -1.26 -4.87 115.64 106.86 3f12 s THR 28 Ca 0.22 -2.50 0.10 0.00 -1.21 0.00 0.00 61.69 58.30 3f12 s THR 28 Cb -0.03 -4.86 0.10 0.00 -1.51 0.00 0.00 72.50 66.20 3f12 s THR 28 CO 0.06 -1.56 1.16 0.15 -2.21 0.00 0.00 174.62 172.22 3f12 h PHE 29 N 7.43 0.00 0.05 9.09 3.57 -1.94 -2.38 116.94 132.76 3f12 h PHE 29 Ca 0.28 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.51 3f12 h PHE 29 Cb 0.90 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 3f12 h PHE 29 CO 1.09 0.00 -1.37 0.66 -2.23 0.00 0.00 178.31 176.46 3f12 h SER 30 N 0.00 0.18 0.00 0.41 4.64 -1.88 -3.34 113.55 113.56 3f12 h SER 30 Ca 0.00 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3f12 h SER 30 Cb 1.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3f12 h SER 30 CO 0.00 1.19 0.00 -1.20 -0.87 0.00 0.00 176.83 175.95 3f12 n SER 31 N -3.34 0.13 -4.13 4.97 7.64 -0.90 -4.39 113.62 113.61 3f12 n SER 31 Ca -0.10 -1.67 -0.12 0.00 1.01 0.00 0.00 58.87 57.99 3f12 n SER 31 Cb 1.01 -0.06 -0.11 0.00 -1.01 0.00 0.00 64.21 64.04 3f12 n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3f12 s TYR 32 N -1.85 0.83 -0.05 1.43 1.51 -1.26 -4.96 117.35 113.02 3f12 s TYR 32 Ca 0.00 -0.73 -0.17 0.00 -1.01 0.00 0.00 57.07 55.15 3f12 s TYR 32 Cb 0.00 -0.48 -0.05 0.00 -0.11 0.00 0.00 41.96 41.32 3f12 s TYR 32 CO 0.00 -0.11 0.46 0.20 -1.11 0.00 0.00 175.55 174.99 3f12 s GLY 33 N -2.44 2.47 0.44 0.71 0.00 -1.26 -3.76 107.32 103.48 3f12 s GLY 33 Ca 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 44.72 44.57 3f12 s GLY 33 CO -0.02 0.49 0.68 1.06 0.00 0.00 0.00 173.10 175.31 3f12 s MET 34 N -0.27 3.27 0.17 2.90 -1.94 0.42 -0.22 119.30 123.63 3f12 s MET 34 Ca 0.26 -0.26 0.00 0.00 -1.71 0.00 0.00 55.69 53.98 3f12 s MET 34 Cb -0.16 -2.53 -0.04 0.00 2.01 0.00 0.00 34.83 34.11 3f12 s MET 34 CO 0.13 -0.17 0.05 -1.01 -0.01 0.00 0.00 175.02 174.01 3f12 s HIS 35 N -2.56 1.11 -0.07 -0.03 3.76 -0.44 -1.60 115.29 115.47 3f12 s HIS 35 Ca 0.46 -1.18 -0.03 0.00 -0.15 0.00 0.00 55.06 54.16 3f12 s HIS 35 Cb -0.10 -0.62 0.04 0.00 1.11 0.00 0.00 32.58 33.01 3f12 s HIS 35 CO 0.39 -0.41 0.12 -1.58 -0.85 0.00 0.00 174.74 172.42 3f12 s TRP 36 N -3.89 -0.09 0.14 1.40 0.52 -0.65 -3.05 118.94 113.32 3f12 s TRP 36 Ca 0.28 0.48 0.07 0.00 0.02 0.00 0.00 56.10 56.95 3f12 s TRP 36 Cb 0.07 -0.34 -0.04 0.00 -1.15 0.00 0.00 33.47 32.01 3f12 s TRP 36 CO 0.06 -0.24 -0.17 0.08 0.02 0.00 0.00 176.95 176.70 3f12 s VAL 37 N 2.23 1.60 0.01 4.03 1.01 0.66 0.79 120.40 130.73 3f12 s VAL 37 Ca 0.04 -1.81 -0.01 0.00 0.00 0.00 0.00 61.98 60.19 3f12 s VAL 37 Cb -0.12 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 3f12 s VAL 37 CO -0.05 -0.34 0.01 0.00 0.00 0.00 0.00 175.10 174.72 3f12 s ARG 38 N -2.70 0.22 -0.41 2.72 1.70 0.14 -0.14 118.95 120.48 3f12 s ARG 38 Ca 0.12 -0.33 -0.01 0.00 -0.47 0.00 0.00 55.73 55.04 3f12 s ARG 38 Cb -0.06 0.08 0.11 0.00 -0.57 0.00 0.00 34.95 34.52 3f12 s ARG 38 CO 0.05 -0.04 0.18 -0.65 -1.08 0.00 0.00 175.30 173.76 3f12 s GLN 39 N -0.88 1.90 -0.25 3.89 -0.21 -0.03 -2.17 119.66 121.92 3f12 s GLN 39 Ca -0.10 -1.91 -0.29 0.00 0.02 0.00 0.00 55.36 53.08 3f12 s GLN 39 Cb -0.06 -3.49 -0.03 0.00 1.00 0.00 0.00 33.01 30.43 3f12 s GLN 39 CO -0.00 -1.05 1.76 0.00 -2.12 0.00 0.00 175.29 173.88 3f12 s ALA 40 N 0.94 3.08 -0.05 6.09 0.00 -1.26 -1.38 121.76 129.19 3f12 s ALA 40 Ca 0.10 0.46 -0.05 0.00 0.00 0.00 0.00 51.96 52.47 3f12 s ALA 40 Cb -0.22 -3.94 -0.02 0.00 0.00 0.00 0.00 23.12 18.95 3f12 s ALA 40 CO -0.05 -2.28 0.21 -2.30 0.00 0.00 0.00 175.76 171.34 3f12 n PRO 41 N 8.07 0.00 0.00 0.00 -0.02 -1.26 0.04 135.00 141.83 3f12 n PRO 41 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3f12 n PRO 41 Cb 0.46 -0.16 0.00 0.00 -0.02 0.00 0.00 33.50 33.78 3f12 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f12 n GLY 42 N 0.68 3.08 0.00 -1.23 0.00 -1.26 -5.02 105.19 101.44 3f12 n GLY 42 Ca 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3f12 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f12 n LYS 43 N 0.00 1.02 0.00 1.61 4.76 0.11 -5.12 118.16 120.54 3f12 n LYS 43 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3f12 n LYS 43 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3f12 n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3f12 n GLY 44 N 4.52 2.60 3.74 0.72 0.00 -1.26 -4.77 105.19 110.74 3f12 n GLY 44 Ca 0.00 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 3f12 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f12 s LEU 45 N 0.00 4.22 -0.08 0.99 1.43 -1.26 -4.16 118.68 119.83 3f12 s LEU 45 Ca 0.00 0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.33 3f12 s LEU 45 Cb 0.00 -2.10 0.04 0.00 0.03 0.00 0.00 46.19 44.16 3f12 s LEU 45 CO 0.00 0.19 0.05 -0.70 0.23 0.00 0.00 176.35 176.12 3f12 s GLU 46 N 0.26 0.18 0.30 1.70 2.12 -0.92 -5.01 118.70 117.32 3f12 s GLU 46 Ca 0.09 0.18 -0.29 0.00 0.36 0.00 0.00 54.97 55.31 3f12 s GLU 46 Cb -0.11 -0.95 -0.10 0.00 0.26 0.00 0.00 34.13 33.23 3f12 s GLU 46 CO -0.01 -0.40 1.13 -0.46 -0.54 0.00 0.00 175.26 174.98 3f12 s TRP 47 N 2.09 3.48 -0.13 5.30 -0.00 -1.26 0.25 118.94 128.67 3f12 s TRP 47 Ca 0.04 1.66 0.06 0.00 -0.00 0.00 0.00 56.10 57.86 3f12 s TRP 47 Cb -0.13 -3.33 -0.12 0.00 -0.00 0.00 0.00 33.47 29.88 3f12 s TRP 47 CO -0.05 -0.75 -0.03 0.28 -0.00 0.00 0.00 176.95 176.41 3f12 n VAL 48 N 1.05 0.80 -3.58 5.86 0.31 0.24 -4.75 118.33 118.26 3f12 n VAL 48 Ca -0.01 -0.42 0.02 0.00 -0.01 0.00 0.00 64.34 63.93 3f12 n VAL 48 Cb 0.45 -0.83 -0.00 0.00 -0.91 0.00 0.00 33.84 32.55 3f12 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3f12 s ALA 49 N -2.28 -2.39 0.08 3.52 0.00 -1.02 -1.40 121.76 118.27 3f12 s ALA 49 Ca -0.11 1.01 -0.00 0.00 0.00 0.00 0.00 51.96 52.86 3f12 s ALA 49 Cb 0.04 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 3f12 s ALA 49 CO 0.41 -0.99 -0.01 0.54 0.00 0.00 0.00 175.76 175.71 