#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d69 n VAL 2 N 0.00 0.00 -3.64 1.61 0.31 -1.26 -4.30 118.33 111.05 3d69 n VAL 2 Ca 0.00 -0.18 -0.05 0.00 -0.01 0.00 0.00 64.34 64.10 3d69 n VAL 2 Cb 0.00 -0.85 -0.06 0.00 -0.91 0.00 0.00 33.84 32.02 3d69 n VAL 2 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3d69 s GLN 3 N -4.17 0.65 -0.09 5.55 -1.52 -1.18 -4.82 119.66 114.08 3d69 s GLN 3 Ca 0.63 1.26 -0.03 0.00 -1.95 0.00 0.00 55.36 55.27 3d69 s GLN 3 Cb -0.22 0.35 0.05 0.00 -0.22 0.00 0.00 33.01 32.97 3d69 s GLN 3 CO 0.63 -0.16 0.12 -0.51 -0.25 0.00 0.00 175.29 175.12 3d69 s LEU 4 N 2.00 0.07 -0.28 2.90 1.43 -1.26 -1.17 118.68 122.37 3d69 s LEU 4 Ca -0.09 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3d69 s LEU 4 Cb -0.07 0.05 0.08 0.00 0.03 0.00 0.00 46.19 46.28 3d69 s LEU 4 CO -0.19 -0.27 0.02 0.68 0.23 0.00 0.00 176.35 176.81 3d69 s VAL 5 N 2.23 1.50 1.32 -1.59 -7.23 -1.13 -4.40 120.40 111.09 3d69 s VAL 5 Ca 0.04 -1.53 -0.18 0.00 -1.81 0.00 0.00 61.98 58.50 3d69 s VAL 5 Cb -0.13 -1.96 0.34 0.00 0.56 0.00 0.00 36.38 35.19 3d69 s VAL 5 CO -0.06 -0.39 0.96 -1.61 -0.31 0.00 0.00 175.10 173.69 3d69 s GLU 6 N 1.35 -2.15 -0.17 4.82 8.01 -1.26 -3.43 118.70 125.87 3d69 s GLU 6 Ca 0.03 0.53 -0.35 0.00 0.01 0.00 0.00 54.97 55.19 3d69 s GLU 6 Cb -0.18 -1.43 0.14 0.00 -4.31 0.00 0.00 34.13 28.34 3d69 s GLU 6 CO -0.12 -4.46 1.32 -1.12 0.01 0.00 0.00 175.26 170.89 3d69 s SER 7 N -2.69 -0.06 -0.09 -0.19 0.01 0.10 -4.88 113.70 105.91 3d69 s SER 7 Ca 0.69 -0.03 -0.00 0.00 1.31 0.00 0.00 55.95 57.91 3d69 s SER 7 Cb -0.20 0.09 -0.00 0.00 0.21 0.00 0.00 66.02 66.11 3d69 s SER 7 CO 0.62 -0.15 0.08 0.61 0.41 0.00 0.00 173.24 174.81 3d69 n GLY 8 N -0.22 0.49 3.23 3.44 0.00 -1.26 -0.33 105.19 110.54 3d69 n GLY 8 Ca -0.02 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 3d69 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d69 s GLY 9 N -3.08 1.51 0.00 -0.02 0.00 -1.26 -4.16 107.32 100.30 3d69 s GLY 9 Ca 0.01 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.03 3d69 s GLY 9 CO 0.06 -1.36 0.00 0.61 0.00 0.00 0.00 173.10 172.40 3d69 n GLY 10 N -0.32 -0.53 3.62 0.20 0.00 -0.92 -4.92 105.19 102.30 3d69 n GLY 10 Ca 0.03 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3d69 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d69 s VAL 11 N 0.00 4.23 -0.23 1.61 1.01 -1.26 -1.17 120.40 124.59 3d69 s VAL 11 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 3d69 s VAL 11 Cb 0.00 -2.82 0.12 0.00 0.00 0.00 0.00 36.38 33.68 3d69 s VAL 11 CO 0.00 0.55 0.39 0.68 0.00 0.00 0.00 175.10 176.73 3d69 s VAL 12 N -0.35 -0.63 0.16 2.92 -7.23 -1.05 -5.00 120.40 109.23 3d69 s VAL 12 Ca 0.07 0.02 -0.33 0.00 -1.81 0.00 0.00 61.98 59.92 3d69 s VAL 12 Cb -0.12 -0.76 -0.16 0.00 0.56 0.00 0.00 36.38 35.90 3d69 s VAL 12 CO 0.02 -0.05 1.18 0.00 -0.31 0.00 0.00 175.10 175.94 3d69 n GLN 13 N 5.37 1.11 -1.40 4.82 3.00 -1.26 -3.77 117.38 125.26 3d69 n GLN 13 Ca -0.05 0.40 -0.46 0.00 -0.01 0.00 0.00 57.00 56.87 3d69 n GLN 13 Cb 0.50 -1.91 -0.02 0.00 0.00 0.00 0.00 30.24 28.81 3d69 n GLN 13 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 3d69 n PRO 14 N 1.85 0.16 0.00 -1.09 -0.02 -1.26 -4.03 135.00 130.60 3d69 n PRO 14 Ca 0.16 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3d69 n PRO 14 Cb 0.23 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 3d69 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d69 n GLY 15 N 1.98 1.96 3.35 -1.23 0.00 -1.21 -4.88 105.19 105.16 3d69 n GLY 15 Ca 0.16 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 3d69 n GLY 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3d69 n ARG 16 N 0.00 -0.10 -1.21 1.61 0.63 -1.26 0.27 116.66 116.60 3d69 n ARG 16 Ca 0.00 0.01 -0.07 0.00 -0.92 0.00 0.00 57.85 56.87 3d69 n ARG 16 Cb 0.00 -1.68 0.04 0.00 0.45 0.00 0.00 32.46 31.27 3d69 n ARG 16 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3d69 n SER 17 N -0.14 0.41 -3.64 6.15 7.64 -1.26 -4.13 113.62 118.65 3d69 n SER 17 Ca 0.06 -1.34 -0.05 0.00 1.01 0.00 0.00 58.87 58.54 3d69 n SER 17 Cb 0.53 -0.20 -0.07 0.00 -1.01 0.00 0.00 64.21 63.47 3d69 n SER 17 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3d69 s LEU 18 N 0.00 -0.34 -0.16 -3.43 2.96 -0.90 -5.00 118.68 111.82 3d69 s LEU 18 Ca 0.20 0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 54.70 3d69 s LEU 18 Cb -0.01 1.60 -0.02 0.00 0.50 0.00 0.00 46.19 48.26 3d69 s LEU 18 CO 0.13 -0.10 -0.07 -0.60 -1.32 0.00 0.00 176.35 174.39 3d69 s ARG 19 N 0.49 3.53 0.56 1.98 3.52 -1.26 -2.16 118.95 125.61 3d69 s ARG 19 Ca 0.01 -0.59 -0.04 0.00 -0.13 0.00 0.00 55.73 54.98 3d69 s ARG 19 Cb -0.04 -2.83 0.01 0.00 -1.56 0.00 0.00 34.95 30.53 3d69 s ARG 19 CO -0.11 0.17 0.84 -0.51 -0.81 0.00 0.00 175.30 174.88 3d69 s LEU 20 N 0.52 3.31 -0.17 -0.88 1.43 -0.51 -4.72 118.68 117.66 3d69 s LEU 20 Ca -0.05 0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 53.49 3d69 s LEU 20 Cb -0.15 -3.33 0.08 0.00 0.03 0.00 0.00 46.19 42.82 3d69 s LEU 20 CO 0.03 -1.02 0.36 -0.44 0.23 0.00 0.00 176.35 175.51 3d69 s SER 21 N -4.31 -0.03 -0.05 2.29 0.01 0.55 -3.28 113.70 108.88 3d69 s SER 21 Ca 0.53 0.84 0.02 0.00 1.31 0.00 0.00 55.95 58.65 3d69 s SER 21 Cb -0.10 1.10 -0.03 0.00 0.21 0.00 0.00 66.02 67.19 3d69 s SER 21 CO 0.42 -0.23 -0.09 0.00 0.41 0.00 0.00 173.24 173.75 3d69 s ALA 23 N -0.81 1.32 0.45 0.00 0.00 -1.22 0.38 121.76 121.87 3d69 s ALA 23 Ca 0.13 -0.60 -0.15 0.00 0.00 0.00 0.00 51.96 51.34 3d69 s ALA 23 Cb -0.11 -0.96 -0.08 0.00 0.00 0.00 0.00 23.12 21.97 3d69 s ALA 23 CO 0.02 -0.53 0.88 0.00 0.00 0.00 0.00 175.76 176.13 3d69 s ALA 24 N 1.71 3.20 -0.42 0.00 0.00 -0.89 -2.85 121.76 122.50 3d69 s ALA 24 Ca 0.04 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.05 3d69 s ALA 24 Cb -0.13 -2.93 0.22 0.00 0.00 0.00 0.00 23.12 20.28 3d69 s ALA 24 CO -0.08 -0.06 0.97 -1.13 0.00 0.00 0.00 175.76 175.47 3d69 n SER 25 N -1.25 -2.35 0.00 0.00 3.41 -0.31 -4.91 113.62 108.21 3d69 n SER 25 Ca 0.05 -2.20 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 3d69 n SER 25 Cb 0.54 1.27 0.00 0.00 -0.26 0.00 0.00 64.21 65.76 3d69 n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d69 n GLY 26 N 2.30 0.00 0.00 5.00 0.00 -1.26 -3.10 105.19 108.13 3d69 n GLY 26 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3d69 n GLY 26 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3d69 n PHE 27 N 0.00 0.00 -3.08 1.61 -1.74 -1.26 -4.06 117.46 108.92 3d69 n PHE 27 Ca 0.00 0.00 -0.44 0.00 -0.56 0.00 0.00 57.45 56.45 3d69 n PHE 27 Cb 0.00 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.01 3d69 n PHE 27 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 3d69 n THR 28 N 1.85 5.01 -0.31 1.97 -2.24 -1.26 -4.87 114.28 114.43 3d69 n THR 28 Ca 0.00 -5.65 0.13 0.00 -2.27 0.00 0.00 64.05 56.26 3d69 n THR 28 Cb 0.00 -2.27 0.28 0.00 -2.10 0.00 0.00 70.33 66.24 3d69 n THR 28 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3d69 h PHE 29 N 5.90 0.14 0.00 4.78 3.57 -1.96 0.15 116.94 129.52 3d69 h PHE 29 Ca 0.21 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.77 3d69 h PHE 29 Cb 0.71 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.53 3d69 h PHE 29 CO 0.94 -0.32 0.40 0.43 -2.23 0.00 0.00 178.31 177.54 3d69 n SER 30 N -5.36 0.17 -0.79 0.41 7.64 -1.26 -0.61 113.62 113.82 3d69 n SER 30 Ca 0.21 0.39 0.05 0.00 1.01 0.00 0.00 58.87 60.54 3d69 n SER 30 Cb 0.70 -0.31 0.13 0.00 -1.01 0.00 0.00 64.21 63.72 3d69 n SER 30 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3d69 n THR 31 N -1.76 1.32 -4.58 0.44 -2.24 0.53 -4.63 114.28 103.36 3d69 n THR 31 Ca -0.00 -2.17 -0.25 0.00 -2.27 0.00 0.00 64.05 59.35 3d69 n THR 31 Cb 0.41 0.19 -0.17 0.00 -2.10 0.00 0.00 70.33 68.67 3d69 n THR 31 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3d69 s TYR 32 N -1.95 1.52 0.38 4.78 2.02 0.21 -4.92 117.35 119.39 3d69 s TYR 32 Ca 0.33 -0.58 -0.28 0.00 -0.37 0.00 0.00 57.07 56.17 3d69 s TYR 32 Cb 0.33 -1.11 -0.10 0.00 -0.40 0.00 0.00 41.96 40.68 3d69 s TYR 32 CO -0.08 -0.30 1.42 0.00 -1.57 0.00 0.00 175.55 175.03 3d69 s ALA 33 N 0.70 3.48 0.06 3.71 0.00 -1.26 -4.29 121.76 124.17 3d69 s ALA 33 Ca -0.14 1.47 0.07 0.00 0.00 0.00 0.00 51.96 53.35 3d69 s ALA 33 Cb -0.16 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 3d69 s ALA 33 CO 0.03 -0.97 -0.13 -1.64 0.00 0.00 0.00 175.76 173.05 3d69 s MET 34 N -2.10 2.14 0.05 0.00 -1.94 -0.48 -2.13 119.30 114.85 3d69 s MET 34 Ca 0.54 -0.97 0.07 0.00 -1.71 0.00 0.00 55.69 53.62 3d69 s MET 34 Cb -0.44 -2.28 -0.03 0.00 2.01 0.00 0.00 34.83 34.10 3d69 s MET 34 CO 0.59 0.53 -0.20 -1.01 -0.01 0.00 0.00 175.02 174.92 3d69 s HIS 35 N -1.06 1.75 -0.11 -0.03 3.76 0.19 -1.79 115.29 117.99 3d69 s HIS 35 Ca 0.18 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 54.74 3d69 s HIS 35 Cb -0.11 -1.03 0.01 0.00 1.11 0.00 0.00 32.58 32.56 3d69 s HIS 35 CO 0.09 0.10 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.30 3d69 s TRP 36 N -0.86 2.38 0.04 1.40 0.23 -0.94 -1.16 118.94 120.04 3d69 s TRP 36 Ca 0.07 -1.08 0.02 0.00 -2.03 0.00 0.00 56.10 53.08 3d69 s TRP 36 Cb -0.09 -1.63 -0.02 0.00 0.03 0.00 0.00 33.47 31.76 3d69 s TRP 36 CO 0.02 -0.48 -0.07 0.08 0.96 0.00 0.00 176.95 177.47 3d69 s VAL 37 N 0.64 0.45 0.17 4.03 1.01 0.35 -1.73 120.40 125.32 3d69 s VAL 37 Ca -0.13 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 60.75 3d69 s VAL 37 Cb -0.16 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 3d69 s VAL 37 CO 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 175.10 174.68 3d69 s ARG 38 N -1.76 1.09 -0.17 2.72 1.70 -1.02 0.15 118.95 121.66 3d69 s ARG 38 Ca -0.09 -1.52 -0.05 0.00 -0.47 0.00 0.00 55.73 53.60 3d69 s ARG 38 Cb -0.09 -0.25 0.09 0.00 -0.57 0.00 0.00 34.95 34.13 3d69 s ARG 38 CO -0.00 -0.13 0.29 -1.14 -1.08 0.00 0.00 175.30 173.24 3d69 s GLN 39 N -3.92 0.21 1.12 3.89 0.74 0.11 -1.76 119.66 120.05 3d69 s GLN 39 Ca 0.23 0.64 -0.17 0.00 0.05 0.00 0.00 55.36 56.12 3d69 s GLN 39 Cb 0.06 -0.30 0.25 0.00 1.10 0.00 0.00 33.01 34.11 3d69 s GLN 39 CO 0.04 -0.42 1.12 0.00 -0.55 0.00 0.00 175.29 175.48 3d69 s ALA 40 N 2.45 0.88 -0.07 1.58 0.00 -1.26 -0.38 121.76 124.96 3d69 s ALA 40 Ca 0.04 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 3d69 s ALA 40 Cb -0.13 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3d69 s ALA 40 CO -0.11 -3.24 1.38 -2.14 0.00 0.00 0.00 175.76 171.65 3d69 s PRO 41 N -5.32 4.26 0.00 0.00 0.02 -1.26 -3.87 135.00 128.83 3d69 s PRO 41 Ca 0.69 1.88 0.00 0.00 0.02 0.00 0.00 61.00 63.59 3d69 s PRO 41 Cb -0.12 -3.71 0.00 0.00 0.02 0.00 0.00 34.50 30.69 3d69 s PRO 41 CO 0.56 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.99 3d69 n GLY 42 N 3.69 2.00 3.51 0.52 0.00 -1.26 -4.98 105.19 108.66 3d69 n GLY 42 Ca 0.14 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 3d69 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d69 n LYS 43 N 0.00 0.67 0.00 1.61 4.76 -1.25 -4.96 118.16 118.99 3d69 n LYS 43 Ca 0.00 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 3d69 n LYS 43 Cb 0.00 -1.78 0.00 0.00 -1.84 0.00 0.00 35.03 31.41 3d69 n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3d69 n GLY 44 N 1.64 -3.04 3.88 0.72 0.00 -1.26 -4.07 105.19 103.05 3d69 n GLY 44 Ca 0.12 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 3d69 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d69 s LEU 45 N 0.00 4.29 -0.09 0.99 1.43 -1.26 -4.01 118.68 120.03 3d69 s LEU 45 Ca 0.00 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 3d69 s LEU 45 Cb 0.00 -3.21 0.02 0.00 0.03 0.00 0.00 46.19 43.03 3d69 s LEU 45 CO 0.00 0.09 -0.09 -0.70 0.23 0.00 0.00 176.35 175.88 3d69 s GLU 46 N -2.34 1.49 0.35 1.70 2.12 -0.72 -5.03 118.70 116.27 3d69 s GLU 46 Ca 0.38 -0.29 -0.27 0.00 0.36 0.00 0.00 54.97 55.16 3d69 s GLU 46 Cb -0.13 -1.42 -0.09 0.00 0.26 0.00 0.00 34.13 32.75 3d69 s GLU 46 CO 0.21 -0.14 1.12 -0.46 -0.54 0.00 0.00 175.26 175.46 3d69 s TRP 47 N 1.24 3.32 -0.02 5.30 -0.00 -1.26 -2.43 118.94 125.09 3d69 s TRP 47 Ca -0.04 1.62 -0.05 0.00 -0.00 0.00 0.00 56.10 57.63 3d69 s TRP 47 Cb -0.14 -3.31 -0.02 0.00 -0.00 0.00 0.00 33.47 30.00 3d69 s TRP 47 CO -0.03 -0.89 -0.11 0.28 -0.00 0.00 0.00 176.95 176.20 3d69 n VAL 48 N 0.54 0.89 -3.85 5.86 0.31 -0.71 -4.78 118.33 116.59 3d69 n VAL 48 Ca 0.02 0.27 -0.08 0.00 -0.01 0.00 0.00 64.34 64.53 3d69 n VAL 48 Cb 0.46 -1.70 -0.00 0.00 -0.91 0.00 0.00 33.84 31.69 3d69 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d69 s ALA 49 N -2.43 -0.90 -0.14 3.52 0.00 -1.21 -1.34 121.76 119.26 3d69 s ALA 49 Ca -0.09 -0.57 -0.15 0.00 0.00 0.00 0.00 51.96 51.16 3d69 s ALA 49 Cb 0.01 0.80 0.04 0.00 0.00 0.00 0.00 23.12 23.97 3d69 s ALA 49 CO 0.13 -1.00 0.41 -1.50 0.00 0.00 0.00 175.76 173.80 3d69 s ILE 50 N -3.24 0.01 0.01 0.00 2.07 -0.60 -2.20 121.20 117.25 3d69 s ILE 50 Ca 0.14 -0.04 0.05 0.00 -1.41 0.00 0.00 60.65 59.39 3d69 s ILE 50 Cb -0.05 -0.59 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 3d69 s ILE 50 CO 0.09 -0.02 -0.15 -0.51 -1.91 0.00 0.00 174.94 172.44 3d69 s ILE 51 N 0.05 1.22 1.34 2.00 2.07 -0.74 -1.86 121.20 125.29 3d69 s ILE 51 Ca -0.01 -0.84 -0.22 0.00 -1.41 0.00 0.00 60.65 58.16 3d69 s ILE 51 Cb -0.03 -1.06 0.34 0.00 0.13 0.00 0.00 42.46 41.85 3d69 s ILE 51 CO 0.01 0.21 0.99 -1.54 -1.91 0.00 0.00 174.94 172.69 3d69 n SER 52 N 2.32 -3.08 0.16 4.50 3.41 -0.90 -1.38 113.62 118.65 3d69 n SER 52 Ca -0.16 -1.03 0.01 0.00 -0.26 0.00 0.00 58.87 57.43 3d69 n SER 52 Cb 0.55 -1.00 0.26 0.00 -0.26 0.00 0.00 64.21 63.76 3d69 n SER 52 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 3d69 h TYR 52 N -3.17 0.00 -0.21 7.33 -0.00 -1.89 -3.11 116.97 115.92 3d69 h TYR 52 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.33 3d69 h TYR 52 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.02 3d69 h TYR 52 CO 0.00 0.50 0.00 -0.40 -0.00 0.00 0.00 178.16 178.26 3d69 n ASP 53 N -3.87 3.15 -0.59 0.10 5.68 -1.26 -4.68 116.55 115.08 3d69 n ASP 53 Ca -0.01 -1.95 -0.05 0.00 -0.50 0.00 0.00 54.79 52.27 3d69 n ASP 53 Cb 0.52 -0.13 -0.01 0.00 -1.14 0.00 0.00 41.12 40.37 3d69 n ASP 53 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3d69 n GLY 54 N 1.34 0.24 0.00 6.12 0.00 -1.18 -5.00 105.19 106.72 3d69 n GLY 54 Ca 0.16 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3d69 n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d69 n SER 55 N 0.99 0.00 -4.88 1.61 7.64 -1.26 -4.92 113.62 112.80 3d69 n SER 55 Ca -0.06 0.01 -0.30 0.00 1.01 0.00 0.00 58.87 59.53 3d69 n SER 55 Cb 0.49 -0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 3d69 n SER 55 