#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dmd n SER 0 N 0.00 1.54 -4.73 0.00 3.41 -1.26 -4.90 113.62 107.68 3dmd n SER 0 Ca 0.00 -1.73 -0.42 0.00 -0.26 0.00 0.00 58.87 56.46 3dmd n SER 0 Cb 0.00 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 63.49 3dmd n SER 0 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3dmd s MET 1 N -0.56 4.21 -1.58 4.33 0.00 -1.26 -1.96 119.30 122.47 3dmd s MET 1 Ca 0.00 2.40 0.00 0.00 0.00 0.00 0.00 55.69 58.09 3dmd s MET 1 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 34.83 31.71 3dmd s MET 1 CO 0.00 -0.58 0.00 1.19 0.00 0.00 0.00 175.02 175.63 3dmd n PHE 2 N 3.37 -0.44 -0.22 4.11 3.72 0.37 -4.84 117.46 123.53 3dmd n PHE 2 Ca 0.12 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.53 3dmd n PHE 2 Cb 0.38 -2.91 0.13 0.00 -0.94 0.00 0.00 39.48 36.15 3dmd n PHE 2 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3dmd h GLY 3 N 0.00 0.90 1.43 1.37 0.00 -0.98 -0.77 103.07 105.02 3dmd h GLY 3 Ca -0.33 -0.09 -0.13 0.00 0.00 0.00 0.00 47.33 46.78 3dmd h GLY 3 CO 0.46 -0.08 -0.39 1.70 0.00 0.00 0.00 176.54 178.23 3dmd h LYS 4 N 0.36 0.63 -0.24 4.80 3.64 -1.48 -1.12 116.57 123.15 3dmd h LYS 4 Ca 0.34 -0.31 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3dmd h LYS 4 Cb 0.49 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3dmd h LYS 4 CO -0.37 0.91 -0.02 1.25 -2.27 0.00 0.00 179.45 178.95 3dmd h LEU 5 N 0.52 0.44 -0.61 5.20 5.85 -0.83 -2.59 115.31 123.29 3dmd h LEU 5 Ca 0.05 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.48 3dmd h LEU 5 Cb 0.90 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 3dmd h LEU 5 CO 0.08 0.66 0.35 -0.09 -0.34 0.00 0.00 178.44 179.10 3dmd h ARG 6 N 0.21 0.66 -0.65 1.25 2.43 -1.03 -1.50 114.38 115.75 3dmd h ARG 6 Ca 0.07 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3dmd h ARG 6 Cb 0.45 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 3dmd h ARG 6 CO 0.02 0.44 0.28 1.49 -1.51 0.00 0.00 179.97 180.69 3dmd h GLU 7 N 0.68 0.94 0.00 0.20 4.81 -1.12 0.80 114.58 120.89 3dmd h GLU 7 Ca 0.26 -0.14 -0.23 0.00 -0.13 0.00 0.00 59.36 59.12 3dmd h GLU 7 Cb 0.10 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3dmd h GLU 7 CO -0.14 0.75 -0.95 0.87 -0.73 0.00 0.00 179.01 178.81 3dmd h LYS 8 N 0.93 0.42 -0.44 1.92 1.79 -1.02 -1.35 116.57 118.82 3dmd h LYS 8 Ca 0.22 -0.45 -0.14 0.00 -2.18 0.00 0.00 60.65 58.10 3dmd h LYS 8 Cb 0.14 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 3dmd h LYS 8 CO -0.02 1.12 -0.27 -0.07 -1.08 0.00 0.00 179.45 179.12 3dmd h LEU 9 N 0.24 0.97 -0.25 2.94 3.38 -1.05 -2.12 115.31 119.41 3dmd h LEU 9 Ca -0.08 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3dmd h LEU 9 Cb 1.59 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 3dmd h LEU 9 CO 0.16 1.17 0.16 0.50 0.09 0.00 0.00 178.44 180.52 3dmd h LYS 10 N 0.79 0.33 -0.81 1.13 3.64 -0.81 -2.06 116.57 118.78 3dmd h LYS 10 Ca 0.09 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3dmd h LYS 10 Cb 0.84 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.55 3dmd h LYS 10 CO 0.07 0.23 0.53 1.03 -2.27 0.00 0.00 179.45 179.04 3dmd h SER 11 N 0.33 0.94 0.15 4.20 0.87 -1.13 -1.84 113.55 117.07 3dmd h SER 11 Ca 0.09 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3dmd h SER 11 Cb -0.02 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 3dmd h SER 11 CO -0.02 0.69 -0.07 0.15 -0.53 0.00 0.00 176.83 177.05 3dmd h PHE 12 N 1.10 -0.18 -0.33 2.24 3.57 -1.12 -2.21 116.94 120.01 3dmd h PHE 12 Ca 0.30 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.85 3dmd h PHE 12 Cb -0.11 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.63 3dmd h PHE 12 CO 0.00 -0.08 -0.04 0.28 -2.23 0.00 0.00 178.31 176.25 3dmd h VAL 13 N -0.24 0.72 -0.41 1.41 2.07 -0.85 -2.27 116.25 116.68 3dmd h VAL 13 Ca -0.02 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.54 3dmd h VAL 13 Cb 0.19 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 3dmd h VAL 13 CO 0.03 0.01 0.11 0.11 0.02 0.00 0.00 177.57 177.85 3dmd h LYS 14 N 0.05 0.25 -0.38 1.57 1.57 -1.33 0.21 116.57 118.51 3dmd h LYS 14 Ca 0.16 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.98 3dmd h LYS 14 Cb 0.23 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 3dmd h LYS 14 CO -0.30 0.16 0.09 0.00 -0.57 0.00 0.00 179.45 178.84 3dmd h ARG 15 N 0.25 0.22 -0.41 3.15 3.08 -0.97 -0.85 114.38 118.85 3dmd h ARG 15 Ca 0.19 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.13 3dmd h ARG 15 Cb 0.21 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3dmd h ARG 15 CO -0.23 0.15 -0.13 0.28 -1.07 0.00 0.00 179.97 178.97 3dmd h VAL 16 N 0.23 1.28 -0.80 2.04 2.07 -1.16 -2.58 116.25 117.33 3dmd h VAL 16 Ca 0.18 -1.24 0.08 0.00 0.82 0.00 0.00 66.70 66.54 3dmd h VAL 16 Cb 0.20 1.22 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 3dmd h VAL 16 CO -0.22 0.42 0.46 -0.08 0.02 0.00 0.00 177.57 178.16 3dmd h GLU 17 N 0.64 0.77 -0.22 1.57 4.81 -0.55 0.15 114.58 121.75 3dmd h GLU 17 Ca 0.10 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 3dmd h GLU 17 Cb 0.67 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 3dmd h GLU 17 CO 0.05 0.51 -0.27 1.49 -0.73 0.00 0.00 179.01 180.06 3dmd h GLU 18 N 0.79 0.42 -0.27 1.92 4.81 -1.04 -0.34 114.58 120.87 3dmd h GLU 18 Ca 0.37 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 3dmd h GLU 18 Cb 0.30 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3dmd h GLU 18 CO -0.22 0.66 -0.23 0.93 -0.73 0.00 0.00 179.01 179.42 3dmd h GLU 19 N 0.37 0.64 -0.96 1.92 4.39 -0.81 -2.12 114.58 118.02 3dmd h GLU 19 Ca 0.05 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.44 3dmd h GLU 19 Cb 0.67 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.28 3dmd h GLU 19 CO 0.05 0.92 0.62 0.28 -1.16 0.00 0.00 179.01 179.72 3dmd h VAL 20 N 0.37 1.25 -0.61 3.13 2.07 -0.59 -2.08 116.25 119.79 3dmd h VAL 20 Ca 0.05 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 3dmd h VAL 20 Cb 0.78 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3dmd h VAL 20 CO 0.06 0.25 0.27 -0.08 0.02 0.00 0.00 177.57 178.09 3dmd h GLU 21 N 1.30 0.87 -0.36 1.57 4.57 -0.93 -0.76 114.58 120.84 3dmd h GLU 21 Ca 0.35 -0.12 -0.09 0.00 -1.18 0.00 0.00 59.36 58.32 3dmd h GLU 21 Cb -0.12 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.29 3dmd h GLU 21 CO -0.07 0.69 -0.14 0.87 -1.18 0.00 0.00 179.01 179.18 3dmd h LYS 22 N 0.87 0.64 -0.63 1.92 1.57 -0.99 -2.11 116.57 117.83 3dmd h LYS 22 Ca 0.21 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3dmd h LYS 22 Cb 0.13 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3dmd h LYS 22 CO -0.02 0.75 0.12 0.93 -0.57 0.00 0.00 179.45 180.66 3dmd h GLU 23 N 0.58 1.01 -0.41 3.15 4.39 -0.51 0.27 114.58 123.06 3dmd h GLU 23 Ca 0.10 -0.25 -0.12 0.00 0.34 0.00 