3f12 s VAL 50 N -2.15 0.30 0.02 0.00 0.11 -0.24 -1.63 120.40 116.81 3f12 s VAL 50 Ca 0.14 -1.87 -0.14 0.00 -2.93 0.00 0.00 61.98 57.18 3f12 s VAL 50 Cb 0.06 -1.70 0.02 0.00 -1.53 0.00 0.00 36.38 33.22 3f12 s VAL 50 CO -0.05 -0.82 0.31 -0.51 -3.33 0.00 0.00 175.10 170.69 3f12 s ILE 51 N -3.88 0.07 0.00 7.04 1.10 -0.62 -3.53 121.20 121.38 3f12 s ILE 51 Ca 0.13 -0.60 0.00 0.00 -0.51 0.00 0.00 60.65 59.67 3f12 s ILE 51 Cb 0.07 -0.83 0.00 0.00 0.15 0.00 0.00 42.46 41.85 3f12 s ILE 51 CO -0.06 -0.33 0.00 -1.54 -2.11 0.00 0.00 174.94 170.91 3f12 n SER 52 N 0.82 0.51 -0.23 4.50 3.41 -1.20 -0.44 113.62 120.98 3f12 n SER 52 Ca -0.20 -0.90 -0.00 0.00 -0.26 0.00 0.00 58.87 57.51 3f12 n SER 52 Cb 0.58 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.60 3f12 n SER 52 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 3f12 h TYR 53 N 0.23 -0.44 0.00 7.33 -0.00 -1.76 -3.25 116.97 119.07 3f12 h TYR 53 Ca 0.00 0.06 -0.20 0.00 -0.00 0.00 0.00 58.73 58.60 3f12 h TYR 53 Cb 0.00 0.30 -0.04 0.00 -0.00 0.00 0.00 36.73 36.99 3f12 h TYR 53 CO 0.00 -0.31 -1.74 -3.47 -0.00 0.00 0.00 178.16 172.64 3f12 n ASP 54 N -5.46 2.60 0.00 0.10 -0.08 -1.26 -4.69 116.55 107.76 3f12 n ASP 54 Ca 0.08 -0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 3f12 n ASP 54 Cb 0.36 0.42 0.00 0.00 2.34 0.00 0.00 41.12 44.24 3f12 n ASP 54 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3f12 n GLY 55 N 2.53 0.72 0.00 0.27 0.00 -1.23 -4.86 105.19 102.62 3f12 n GLY 55 Ca -0.19 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3f12 n GLY 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3f12 n SER 56 N 0.00 0.00 -4.76 1.61 3.41 -1.26 -5.02 113.62 107.60 3f12 n SER 56 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 3f12 n SER 56 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3f12 n SER 56 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3f12 s ASN 57 N -1.83 6.81 -0.26 4.04 0.01 -1.26 -5.05 114.94 117.40 3f12 s ASN 57 Ca 0.00 0.97 -0.10 0.00 -0.71 0.00 0.00 52.86 53.02 3f12 s ASN 57 Cb 0.00 -2.30 0.11 0.00 0.41 0.00 0.00 41.25 39.47 3f12 s ASN 57 CO 0.00 0.12 0.57 -0.54 -1.51 0.00 0.00 177.10 175.74 3f12 s LYS 58 N -0.09 0.51 -0.04 -0.60 1.02 -1.26 -3.25 119.74 116.02 3f12 s LYS 58 Ca 0.27 1.28 0.07 0.00 0.02 0.00 0.00 55.97 57.60 3f12 s LYS 58 Cb -0.17 0.60 -0.02 0.00 -0.52 0.00 0.00 37.83 37.73 3f12 s LYS 58 CO 0.13 -0.21 -0.25 0.71 -0.92 0.00 0.00 175.35 174.82 3f12 s TYR 59 N 2.61 2.40 0.33 3.18 1.51 -1.23 -5.01 117.35 121.14 3f12 s TYR 59 Ca -0.05 -0.56 0.08 0.00 -1.01 0.00 0.00 57.07 55.53 3f12 s TYR 59 Cb -0.11 -1.56 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 3f12 s TYR 59 CO -0.17 -0.11 0.12 0.71 -1.11 0.00 0.00 175.55 174.99 3f12 s TYR 60 N -0.40 2.72 0.69 2.71 2.02 -1.26 -1.08 117.35 122.75 3f12 s TYR 60 Ca 0.04 -0.35 -0.11 0.00 -0.37 0.00 0.00 57.07 56.27 3f12 s TYR 60 Cb -0.12 -1.57 0.00 0.00 -0.40 0.00 0.00 41.96 39.88 3f12 s TYR 60 CO 0.01 0.39 1.08 0.00 -1.57 0.00 0.00 175.55 175.46 3f12 s ALA 61 N -2.40 2.90 0.00 3.71 0.00 -0.49 -4.92 121.76 120.55 3f12 s ALA 61 Ca 0.37 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.08 3f12 s ALA 61 Cb -0.03 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.03 3f12 s ALA 61 CO 0.22 -1.06 0.00 -0.25 0.00 0.00 0.00 175.76 174.68 3f12 n ASP 62 N -2.97 0.00 0.00 0.00 8.00 -1.26 -3.88 116.55 116.43 3f12 n ASP 62 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 3f12 n ASP 62 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 3f12 n ASP 62 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3f12 n SER 63 N 0.00 0.00 0.00 -2.24 7.64 -1.26 -4.57 113.62 113.19 3f12 n SER 63 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3f12 n SER 63 Cb 0.00 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 3f12 n SER 63 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3f12 n VAL 64 N 0.39 0.00 -1.55 0.44 0.24 -1.25 -5.01 118.33 111.59 3f12 n VAL 64 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3f12 n VAL 64 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3f12 n VAL 64 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3f12 n LYS 65 N 0.00 -3.77 -2.12 7.34 4.81 -1.26 -4.60 118.16 118.56 3f12 n LYS 65 Ca 0.00 2.91 -0.19 0.00 -0.87 0.00 0.00 58.31 60.16 3f12 n LYS 65 Cb 0.00 -3.66 -0.03 0.00 0.02 0.00 0.00 35.03 31.36 3f12 n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3f12 n GLY 66 N -2.35 0.29 1.22 3.14 0.00 -1.26 -4.35 105.19 101.88 3f12 n GLY 66 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3f12 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f12 n ARG 67 N -2.74 0.00 -3.80 1.61 1.74 -1.26 -4.96 116.66 107.25 3f12 n ARG 67 Ca -0.22 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.49 3f12 n ARG 67 Cb 0.67 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 32.04 3f12 n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3f12 s PHE 68 N -1.84 3.58 -0.20 -1.55 0.40 -1.26 -1.95 117.98 115.15 3f12 s PHE 68 Ca 0.00 0.56 -0.04 0.00 -0.60 0.00 0.00 56.93 56.85 3f12 s PHE 68 Cb 0.00 -2.03 0.09 0.00 0.51 0.00 0.00 43.02 41.58 3f12 s PHE 68 CO 0.00 0.64 0.18 -0.08 0.70 0.00 0.00 175.22 176.67 3f12 s THR 69 N -0.78 -0.25 0.44 0.64 -1.32 -1.10 -4.01 115.64 109.26 3f12 s THR 69 Ca 0.15 -0.18 -0.03 0.00 -1.21 0.00 0.00 61.69 60.43 3f12 s THR 69 Cb -0.12 -0.68 -0.03 0.00 -1.51 0.00 0.00 72.50 70.16 3f12 s THR 69 CO 0.04 -0.26 0.70 -0.51 -2.21 0.00 0.00 174.62 172.38 3f12 s ILE 70 N 2.27 4.79 0.09 5.08 2.07 -1.26 -1.38 121.20 132.85 3f12 s ILE 70 Ca 0.06 -0.12 -0.10 0.00 -1.41 0.00 0.00 60.65 59.08 3f12 s ILE 70 Cb -0.16 -3.79 0.04 0.00 0.13 0.00 0.00 42.46 38.68 3f12 s ILE 70 CO -0.13 -0.67 0.50 -1.54 -1.91 0.00 0.00 174.94 171.19 3f12 n SER 71 N -2.10 -0.86 -3.52 4.50 3.41 -0.94 -4.95 113.62 109.16 3f12 n SER 71 Ca -0.01 -1.45 -0.10 0.00 -0.26 0.00 0.00 58.87 57.04 3f12 n SER 71 Cb 0.56 1.39 -0.03 0.00 -0.26 0.00 0.00 64.21 65.87 3f12 n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f12 s ARG 72 N -2.03 0.81 -0.63 4.33 1.70 -1.26 -0.69 118.95 121.17 3f12 s ARG 72 Ca 0.11 -0.10 0.05 0.00 -0.47 0.00 0.00 55.73 55.31 3f12 s ARG 72 Cb -0.01 0.37 0.16 0.00 -0.57 0.00 0.00 34.95 34.90 3f12 s ARG 72 CO 0.03 -0.31 0.43 0.34 -1.08 0.00 0.00 175.30 174.71 3f12 s ASP 73 N -1.91 4.37 0.00 -2.89 2.15 -0.92 -4.96 116.67 112.51 3f12 s ASP 73 Ca 0.01 -3.59 0.00 0.00 0.43 0.00 0.00 52.55 49.40 3f12 s ASP 73 Cb -0.01 -1.49 0.00 0.00 -0.30 0.00 0.00 42.92 41.12 3f12 s ASP 73 CO -0.04 -0.12 0.15 0.59 -0.17 0.00 0.00 175.17 175.58 3f12 n ASN 74 N 2.31 0.00 -0.09 -0.34 3.02 -1.26 -1.82 115.26 117.07 3f12 n ASN 74 Ca 0.18 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.61 3f12 n ASN 74 Cb 0.36 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.42 3f12 n ASN 74 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3f12 n SER 75 N -0.61 2.01 -0.81 6.41 3.41 -1.26 -4.56 113.62 118.21 3f12 n SER 75 Ca 0.00 -0.07 0.07 0.00 -0.26 0.00 0.00 58.87 58.61 3f12 n SER 75 Cb 0.00 0.07 0.20 0.00 -0.26 0.00 0.00 64.21 64.22 3f12 n SER 75 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3f12 n LYS 76 N -2.93 2.95 -1.43 4.33 5.02 -0.76 -5.02 118.16 120.32 3f12 n LYS 76 Ca -0.32 -2.33 -0.13 0.00 -2.02 0.00 0.00 58.31 53.51 3f12 n LYS 76 Cb 0.92 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 34.42 3f12 n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3f12 n ASN 77 N 0.40 -4.48 -4.77 4.39 5.03 -0.88 -4.81 115.26 110.14 3f12 n ASN 77 Ca 0.16 0.29 -0.23 0.00 0.87 0.00 0.00 54.58 55.67 3f12 n ASN 77 Cb 0.58 -3.14 -0.06 0.00 -1.02 0.00 0.00 39.78 36.14 3f12 n ASN 77 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3f12 s THR 78 N -2.48 2.91 -0.07 3.41 -4.23 -1.24 0.50 115.64 114.44 3f12 s THR 78 Ca 0.00 -1.59 0.04 0.00 -1.18 0.00 0.00 61.69 58.96 3f12 s THR 78 Cb 0.00 -3.02 -0.00 0.00 1.34 0.00 0.00 72.50 70.82 3f12 s THR 78 CO 0.00 -0.12 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.54 3f12 s LEU 79 N -3.92 1.96 0.34 4.79 0.20 -0.02 -2.17 118.68 119.86 3f12 s LEU 79 Ca 0.40 -0.45 0.08 0.00 0.69 0.00 0.00 54.13 54.86 3f12 s LEU 79 Cb -0.02 -1.18 -0.04 0.00 -0.43 0.00 0.00 46.19 44.52 3f12 s LEU 79 CO 0.24 0.16 0.15 -0.31 -0.29 0.00 0.00 176.35 176.30 3f12 s TYR 80 N 0.20 2.72 -0.29 5.38 1.51 0.13 -0.29 117.35 126.70 3f12 s TYR 80 Ca -0.11 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.60 3f12 s TYR 80 Cb -0.15 -1.65 0.18 0.00 -0.11 0.00 0.00 41.96 40.23 3f12 s TYR 80 CO 0.05 0.33 0.52 -1.17 -1.11 0.00 0.00 175.55 174.17 3f12 s LEU 81 N -3.85 -1.26 -0.57 -1.29 2.96 -1.26 -2.22 118.68 111.18 3f12 s LEU 81 Ca 0.38 0.21 -0.19 0.00 -0.22 0.00 0.00 54.13 54.30 3f12 s LEU 81 Cb -0.03 1.74 0.09 0.00 0.50 0.00 0.00 46.19 48.49 3f12 s LEU 81 CO 0.23 -0.30 0.71 -1.58 -1.32 0.00 0.00 176.35 174.08 3f12 s GLN 82 N 2.73 3.08 0.26 1.98 2.00 -0.48 -1.98 119.66 127.26 3f12 s GLN 82 Ca 0.13 -1.13 -0.17 0.00 -2.00 0.00 0.00 55.36 52.19 3f12 s GLN 82 Cb -0.12 -4.21 -0.08 0.00 0.80 0.00 0.00 33.01 29.39 3f12 s GLN 82 CO -0.25 -1.47 0.71 -1.64 -0.50 0.00 0.00 175.29 172.14 3f12 s MET 83 N 2.82 4.11 0.11 1.67 -1.94 -0.02 -2.72 119.30 123.33 3f12 s MET 83 Ca 0.14 0.74 -0.16 0.00 -1.71 0.00 0.00 55.69 54.70 3f12 s MET 83 Cb -0.22 -2.68 0.03 0.00 2.01 0.00 0.00 34.83 33.98 3f12 s MET 83 CO 0.08 0.29 0.38 -0.80 -0.01 0.00 0.00 175.02 174.96 3f12 s ASN 84 N -1.95 -0.20 0.00 3.03 0.01 -0.82 -1.68 114.94 113.32 3f12 s ASN 84 Ca 0.48 -0.30 0.00 0.00 -0.71 0.00 0.00 52.86 52.32 3f12 s ASN 84 Cb -0.14 0.45 0.00 0.00 0.41 0.00 0.00 41.25 41.97 3f12 s ASN 84 CO 0.19 -0.81 0.00 -0.24 -1.51 0.00 0.00 177.10 174.74 3f12 n SER 85 N -0.08 -3.69 -3.44 -1.22 2.88 -1.21 -4.58 113.62 102.27 3f12 n SER 85 Ca -0.16 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 56.96 3f12 n SER 85 Cb 0.63 -1.69 -0.04 0.00 -0.75 0.00 0.00 64.21 62.36 3f12 n SER 85 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3f12 n LEU 86 N 0.00 -0.51 -4.59 2.46 4.77 -1.19 -4.56 117.00 113.38 3f12 n LEU 86 Ca 0.00 0.89 -0.28 0.00 -0.03 0.00 0.00 56.01 56.59 3f12 n LEU 86 Cb 0.18 -0.72 -0.08 0.00 -2.33 0.00 0.00 43.42 40.47 3f12 n LEU 86 CO 0.00 -1.92 -0.20 -0.13 -1.33 0.00 0.00 177.39 173.81 3f12 s ARG 87 N -0.41 2.03 0.05 3.23 0.52 -1.26 -2.62 118.95 120.49 3f12 s ARG 87 Ca 0.59 -2.27 -0.30 0.00 -0.52 0.00 0.00 55.73 53.23 3f12 s ARG 87 Cb -0.84 -0.83 -0.18 0.00 0.52 0.00 0.00 34.95 33.62 3f12 s ARG 87 CO 0.44 -0.48 1.49 0.00 0.02 0.00 0.00 175.30 176.77 3f12 h ALA 88 N 1.64 -0.80 -1.18 2.13 0.00 -1.94 -2.71 119.26 116.39 3f12 h ALA 88 Ca -0.37 -0.19 0.41 0.00 0.00 0.00 0.00 54.91 54.76 3f12 h ALA 88 Cb 1.29 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 19.26 3f12 h ALA 88 CO 0.60 -0.90 0.75 -1.91 0.00 0.00 0.00 179.25 177.79 3f12 n GLU 89 N -5.40 -0.03 0.08 0.00 2.13 -1.26 0.13 120.64 116.29 3f12 n GLU 89 Ca -0.13 1.10 0.11 0.00 0.66 0.00 0.00 57.16 58.91 3f12 n GLU 89 Cb 0.34 -2.15 0.45 0.00 0.27 0.00 0.00 31.44 30.34 3f12 n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3f12 n ASP 90 N -4.48 0.45 -4.51 4.31 8.00 -1.02 -4.79 116.55 114.51 3f12 n ASP 90 Ca 0.35 0.58 -0.50 0.00 0.71 0.00 0.00 54.79 55.93 3f12 n ASP 90 Cb 1.35 -0.69 -0.06 0.00 -0.02 0.00 0.00 41.12 41.70 3f12 n ASP 90 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3f12 n THR 91 N -1.97 0.26 -3.64 -3.53 5.66 0.35 -4.83 114.28 106.59 3f12 n THR 91 Ca 0.04 -0.24 -0.00 0.00 -3.05 0.00 0.00 64.05 60.79 3f12 n THR 91 Cb 0.27 -1.73 -0.01 0.00 -1.55 0.00 0.00 70.33 67.32 3f12 n THR 91 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3f12 s ALA 92 N 6.74 -2.09 -0.25 1.79 0.00 0.67 -4.14 121.76 124.49 3f12 s ALA 92 Ca 1.06 0.70 -0.19 