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3d69 s LYS 56 N -0.02 3.71 -0.12 1.43 -2.85 -1.26 -4.93 119.74 115.70 3d69 s LYS 56 Ca 0.00 0.42 -0.29 0.00 -1.00 0.00 0.00 55.97 55.10 3d69 s LYS 56 Cb 0.00 -2.37 0.07 0.00 -2.06 0.00 0.00 37.83 33.47 3d69 s LYS 56 CO 0.00 -0.11 0.70 0.15 0.10 0.00 0.00 175.35 176.19 3d69 s LYS 57 N -4.14 0.98 -0.11 1.78 1.02 -1.26 -2.11 119.74 115.90 3d69 s LYS 57 Ca 0.51 0.50 0.03 0.00 0.02 0.00 0.00 55.97 57.02 3d69 s LYS 57 Cb -0.10 0.47 0.01 0.00 -0.52 0.00 0.00 37.83 37.68 3d69 s LYS 57 CO 0.36 -0.25 -0.21 0.71 -0.92 0.00 0.00 175.35 175.04 3d69 s TYR 58 N -0.68 2.36 0.26 3.18 1.51 -0.78 -4.95 117.35 118.26 3d69 s TYR 58 Ca -0.07 -1.05 0.09 0.00 -1.01 0.00 0.00 57.07 55.03 3d69 s TYR 58 Cb -0.02 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.18 3d69 s TYR 58 CO 0.07 -0.46 0.05 0.71 -1.11 0.00 0.00 175.55 174.81 3d69 s TYR 59 N 0.61 2.81 -0.16 2.71 1.51 -1.26 -1.55 117.35 122.02 3d69 s TYR 59 Ca -0.13 -0.19 -0.13 0.00 -1.01 0.00 0.00 57.07 55.60 3d69 s TYR 59 Cb -0.17 -1.25 -0.05 0.00 -0.11 0.00 0.00 41.96 40.39 3d69 s TYR 59 CO 0.04 0.59 0.27 0.00 -1.11 0.00 0.00 175.55 175.34 3d69 s ALA 60 N -2.27 3.62 0.38 3.71 0.00 -0.45 -4.80 121.76 121.95 3d69 s ALA 60 Ca 0.32 -0.48 0.29 0.00 0.00 0.00 0.00 51.96 52.09 3d69 s ALA 60 Cb -0.07 -2.35 1.26 0.00 0.00 0.00 0.00 23.12 21.97 3d69 s ALA 60 CO 0.21 0.14 1.28 -3.47 0.00 0.00 0.00 175.76 173.92 3d69 n ASP 61 N 3.43 0.14 0.00 0.00 4.64 -1.26 0.12 116.55 123.62 3d69 n ASP 61 Ca -0.13 1.08 0.00 0.00 -1.38 0.00 0.00 54.79 54.36 3d69 n ASP 61 Cb 0.52 -0.53 0.00 0.00 -1.04 0.00 0.00 41.12 40.07 3d69 n ASP 61 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 3d69 n SER 62 N -4.19 0.00 0.00 1.67 7.64 -1.26 -2.79 113.62 114.69 3d69 n SER 62 Ca 0.34 0.04 0.00 0.00 1.01 0.00 0.00 58.87 60.26 3d69 n SER 62 Cb 1.36 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 64.51 3d69 n SER 62 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3d69 n VAL 63 N -0.79 0.00 0.00 0.44 0.24 0.32 -5.05 118.33 113.49 3d69 n VAL 63 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3d69 n VAL 63 Cb 0.07 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 3d69 n VAL 63 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3d69 n LYS 64 N -1.69 0.00 0.00 7.34 5.02 -0.38 0.31 118.16 128.75 3d69 n LYS 64 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3d69 n LYS 64 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3d69 n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d69 n GLY 65 N 0.00 1.13 0.10 0.72 0.00 -1.26 -4.90 105.19 100.98 3d69 n GLY 65 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3d69 n GLY 65 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3d69 h ARG 66 N 0.03 0.00 -5.98 1.61 2.43 -0.47 -3.46 114.38 108.54 3d69 h ARG 66 Ca 0.00 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.61 3d69 h ARG 66 Cb 0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 3d69 h ARG 66 CO 0.00 0.81 -0.37 -0.06 -1.51 0.00 0.00 179.97 178.84 3d69 s PHE 67 N -3.13 2.16 -0.24 2.20 0.08 -1.26 -1.79 117.98 116.00 3d69 s PHE 67 Ca 0.00 -0.69 -0.12 0.00 0.12 0.00 0.00 56.93 56.24 3d69 s PHE 67 Cb 0.11 -1.99 0.08 0.00 -0.57 0.00 0.00 43.02 40.65 3d69 s PHE 67 CO 0.79 -0.21 0.57 0.99 -0.10 0.00 0.00 175.22 177.26 3d69 s THR 68 N -2.65 -0.18 -0.54 0.64 2.01 -0.13 -4.96 115.64 109.84 3d69 s THR 68 Ca 0.39 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.41 3d69 s THR 68 Cb -0.01 -0.85 0.14 0.00 0.01 0.00 0.00 72.50 71.79 3d69 s THR 68 CO 0.23 0.02 0.34 -0.51 -0.69 0.00 0.00 174.62 174.01 3d69 s ILE 69 N 1.79 3.45 0.23 1.82 2.07 -1.26 0.96 121.20 130.26 3d69 s ILE 69 Ca -0.09 -2.70 0.07 0.00 -1.41 0.00 0.00 60.65 56.52 3d69 s ILE 69 Cb -0.07 -3.30 -0.04 0.00 0.13 0.00 0.00 42.46 39.18 3d69 s ILE 69 CO -0.17 -0.81 0.19 -0.94 -1.91 0.00 0.00 174.94 171.30 3d69 s SER 70 N 0.96 5.53 0.24 4.50 1.04 -1.21 -4.89 113.70 119.86 3d69 s SER 70 Ca 0.14 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.36 3d69 s SER 70 Cb -0.21 -1.41 -0.05 0.00 0.10 0.00 0.00 66.02 64.44 3d69 s SER 70 CO -0.03 -0.02 0.06 0.00 0.98 0.00 0.00 173.24 174.23 3d69 s ARG 71 N -3.70 1.34 -0.42 4.02 1.70 -1.26 -1.11 118.95 119.51 3d69 s ARG 71 Ca 0.32 -1.70 0.06 0.00 -0.47 0.00 0.00 55.73 53.94 3d69 s ARG 71 Cb -0.08 -0.32 0.21 0.00 -0.57 0.00 0.00 34.95 34.19 3d69 s ARG 71 CO 0.25 -0.23 0.49 -3.47 -1.08 0.00 0.00 175.30 171.26 3d69 n ASP 72 N -0.41 -0.66 -0.57 -2.89 -0.08 -0.49 -4.95 116.55 106.50 3d69 n ASP 72 Ca -0.02 -2.63 0.46 0.00 -1.51 0.00 0.00 54.79 51.09 3d69 n ASP 72 Cb 0.65 -0.20 0.77 0.00 2.34 0.00 0.00 41.12 44.68 3d69 n ASP 72 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 3d69 h ASN 73 N 4.76 0.06 -0.97 1.67 2.35 -1.93 0.02 115.58 121.55 3d69 h ASN 73 Ca 0.13 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.96 3d69 h ASN 73 Cb 0.92 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 39.27 3d69 h ASN 73 CO 0.37 -0.05 0.63 0.77 -1.65 0.00 0.00 177.43 177.51 3d69 h SER 74 N 0.02 1.05 -0.67 5.81 4.64 -1.95 -2.37 113.55 120.07 3d69 h SER 74 Ca 0.84 -0.01 -0.45 0.00 -0.47 0.00 0.00 61.79 61.70 3d69 h SER 74 Cb 3.19 -0.24 -0.28 0.00 -0.31 0.00 0.00 62.40 64.76 3d69 h SER 74 CO -0.11 0.71 -0.13 2.29 -0.87 0.00 0.00 176.83 178.72 3d69 n LYS 75 N -4.44 2.74 -2.97 4.77 2.85 -0.02 -4.97 118.16 116.12 3d69 n LYS 75 Ca 0.13 -3.60 -0.15 0.00 -1.05 0.00 0.00 58.31 53.64 3d69 n LYS 75 Cb 0.10 -2.12 -0.04 0.00 -0.65 0.00 0.00 35.03 32.33 3d69 n LYS 75 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3d69 n ASN 76 N -0.92 -0.19 -4.22 -5.58 4.13 -0.89 -4.87 115.26 102.72 3d69 n ASN 76 Ca 0.45 -0.50 -0.31 0.00 1.68 0.00 0.00 54.58 55.89 3d69 n ASN 76 Cb 0.93 -0.64 -0.17 0.00 -1.54 0.00 0.00 39.78 38.37 3d69 n ASN 76 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3d69 s THR 77 N -2.70 2.01 -0.13 3.41 2.01 -1.22 -2.09 115.64 116.92 3d69 s THR 77 Ca 0.17 -1.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.09 3d69 s THR 77 Cb -0.10 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 3d69 s THR 77 CO 0.41 0.55 0.16 -0.22 -0.69 0.00 0.00 174.62 174.83 3d69 s LEU 78 N 0.27 4.35 0.28 4.42 2.96 1.20 -1.39 118.68 130.77 3d69 s LEU 78 Ca -0.16 0.45 0.11 0.00 -0.22 0.00 0.00 54.13 54.31 3d69 s LEU 78 Cb -0.17 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.35 3d69 s LEU 78 CO 0.08 0.34 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.97 3d69 s TYR 79 N -0.68 2.22 -0.20 5.38 2.02 -0.27 0.69 117.35 126.51 3d69 s TYR 79 Ca 0.14 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.39 3d69 s TYR 79 Cb -0.12 -1.02 0.10 0.00 -0.40 0.00 0.00 41.96 40.51 3d69 s TYR 79 CO 0.03 0.64 0.36 -1.17 -1.57 0.00 0.00 175.55 173.84 3d69 s LEU 80 N -3.50 -0.54 -0.18 -1.29 2.96 -1.21 -3.31 118.68 111.61 3d69 s LEU 80 Ca 0.29 0.60 -0.13 0.00 -0.22 0.00 0.00 54.13 54.67 3d69 s LEU 80 Cb -0.03 1.09 -0.05 0.00 0.50 0.00 0.00 46.19 47.70 3d69 s LEU 80 CO 0.14 -0.26 0.26 -1.58 -1.32 0.00 0.00 176.35 173.59 3d69 s GLN 81 N 2.54 4.22 -0.33 1.98 2.00 0.27 -1.43 119.66 128.91 3d69 s GLN 81 Ca 0.04 0.01 0.03 0.00 -2.00 0.00 0.00 55.36 53.44 3d69 s GLN 81 Cb -0.13 -3.45 0.10 0.00 0.80 0.00 0.00 33.01 30.33 3d69 s GLN 81 CO -0.13 0.20 0.05 -1.64 -0.50 0.00 