0.00 59.36 59.43 3dmd h GLU 23 Cb 0.57 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 3dmd h GLU 23 CO 0.04 0.92 -0.20 0.93 -1.16 0.00 0.00 179.01 179.54 3dmd h GLU 24 N 0.96 0.87 -0.15 2.33 5.08 -1.03 -2.40 114.58 120.23 3dmd h GLU 24 Ca 0.20 -0.38 -0.12 0.00 -1.00 0.00 0.00 59.36 58.06 3dmd h GLU 24 Cb 0.39 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3dmd h GLU 24 CO 0.01 1.02 -0.41 0.93 -1.00 0.00 0.00 179.01 179.56 3dmd h GLU 25 N 0.68 0.35 -0.24 2.33 5.08 -1.05 -0.66 114.58 121.07 3dmd h GLU 25 Ca 0.09 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3dmd h GLU 25 Cb 0.77 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 3dmd h GLU 25 CO 0.06 0.71 0.14 1.49 -1.00 0.00 0.00 179.01 180.41 3dmd h GLU 26 N 0.29 0.28 -0.41 2.33 4.81 -0.84 0.34 114.58 121.38 3dmd h GLU 26 Ca 0.03 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3dmd h GLU 26 Cb 0.86 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 3dmd h GLU 26 CO 0.07 0.18 0.25 0.28 -0.73 0.00 0.00 179.01 179.07 3dmd h VAL 27 N 0.29 1.12 -0.83 0.32 2.07 -0.88 -0.62 116.25 117.72 3dmd h VAL 27 Ca 0.09 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3dmd h VAL 27 Cb -0.00 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 3dmd h VAL 27 CO -0.05 0.12 0.53 -0.33 0.02 0.00 0.00 177.57 177.87 3dmd h GLU 28 N 0.54 1.11 -0.24 1.57 5.08 -0.90 -2.51 114.58 119.23 3dmd h GLU 28 Ca 0.15 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 3dmd h GLU 28 Cb -0.02 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 3dmd h GLU 28 CO -0.03 0.75 -0.33 -0.22 -1.00 0.00 0.00 179.01 178.18 3dmd h LYS 29 N 1.13 0.66 0.00 2.33 3.64 0.23 -2.90 116.57 121.65 3dmd h LYS 29 Ca 0.30 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3dmd h LYS 29 Cb -0.10 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3dmd h LYS 29 CO -0.06 0.99 0.00 1.63 -2.27 0.00 0.00 179.45 179.74 3dmd n LYS 30 N -4.26 0.68 -2.90 1.90 4.76 -0.29 -4.86 118.16 113.18 3dmd n LYS 30 Ca -0.05 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.24 3dmd n LYS 30 Cb 0.50 -1.48 0.03 0.00 -1.84 0.00 0.00 35.03 32.24 3dmd n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dmd n GLY 31 N 0.35 -0.10 0.62 0.72 0.00 -1.10 -4.92 105.19 100.76 3dmd n GLY 31 Ca 0.16 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.17 3dmd n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dmd n LEU 32 N -3.00 1.91 0.11 0.99 4.77 -0.96 -4.29 117.00 116.52 3dmd n LEU 32 Ca -0.05 -0.70 0.09 0.00 -0.03 0.00 0.00 56.01 55.32 3dmd n LEU 32 Cb 0.57 -0.05 0.44 0.00 -2.33 0.00 0.00 43.42 42.05 3dmd n LEU 32 CO 0.35 0.35 0.79 0.18 -1.33 0.00 0.00 177.39 177.73 3dmd n LEU 33 N 0.48 0.46 0.01 2.23 4.77 -1.26 -0.91 117.00 122.79 3dmd n LEU 33 Ca 0.17 0.66 0.13 0.00 -0.03 0.00 0.00 56.01 56.95 3dmd n LEU 33 Cb 0.40 -0.65 0.58 0.00 -2.33 0.00 0.00 43.42 41.42 3dmd n LEU 33 CO 0.15 -0.65 0.94 -0.90 -1.33 0.00 0.00 177.39 175.59 3dmd n ASP 34 N -2.06 0.07 0.00 -1.43 5.75 -1.26 -4.15 116.55 113.47 3dmd n ASP 34 Ca 0.01 0.51 0.00 0.00 -0.01 0.00 0.00 54.79 55.30 3dmd n ASP 34 Cb 0.12 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 3dmd n ASP 34 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3dmd n ARG 35 N -1.57 2.79 -3.88 0.11 1.74 -0.08 -5.08 116.66 110.69 3dmd n ARG 35 Ca 0.07 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.01 3dmd n ARG 