0.00 0.00 0.00 0.00 51.96 53.53 3f12 s ALA 92 Cb -0.81 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 3f12 s ALA 92 CO 0.49 -0.98 0.55 0.08 0.00 0.00 0.00 175.76 175.90 3f12 s VAL 93 N -2.62 5.05 -0.20 0.00 1.01 -0.48 -0.65 120.40 122.51 3f12 s VAL 93 Ca 0.13 0.98 -0.14 0.00 0.00 0.00 0.00 61.98 62.95 3f12 s VAL 93 Cb 0.03 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3f12 s VAL 93 CO -0.03 0.08 0.32 -0.31 0.00 0.00 0.00 175.10 175.16 3f12 s TYR 94 N 2.27 3.38 0.13 5.22 2.02 0.19 -0.85 117.35 129.70 3f12 s TYR 94 Ca 0.23 0.52 0.08 0.00 -0.37 0.00 0.00 57.07 57.53 3f12 s TYR 94 Cb -0.16 -2.42 -0.04 0.00 -0.40 0.00 0.00 41.96 38.94 3f12 s TYR 94 CO 0.09 0.06 -0.11 0.71 -1.57 0.00 0.00 175.55 174.74 3f12 s TYR 95 N 1.06 2.69 -0.17 2.71 2.02 0.80 -1.27 117.35 125.18 3f12 s TYR 95 Ca 0.16 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.67 3f12 s TYR 95 Cb -0.14 -1.38 0.04 0.00 -0.40 0.00 0.00 41.96 40.08 3f12 s TYR 95 CO 0.06 0.44 -0.08 0.00 -1.57 0.00 0.00 175.55 174.41 3f12 s ALA 97 N 1.54 3.55 0.26 0.00 0.00 -1.17 -3.29 121.76 122.65 3f12 s ALA 97 Ca 0.00 -1.22 -0.19 0.00 0.00 0.00 0.00 51.96 50.55 3f12 s ALA 97 Cb -0.15 -1.34 -0.09 0.00 0.00 0.00 0.00 23.12 21.54 3f12 s ALA 97 CO -0.08 0.51 0.75 0.15 0.00 0.00 0.00 175.76 177.08 3f12 s LYS 98 N -3.08 4.21 0.36 0.00 1.02 0.39 -1.33 119.74 121.31 3f12 s LYS 98 Ca 0.31 0.85 -0.06 0.00 0.02 0.00 0.00 55.97 57.09 3f12 s LYS 98 Cb -0.10 -2.74 -0.05 0.00 -0.52 0.00 0.00 37.83 34.42 3f12 s LYS 98 CO 0.23 0.32 0.65 0.34 -0.92 0.00 0.00 175.35 175.97 3f12 s ASP 99 N -1.82 6.42 -0.11 2.83 2.15 0.69 -2.66 116.67 124.17 3f12 s ASP 99 Ca 0.47 0.83 -0.26 0.00 0.43 0.00 0.00 52.55 54.02 3f12 s ASP 99 Cb -0.15 -2.20 -0.23 0.00 -0.30 0.00 0.00 42.92 40.05 3f12 s ASP 99 CO 0.20 -0.33 0.83 1.23 -0.17 0.00 0.00 175.17 176.93 3f12 h GLY 100 N 1.20 -0.01 0.00 2.66 0.00 -1.55 -3.41 103.07 101.96 3f12 h GLY 100 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3f12 h GLY 100 CO 0.64 -0.01 0.00 -1.14 0.00 0.00 0.00 176.54 176.04 3f12 n SER 109 N -4.69 0.00 -0.19 0.19 3.41 -1.26 -4.74 113.62 106.34 3f12 n SER 109 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 3f12 n SER 109 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 3f12 n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f12 n GLY 110 N 0.00 1.02 2.70 5.00 0.00 -1.26 -5.04 105.19 107.61 3f12 n GLY 110 Ca 0.00 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 3f12 n GLY 110 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f12 s LEU 111 N -0.38 2.91 -1.10 0.99 2.96 -1.26 -5.03 118.68 117.78 3f12 s LEU 111 Ca 0.00 -2.90 -0.24 0.00 -0.22 0.00 0.00 54.13 50.76 3f12 s LEU 111 Cb 0.00 -1.07 -0.13 0.00 0.50 0.00 0.00 46.19 45.49 3f12 s LEU 111 CO 0.00 -0.22 2.03 -0.76 -1.32 0.00 0.00 176.35 176.08 3f12 s LEU 112 N -0.01 2.82 0.00 -0.68 1.02 -1.25 -1.43 118.68 119.15 3f12 s LEU 112 Ca 0.21 -1.22 0.23 0.00 0.02 0.00 0.00 54.13 53.37 3f12 s LEU 112 Cb -0.17 -2.59 1.26 0.00 0.02 0.00 0.00 46.19 44.72 3f12 s LEU 112 CO -0.05 -3.66 1.75 -0.90 0.02 0.00 0.00 176.35 173.51 3f12 n ASP 113 N 16.38 0.00 -3.66 2.29 5.75 -1.09 -4.69 116.55 131.54 3f12 n ASP 113 Ca 0.43 -0.37 -0.07 0.00 -0.01 0.00 0.00 54.79 54.77 3f12 n ASP 113 Cb 0.46 -0.15 -0.08 0.00 -1.03 0.00 0.00 41.12 40.33 3f12 n ASP 113 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3f12 s TYR 114 N -2.30 -0.97 0.54 2.11 2.02 -1.26 -4.99 117.35 112.51 3f12 s TYR 114 Ca 0.28 1.89 0.05 0.00 -0.37 0.00 0.00 57.07 58.92 3f12 s TYR 114 Cb 0.16 0.54 0.04 0.00 -0.40 0.00 0.00 41.96 42.29 3f12 s TYR 114 CO 0.31 -0.50 0.40 -1.58 -1.57 0.00 0.00 175.55 172.61 3f12 s TRP 115 N 1.93 1.63 0.43 2.71 0.52 -1.26 -0.46 118.94 124.44 3f12 s TRP 115 Ca -0.08 -0.84 0.06 0.00 0.02 0.00 0.00 56.10 55.26 3f12 s TRP 115 Cb -0.08 -1.92 -0.06 0.00 -1.15 0.00 0.00 33.47 30.26 3f12 s TRP 115 CO -0.17 -0.48 0.04 0.20 0.02 0.00 0.00 176.95 176.56 3f12 s GLY 116 N -4.28 2.58 0.00 0.98 0.00 -1.21 -4.38 107.32 101.02 3f12 s GLY 116 Ca 0.34 -1.89 0.15 0.00 0.00 0.00 0.00 44.72 43.32 3f12 s GLY 116 CO 0.21 -2.09 1.58 -1.06 0.00 0.00 0.00 173.10 171.74 3f12 n GLN 117 N -1.08 0.99 -0.54 2.90 6.02 -1.26 -4.81 117.38 119.60 3f12 n GLN 117 Ca -0.07 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.96 3f12 n GLN 117 Cb 0.67 -1.25 -0.02 0.00 1.02 0.00 0.00 30.24 30.66 3f12 n GLN 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3f12 n GLY 118 N 0.72 -3.03 3.02 1.08 0.00 -1.26 -5.05 105.19 100.68 3f12 n GLY 118 Ca 0.12 -1.24 -0.16 0.00 0.00 0.00 0.00 46.02 44.73 3f12 n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3f12 s THR 119 N -3.86 0.59 -0.21 2.61 2.01 -0.40 -4.81 115.64 111.57 3f12 s THR 119 Ca 0.00 -0.61 -0.12 0.00 0.31 0.00 0.00 61.69 61.27 3f12 s THR 119 Cb 0.00 -0.55 -0.05 0.00 0.01 0.00 0.00 72.50 71.91 3f12 s THR 119 CO 0.00 -0.04 0.24 -0.22 -0.69 0.00 0.00 174.62 173.91 3f12 s LEU 120 N -0.71 4.16 -0.18 4.42 0.20 -1.26 0.52 118.68 125.84 3f12 s LEU 120 Ca -0.01 0.30 -0.02 0.00 0.69 0.00 0.00 54.13 55.08 3f12 s LEU 120 Cb -0.05 -2.25 -0.01 0.00 -0.43 0.00 0.00 46.19 43.45 3f12 s LEU 120 CO 0.00 0.06 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.35 3f12 s VAL 121 N 0.89 3.31 -0.06 1.68 1.01 0.17 -1.95 120.40 125.45 3f12 s VAL 121 Ca 0.12 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.60 3f12 s VAL 121 Cb -0.13 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.79 3f12 s VAL 121 CO 0.04 0.47 -0.18 0.42 0.00 0.00 0.00 175.10 175.85 3f12 s THR 122 N 0.93 1.55 -0.30 3.92 -4.23 -0.96 -0.24 115.64 116.31 3f12 s THR 122 Ca -0.01 -0.76 -0.03 0.00 -1.18 0.00 0.00 61.69 59.71 3f12 s THR 122 Cb -0.15 -1.35 0.04 0.00 1.34 0.00 0.00 72.50 72.38 3f12 s THR 122 CO 0.00 0.45 0.01 -0.69 -0.54 0.00 0.00 174.62 173.85 3f12 s VAL 123 N 0.23 3.21 0.00 2.29 1.01 -1.26 -2.29 120.40 123.59 3f12 s VAL 123 Ca -0.10 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.69 3f12 s VAL 123 Cb -0.14 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.47 3f12 s VAL 123 CO 0.04 -0.04 0.00 -0.24 0.00 0.00 0.00 175.10 174.86 3f12 n SER 124 N 4.69 0.00 -3.45 3.32 2.88 -1.04 -4.68 113.62 115.34 3f12 n SER 124 Ca -0.14 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.20 3f12 n SER 124 Cb 0.45 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.79 3f12 n SER 124 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3f12 s PHE 128 N 2.50 -0.25 0.01 0.66 0.08 -1.26 -4.01 117.98 115.71 3f12 s PHE 128 Ca 0.00 -0.24 -0.06 0.00 0.12 0.00 0.00 56.93 56.75 3f12 s PHE 128 Cb 0.00 -0.54 -0.00 0.00 -0.57 0.00 0.00 43.02 41.91 3f12 s PHE 128 CO 0.00 -0.83 0.11 0.21 -0.10 0.00 0.00 175.22 174.61 3f12 s LYS 129 N 2.30 0.49 0.53 0.44 2.36 -0.82 -4.94 119.74 120.09 3f12 s LYS 129 Ca 0.09 -0.49 -0.07 0.00 -2.55 0.00 0.00 55.97 52.95 3f12 s LYS 129 Cb -0.15 0.20 -0.04 0.00 -1.05 0.00 0.00 37.83 36.79 3f12 s LYS 129 CO -0.29 -0.11 0.87 0.20 1.55 0.00 0.00 175.35 177.56 3f12 s GLY 130 N -1.54 1.55 0.55 5.54 0.00 -1.26 -1.30 107.32 110.86 3f12 s GLY 130 Ca -0.13 -0.38 -0.18 0.00 0.00 0.00 0.00 44.72 44.03 3f12 s GLY 130 CO 0.00 -0.18 1.06 -4.14 0.00 0.00 0.00 173.10 169.84 3f12 s PRO 131 N -4.89 3.48 -0.45 2.90 0.02 -1.26 -4.51 135.00 130.30 3f12 s PRO 131 Ca 0.50 1.29 -0.05 0.00 0.02 0.00 0.00 61.00 62.76 3f12 s PRO 131 Cb -0.11 -2.05 0.12 0.00 0.02 0.00 0.00 34.50 32.48 3f12 s PRO 131 CO 0.48 -0.69 0.27 -1.12 -0.33 0.00 0.00 177.00 175.61 3f12 s SER 132 N -2.42 5.41 -0.22 2.53 0.01 0.01 -4.89 113.70 114.13 3f12 s SER 132 Ca 0.66 -2.06 -0.28 0.00 1.31 0.00 0.00 55.95 55.57 3f12 s SER 132 Cb -0.17 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.17 3f12 s SER 132 CO 0.30 -0.58 0.99 -0.69 0.41 0.00 0.00 173.24 173.67 3f12 s VAL 133 N 1.11 4.73 0.06 3.43 1.01 -1.26 -2.79 120.40 126.70 3f12 s VAL 133 Ca 0.08 1.93 0.08 0.00 0.00 0.00 0.00 61.98 64.07 3f12 s VAL 133 Cb -0.24 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 3f12 s VAL 133 CO -0.03 -0.14 -0.22 -0.36 0.00 0.00 0.00 175.10 174.35 3f12 s PHE 134 N 2.99 1.93 0.35 5.22 0.08 -0.83 -4.94 117.98 122.78 3f12 s PHE 134 Ca 0.42 -0.39 -0.20 0.00 0.12 0.00 0.00 56.93 56.89 3f12 s PHE 134 Cb -0.15 -1.12 -0.10 0.00 -0.57 0.00 0.00 43.02 41.07 3f12 s PHE 134 CO 0.07 0.14 0.85 -1.25 -0.10 0.00 0.00 175.22 174.93 3f12 s PRO 135 N -1.40 4.23 -0.35 0.24 0.04 -1.26 -0.57 135.00 135.92 3f12 s PRO 135 Ca 0.08 0.98 0.01 0.00 0.04 0.00 0.00 61.00 62.12 3f12 s PRO 135 Cb -0.09 -2.47 0.10 0.00 0.04 0.00 0.00 34.50 32.07 3f12 s PRO 135 CO 0.03 0.15 0.08 -0.51 0.04 0.00 0.00 177.00 176.78 3f12 s LEU 136 N -2.74 4.75 0.96 -3.56 1.43 0.17 -4.91 118.68 114.78 3f12 s LEU 136 Ca 0.55 -2.00 -0.12 0.00 -1.03 0.00 0.00 54.13 51.53 3f12 s LEU 136 Cb -0.12 -1.69 0.10 0.00 0.03 0.00 0.00 46.19 44.51 3f12 s LEU 136 CO 0.17 -0.41 0.72 0.00 0.23 0.00 0.00 176.35 177.07 3f12 n ALA 137 N 4.39 -1.96 0.00 4.21 0.00 -1.26 -0.34 120.51 125.54 3f12 n ALA 137 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.78 3f12 n ALA 137 Cb 0.42 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.91 3f12 n ALA 137 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3f12 n THR 147 N -3.99 0.00 -4.07 0.00 5.66 -1.26 -4.54 114.28 106.08 3f12 n THR 147 Ca 0.08 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.05 3f12 n THR 147 Cb 0.53 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.30 3f12 n THR 147 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3f12 n ALA 148 N 0.00 0.08 -3.64 1.79 0.00 0.34 -4.69 120.51 114.39 3f12 n ALA 148 Ca 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 53.44 53.08 3f12 n ALA 148 Cb 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 19.45 19.58 3f12 n ALA 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f12 s ALA 149 N -2.16 -1.87 0.30 0.00 0.00 -1.26 -2.11 121.76 114.66 3f12 s ALA 149 Ca 0.03 2.39 -0.01 0.00 0.00 0.00 0.00 51.96 54.38 3f12 s ALA 149 Cb 0.00 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 3f12 s ALA 149 CO 0.02 -0.42 0.35 -0.48 0.00 0.00 0.00 175.76 175.23 3f12 s LEU 150 N 1.73 1.15 0.00 0.00 0.05 -0.66 -4.78 118.68 116.18 3f12 s LEU 150 Ca -0.10 -1.47 0.00 0.00 0.05 0.00 0.00 54.13 52.61 3f12 s LEU 150 Cb -0.06 1.03 0.00 0.00 -2.05 0.00 0.00 46.19 45.11 3f12 s LEU 150 CO -0.20 -1.12 0.00 0.61 -0.55 0.00 0.00 176.35 175.10 3f12 n GLY 151 N -0.49 -1.32 3.38 -3.48 0.00 0.53 -0.15 105.19 103.65 3f12 n GLY 151 Ca 0.03 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 3f12 n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f12 s LEU 153 N -1.69 4.63 -0.45 0.00 0.20 0.27 -2.21 118.68 119.41 3f12 s LEU 153 Ca 0.13 -1.70 -0.24 0.00 0.69 0.00 0.00 54.13 53.02 3f12 s LEU 153 Cb -0.10 -1.77 0.03 0.00 -0.43 0.00 0.00 46.19 43.92 3f12 s LEU 153 CO 0.05 -0.41 0.81 -0.69 -0.29 0.00 0.00 176.35 175.82 3f12 s VAL 154 N 1.18 4.61 0.02 1.68 1.01 -0.83 -1.96 120.40 126.11 3f12 s VAL 154 Ca 0.03 0.51 0.06 0.00 0.00 0.00 0.00 61.98 62.57 3f12 s VAL 154 Cb -0.21 -4.34 -0.02 0.00 0.00 0.00 0.00 36.38 31.81 3f12 s VAL 154 CO -0.03 -0.74 -0.19 -0.75 0.00 0.00 0.00 175.10 173.39 3f12 s LYS 155 N 3.38 1.37 -0.29 2.72 2.20 -1.12 -0.94 119.74 127.07 3f12 s LYS 155 Ca 0.31 -0.80 -0.06 0.00 -0.36 0.00 0.00 55.97 55.06 3f12 s LYS 155 Cb -0.12 -1.41 0.01 0.00 -1.51 0.00 0.00 37.83 34.81 3f12 s LYS 155 CO 0.23 0.37 0.17 -0.25 -0.36 0.00 0.00 175.35 175.52 3f12 n ASP 156 N 2.16 -7.59 -3.78 1.43 8.00 -0.61 -0.81 116.55 115.34 3f12 n ASP 156 Ca -0.16 0.96 -0.11 0.00 0.71 0.00 0.00 54.79 56.18 3f12 n ASP 156 Cb 0.54 -4.43 -0.08 0.00 -0.02 0.00 0.00 41.12 37.13 3f12 n ASP 156 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3f12 s TYR 157 N -1.72 -0.05 -0.17 1.24 1.13 -0.88 -4.02 117.35 112.89 3f12 s TYR 157 Ca 0.08 -0.12 -0.14 0.00 -1.41 0.00 0.00 57.07 55.48 3f12 s TYR 157 Cb -0.02 0.06 0.05 0.00 -1.10 0.00 0.00 41.96 40.95 3f12 s TYR 157 CO 0.65 -0.49 0.43 0.12 -2.51 0.00 0.00 175.55 173.76 3f12 s PHE 158 N -2.62 -0.51 0.00 -3.49 5.36 -0.42 -1.01 117.98 115.29 3f12 s PHE 158 Ca -0.05 1.20 0.00 0.00 -0.96 0.00 0.00 56.93 57.13 3f12 s PHE 158 Cb -0.01 0.19 0.00 0.00 -0.34 0.00 0.00 43.02 42.86 3f12 s PHE 158 CO -0.04 -0.26 0.00 -0.35 -1.46 0.00 0.00 175.22 173.12 3f12 n PRO 159 N 3.13 3.56 -3.41 10.12 -0.04 -1.26 -1.94 135.00 145.16 3f12 n PRO 159 Ca -0.15 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.10 3f12 n PRO 159 Cb 0.57 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.02 3f12 n PRO 159 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3f12 s GLU 160 N 4.17 2.51 0.22 0.54 2.12 -1.26 -4.88 118.70 122.12 3f12 s GLU 160 Ca 0.00 -1.57 0.03 0.00 0.36 0.00 0.00 54.97 53.80 3f12 s GLU 160 Cb 0.00 -2.46 0.04 0.00 0.26 0.00 0.00 34.13 31.97 3f12 s GLU 160 CO 0.00 -0.38 0.31 -0.35 -0.54 0.00 0.00 175.26 174.29 3f12 n PRO 161 N -1.76 0.82 -4.42 4.30 -0.04 -1.26 -4.92 135.00 127.72 3f12 n PRO 161 Ca 0.06 -1.17 -0.20 0.00 -0.04 0.00 0.00 63.50 62.14 3f12 n PRO 161 Cb 0.62 -0.10 -0.10 0.00 -0.04 0.00 0.00 33.50 33.87 3f12 n PRO 161 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3f12 s VAL 162 N -0.40 1.21 -0.19 0.52 -7.23 -1.26 -4.59 120.40 108.47 3f12 s VAL 162 Ca 0.23 -2.03 -0.10 0.00 -1.81 0.00 0.00 61.98 58.28 3f12 s VAL 162 Cb -0.02 -2.65 0.06 0.00 0.56 0.00 0.00 36.38 34.34 3f12 s VAL 162 CO 0.15 -0.11 0.44 0.42 -0.31 0.00 0.00 175.10 175.69 3f12 s THR 163 N -3.29 -0.09 -0.16 5.32 -4.23 -1.23 -5.03 115.64 106.93 3f12 s THR 163 Ca 0.34 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 3f12 s THR 163 Cb 0.07 -0.66 0.03 0.00 1.34 0.00 0.00 72.50 73.28 3f12 s THR 163 CO 0.14 0.04 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.44 3f12 s VAL 164 N 1.55 1.56 0.33 2.29 1.01 -1.25 -2.09 120.40 123.80 3f12 s VAL 164 Ca -0.09 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.24 3f12 s VAL 164 Cb -0.08 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3f12 s VAL 164 CO -0.14 0.36 0.29 -0.44 0.00 0.00 0.00 175.10 175.18 3f12 s SER 165 N 1.47 5.32 -0.26 3.32 0.01 0.27 -4.87 113.70 118.96 3f12 s SER 165 Ca 0.03 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.82 3f12 s SER 165 Cb -0.14 -1.00 0.07 0.00 0.21 0.00 0.00 66.02 65.16 3f12 s SER 165 CO -0.10 -0.34 0.01 0.26 0.41 0.00 0.00 173.24 173.48 3f12 s TRP 166 N -2.29 2.23 -0.45 2.43 0.52 -1.26 0.18 118.94 120.30 3f12 s TRP 166 Ca 0.41 -1.79 -0.03 0.00 0.02 0.00 0.00 56.10 54.71 3f12 s TRP 166 Cb -0.06 -1.71 0.00 0.00 -1.15 0.00 0.00 33.47 30.55 3f12 s TRP 166 CO 0.27 -0.80 0.39 0.09 0.02 0.00 0.00 176.95 176.92 3f12 n ASN 167 N 4.71 -3.32 -2.12 2.95 4.13 0.10 -0.43 115.26 121.27 3f12 n ASN 167 Ca -0.07 -0.19 -0.21 0.00 1.68 0.00 0.00 54.58 55.80 3f12 n ASN 167 Cb 0.44 -2.04 -0.03 0.00 -1.54 0.00 0.00 39.78 36.61 3f12 n ASN 167 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3f12 n SER 168 N -0.22 -5.76 0.00 6.41 7.64 -1.26 -1.91 113.62 118.52 3f12 n SER 168 Ca -0.01 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.02 3f12 n SER 168 Cb 0.52 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 58.86 3f12 n SER 168 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3f12 n GLY 169 N -0.84 0.63 0.09 0.23 0.00 -1.24 -4.98 105.19 99.09 3f12 n GLY 169 Ca -0.23 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 3f12 n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f12 h ALA 170 N 0.00 0.09 -1.83 4.61 0.00 -1.37 -3.43 119.26 117.34 3f12 h ALA 170 Ca 0.00 -0.80 -0.62 0.00 0.00 0.00 0.00 54.91 53.49 3f12 h ALA 170 Cb 0.00 0.28 -0.13 0.00 0.00 0.00 0.00 17.79 17.95 3f12 h ALA 170 CO 0.00 0.36 0.53 -1.17 0.00 0.00 0.00 179.25 178.97 3f12 s LEU 171 N -7.98 4.17 0.00 0.00 2.96 0.43 -4.76 118.68 113.50 3f12 s LEU 171 Ca -0.21 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.29 3f12 s LEU 171 Cb 0.01 -2.79 0.00 0.00 0.50 0.00 0.00 46.19 43.91 3f12 s LEU 171 CO 0.69 -1.21 0.00 0.41 -1.32 0.00 0.00 176.35 174.93 3f12 n THR 172 N 6.15 0.00 -2.27 3.68 -1.04 -1.26 -4.09 114.28 115.44 3f12 n THR 172 Ca 0.01 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.59 3f12 n THR 172 Cb 0.47 -0.51 -0.02 0.00 -1.82 0.00 0.00 70.33 68.45 3f12 n THR 172 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3f12 s SER 173 N -3.96 6.43 0.00 8.00 0.01 -1.26 -2.85 113.70 120.07 3f12 s SER 173 Ca 0.00 1.26 0.00 0.00 1.31 0.00 0.00 55.95 58.52 3f12 s SER 173 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 3f12 s SER 173 CO 0.00 -1.27 0.00 0.61 0.41 0.00 0.00 173.24 172.99 3f12 n GLY 174 N 4.70 1.14 3.83 3.44 0.00 -1.26 -4.78 105.19 112.25 3f12 n GLY 174 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3f12 n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f12 s VAL 175 N -2.00 5.36 -0.38 1.61 1.01 -1.13 -1.92 120.40 122.95 3f12 s VAL 175 Ca 0.00 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3f12 s VAL 175 Cb 0.00 -3.35 0.14 0.00 0.00 0.00 0.00 36.38 33.18 3f12 s VAL 175 CO 0.00 0.59 0.23 -1.00 0.00 0.00 0.00 175.10 174.92 3f12 s HIS 176 N -0.77 0.98 -0.34 5.22 3.76 -0.17 -4.99 115.29 118.98 3f12 s HIS 176 Ca 0.13 -1.85 -0.29 0.00 -0.15 0.00 0.00 55.06 52.91 3f12 s HIS 176 Cb -0.12 -1.07 0.02 0.00 1.11 0.00 0.00 32.58 32.52 3f12 s HIS 176 CO 0.03 -0.82 1.08 0.99 -0.85 0.00 0.00 174.74 175.17 3f12 s THR 177 N 0.81 4.47 0.29 1.30 2.01 -1.26 -2.53 115.64 120.73 3f12 s THR 177 Ca 0.20 1.66 -0.28 0.00 0.31 0.00 0.00 61.69 63.58 3f12 s THR 177 Cb -0.20 -4.44 -0.09 0.00 0.01 0.00 0.00 72.50 67.78 3f12 s THR 177 CO -0.02 -0.55 0.97 -0.36 -0.69 0.00 0.00 174.62 173.97 3f12 s