0.00 175.29 173.27 3d69 s MET 82 N 0.59 1.43 0.21 1.67 -1.94 -0.92 -0.95 119.30 119.39 3d69 s MET 82 Ca 0.14 -1.74 0.04 0.00 -1.71 0.00 0.00 55.69 52.42 3d69 s MET 82 Cb -0.13 -3.03 -0.03 0.00 2.01 0.00 0.00 34.83 33.65 3d69 s MET 82 CO 0.03 -0.92 0.32 -0.80 -0.01 0.00 0.00 175.02 173.64 3d69 s ASN 82 N 1.01 6.28 -1.02 3.03 -0.87 -0.74 -2.11 114.94 120.52 3d69 s ASN 82 Ca 0.10 0.09 -0.13 0.00 -1.57 0.00 0.00 52.86 51.34 3d69 s ASN 82 Cb -0.19 -1.85 -0.01 0.00 -0.02 0.00 0.00 41.25 39.18 3d69 s ASN 82 CO -0.10 -0.02 0.76 -1.20 -2.57 0.00 0.00 177.10 173.97 3d69 n SER 82 N -1.07 -5.78 -4.56 -1.22 7.64 0.14 -4.66 113.62 104.11 3d69 n SER 82 Ca -0.08 -0.83 -0.32 0.00 1.01 0.00 0.00 58.87 58.64 3d69 n SER 82 Cb 0.56 -3.56 -0.04 0.00 -1.01 0.00 0.00 64.21 60.15 3d69 n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3d69 s LEU 82 N -5.76 3.23 0.71 -3.43 1.02 -1.11 -4.73 118.68 108.60 3d69 s LEU 82 Ca 0.33 -0.31 -0.15 0.00 0.02 0.00 0.00 54.13 54.02 3d69 s LEU 82 Cb -0.11 -2.55 0.03 0.00 0.02 0.00 0.00 46.19 43.58 3d69 s LEU 82 CO 0.84 -2.53 1.19 -0.13 0.02 0.00 0.00 176.35 175.74 3d69 s ARG 83 N 6.91 2.32 0.21 1.70 0.52 -1.26 -3.34 118.95 126.01 3d69 s ARG 83 Ca 0.67 1.69 -0.09 0.00 -0.52 0.00 0.00 55.73 57.48 3d69 s ARG 83 Cb -0.09 -1.86 0.15 0.00 0.52 0.00 0.00 34.95 33.67 3d69 s ARG 83 CO 0.08 -1.68 1.83 0.00 0.02 0.00 0.00 175.30 175.55 3d69 h ALA 84 N -0.15 0.99 -0.08 2.13 0.00 -1.93 -2.43 119.26 117.79 3d69 h ALA 84 Ca -0.48 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.34 3d69 h ALA 84 Cb 1.29 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3d69 h ALA 84 CO 0.51 0.49 0.19 0.93 0.00 0.00 0.00 179.25 181.37 3d69 h GLU 85 N 1.06 0.00 0.00 0.00 3.07 -1.92 -1.73 114.58 115.07 3d69 h GLU 85 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 3d69 h GLU 85 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3d69 h GLU 85 CO -0.04 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.32 3d69 n ASP 86 N -3.31 0.00 -4.72 1.42 8.00 -0.91 -4.72 116.55 112.30 3d69 n ASP 86 Ca -0.01 0.39 -0.42 0.00 0.71 0.00 0.00 54.79 55.46 3d69 n ASP 86 Cb 0.28 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 3d69 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3d69 s THR 87 N -2.86 2.41 -0.68 -3.53 2.01 -0.65 -4.86 115.64 107.49 3d69 s THR 87 Ca 0.06 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.36 3d69 s THR 87 Cb 0.06 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.37 3d69 s THR 87 CO 0.15 0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.11 3d69 n ALA 88 N 3.66 0.00 -2.85 7.40 0.00 -1.14 -4.51 120.51 123.07 3d69 n ALA 88 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.25 3d69 n ALA 88 Cb 0.38 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.66 3d69 n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3d69 s VAL 89 N -3.00 2.18 -0.43 0.00 1.01 0.49 -0.25 120.40 120.39 3d69 s VAL 89 Ca 0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 60.84 3d69 s VAL 89 Cb 0.00 -1.81 0.05 0.00 0.00 0.00 0.00 36.38 34.63 3d69 s VAL 89 CO 0.00 0.57 0.30 -0.31 0.00 0.00 0.00 175.10 175.66 3d69 s TYR 90 N -0.05 3.27 -0.01 5.22 1.51 0.76 0.06 117.35 128.12 3d69 s TYR 90 Ca -0.07 -1.02 -0.22 0.00 -1.01 0.00 0.00 57.07 54.75 3d69 s TYR 90 Cb -0.15 -2.84 -0.05 0.00 -0.11 0.00 0.00 41.96 38.81 3d69 s TYR 90 CO 0.05 -0.74 0.66 0.71 -1.11 0.00 0.00 175.55 175.12 3d69 s TYR 91 N 1.58 3.67 -0.23 2.71 2.02 0.39 -2.10 117.35 125.38 3d69 s TYR 91 Ca 0.03 1.28 -0.06 0.00 -0.37 0.00 0.00 57.07 57.95 3d69 s TYR 91 Cb -0.22 -2.70 -0.03 0.00 -0.40 0.00 0.00 41.96 38.61 3d69 s TYR 91 CO 0.06 0.27 0.04 0.00 -1.57 0.00 0.00 175.55 174.35 3d69 s ALA 93 N 1.39 0.53 -0.23 0.00 0.00 -0.31 -2.91 121.76 120.23 3d69 s ALA 93 Ca 0.05 -0.56 -0.13 0.00 0.00 0.00 0.00 51.96 51.32 3d69 s ALA 93 Cb -0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 3d69 s ALA 93 CO 0.02 0.04 0.27 0.50 0.00 0.00 0.00 175.76 176.59 3d69 s ARG 94 N -1.00 4.10 0.31 0.00 3.52 -1.00 0.54 118.95 125.42 3d69 s ARG 94 Ca -0.05 -0.07 -0.16 0.00 -0.13 0.00 0.00 55.73 55.32 3d69 s ARG 94 Cb -0.07 -3.56 -0.09 0.00 -1.56 0.00 0.00 34.95 29.68 3d69 s ARG 94 CO 0.00 -0.02 0.74 0.00 -0.81 0.00 0.00 175.30 175.21 3d69 s ALA 95 N 1.29 3.32 0.94 6.12 0.00 -0.90 -1.06 121.76 131.47 3d69 s ALA 95 Ca 0.12 0.07 -0.21 0.00 0.00 0.00 0.00 51.96 51.95 3d69 s ALA 95 Cb -0.14 -2.79 -0.09 0.00 0.00 0.00 0.00 23.12 20.10 3d69 s ALA 95 CO 0.07 0.32 -0.90 0.45 0.00 0.00 0.00 175.76 175.70 3d69 n SER 96 N -0.22 -2.73 -0.06 0.00 2.88 0.62 -4.35 113.62 109.77 3d69 n SER 96 Ca 0.03 -0.05 -0.17 0.00 -1.33 0.00 0.00 58.87 57.35 3d69 n SER 96 Cb 0.53 -0.59 -0.13 0.00 -0.75 0.00 0.00 64.21 63.26 3d69 n SER 96 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 3d69 h ILE 97 N -1.48 1.52 -0.35 2.46 6.09 -1.94 -3.37 117.51 120.44 3d69 h ILE 97 Ca -0.34 -2.34 -0.02 0.00 -1.37 0.00 0.00 64.86 60.80 3d69 h ILE 97 Cb 1.10 3.07 -0.01 0.00 0.47 0.00 0.00 36.82 41.45 3d69 h ILE 97 CO 0.20 0.56 0.01 0.00 -3.07 0.00 0.00 178.15 175.85 3d69 n ALA 98 N -2.82 3.31 -2.95 0.18 0.00 -1.26 -4.68 120.51 112.29 3d69 n ALA 98 Ca -0.16 -2.29 -0.11 0.00 0.00 0.00 0.00 53.44 50.87 3d69 n ALA 98 Cb 0.59 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 3d69 n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d69 n ALA 99 N -0.33 -0.44 0.28 0.00 0.00 -1.26 -4.99 120.51 113.78 3d69 n ALA 99 Ca 0.24 -1.66 0.17 0.00 0.00 0.00 0.00 53.44 52.19 3d69 n ALA 99 Cb 0.99 -1.27 0.89 0.00 0.00 0.00 0.00 19.45 20.06 3d69 n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d69 h ALA 100 N 5.18 1.08 -0.13 0.00 0.00 -1.84 -0.56 119.26 123.00 3d69 h ALA 100 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3d69 h ALA 100 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3d69 h ALA 100 CO 0.12 -0.08 0.00 2.89 0.00 0.00 0.00 179.25 182.18 3d69 n ARG 100 N -2.72 1.62 -3.75 0.00 1.85 -1.26 -4.67 116.66 107.72 3d69 n ARG 100 Ca -0.02 -0.59 -0.28 0.00 -1.00 0.00 0.00 57.85 55.95 3d69 n ARG 100 Cb 0.14 -1.45 -0.16 0.00 -1.05 0.00 0.00 32.46 29.94 3d69 n ARG 100 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3d69 s VAL 100 N -1.53 0.62 -0.58 8.89 1.01 -0.23 -5.02 120.40 123.56 3d69 s VAL 100 Ca 0.11 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.21 3d69 s VAL 100 Cb 0.07 -1.12 0.05 0.00 0.00 0.00 0.00 36.38 35.38 3d69 s VAL 100 CO 0.05 -0.22 0.94 -0.76 0.00 0.00 0.00 175.10 175.11 3d69 s LEU 100 N 1.81 4.17 -0.09 3.92 1.43 -1.26 0.23 118.68 128.89 3d69 s LEU 100 Ca -0.01 -0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 52.39 3d69 s LEU 100 Cb -0.17 -2.72 -0.28 0.00 0.03 0.00 0.00 46.19 43.04 3d69 s LEU 100 CO -0.08 -1.27 0.69 -2.24 0.23 0.00 0.00 176.35 173.67 3d69 h ASP 101 N 9.37 0.38 -3.25 2.29 3.04 -1.41 -3.46 116.42 123.39 3d69 h ASP 101 Ca -0.27 -0.88 -0.59 0.00 -3.24 0.00 0.00 57.03 52.05 3d69 h ASP 101 Cb 1.07 -0.12 -0.37 0.00 -1.04 0.00 0.00 39.33 38.87 3d69 h ASP 101 CO 1.11 1.49 -0.82 -0.31 -2.04 0.00 0.00 179.24 178.67 3d69 s TYR 102 N -2.44 2.09 0.47 4.15 2.02 -1.23 -5.02 117.35 117.40 3d69 s TYR 102 Ca -0.18 -1.25 0.08 0.00 -0.37 0.00 0.00 57.07 55.35 3d69 s TYR 102 Cb 0.03 -1.53 0.02 0.00 -0.40 0.00 0.00 41.96 40.08 3d69 s TYR 102 CO 0.78 -0.67 0.50 -1.58 -1.57 0.00 0.00 175.55 173.02 3d69 s TRP 103 N 1.51 2.26 0.10 2.71 0.52 -1.26 -2.38 118.94 122.39 3d69 s TRP 103 Ca 0.03 -0.59 0.03 0.00 0.02 0.00 0.00 56.10 55.59 3d69 s TRP 103 Cb -0.14 -2.17 -0.04 0.00 -1.15 0.00 0.00 33.47 29.97 3d69 s TRP 103 CO -0.09 -0.46 -0.09 0.20 0.02 0.00 0.00 176.95 176.53 3d69 s GLY 104 N -4.31 0.82 -0.22 0.98 0.00 -1.14 -4.84 107.32 98.61 3d69 s GLY 104 Ca 0.50 -1.24 -0.30 0.00 0.00 0.00 0.00 44.72 43.68 3d69 s GLY 104 CO 0.30 -1.32 2.19 0.54 0.00 0.00 0.00 173.10 174.81 3d69 n ARG 105 N 0.36 1.88 0.00 2.90 1.74 -1.26 -4.41 116.66 117.87 3d69 n ARG 105 Ca -0.15 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 3d69 n ARG 105 Cb 0.59 -3.08 0.00 0.00 -1.02 0.00 0.00 32.46 28.95 3d69 n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d69 n GLY 106 N 5.78 -1.61 3.09 -0.13 0.00 -1.26 -4.40 105.19 106.66 3d69 n GLY 106 Ca 0.31 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 3d69 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3d69 s THR 107 N 0.00 -0.00 0.06 2.61 -1.32 -0.89 -4.72 115.64 111.37 3d69 s THR 107 Ca 0.00 0.01 -0.30 0.00 -1.21 0.00 0.00 61.69 60.19 3d69 s THR 107 Cb 0.00 -0.31 -0.05 0.00 -1.51 0.00 0.00 72.50 70.64 3d69 s THR 107 CO 0.00 0.01 1.03 -0.32 -2.21 0.00 0.00 174.62 173.12 3d69 s MET 108 N 0.21 4.58 0.07 7.08 1.75 -1.26 -0.17 119.30 131.56 3d69 s MET 108 Ca -0.01 1.52 0.05 0.00 -1.25 0.00 0.00 55.69 56.01 3d69 s MET 108 Cb -0.02 -3.40 -0.04 0.00 2.84 0.00 0.00 34.83 34.21 3d69 s MET 108 CO -0.00 -0.01 -0.06 0.08 -0.65 0.00 0.00 175.02 174.38 3d69 s VAL 109 N 0.63 3.66 -0.32 10.11 1.01 0.65 -2.17 120.40 133.96 3d69 s VAL 109 Ca 0.52 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3d69 s VAL 109 Cb -0.24 -2.69 0.14 0.00 0.00 0.00 0.00 36.38 33.59 3d69 s VAL 109 CO 0.29 0.18 0.33 -0.89 0.00 0.00 0.00 175.10 175.01 3d69 s THR 110 N -1.20 -0.36 -0.84 3.92 2.01 -0.32 -2.88 115.64 115.98 3d69 s THR 110 Ca 0.22 -0.73 -0.25 0.00 0.31 0.00 0.00 61.69 61.24 3d69 s THR 110 Cb -0.11 -0.87 0.05 0.00 0.01 0.00 0.00 72.50 71.58 3d69 s THR 110 CO 0.14 -0.53 1.30 -0.69 -0.69 0.00 0.00 174.62 174.15 3d69 s VAL 111 N 1.95 3.90 -0.18 3.82 1.01 -1.26 -2.52 120.40 127.11 3d69 s VAL 111 Ca 0.13 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 3d69 s VAL 111 Cb -0.15 -4.94 0.08 0.00 0.00 0.00 0.00 36.38 31.38 3d69 s VAL 111 CO -0.20 -1.83 0.39 -0.55 0.00 0.00 0.00 175.10 172.91 3d69 s SER 112 N 4.15 -0.17 0.00 3.32 0.15 -1.25 -4.72 113.70 115.18 3d69 s SER 112 Ca 0.37 0.91 0.09 0.00 0.70 0.00 0.00 55.95 58.02 3d69 s SER 112 Cb -0.06 1.17 0.43 0.00 -1.71 0.00 0.00 66.02 65.85 3d69 s SER 112 CO 0.05 -0.23 1.29 -1.54 1.20 0.00 0.00 173.24 174.01 3d69 n SER 113 N 5.26 0.51 -4.91 5.45 3.41 -1.26 -4.02 113.62 118.06 3d69 n SER 113 Ca -0.10 -1.81 -0.27 0.00 -0.26 0.00 0.00 58.87 56.43 3d69 n SER 113 Cb 0.50 -0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.41 3d69 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d69 s ALA 114 N -1.89 3.35 0.04 7.33 0.00 -1.26 -4.95 121.76 124.38 3d69 s ALA 114 Ca 0.15 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.58 3d69 s ALA 114 Cb 0.07 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 3d69 s ALA 114 CO 0.11 -0.51 -0.06 -1.12 0.00 0.00 0.00 175.76 174.18 3d69 s SER 115 N -4.17 0.60 0.00 0.00 0.01 -1.26 -5.06 113.70 103.82 3d69 s SER 115 Ca 0.50 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.19 3d69 s SER 115 Cb -0.10 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.20 3d69 s SER 115 CO 0.46 -0.27 0.00 0.41 0.41 0.00 0.00 173.24 174.24 3d69 n THR 116 N 1.39 0.00 -4.02 1.44 -1.04 -1.26 -4.86 114.28 105.93 3d69 n THR 116 Ca -0.22 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.65 3d69 n THR 116 Cb 0.55 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.03 3d69 n THR 116 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3d69 n LYS 117 N 0.00 0.65 -0.01 -2.82 3.00 -1.26 -4.98 118.16 112.74 3d69 n LYS 117 Ca 0.00 -2.58 0.00 0.00 -0.00 0.00 0.00 58.31 55.73 3d69 n LYS 117 Cb 0.00 2.49 0.00 0.00 0.00 0.00 0.00 35.03 37.52 3d69 n LYS 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3d69 n GLY 118 N -0.53 7.33 3.91 3.14 0.00 -1.26 -4.24 105.19 113.53 3d69 n GLY 118 Ca 0.01 -2.03 -0.27 0.00 0.00 0.00 0.00 46.02 43.72 3d69 n GLY 118 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d69 s PRO 119 N 1.16 3.60 -0.36 1.61 0.04 -1.26 -3.76 135.00 136.02 3d69 s PRO 119 Ca 0.00 0.05 0.12 0.00 0.04 0.00 0.00 61.00 61.22 3d69 s PRO 119 Cb 0.00 -2.54 0.45 0.00 0.04 0.00 0.00 34.50 32.45 3d69 s PRO 119 CO 0.00 0.05 1.04 0.43 0.04 0.00 0.00 177.00 178.56 3d69 n SER 120 N -1.53 2.99 -4.28 6.66 7.64 -1.12 -4.90 113.62 119.08 3d69 n SER 120 Ca -0.01 -3.14 -0.50 0.00 1.01 0.00 0.00 58.87 56.23 3d69 n SER 120 Cb 0.55 -0.49 -0.04 0.00 -1.01 0.00 0.00 64.21 63.22 3d69 n SER 120 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3d69 n VAL 121 N -0.31 1.33 -4.08 0.44 0.31 -1.26 -4.35 118.33 110.41 3d69 n VAL 121 Ca 0.23 -0.33 -0.09 0.00 -0.01 0.00 0.00 64.34 64.14 3d69 n VAL 121 Cb 0.76 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.59 3d69 n VAL 121 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3d69 s PHE 122 N -0.66 0.55 -0.24 3.52 0.08 -1.14 -4.94 117.98 115.16 3d69 s PHE 122 Ca 0.70 -0.88 -0.15 0.00 0.12 0.00 0.00 56.93 56.72 3d69 s PHE 122 Cb -1.00 -0.38 -0.04 0.00 -0.57 0.00 0.00 43.02 41.04 3d69 s PHE 122 CO 0.54 -0.27 0.37 -1.25 -0.10 0.00 0.00 175.22 174.52 3d69 s PRO 123 N -3.21 4.09 -1.17 0.24 0.04 -1.26 -0.56 135.00 133.18 3d69 s PRO 123 Ca 0.02 0.10 -0.12 0.00 0.04 0.00 0.00 61.00 61.04 3d69 s PRO 123 Cb 0.02 -3.59 0.21 0.00 0.04 0.00 0.00 34.50 31.18 3d69 s PRO 123 CO -0.06 -0.14 1.31 -0.51 0.04 0.00 0.00 177.00 177.63 3d69 s LEU 124 N 1.65 5.52 -0.28 -3.56 1.43 0.64 -4.95 118.68 119.13 3d69 s LEU 124 Ca 0.16 -3.19 -0.42 0.00 -1.03 0.00 0.00 54.13 49.66 3d69 s LEU 124 Cb -0.15 -2.33 -0.18 0.00 0.03 0.00 0.00 46.19 43.56 3d69 s LEU 124 CO 0.08 -0.59 1.59 0.00 0.23 0.00 0.00 176.35 177.67 3d69 n ALA 125 N 4.62 -0.96 -1.74 4.21 0.00 -1.26 -2.87 120.51 122.51 3d69 n ALA 125 Ca 0.32 0.46 -0.38 0.00 0.00 0.00 0.00 53.44 53.83 3d69 n ALA 125 Cb 0.42 -2.07 0.05 0.00 0.00 0.00 0.00 19.45 17.84 3d69 n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3d69 n PRO 126 N 4.27 1.60 0.00 0.00 -0.04 -1.26 -4.82 135.00 134.75 3d69 n PRO 126 Ca 0.26 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 3d69 n PRO 126 Cb 0.07 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 30.98 3d69 n PRO 126 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3d69 n SER 127 N -1.08 0.00 0.00 3.54 2.88 -1.24 -4.48 113.62 113.25 3d69 n SER 127 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 3d69 n SER 127 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 3d69 n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3d69 n GLY 134 N 0.00 0.00 2.66 0.46 0.00 -1.26 -4.04 105.19 103.01 3d69 n GLY 134 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3d69 n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d69 s THR 135 N -1.58 -0.24 0.59 2.61 -4.23 -1.26 -4.79 115.64 106.74 3d69 s THR 135 Ca 0.00 -0.53 -0.11 0.00 -1.18 0.00 0.00 61.69 59.87 3d69 s THR 135 Cb 0.00 -0.92 -0.09 0.00 