35 Cb 0.33 -0.90 -0.15 0.00 -1.02 0.00 0.00 32.46 30.73 3dmd n ARG 35 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3dmd s ILE 36 N -1.75 0.04 0.00 0.55 -4.36 -0.13 -5.02 121.20 110.53 3dmd s ILE 36 Ca 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 60.65 60.42 3dmd s ILE 36 Cb 0.00 -0.08 0.00 0.00 1.25 0.00 0.00 42.46 43.63 3dmd s ILE 36 CO 0.00 0.04 0.81 0.18 0.24 0.00 0.00 174.94 176.22 3dmd n LEU 37 N 3.38 1.61 -4.20 0.37 4.77 -1.26 -4.18 117.00 117.48 3dmd n LEU 37 Ca -0.17 -1.61 -0.17 0.00 -0.03 0.00 0.00 56.01 54.03 3dmd n LEU 37 Cb 0.57 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.55 3dmd n LEU 37 CO 0.25 0.40 -0.45 0.42 -1.33 0.00 0.00 177.39 176.68 3dmd s THR 38 N -0.64 1.17 0.16 -5.08 -4.23 -1.26 -0.55 115.64 105.21 3dmd s THR 38 Ca 0.00 -1.55 0.08 0.00 -1.18 0.00 0.00 61.69 59.03 3dmd s THR 38 Cb 0.00 -1.33 -0.04 0.00 1.34 0.00 0.00 72.50 72.47 3dmd s THR 38 CO 0.00 -0.38 -0.04 0.68 -0.54 0.00 0.00 174.62 174.35 3dmd s VAL 39 N -1.89 3.56 -0.24 2.29 -7.23 0.97 -4.91 120.40 112.95 3dmd s VAL 39 Ca 0.04 -1.44 -0.05 0.00 -1.81 0.00 0.00 61.98 58.72 3dmd s VAL 39 Cb -0.06 -2.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.10 3dmd s VAL 39 CO 0.02 -0.07 0.00 -0.70 -0.31 0.00 0.00 175.10 174.05 3dmd s GLU 40 N -2.79 3.42 0.16 4.82 2.12 -1.26 -0.22 118.70 124.96 3dmd s GLU 40 Ca 0.26 -0.61 -0.31 0.00 0.36 0.00 0.00 54.97 54.67 3dmd s GLU 40 Cb -0.09 -3.15 -0.11 0.00 0.26 0.00 0.00 34.13 31.04 3dmd s GLU 40 CO 0.17 -0.22 1.80 -0.89 -0.54 0.00 0.00 175.26 175.57 3dmd n ILE 41 N 4.84 0.22 -3.65 -3.70 5.41 -0.30 -4.83 119.36 117.35 3dmd n ILE 41 Ca -0.17 -0.04 -0.20 0.00 1.00 0.00 0.00 62.75 63.34 3dmd n ILE 41 Cb 0.51 -2.08 -0.02 0.00 -0.71 0.00 0.00 39.64 37.33 3dmd n ILE 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3dmd s LYS 42 N 2.11 2.88 0.31 0.38 1.02 -1.26 -0.22 119.74 124.95 3dmd s LYS 42 Ca 0.79 -1.19 -0.01 0.00 0.02 0.00 0.00 55.97 55.58 3dmd s LYS 42 Cb -0.48 -2.62 0.48 0.00 -0.52 0.00 0.00 37.83 34.69 3dmd s LYS 42 CO 0.35 0.06 1.96 0.93 -0.92 0.00 0.00 175.35 177.73 3dmd h GLU 43 N 1.08 1.04 0.00 1.68 5.08 -1.97 -1.16 114.58 120.33 3dmd h GLU 43 Ca -0.45 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3dmd h GLU 43 Cb 1.26 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3dmd h GLU 43 CO 0.56 0.69 0.00 0.36 -1.00 0.00 0.00 179.01 179.62 3dmd n LYS 44 N -4.43 0.18 0.18 2.33 2.85 -1.26 -1.08 118.16 116.93 3dmd n LYS 44 Ca 0.10 0.50 0.10 0.00 -1.05 0.00 0.00 58.31 57.96 3dmd n LYS 44 Cb 0.06 -1.90 0.10 0.00 -0.65 0.00 0.00 35.03 32.65 3dmd n LYS 44 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3dmd h ASP 45 N 0.00 0.00 0.00 -5.58 3.32 -1.60 -3.39 116.42 109.17 3dmd h ASP 45 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3dmd h ASP 45 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3dmd h ASP 45 CO 0.00 0.09 -1.29 1.33 -1.72 0.00 0.00 179.24 177.65 3dmd n VAL 46 N -3.02 0.18 0.06 -1.35 0.24 -0.69 -4.64 118.33 109.12 3dmd n VAL 46 Ca 0.02 -0.17 -0.13 0.00 -2.04 0.00 0.00 64.34 62.03 3dmd n VAL 46 Cb 0.57 -0.32 -0.08 0.00 -1.47 0.00 0.00 33.84 32.55 3dmd n VAL 46 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3dmd h ASP 47 N 0.00 -0.08 -0.84 -1.34 3.32 -1.30 0.34 116.42 116.53 3dmd h ASP 47 Ca -0.07 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 3dmd h ASP 47 Cb 0.83 