PHE 178 N 3.74 3.77 0.68 4.92 0.08 0.14 -4.98 117.98 126.34 3f12 s PHE 178 Ca 0.45 1.82 -0.17 0.00 0.12 0.00 0.00 56.93 59.16 3f12 s PHE 178 Cb -0.12 -3.01 0.00 0.00 -0.57 0.00 0.00 43.02 39.33 3f12 s PHE 178 CO 0.17 0.16 1.19 -2.30 -0.10 0.00 0.00 175.22 174.34 3f12 n PRO 179 N 0.98 0.84 -2.20 0.24 -0.02 -1.26 -4.38 135.00 129.20 3f12 n PRO 179 Ca 0.00 0.35 -0.27 0.00 -2.02 0.00 0.00 63.50 61.56 3f12 n PRO 179 Cb 0.48 -2.42 0.12 0.00 -0.02 0.00 0.00 33.50 31.66 3f12 n PRO 179 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f12 s ALA 180 N -1.58 2.95 -0.15 3.55 0.00 -1.26 -4.79 121.76 120.48 3f12 s ALA 180 Ca 0.79 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 3f12 s ALA 180 Cb -0.37 -2.50 0.04 0.00 0.00 0.00 0.00 23.12 20.29 3f12 s ALA 180 CO 0.44 -1.79 -0.02 0.14 0.00 0.00 0.00 175.76 174.53 3f12 s VAL 181 N -3.47 0.80 0.29 0.00 -7.23 -1.19 -4.99 120.40 104.61 3f12 s VAL 181 Ca 0.67 -0.41 -0.30 0.00 -1.81 0.00 0.00 61.98 60.13 3f12 s VAL 181 Cb -0.07 -1.03 -0.11 0.00 0.56 0.00 0.00 36.38 35.74 3f12 s VAL 181 CO 0.48 0.10 1.47 -0.22 -0.31 0.00 0.00 175.10 176.62 3f12 s LEU 182 N 1.77 4.37 0.38 1.32 2.96 -1.26 -3.41 118.68 124.80 3f12 s LEU 182 Ca 0.02 2.80 0.08 0.00 -0.22 0.00 0.00 54.13 56.80 3f12 s LEU 182 Cb -0.15 -3.63 -0.06 0.00 0.50 0.00 0.00 46.19 42.85 3f12 s LEU 182 CO -0.07 -0.76 0.09 -1.10 -1.32 0.00 0.00 176.35 173.18 3f12 s GLN 183 N -0.78 2.14 0.51 1.98 -0.21 -1.24 -4.98 119.66 117.07 3f12 s GLN 183 Ca 0.58 -1.82 0.06 0.00 0.02 0.00 0.00 55.36 54.20 3f12 s GLN 183 Cb -0.44 -1.93 0.32 0.00 1.00 0.00 0.00 33.01 31.97 3f12 s GLN 183 CO 0.48 0.01 1.09 0.66 -2.12 0.00 0.00 175.29 175.41 3f12 h SER 184 N 1.63 0.00 0.24 5.90 4.64 -1.95 0.75 113.55 124.76 3f12 h SER 184 Ca -0.43 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.56 3f12 h SER 184 Cb 1.25 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.28 3f12 h SER 184 CO 0.70 0.00 -2.06 -1.54 -0.87 0.00 0.00 176.83 173.06 3f12 n SER 185 N -2.25 0.41 0.00 4.97 3.41 -1.26 -4.97 113.62 113.93 3f12 n SER 185 Ca -0.00 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 3f12 n SER 185 Cb 0.74 0.51 0.00 0.00 -0.26 0.00 0.00 64.21 65.21 3f12 n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f12 n GLY 186 N 1.65 0.84 3.53 5.00 0.00 0.26 -5.07 105.19 111.40 3f12 n GLY 186 Ca -0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 3f12 n GLY 186 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f12 s LEU 187 N 0.00 4.35 0.72 0.99 1.43 -1.26 -4.81 118.68 120.10 3f12 s LEU 187 Ca 0.00 -0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 52.62 3f12 s LEU 187 Cb 0.00 -2.12 0.03 0.00 0.03 0.00 0.00 46.19 44.14 3f12 s LEU 187 CO 0.00 -0.19 1.14 -0.31 0.23 0.00 0.00 176.35 177.22 3f12 s TYR 188 N 1.72 2.37 -0.23 0.29 2.02 -0.18 -3.70 117.35 119.63 3f12 s TYR 188 Ca 0.06 1.59 -0.08 0.00 -0.37 0.00 0.00 57.07 58.27 3f12 s TYR 188 Cb -0.17 -3.25 0.11 0.00 -0.40 0.00 0.00 41.96 38.24 3f12 s TYR 188 CO 0.10 -2.06 0.49 0.45 -1.57 0.00 0.00 175.55 172.96 3f12 s SER 189 N -2.55 -0.53 0.53 2.29 0.15 -1.22 -1.58 113.70 110.80 3f12 s SER 189 Ca 0.68 1.14 0.01 0.00 0.70 0.00 0.00 55.95 58.48 3f12 s SER 189 Cb -0.23 1.65 0.01 0.00 -1.71 0.00 0.00 66.02 65.74 3f12 s SER 189 CO 0.46 -0.23 0.06 -1.48 1.20 0.00 0.00 173.24 173.25 3f12 s LEU 190 N 2.70 2.26 0.01 3.45 0.05 -0.11 -3.16 118.68 123.88 3f12 s LEU 190 Ca -0.02 -1.64 0.01 0.00 0.05 0.00 0.00 54.13 52.53 3f12 s LEU 190 Cb -0.12 -0.77 -0.01 0.00 -2.05 0.00 0.00 46.19 43.24 3f12 s LEU 190 CO -0.15 -0.96 -0.04 -0.55 -0.55 0.00 0.00 176.35 174.11 3f12 s SER 191 N -3.97 0.38 -0.04 1.48 0.15 -1.26 -1.96 113.70 108.47 3f12 s SER 191 Ca 0.06 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.42 3f12 s SER 191 Cb -0.00 0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.36 3f12 s SER 191 CO 0.04 -0.12 -0.02 -0.55 1.20 0.00 0.00 173.24 173.78 3f12 s SER 192 N -0.81 0.88 0.12 5.45 0.15 -0.94 0.26 113.70 118.81 3f12 s SER 192 Ca -0.07 -0.08 0.05 0.00 0.70 0.00 0.00 55.95 56.55 3f12 s SER 192 Cb -0.06 -0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 63.85 3f12 s SER 192 CO -0.00 -0.09 -0.13 0.68 1.20 0.00 0.00 173.24 174.89 3f12 s VAL 193 N 1.13 1.26 0.02 4.45 -7.23 -1.05 -1.25 120.40 117.73 3f12 s VAL 193 Ca -0.08 -1.72 0.02 0.00 -1.81 0.00 0.00 61.98 58.39 3f12 s VAL 193 Cb -0.14 -1.51 -0.01 0.00 0.56 0.00 0.00 36.38 35.28 3f12 s VAL 193 CO -0.01 -0.45 -0.07 0.54 -0.31 0.00 0.00 175.10 174.80 3f12 s VAL 194 N -2.23 0.49 -0.32 1.32 0.11 0.78 -1.00 120.40 119.55 3f12 s VAL 194 Ca 0.09 -0.64 -0.07 0.00 -2.93 0.00 0.00 61.98 58.42 3f12 s VAL 194 Cb -0.04 -0.49 0.02 0.00 -1.53 0.00 0.00 36.38 34.34 3f12 s VAL 194 CO 0.02 -0.12 0.10 0.42 -3.33 0.00 0.00 175.10 172.20 3f12 s THR 195 N -0.73 4.00 0.13 5.04 -4.23 -0.81 -1.65 115.64 117.40 3f12 s THR 195 Ca -0.04 -0.84 0.11 0.00 -1.18 0.00 0.00 61.69 59.75 3f12 s THR 195 Cb -0.06 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.60 3f12 s THR 195 CO 0.00 -0.03 -0.26 0.68 -0.54 0.00 0.00 174.62 174.46 3f12 s VAL 196 N 1.48 2.31 -0.70 2.29 -7.23 -0.90 -4.81 120.40 112.85 3f12 s VAL 196 Ca 0.01 -1.74 -0.27 0.00 -1.81 0.00 0.00 61.98 58.17 3f12 s VAL 196 Cb -0.18 -2.03 0.01 0.00 0.56 0.00 0.00 36.38 34.74 3f12 s VAL 196 CO 0.03 0.09 1.50 -2.16 -0.31 0.00 0.00 175.10 174.25 3f12 s PRO 197 N -2.08 2.98 0.00 4.82 0.04 -1.26 0.13 135.00 139.63 3f12 s PRO 197 Ca 0.14 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.25 3f12 s PRO 197 Cb -0.10 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.17 3f12 s PRO 197 CO 0.06 -2.38 0.00 0.43 0.04 0.00 0.00 177.00 175.16 3f12 n SER 198 N 10.66 0.00 0.00 6.66 7.64 -1.26 -4.90 113.62 132.42 3f12 n SER 198 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 3f12 n SER 198 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 