1.34 0.00 0.00 72.50 72.83 3d69 s THR 135 CO 0.00 -0.53 -0.54 0.00 -0.54 0.00 0.00 174.62 173.01 3d69 n ALA 136 N 5.29 -4.18 -2.55 3.99 0.00 -1.26 -4.46 120.51 117.34 3d69 n ALA 136 Ca -0.04 -0.46 -0.17 0.00 0.00 0.00 0.00 53.44 52.76 3d69 n ALA 136 Cb 0.45 -0.65 -0.11 0.00 0.00 0.00 0.00 19.45 19.14 3d69 n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d69 s ALA 137 N -1.18 1.31 0.15 0.00 0.00 -1.26 -3.11 121.76 117.67 3d69 s ALA 137 Ca 0.23 -1.18 -0.10 0.00 0.00 0.00 0.00 51.96 50.91 3d69 s ALA 137 Cb -0.08 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 3d69 s ALA 137 CO 0.48 0.08 0.29 -0.48 0.00 0.00 0.00 175.76 176.13 3d69 s LEU 138 N -2.25 0.95 0.00 0.00 0.05 -0.11 -3.66 118.68 113.66 3d69 s LEU 138 Ca 0.05 -0.78 -0.02 0.00 0.05 0.00 0.00 54.13 53.43 3d69 s LEU 138 Cb -0.06 1.26 0.01 0.00 -2.05 0.00 0.00 46.19 45.35 3d69 s LEU 138 CO 0.02 -0.88 0.09 0.61 -0.55 0.00 0.00 176.35 175.65 3d69 n GLY 139 N -0.20 1.55 3.29 -3.48 0.00 -1.14 0.77 105.19 105.97 3d69 n GLY 139 Ca -0.09 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 3d69 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d69 s LEU 141 N -0.54 5.38 0.29 0.00 2.96 0.28 -2.07 118.68 124.97 3d69 s LEU 141 Ca 0.08 -3.27 -0.29 0.00 -0.22 0.00 0.00 54.13 50.43 3d69 s LEU 141 Cb -0.10 -1.87 -0.10 0.00 0.50 0.00 0.00 46.19 44.62 3d69 s LEU 141 CO -0.00 -0.28 1.17 -0.69 -1.32 0.00 0.00 176.35 175.23 3d69 s VAL 142 N -0.68 3.25 -0.11 1.68 1.01 -0.84 -2.86 120.40 121.85 3d69 s VAL 142 Ca 0.22 1.25 -0.25 0.00 0.00 0.00 0.00 61.98 63.19 3d69 s VAL 142 Cb -0.14 -3.79 0.06 0.00 0.00 0.00 0.00 36.38 32.51 3d69 s VAL 142 CO -0.08 0.29 0.60 -1.59 0.00 0.00 0.00 175.10 174.32 3d69 s LYS 143 N -1.45 0.88 -0.56 2.72 -2.85 -1.26 -1.99 119.74 115.23 3d69 s LYS 143 Ca 0.46 0.41 -0.01 0.00 -1.00 0.00 0.00 55.97 55.83 3d69 s LYS 143 Cb -0.34 0.42 -0.02 0.00 -2.06 0.00 0.00 37.83 35.83 3d69 s LYS 143 CO 0.44 -0.22 0.47 -0.25 0.10 0.00 0.00 175.35 175.90 3d69 n ASP 144 N 1.62 -3.09 -4.46 0.03 9.92 -1.08 -2.78 116.55 116.70 3d69 n ASP 144 Ca -0.18 -0.33 -0.29 0.00 -0.53 0.00 0.00 54.79 53.47 3d69 n ASP 144 Cb 0.56 -2.80 -0.12 0.00 -0.64 0.00 0.00 41.12 38.13 3d69 n ASP 144 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 3d69 s TYR 145 N -3.18 2.48 -0.25 1.24 -0.85 0.19 -4.58 117.35 112.40 3d69 s TYR 145 Ca 0.11 -0.29 -0.17 0.00 -0.52 0.00 0.00 57.07 56.19 3d69 s TYR 145 Cb -0.01 -1.32 -0.15 0.00 0.38 0.00 0.00 41.96 40.86 3d69 s TYR 145 CO 0.36 0.38 -0.11 0.34 -1.52 0.00 0.00 175.55 175.00 3d69 n PHE 146 N 0.80 0.45 -2.45 -3.49 7.35 -1.26 0.13 117.46 118.99 3d69 n PHE 146 Ca -0.16 0.19 -0.43 0.00 -0.76 0.00 0.00 57.45 56.29 3d69 n PHE 146 Cb 0.53 -1.04 -0.02 0.00 0.35 0.00 0.00 39.48 39.30 3d69 n PHE 146 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3d69 s PRO 147 N -2.45 3.70 0.09 -7.13 0.02 -1.26 -4.75 135.00 123.21 3d69 s PRO 147 Ca -0.34 0.88 -0.16 0.00 0.02 0.00 0.00 61.00 61.40 3d69 s PRO 147 Cb 0.11 -3.95 -0.03 0.00 0.02 0.00 0.00 34.50 30.65 3d69 s PRO 147 CO 0.53 -1.41 0.81 0.39 -0.33 0.00 0.00 177.00 176.99 3d69 n GLU 148 N 7.83 -0.23 -1.63 5.54 -0.58 -1.26 -4.66 120.64 125.64 3d69 n GLU 148 Ca 0.15 0.79 -0.49 0.00 -0.42 0.00 0.00 57.16 57.19 3d69 n GLU 148 Cb 0.48 -1.17 -0.05 0.00 -0.57 0.00 0.00 31.44 30.13 3d69 n GLU 148 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3d69 n PRO 149 N -4.66 1.63 -3.34 3.49 -0.02 -1.26 -4.97 135.00 125.87 3d69 n PRO 149 Ca 0.01 0.59 0.02 0.00 -2.02 0.00 0.00 63.50 62.10 3d69 n PRO 149 Cb 0.14 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 3d69 n PRO 149 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3d69 s VAL 150 N 0.81 -0.72 0.24 -1.45 1.01 -1.26 -4.57 120.40 114.46 3d69 s VAL 150 Ca 0.82 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.87 3d69 s VAL 150 Cb -0.83 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3d69 s VAL 150 CO 0.43 0.00 0.17 0.28 0.00 0.00 0.00 175.10 175.99 3d69 s THR 151 N 2.76 4.38 0.10 3.92 -1.32 -1.01 -5.01 115.64 119.46 3d69 s THR 151 Ca 0.03 -1.40 -0.01 0.00 -1.21 0.00 0.00 61.69 59.10 3d69 s THR 151 Cb -0.11 -3.35 -0.04 0.00 -1.51 0.00 0.00 72.50 67.49 3d69 s THR 151 CO -0.18 -0.32 0.02 -0.69 -2.21 0.00 0.00 174.62 171.24 3d69 s VAL 152 N -2.10 0.20 0.04 5.08 1.01 -1.26 -2.42 120.40 120.95 3d69 s VAL 152 Ca 0.32 -1.88 -0.27 0.00 0.00 0.00 0.00 61.98 60.16 3d69 s VAL 152 Cb -0.08 -1.83 0.09 0.00 0.00 0.00 0.00 36.38 34.56 3d69 s VAL 152 CO 0.24 -0.69 0.80 -0.94 0.00 0.00 0.00 175.10 174.51 3d69 s SER 153 N -3.00 -0.43 -0.16 3.32 1.04 -1.16 -5.00 113.70 108.31 3d69 s SER 153 Ca 0.17 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.62 3d69 s SER 153 Cb 0.08 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.68 3d69 s SER 153 CO -0.03 -0.72 -0.10 0.26 0.98 0.00 0.00 173.24 173.63 3d69 s TRP 154 N -3.25 2.04 -1.05 5.02 0.52 -1.26 0.10 118.94 121.06 3d69 s TRP 154 Ca 0.03 -1.23 -0.02 0.00 0.02 0.00 0.00 56.10 54.91 3d69 s TRP 154 Cb -0.01 -1.49 0.00 0.00 -1.15 0.00 0.00 33.47 30.82 3d69 s TRP 154 CO -0.10 -0.66 0.21 0.09 0.02 0.00 0.00 176.95 176.52 3d69 n ASN 155 N 4.79 -4.31 -0.95 2.95 4.13 -1.03 -3.04 115.26 117.80 3d69 n ASN 155 Ca -0.15 -0.11 -0.12 0.00 1.68 0.00 0.00 54.58 55.88 3d69 n ASN 155 Cb 0.48 -3.33 -0.05 0.00 -1.54 0.00 0.00 39.78 35.35 3d69 n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3d69 n SER 156 N -0.77 -4.67 0.00 6.41 7.64 -1.26 -3.50 113.62 117.48 3d69 n SER 156 Ca -0.11 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.08 3d69 n SER 156 Cb 0.60 -3.26 0.00 0.00 -1.01 0.00 0.00 64.21 60.54 3d69 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d69 n GLY 157 N -1.23 1.41 3.60 0.23 0.00 -1.17 -5.07 105.19 102.96 3d69 n GLY 157 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 3d69 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d69 s ALA 158 N -2.00 3.07 -0.09 4.61 0.00 -1.18 -4.26 121.76 121.91 3d69 s ALA 158 Ca 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 3d69 s ALA 158 Cb 0.00 -3.93 0.01 0.00 0.00 0.00 0.00 23.12 19.20 3d69 s ALA 158 CO 0.00 -2.34 0.13 -0.11 0.00 0.00 0.00 175.76 173.44 3d69 n LEU 159 N 8.71 -3.44 0.00 0.00 7.94 -1.26 -4.79 117.00 124.15 3d69 n LEU 159 Ca 0.16 0.31 0.09 0.00 -1.11 0.00 0.00 56.01 55.46 3d69 n LEU 159 Cb 0.48 -1.61 0.44 0.00 0.53 0.00 0.00 43.42 43.26 3d69 n LEU 159 CO 0.70 -1.17 0.78 0.35 -1.11 0.00 0.00 177.39 176.94 3d69 n THR 160 N 0.99 0.54 -1.67 1.96 -2.24 -1.26 -4.83 114.28 107.77 3d69 n THR 160 Ca -0.02 0.14 -0.34 0.00 -2.27 0.00 0.00 64.05 61.55 3d69 n THR 160 Cb 0.53 -0.83 0.07 0.00 -2.10 0.00 0.00 70.33 68.00 3d69 n THR 160 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3d69 s SER 161 N -2.71 4.69 -0.29 3.42 0.01 -1.26 -3.33 113.70 114.23 3d69 s SER 161 Ca 0.15 2.28 -0.00 0.00 1.31 0.00 0.00 55.95 59.69 3d69 s SER 161 Cb 0.12 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.77 3d69 s SER 161 CO 0.30 -1.93 0.03 0.61 0.41 0.00 0.00 173.24 172.66 3d69 n GLY 162 N 0.22 0.30 3.16 3.44 0.00 -1.26 -4.82 105.19 106.23 3d69 n GLY 162 Ca 0.13 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 3d69 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d69 s VAL 163 N -2.30 0.02 -0.23 1.61 1.01 -1.21 -1.27 120.40 118.02 