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.36 3dmd h ASP 47 CO 0.00 0.05 0.51 0.50 -1.72 0.00 0.00 179.24 178.59 3dmd h LYS 48 N -0.20 1.13 -0.38 3.56 3.64 -1.85 0.03 116.57 122.50 3dmd h LYS 48 Ca -0.01 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 3dmd h LYS 48 Cb 0.17 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3dmd h LYS 48 CO 0.01 0.78 0.05 0.00 -2.27 0.00 0.00 179.45 178.03 3dmd h ALA 49 N 1.28 1.38 -0.07 5.00 0.00 -1.67 -1.14 119.26 124.03 3dmd h ALA 49 Ca 0.30 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 3dmd h ALA 49 Cb -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3dmd h ALA 49 CO -0.06 0.44 -0.62 -0.07 0.00 0.00 0.00 179.25 178.94 3dmd h LEU 50 N 0.56 0.31 -0.57 0.00 3.38 0.35 -1.79 115.31 117.54 3dmd h LEU 50 Ca 0.13 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 3dmd h LEU 50 Cb 0.28 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3dmd h LEU 50 CO 0.00 0.85 -0.42 0.44 0.09 0.00 0.00 178.44 179.41 3dmd h ASP 51 N 0.20 0.72 1.28 -0.43 3.32 -0.30 -2.08 116.42 119.13 3dmd h ASP 51 Ca -0.01 -0.33 -0.10 0.00 0.02 0.00 0.00 57.03 56.61 3dmd h ASP 51 Cb 1.14 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 3dmd h ASP 51 CO 0.10 1.05 -0.45 -0.33 -1.72 0.00 0.00 179.24 177.88 3dmd h GLU 52 N 0.55 0.00 -0.34 3.56 5.08 -1.19 -2.88 114.58 119.36 3dmd h GLU 52 Ca 0.04 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.23 3dmd h GLU 52 Cb 0.95 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 3dmd h GLU 52 CO 0.09 0.45 -0.46 1.25 -1.00 0.00 0.00 179.01 179.34 3dmd h LEU 53 N 0.00 1.00 -0.51 1.33 5.85 -1.12 -0.46 115.31 121.40 3dmd h LEU 53 Ca -0.00 -0.49 0.03 0.00 0.84 0.00 0.00 57.88 58.26 3dmd h LEU 53 Cb 1.22 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 3dmd h LEU 53 CO 0.06 1.30 0.28 -0.08 -0.34 0.00 0.00 178.44 179.66 3dmd h GLU 54 N 0.73 0.54 0.37 1.25 4.81 -1.32 0.12 114.58 121.08 3dmd h GLU 54 Ca 0.04 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3dmd h GLU 54 Cb 1.06 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.32 3dmd h GLU 54 CO 0.11 0.36 -0.18 0.82 -0.73 0.00 0.00 179.01 179.38 3dmd h ILE 55 N 0.55 0.64 -0.97 2.32 2.04 -1.36 -2.27 117.51 118.47 3dmd h ILE 55 Ca 0.21 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.97 3dmd h ILE 55 Cb 0.08 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 36.82 3dmd h ILE 55 CO -0.12 0.03 0.63 0.44 0.00 0.00 0.00 178.15 179.13 3dmd h ASP 56 N -0.59 1.01 -0.07 1.72 3.32 -0.85 -2.26 116.42 118.70 3dmd h ASP 56 Ca -0.05 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.75 3dmd h ASP 56 Cb 0.44 -0.21 0.02 0.00 0.22 0.00 0.00 39.33 39.79 3dmd h ASP 56 CO 0.08 0.66 -0.92 -0.07 -1.72 0.00 0.00 179.24 177.27 3dmd h LEU 57 N 1.15 0.94 -1.31 1.55 3.38 -0.73 -1.89 115.31 118.41 3dmd h LEU 57 Ca 0.41 -0.68 0.06 0.00 0.09 0.00 0.00 57.88 57.75 3dmd h LEU 57 Cb 0.13 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3dmd h LEU 57 CO -0.15 1.49 0.50 -0.07 0.09 0.00 0.00 178.44 180.30 3dmd h LEU 58 N 0.47 0.74 -0.77 1.67 3.38 -1.24 -0.76 115.31 118.79 3dmd h LEU 58 Ca -0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3dmd h LEU 58 Cb 1.56 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 3dmd h LEU 58 CO 0.18 0.49 -0.14 -0.33 0.09 0.00 0.00 178.44 178.73 3dmd h GLU 59 N 0.85 0.00 -0.59 1.13 4.39 -1.26 -2.93 114.58 116.16 3dmd h