3f12 n SER 198 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3f12 n SER 199 N 0.00 0.00 0.00 6.43 7.64 -1.26 -4.98 113.62 121.45 3f12 n SER 199 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3f12 n SER 199 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3f12 n SER 199 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3f12 n GLN 204 N 0.00 0.00 -4.34 1.43 -0.06 -1.26 -5.17 117.38 107.98 3f12 n GLN 204 Ca 0.00 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.65 3f12 n GLN 204 Cb 0.00 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.08 3f12 n GLN 204 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3f12 s THR 205 N -1.27 4.33 -0.10 1.69 2.01 -1.26 -5.11 115.64 115.94 3f12 s THR 205 Ca 0.00 -0.23 0.04 0.00 0.31 0.00 0.00 61.69 61.80 3f12 s THR 205 Cb 0.00 -2.84 0.00 0.00 0.01 0.00 0.00 72.50 69.67 3f12 s THR 205 CO 0.00 0.58 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.98 3f12 s TYR 206 N -0.63 2.39 -0.01 4.92 2.02 -1.26 -5.01 117.35 119.77 3f12 s TYR 206 Ca 0.10 -0.98 0.01 0.00 -0.37 0.00 0.00 57.07 55.84 3f12 s TYR 206 Cb -0.12 -1.61 -0.00 0.00 -0.40 0.00 0.00 41.96 39.83 3f12 s TYR 206 CO 0.02 -0.40 -0.04 0.42 -1.57 0.00 0.00 175.55 173.98 3f12 s ILE 207 N 0.41 0.31 -0.13 2.71 1.01 -1.26 -1.01 121.20 123.23 3f12 s ILE 207 Ca -0.18 -0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.26 3f12 s ILE 207 Cb -0.18 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 3f12 s ILE 207 CO 0.08 0.10 0.07 0.00 0.00 0.00 0.00 174.94 175.19 3f12 s ASN 209 N -0.49 6.05 -0.10 0.00 0.02 0.49 -3.17 114.94 117.74 3f12 s ASN 209 Ca 0.10 -0.69 -0.02 0.00 -1.02 0.00 0.00 52.86 51.23 3f12 s ASN 209 Cb -0.12 -2.14 -0.03 0.00 0.02 0.00 0.00 41.25 38.98 3f12 s ASN 209 CO 0.02 -0.35 -0.03 -0.69 0.02 0.00 0.00 177.10 176.07 3f12 s VAL 210 N 1.69 3.99 -0.18 1.60 1.01 -0.01 0.93 120.40 129.44 3f12 s VAL 210 Ca 0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 3f12 s VAL 210 Cb -0.18 -2.69 0.09 0.00 0.00 0.00 0.00 36.38 33.60 3f12 s VAL 210 CO 0.10 0.57 0.27 0.21 0.00 0.00 0.00 175.10 176.25 3f12 s ASN 211 N -0.44 0.66 -1.08 3.32 2.47 -0.89 0.15 114.94 119.13 3f12 s ASN 211 Ca 0.07 0.27 -0.05 0.00 0.42 0.00 0.00 52.86 53.57 3f12 s ASN 211 Cb -0.12 0.69 0.30 0.00 -1.45 0.00 0.00 41.25 40.67 3f12 s ASN 211 CO 0.02 -0.28 1.36 1.57 -3.72 0.00 0.00 177.10 176.05 3f12 n HIS 212 N 5.34 3.16 -0.45 0.43 -0.00 0.12 -3.47 115.22 120.36 3f12 n HIS 212 Ca -0.06 -3.01 0.38 0.00 -0.00 0.00 0.00 57.72 55.04 3f12 n HIS 212 Cb 0.50 -1.36 0.71 0.00 -0.00 0.00 0.00 29.99 29.83 3f12 n HIS 212 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 3f12 h LYS 213 N 5.75 0.08 0.00 1.57 1.57 -1.81 -0.58 116.57 123.16 3f12 h LYS 213 Ca 0.19 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3f12 h LYS 213 Cb 0.69 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3f12 h LYS 213 CO 1.23 0.05 0.00 -1.35 -0.57 0.00 0.00 179.45 178.81 3f12 h PRO 214 N 0.08 0.00 0.00 3.15 0.11 -1.90 -3.23 132.00 130.21 3f12 h PRO 214 Ca 0.72 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.83 3f12 h PRO 214 Cb 2.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.71 3f12 h PRO 214 CO -0.15 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.51 3f12 n SER 215 N -2.46 0.31 -0.44 -2.05 3.41 -0.29 -4.90 113.62 107.20 3f12 n SER 215 Ca 0.00 -0.93 -0.03 0.00 -0.26 0.00 0.00 58.87 57.66 3f12 n SER 215 Cb 0.16 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3f12 n SER 215 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3f12 n ASN 216 N -0.03 -1.84 -4.21 4.04 4.05 -0.80 -4.96 115.26 111.50 3f12 n ASN 216 Ca 0.00 -0.02 -0.38 0.00 0.45 0.00 0.00 54.58 54.63 3f12 n ASN 216 Cb 0.15 -1.08 -0.11 0.00 1.23 0.00 0.00 39.78 39.98 3f12 n ASN 216 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3f12 s THR 217 N -2.33 3.78 -0.13 -0.44 2.01 -1.07 -5.00 115.64 112.46 3f12 s THR 217 Ca 0.02 -1.57 -0.03 0.00 0.31 0.00 0.00 61.69 60.42 3f12 s THR 217 Cb -0.01 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 3f12 s THR 217 CO 0.02 -0.49 -0.04 -0.75 -0.69 0.00 0.00 174.62 172.67 3f12 s LYS 218 N 1.32 3.46 -0.09 4.92 2.20 -1.26 0.16 119.74 130.44 3f12 s LYS 218 Ca 0.03 -0.51 -0.04 0.00 -0.36 0.00 0.00 55.97 55.09 3f12 s LYS 218 Cb -0.22 -2.85 0.04 0.00 -1.51 0.00 0.00 37.83 33.29 3f12 s LYS 218 CO -0.00 0.36 0.20 0.08 -0.36 0.00 0.00 175.35 175.63 3f12 s VAL 219 N 0.04 -0.09 0.05 4.02 1.01 0.12 -4.99 120.40 120.55 3f12 s VAL 219 Ca 0.00 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.21 3f12 s VAL 219 Cb -0.13 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 3f12 s VAL 219 CO 0.03 0.08 -0.03 -1.81 0.00 0.00 0.00 175.10 173.36 3f12 s ASP 220 N 1.41 4.87 -0.12 3.32 1.11 -1.26 -0.83 116.67 125.17 3f12 s ASP 220 Ca -0.07 -0.15 -0.04 0.00 0.18 0.00 0.00 52.55 52.46 3f12 s ASP 220 Cb -0.11 -1.16 0.06 0.00 1.07 0.00 0.00 42.92 42.78 3f12 s ASP 220 CO -0.07 0.23 0.22 -0.75 1.18 0.00 0.00 175.17 175.97 3f12 s LYS 221 N -1.87 0.11 0.96 8.23 2.47 -1.19 -5.01 119.74 123.44 3f12 s LYS 221 Ca 0.21 0.62 -0.12 0.00 -1.56 0.00 0.00 55.97 55.12 3f12 s LYS 221 Cb -0.11 -0.26 0.17 0.00 -1.46 0.00 0.00 37.83 36.17 3f12 s LYS 221 CO 0.13 -0.34 1.09 0.21 0.16 0.00 0.00 175.35 176.60 3f12 s LYS 222 N 2.36 0.68 -0.04 4.03 2.20 -1.26 -2.95 119.74 124.76 3f12 s LYS 222 Ca 0.03 0.94 0.00 0.00 -0.36 0.00 0.00 55.97 56.58 3f12 s LYS 222 Cb -0.12 -1.73 0.03 0.00 -1.51 0.00 0.00 37.83 34.49 3f12 s LYS 222 CO -0.08 -2.67 -0.01 0.08 -0.36 0.00 0.00 175.35 172.31 3f12 s VAL 223 N -2.78 0.32 0.00 4.02 1.01 -0.18 -4.87 120.40 117.93 3f12 s VAL 223 Ca 0.65 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3f12 s VAL 223 Cb -0.20 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.76 3f12 s VAL 223 CO 0.59 0.20 0.00 -0.62 0.00 0.00 0.00 175.10 175.26