3d69 s VAL 163 Ca 0.01 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 3d69 s VAL 163 Cb -0.01 -0.43 0.10 0.00 0.00 0.00 0.00 36.38 36.05 3d69 s VAL 163 CO 0.02 -0.09 0.50 -2.28 0.00 0.00 0.00 175.10 173.24 3d69 s HIS 164 N -0.31 -0.98 -0.45 5.22 2.46 -1.12 -5.01 115.29 115.10 3d69 s HIS 164 Ca -0.04 1.79 -0.14 0.00 0.47 0.00 0.00 55.06 57.14 3d69 s HIS 164 Cb -0.03 0.47 0.07 0.00 -0.13 0.00 0.00 32.58 32.95 3d69 s HIS 164 CO 0.01 -0.54 0.36 0.99 -2.47 0.00 0.00 174.74 173.09 3d69 s THR 165 N 2.71 5.08 1.12 0.89 2.01 -1.26 -3.03 115.64 123.15 3d69 s THR 165 Ca -0.03 -1.05 -0.19 0.00 0.31 0.00 0.00 61.69 60.73 3d69 s THR 165 Cb -0.12 -4.01 0.11 0.00 0.01 0.00 0.00 72.50 68.49 3d69 s THR 165 CO -0.15 -0.52 0.03 0.49 -0.69 0.00 0.00 174.62 173.78 3d69 n PHE 166 N 5.15 -1.41 -2.91 4.92 3.01 -1.01 -4.98 117.46 120.23 3d69 n PHE 166 Ca -0.12 0.13 -0.31 0.00 1.01 0.00 0.00 57.45 58.16 3d69 n PHE 166 Cb 0.44 -1.57 -0.04 0.00 -0.01 0.00 0.00 39.48 38.30 3d69 n PHE 166 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3d69 s PRO 167 N -3.47 3.87 0.00 -1.08 0.04 -1.26 -4.68 135.00 128.42 3d69 s PRO 167 Ca 0.56 0.58 0.00 0.00 0.04 0.00 0.00 61.00 62.18 3d69 s PRO 167 Cb -0.12 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.04 3d69 s PRO 167 CO 0.66 0.01 0.00 0.00 0.04 0.00 0.00 177.00 177.71 3d69 n ALA 168 N -1.02 0.00 -3.53 8.56 0.00 -1.26 -4.76 120.51 118.50 3d69 n ALA 168 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 3d69 n ALA 168 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 3d69 n ALA 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3d69 s VAL 169 N 0.00 -0.37 -1.04 0.00 0.11 -0.15 -4.88 120.40 114.06 3d69 s VAL 169 Ca 0.00 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.82 3d69 s VAL 169 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 3d69 s VAL 169 CO 0.00 0.00 1.87 -0.22 -3.33 0.00 0.00 175.10 173.42 3d69 s LEU 170 N 2.10 3.21 1.25 2.54 2.96 -1.26 -3.02 118.68 126.46 3d69 s LEU 170 Ca -0.06 -1.22 -0.18 0.00 -0.22 0.00 0.00 54.13 52.45 3d69 s LEU 170 Cb -0.06 -2.57 0.27 0.00 0.50 0.00 0.00 46.19 44.33 3d69 s LEU 170 CO -0.17 -2.61 0.66 0.00 -1.32 0.00 0.00 176.35 172.91 3d69 n GLN 171 N 8.63 -3.10 -0.28 1.98 6.02 -0.85 -4.76 117.38 125.03 3d69 n GLN 171 Ca 0.42 -0.90 -0.04 0.00 -0.01 0.00 0.00 57.00 56.46 3d69 n GLN 171 Cb 0.47 -1.89 0.07 0.00 1.02 0.00 0.00 30.24 29.91 3d69 n GLN 171 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3d69 h SER 172 N -2.90 0.87 0.00 1.08 0.87 -1.93 -0.63 113.55 110.91 3d69 h SER 172 Ca -0.49 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 3d69 h SER 172 Cb 1.26 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 3d69 h SER 172 CO 0.35 0.63 0.00 -1.54 -0.53 0.00 0.00 176.83 175.73 3d69 n SER 173 N -4.56 0.24 -3.43 6.23 3.41 -1.26 -4.69 113.62 109.56 3d69 n SER 173 Ca 0.08 -0.66 -0.25 0.00 -0.26 0.00 0.00 58.87 57.78 3d69 n SER 173 Cb 0.02 -0.12 0.02 0.00 -0.26 0.00 0.00 64.21 63.87 3d69 n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d69 n GLY 174 N 0.20 -0.50 3.22 5.00 0.00 -0.24 -4.78 105.19 108.08 3d69 n GLY 174 Ca 0.00 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 3d69 n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d69 s LEU 175 N -6.80 2.28 0.03 0.99 1.43 -1.24 -4.71 118.68 110.66 3d69 s LEU 175 Ca 0.45 -0.54 -0.27 0.00 -1.03 0.00 0.00 54.13 52.75 3d69 s LEU 175 Cb -0.23 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 3d69 s LEU 175 CO 0.56 0.09 0.84 -0.31 0.23 0.00 0.00 176.35 177.76 3d69 s TYR 176 N 0.77 3.71 0.05 0.29 1.51 0.34 -2.00 117.35 122.02 3d69 s TYR 176 Ca -0.07 1.55 0.02 0.00 -1.01 0.00 0.00 57.07 57.56 3d69 s TYR 176 Cb -0.16 -2.92 -0.03 0.00 -0.11 0.00 0.00 41.96 38.74 3d69 s TYR 176 CO -0.00 0.17 -0.08 -1.12 -1.11 0.00 0.00 175.55 173.41 3d69 s SER 177 N 0.32 0.95 0.03 2.29 0.01 -1.17 0.55 113.70 116.68 3d69 s SER 177 Ca 0.43 -0.60 -0.27 0.00 1.31 0.00 0.00 55.95 56.82 3d69 s SER 177 Cb -0.21 0.03 0.08 0.00 0.21 0.00 0.00 66.02 66.14 3d69 s SER 177 CO 0.24 -0.22 0.72 -1.48 0.41 0.00 0.00 173.24 172.92 3d69 s LEU 178 N -1.73 -0.54 0.30 2.44 0.05 -0.84 -0.98 118.68 117.38 3d69 s LEU 178 Ca -0.07 0.26 0.06 0.00 0.05 0.00 0.00 54.13 54.43 3d69 s LEU 178 Cb -0.09 2.40 -0.06 0.00 -2.05 0.00 0.00 46.19 46.39 3d69 s LEU 178 CO 0.00 -0.73 -0.03 -0.44 -0.55 0.00 0.00 176.35 174.60 3d69 s SER 179 N -2.05 2.80 0.11 1.48 0.01 -1.26 -1.99 113.70 112.79 3d69 s SER 179 Ca -0.02 -1.24 0.04 0.00 1.31 0.00 0.00 55.95 56.04 3d69 s SER 179 Cb -0.01 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 3d69 s SER 179 CO -0.04 -0.40 -0.11 -0.55 0.41 0.00 0.00 173.24 172.55 3d69 s SER 180 N -3.48 1.64 0.02 2.44 0.15 -0.88 -2.41 113.70 111.18 3d69 s SER 180 Ca 0.31 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 56.15 3d69 s SER 180 Cb 0.05 -0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.33 3d69 s SER 180 CO 0.13 -0.23 -0.03 0.68 1.20 0.00 0.00 173.24 175.00 3d69 s VAL 181 N -2.37 0.11 0.11 4.45 -7.23 -1.17 -2.35 120.40 111.95 3d69 s VAL 181 Ca 0.07 -0.79 0.04 0.00 -1.81 0.00 0.00 61.98 59.48 3d69 s VAL 181 Cb -0.03 -0.24 -0.04 0.00 0.56 0.00 0.00 36.38 36.63 3d69 s VAL 181 CO 0.01 -0.43 -0.10 0.54 -0.31 0.00 0.00 175.10 174.81 3d69 s VAL 182 N -1.26 1.00 -0.04 1.32 0.11 0.23 -2.78 120.40 118.99 3d69 s VAL 182 Ca -0.14 -1.78 0.03 0.00 -2.93 0.00 0.00 61.98 57.17 3d69 s VAL 182 Cb -0.09 -1.53 0.00 0.00 -1.53 0.00 0.00 36.38 33.24 3d69 s VAL 182 CO -0.01 -0.63 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.11 3d69 s THR 183 N -2.76 1.18 0.31 5.04 2.01 -0.40 -0.93 115.64 120.09 3d69 s THR 183 Ca 0.09 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 3d69 s THR 183 Cb -0.01 -1.03 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 3d69 s THR 183 CO -0.00 0.35 0.42 0.68 -0.69 0.00 0.00 174.62 175.38 3d69 s VAL 184 N 0.16 0.00 -0.31 3.82 -7.23 -1.18 -4.83 120.40 110.84 3d69 s VAL 184 Ca -0.05 -1.65 -0.29 0.00 -1.81 0.00 0.00 61.98 58.18 3d69 s VAL 184 Cb -0.11 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 3d69 s VAL 184 CO 0.02 0.00 1.62 -2.84 -0.31 0.00 0.00 175.10 173.59 3d69 s PRO 185 N -3.34 3.58 0.00 4.82 0.02 -1.26 -4.27 135.00 134.55 3d69 s PRO 185 Ca 0.31 1.40 0.00 0.00 0.02 0.00 0.00 61.00 62.73 3d69 s PRO 185 Cb 0.01 -4.09 0.00 0.00 0.02 0.00 0.00 34.50 30.44 3d69 s PRO 185 CO 0.19 -1.55 0.82 -1.13 -0.33 0.00 0.00 177.00 174.99 3d69 n SER 186 N 9.17 0.00 0.08 2.53 3.41 -1.26 0.19 113.62 127.74 3d69 n SER 186 Ca 0.20 0.33 0.13 0.00 -0.26 0.00 0.00 58.87 59.27 3d69 n SER 186 Cb 0.46 -0.33 0.31 0.00 -0.26 0.00 0.00 64.21 64.40 3d69 n SER 186 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3d69 n SER 187 N -1.32 0.75 -2.56 4.04 7.64 -1.26 -3.94 113.62 116.98 3d69 n SER 187 Ca 0.00 0.38 -0.35 0.00 1.01 0.00 0.00 58.87 59.91 3d69 n SER 187 Cb 0.12 -0.40 0.05 0.00 -1.01 0.00 0.00 64.21 62.98 3d69 n SER 187 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3d69 n SER 188 N -2.18 7.11 -4.67 6.43 3.41 0.50 -4.95 113.62 119.27 3d69 n SER 188 Ca 0.05 -3.80 -0.37 0.00 -0.26 0.00 0.00 58.87 54.49 3d69 n SER 188 Cb 0.43 -0.91 -0.09 0.00 -0.26 0.00 0.00 64.21 63.38 3d69 n SER 188 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3d69 s LEU 189 N -3.88 4.13 0.00 1.04 1.02 -1.25 -3.78 118.68 115.95 3d69 s LEU 189 Ca 0.57 0.22 0.00 0.00 0.02 0.00 0.00 54.13 54.94 3d69 s LEU 189 Cb 0.46 -2.21 0.00 0.00 0.02 0.00 0.00 46.19 44.46 3d69 s LEU 189 CO -0.19 0.03 0.00 0.61 0.02 0.00 0.00 176.35 176.82 3d69 n GLY 190 N 4.16 0.93 0.00 -3.19 0.00 -1.26 -4.87 105.19 100.96 3d69 n GLY 190 Ca -0.13 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3d69 n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3d69 n THR 191 N -2.42 0.00 -5.02 2.61 -2.24 -1.26 -5.11 114.28 100.84 3d69 n THR 191 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 3d69 n THR 191 Cb 0.46 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.54 3d69 n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3d69 s GLN 192 N -0.73 1.76 -0.32 -0.78 2.00 -1.25 -5.11 119.66 115.23 3d69 s GLN 192 Ca 0.00 -0.87 -0.14 0.00 -2.00 0.00 0.00 55.36 52.35 3d69 s GLN 192 Cb 0.00 -1.76 -0.02 0.00 0.80 0.00 0.00 33.01 32.03 3d69 s GLN 192 CO 0.00 0.47 0.31 0.99 -0.50 0.00 0.00 175.29 176.56 3d69 s THR 193 N -0.61 5.22 -0.18 -0.34 2.01 -1.26 -4.95 115.64 115.52 3d69 s THR 193 Ca 0.09 0.12 -0.03 0.00 0.31 0.00 0.00 61.69 62.18 3d69 s THR 193 Cb -0.09 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 3d69 s THR 193 CO -0.00 0.03 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.58 3d69 s TYR 194 N 1.93 2.92 0.02 4.92 1.51 -1.26 -4.97 117.35 122.41 3d69 s TYR 194 Ca 0.10 -0.78 -0.05 0.00 -1.01 0.00 0.00 57.07 55.34 3d69 s TYR 194 Cb -0.16 -2.00 -0.01 0.00 -0.11 0.00 0.00 41.96 39.68 3d69 s TYR 194 CO 0.11 -0.38 0.09 0.42 -1.11 0.00 0.00 175.55 174.68 3d69 s ILE 195 N 0.97 0.11 -0.20 2.71 1.09 -1.26 -1.90 121.20 122.73 3d69 s ILE 195 Ca -0.01 -0.94 -0.06 0.00 -1.10 0.00 0.00 60.65 58.55 3d69 s ILE 195 Cb -0.15 -0.65 -0.03 0.00 -1.06 0.00 0.00 42.46 40.57 3d69 s ILE 195 CO 0.00 -0.52 0.03 0.00 -0.10 0.00 0.00 174.94 174.35 3d69 n ASN 197 N 4.07 5.04 -4.42 0.00 3.02 0.29 -3.85 115.26 119.41 3d69 n ASN 197 Ca -0.17 -2.98 -0.29 0.00 -0.03 0.00 0.00 54.58 51.11 3d69 n ASN 197 Cb 0.52 -1.60 0.20 0.00 -0.61 0.00 0.00 39.78 38.29 3d69 n ASN 197 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3d69 s VAL 198 N 2.06 1.88 -0.29 2.41 1.01 -0.72 -2.96 120.40 123.78 3d69 s VAL 198 Ca 0.45 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 3d69 s VAL 198 Cb 0.02 -2.46 0.17 0.00 0.00 0.00 0.00 36.38 34.11 3d69 s VAL 198 CO 0.01 0.00 1.07 0.21 0.00 0.00 0.00 175.10 176.40 3d69 s ASN 199 N -3.52 -0.37 -0.34 3.32 2.47 -1.02 -3.54 114.94 111.95 3d69 s ASN 199 Ca 0.67 0.57 -0.01 0.00 0.42 0.00 0.00 52.86 54.51 3d69 s ASN 199 Cb -0.17 1.20 0.13 0.00 -1.45 0.00 0.00 41.25 40.96 3d69 s ASN 199 CO 0.58 -0.09 0.19 -2.28 -3.72 0.00 0.00 177.10 171.77 3d69 s HIS 200 N 1.42 0.77 0.12 0.43 5.65 -0.35 -2.39 115.29 120.94 3d69 s HIS 200 Ca -0.08 -1.51 -0.27 0.00 0.25 0.00 0.00 55.06 53.45 3d69 s HIS 200 Cb -0.03 -1.03 -0.07 0.00 -1.18 0.00 0.00 32.58 30.26 3d69 s HIS 200 CO -0.14 -0.83 1.63 0.87 -0.65 0.00 0.00 174.74 175.63 3d69 h LYS 201 N 7.39 -0.44 -0.10 2.88 1.57 -1.80 -0.01 116.57 126.05 3d69 h LYS 201 Ca -0.02 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3d69 h LYS 201 Cb 0.98 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 3d69 h LYS 201 CO 0.34 -0.29 0.69 -1.35 -0.57 0.00 0.00 179.45 178.26 3d69 h PRO 202 N -0.46 0.00 -0.00 3.15 0.11 -1.88 2.61 132.00 135.52 3d69 h PRO 202 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3d69 h PRO 202 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3d69 h PRO 202 CO -0.19 0.00 -0.31 -1.13 -0.21 0.00 0.00 178.00 176.16 3d69 n SER 203 N -2.80 0.95 -3.48 -2.05 3.41 -0.80 -4.70 113.62 104.15 3d69 n SER 203 Ca 0.01 -0.98 -0.21 0.00 -0.26 0.00 0.00 58.87 57.44 3d69 n SER 203 Cb 0.74 0.66 0.06 0.00 -0.26 0.00 0.00 64.21 65.42 3d69 n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3d69 n ASN 204 N -0.61 -4.51 -4.00 4.04 4.13 0.88 -4.96 115.26 110.23 3d69 n ASN 204 Ca 0.03 -0.80 -0.10 0.00 1.68 0.00 0.00 54.58 55.39 3d69 n ASN 204 Cb 0.19 -4.48 -0.11 0.00 -1.54 0.00 0.00 39.78 33.84 3d69 n ASN 204 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3d69 s THR 205 N -3.47 0.23 0.08 3.41 2.01 -0.71 -5.00 115.64 112.20 3d69 s THR 205 Ca 0.30 -0.97 0.06 0.00 0.31 0.00 0.00 61.69 61.39 3d69 s THR 205 Cb -0.07 -0.38 -0.03 0.00 0.01 0.00 0.00 72.50 72.03 3d69 s THR 205 CO 0.79 -0.48 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.55 3d69 s LYS 206 N -1.54 0.88 -0.01 4.92 1.02 -1.26 -1.21 119.74 122.54 3d69 s LYS 206 Ca -0.14 -1.03 -0.06 0.00 0.02 0.00 0.00 55.97 54.76 3d69 s LYS 206 Cb -0.10 -0.89 0.00 0.00 -0.52 0.00 0.00 37.83 36.32 3d69 s LYS 206 CO -0.01 0.19 0.13 0.08 -0.92 0.00 0.00 175.35 174.83 3d69 s VAL 207 N -1.43 0.06 -0.46 3.17 1.01 -1.23 -4.96 120.40 116.56 3d69 s VAL 207 Ca 0.01 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.57 3d69 s VAL 207 Cb -0.09 -0.35 0.30 0.00 0.00 0.00 0.00 36.38 36.23 3d69 s VAL 207 CO 0.03 -0.27 0.70 0.47 0.00 0.00 0.00 175.10 176.02 3d69 n ASP 208 N 1.93 1.75 -4.70 3.32 8.00 -1.26 -1.76 116.55 123.82 3d69 n ASP 208 Ca -0.20 -3.09 -0.42 0.00 0.71 0.00 0.00 54.79 51.79 3d69 n ASP 208 Cb 0.57 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 3d69 n ASP 208 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3d69 s LYS 209 N -2.19 4.31 -0.50 -1.24 -0.14 -1.25 -4.81 119.74 113.92 3d69 s LYS 209 Ca 0.40 1.98 -0.13 0.00 -1.36 0.00 0.00 55.97 56.86 3d69 s LYS 209 Cb 0.24 -3.44 0.12 0.00 -1.68 0.00 0.00 37.83 33.07 3d69 s LYS 209 CO -0.09 -0.49 0.41 0.15 -0.76 0.00 0.00 175.35 174.58 3d69 s LYS 210 N 1.80 2.76 0.34 1.68 1.02 -1.26 -2.02 119.74 124.05 3d69 s LYS 210 Ca 0.64 -1.69 -0.28 0.00 0.02 0.00 0.00 55.97 54.66 3d69 s LYS 210 Cb -0.33 -4.10 -0.10 0.00 -0.52 0.00 0.00 37.83 32.78 3d69 s LYS 210 CO 0.28 -1.23 1.24 0.08 -0.92 0.00 0.00 175.35 174.81 3d69 s VAL 211 N 1.50 2.93 0.22 3.17 1.01 -0.80 -4.98 120.40 123.45 3d69 s VAL 211 Ca 0.04 0.89 0.05 0.00 0.00 0.00 0.00 61.98 62.97 3d69 s VAL 211 Cb -0.28 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 3d69 s VAL 211 CO 0.02 0.18 -0.05 -1.61 0.00 0.00 0.00 175.10 173.64 3d69 s GLU 212 N -1.87 1.34 0.06 2.72 0.41 -1.26 -4.52 118.70 115.58 3d69 s GLU 212 Ca 0.50 -1.65 -0.31 0.00 -0.41 0.00 0.00 54.97 53.11 3d69 s GLU 212 Cb -0.36 -0.82 -0.06 0.00 -1.78 0.00 0.00 34.13 31.11 3d69 s GLU 212 CO 0.48 0.01 1.21 -2.14 -0.49 0.00 0.00 175.26 174.32 3d69 s PRO 213 N -3.78 4.42 -1.12 0.39 0.02 -1.26 -4.41 135.00 129.26 3d69 s PRO 213 Ca 0.26 1.78 -0.25 0.00 0.02 0.00 0.00 61.00 62.81 3d69 s PRO 213 Cb 0.04 -3.35 -0.18 0.00 0.02 0.00 0.00 34.50 31.03 3d69 s PRO 213 CO 0.08 -0.27 2.04 1.17 -0.33 0.00 0.00 177.00 179.68 3d69 n LYS 214 N 3.97 0.73 -0.95 5.54 3.00 -1.26 -4.78 118.16 124.42 3d69 n LYS 214 Ca 0.09 -2.03 -0.12 0.00 -0.00 0.00 0.00 58.31 56.26 3d69 n LYS 214 Cb 0.46 -3.85 -0.16 0.00 0.00 0.00 0.00 35.03 31.48 3d69 n LYS 214 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3d69 n SER 215 N 17.59 5.02 -3.95 3.14 2.88 -1.26 -4.81 113.62 132.24 3d69 n SER 215 Ca 0.43 -2.43 -0.17 0.00 -1.33 0.00 0.00 58.87 55.37 3d69 n SER 215 Cb 0.47 -1.34 -0.09 0.00 -0.75 0.00 0.00 64.21 62.49 3d69 n SER 215 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81