GLU 59 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 3dmd h GLU 59 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3dmd h GLU 59 CO -0.11 0.14 0.00 0.00 -1.16 0.00 0.00 179.01 177.88 3dmd n ALA 60 N -2.15 2.85 -1.10 3.43 0.00 -0.47 -4.91 120.51 118.16 3dmd n ALA 60 Ca 0.02 -1.00 -0.03 0.00 0.00 0.00 0.00 53.44 52.42 3dmd n ALA 60 Cb 0.46 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.88 3dmd n ALA 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dmd n ASP 61 N 0.68 -3.44 -4.68 0.00 8.00 -1.05 -2.96 116.55 113.08 3dmd n ASP 61 Ca 0.17 0.09 -0.42 0.00 0.71 0.00 0.00 54.79 55.33 3dmd n ASP 61 Cb 0.60 -1.25 -0.03 0.00 -0.02 0.00 0.00 41.12 40.43 3dmd n ASP 61 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dmd s VAL 62 N -2.12 4.70 0.33 2.53 1.01 -0.42 -2.84 120.40 123.59 3dmd s VAL 62 Ca 0.00 1.98 -0.28 0.00 0.00 0.00 0.00 61.98 63.68 3dmd s VAL 62 Cb 0.00 -4.27 -0.13 0.00 0.00 0.00 0.00 36.38 31.98 3dmd s VAL 62 CO 0.00 -0.01 1.12 0.00 0.00 0.00 0.00 175.10 176.21 3dmd n ALA 63 N 5.15 0.41 -0.23 5.51 0.00 -1.26 -4.40 120.51 125.69 3dmd n ALA 63 Ca 0.09 0.36 0.03 0.00 0.00 0.00 0.00 53.44 53.92 3dmd n ALA 63 Cb 0.48 -2.12 0.15 0.00 0.00 0.00 0.00 19.45 17.96 3dmd n ALA 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3dmd h LEU 64 N 2.15 0.03 -0.96 0.00 5.85 -1.98 0.11 115.31 120.51 3dmd h LEU 64 Ca -0.43 0.13 0.12 0.00 0.84 0.00 0.00 57.88 58.54 3dmd h LEU 64 Cb 1.32 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 42.43 3dmd h LEU 64 CO 0.61 -0.00 0.59 -0.08 -0.34 0.00 0.00 178.44 179.22 3dmd h GLU 65 N 0.28 0.91 0.02 1.25 4.81 -2.00 -0.61 114.58 119.24 3dmd h GLU 65 Ca 0.37 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 59.32 3dmd h GLU 65 Cb 0.58 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 3dmd h GLU 65 CO -0.45 0.60 -0.96 0.28 -0.73 0.00 0.00 179.01 177.75 3dmd h VAL 66 N 0.94 1.44 -0.64 0.32 2.07 -1.19 -2.22 116.25 116.97 3dmd h VAL 66 Ca 0.48 -2.58 0.01 0.00 0.82 0.00 0.00 66.70 65.43 3dmd h VAL 66 Cb 0.49 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 3dmd h VAL 66 CO -0.27 0.76 0.42 0.58 0.02 0.00 0.00 177.57 179.08 3dmd h VAL 67 N 0.17 1.15 -0.24 2.57 2.07 -0.25 0.39 116.25 122.11 3dmd h VAL 67 Ca -0.08 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 3dmd h VAL 67 Cb 1.61 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3dmd h VAL 67 CO 0.16 0.16 -0.02 0.44 0.02 0.00 0.00 177.57 178.32 3dmd h ASP 68 N 0.86 0.43 -0.51 0.57 3.32 -1.09 -1.22 116.42 118.78 3dmd h ASP 68 Ca 0.24 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 56.97 3dmd h ASP 68 Cb -0.08 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 3dmd h ASP 68 CO -0.06 0.67 0.32 0.00 -1.72 0.00 0.00 179.24 178.44 3dmd h ALA 69 N 0.78 0.65 0.12 3.45 0.00 -1.24 -2.32 119.26 120.72 3dmd h ALA 69 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3dmd h ALA 69 Cb 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3dmd h ALA 69 CO 0.02 0.04 -0.06 -0.07 0.00 0.00 0.00 179.25 179.17 3dmd h LEU 70 N 0.64 -0.14 -0.48 0.00 3.38 -0.86 -1.71 115.31 116.14 3dmd h LEU 70 Ca 0.20 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.20 3dmd h LEU 70 Cb -0.01 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.67 3dmd h LEU 70 CO -0.08 -0.03 -0.30 0.03 0.09 0.00 0.00 178.44 178.15 3dmd h ARG 71 N -0.24 -0.18 -0.24 1.13 3.08 -1.16 -1.08 114.38 115.70 3dmd h ARG 71 Ca -0.02 0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 3dmd h ARG 71 Cb 0.19 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3dmd h ARG 71 CO 0.03 -0.12 -0.53 1.05 -1.07 0.00 0.00 179.97 179.32 3dmd h GLU 72 N -0.19 0.69 -0.16 0.04 4.11 -1.32 0.09 114.58 117.83 3dmd h GLU 72 Ca 0.21 -0.42 0.01 0.00 0.07 0.00 0.00 59.36 59.22 3dmd h GLU 72 Cb 0.53 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3dmd h GLU 72 CO -0.59 1.04 0.08 0.87 0.07 0.00 0.00 179.01 180.48 3dmd h LYS 73 N 0.53 0.17 0.26 1.06 1.57 -1.05 -0.63 116.57 118.47 3dmd h LYS 73 Ca 0.02 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3dmd h LYS 73 Cb 1.10 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3dmd h LYS 73 CO 0.11 0.11 -0.12 0.82 -0.57 0.00 0.00 179.45 179.80 3dmd h ILE 74 N 0.17 0.78 -0.71 1.86 2.04 -0.96 -0.56 117.51 120.13 3dmd h ILE 74 Ca 0.07 -0.20 0.15 0.00 1.00 0.00 0.00 64.86 65.88 3dmd h ILE 74 Cb 0.01 0.89 -0.11 0.00 -0.74 0.00 0.00 36.82 36.88 3dmd h ILE 74 CO -0.05 0.04 0.16 0.50 0.00 0.00 0.00 178.15 178.80 3dmd h LYS 75 N -0.45 0.25 -0.46 2.37 3.64 -0.90 -0.35 116.57 120.67 3dmd h LYS 75 Ca -0.04 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 3dmd h LYS 75 Cb 0.34 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3dmd h LYS 75 CO 0.06 0.16 -0.09 0.37 -2.27 0.00 0.00 179.45 177.68 3dmd h GLN 76 N 0.26 0.82 0.00 1.90 -0.00 -0.81 -1.58 115.11 115.69 3dmd h GLN 76 Ca 0.39 -0.27 -0.14 0.00 -0.00 0.00 0.00 58.65 58.64 3dmd h GLN 76 Cb 0.66 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 28.04 3dmd h GLN 76 CO -0.50 0.88 -0.65 0.87 0.00 0.00 0.00 178.83 179.43 3dmd h LYS 77 N 0.75 0.00 0.00 1.69 1.57 0.09 -3.38 116.57 117.29 3dmd h LYS 77 Ca 0.13 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.61 3dmd h LYS 77 Cb 0.58 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 3dmd h LYS 77 CO 0.04 0.65 -1.67 1.28 -0.57 0.00 0.00 179.45 179.18 3dmd n LEU 78 N -3.76 1.89 -4.69 2.94 4.77 -0.26 -4.63 117.00 113.27 3dmd n LEU 78 Ca -0.01 0.40 -0.44 0.00 -0.03 0.00 0.00 56.01 55.93 3dmd n LEU 78 Cb 0.64 -0.91 -0.04 0.00 -2.33 0.00 0.00 43.42 40.78 3dmd n LEU 78 CO 0.42 0.35 1.41 0.52 -1.33 0.00 0.00 177.39 178.77 3dmd n VAL 79 N -4.38 0.29 -0.51 4.08 0.31 -0.61 -0.49 118.33 117.02 3dmd n VAL 79 Ca -0.39 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 3dmd n VAL 79 Cb 0.74 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 3dmd n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dmd n GLY 80 N 4.06 1.32 3.71 2.92 0.00 0.69 -4.95 105.19 112.94 3dmd n GLY 80 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3dmd n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dmd s LYS 81 N -0.25 4.33 -0.20 1.61 2.47 0.36 -4.70 119.74 123.36 3dmd s LYS 81 Ca 0.00 2.04 -0.21 0.00 -1.56 0.00 0.00 55.97 56.24 3dmd s LYS 81 Cb 0.00 -3.29 -0.03 0.00 -1.46 0.00 0.00 37.83 33.06 3dmd s LYS 81 CO 0.00 -0.43 0.62 0.15 0.16 0.00 0.00 175.35 175.85 3dmd s LYS 82 N 1.22 4.21 -0.13 4.03 1.02 -1.26 -1.16 119.74 127.67 3dmd s LYS 82 Ca 0.64 0.60 0.02 0.00 0.02 0.00 0.00 55.97 57.25 3dmd s LYS 82 Cb -0.36 -3.57 0.00 0.00 -0.52 0.00 0.00 37.83 33.38 3dmd s LYS 82 CO 0.30 -0.23 -0.19 0.14 -0.92 0.00 0.00 175.35 174.45 3dmd s VAL 83 N 1.87 2.37 0.19 3.17 -7.23 0.70 -4.97 120.40 116.50 3dmd s VAL 83 Ca 0.28 -0.89 -0.30 0.00 -1.81 0.00 0.00 61.98 59.27 3dmd s VAL 83 Cb -0.16 -1.96 -0.08 0.00 0.56 0.00 0.00 36.38 34.74 3dmd s VAL 83 CO 0.10 0.54 1.10 -0.60 -0.31 0.00 0.00 175.10 175.93 3dmd s ARG 84 N 0.64 4.60 0.29 4.82 3.52 -1.26 -0.02 118.95 131.54 3dmd s ARG 84 Ca -0.10 1.73 -0.30 0.00 -0.13 0.00 0.00 55.73 56.93 3dmd s ARG 84 Cb -0.16 -3.27 -0.12 0.00 -1.56 0.00 0.00 34.95 29.84 3dmd s ARG 84 CO 0.02 0.09 1.51 -0.89 -0.81 0.00 0.00 175.30 175.23 3dmd n ILE 85 N 2.26 1.19 -0.51 4.11 -0.00 0.28 -2.02 119.36 124.66 3dmd n ILE 85 Ca 0.02 -0.30 0.00 0.00 -0.00 0.00 0.00 62.75 62.48 3dmd n ILE 85 Cb 0.46 -1.82 0.00 0.00 -0.00 0.00 0.00 39.64 38.28 3dmd n ILE 85 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3dmd n GLY 86 N 1.87 0.76 3.94 7.39 0.00 -1.26 -5.01 105.19 112.88 3dmd n GLY 86 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 3dmd n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dmd s THR 87 N -3.01 3.24 -0.80 2.61 -4.23 -0.86 -5.02 115.64 107.57 3dmd s THR 87 Ca 0.00 -0.36 -0.26 0.00 -1.18 0.00 0.00 61.69 59.90 3dmd s THR 87 Cb 0.00 -3.26 0.04 0.00 1.34 0.00 0.00 72.50 70.62 3dmd s THR 87 CO 0.00 -0.22 1.29 -0.62 -0.54 0.00 0.00 174.62 174.53 3dmd s ASP 88 N -4.35 6.24 0.24 3.99 -1.08 -1.26 -4.85 116.67 115.60 3dmd s ASP 88 Ca 0.54 -0.71 0.06 0.00 -0.52 0.00 0.00 52.55 51.92 3dmd s ASP 88 Cb -0.10 -2.55 0.27 0.00 -1.46 0.00 0.00 42.92 39.08 3dmd s ASP 88 CO 0.41 -1.74 1.57 0.07 0.52 0.00 0.00 175.17 176.01 3dmd h LYS 89 N 9.94 0.19 -0.67 4.34 2.10 -1.95 -2.92 116.57 127.60 3dmd h LYS 89 Ca -0.18 -0.13 0.11 0.00 -2.00 0.00 0.00 60.65 58.45 3dmd h LYS 89 Cb 1.04 0.02 -0.08 0.00 -0.90 0.00 0.00 32.23 32.31 3dmd h LYS 89 CO 1.30 0.74 0.25 0.78 -2.00 0.00 0.00 179.45 180.52 3dmd h GLY 90 N 1.54 0.96 1.33 0.07 0.00 -1.94 -0.28 103.07 104.75 3dmd h GLY 90 Ca -0.01 -0.13 -0.15 0.00 0.00 0.00 0.00 47.33 47.05 3dmd h GLY 90 CO 0.09 -0.05 -0.40 0.50 0.00 0.00 0.00 176.54 176.68 3dmd h LYS 91 N 0.42 0.74 -0.54 4.80 1.57 -1.93 -0.01 116.57 121.61 3dmd h LYS 91 Ca 0.35 -0.38 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3dmd h LYS 91 Cb 0.48 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3dmd h LYS 91 CO -0.35 1.00 0.22 0.82 -0.57 0.00 0.00 179.45 180.57 3dmd h ILE 92 N 0.61 1.22 -0.31 1.86 2.04 -1.35 -0.66 117.51 120.92 3dmd h ILE 92 Ca 0.05 -0.68 -0.18 0.00 1.00 0.00 0.00 64.86 65.05 3dmd h ILE 92 Cb 0.94 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3dmd h ILE 92 CO 0.09 0.26 -0.51 0.40 0.00 0.00 0.00 178.15 178.39 3dmd h ILE 93 N 0.73 1.27 -0.11 -0.67 2.04 -0.92 -3.02 117.51 116.84 3dmd h ILE 93 Ca 0.18 -1.69 -0.09 0.00 1.00 0.00 0.00 64.86 64.26 3dmd h ILE 93 Cb 0.20 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3dmd h ILE 93 CO -0.01 0.55 -0.33 -0.08 0.00 0.00 0.00 178.15 178.28 3dmd h GLU 94 N 0.69 0.21 -0.59 2.37 4.81 -0.89 -2.75 114.58 118.43 3dmd h GLU 94 Ca 0.03 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 3dmd h GLU 94 Cb 1.11 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 3dmd h GLU 94 CO 0.12 0.53 0.08 1.49 -0.73 0.00 0.00 179.01 180.49 3dmd h GLU 95 N 0.19 0.96 -0.53 1.92 4.57 -1.02 0.36 114.58 121.02 3dmd h GLU 95 Ca 0.02 -0.25 -0.08 0.00 -1.18 0.00 0.00 59.36 57.88 3dmd h GLU 95 Cb 0.68 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 3dmd h GLU 95 CO 0.05 0.90 0.02 0.00 -1.18 0.00 0.00 179.01 178.80 3dmd h ALA 96 N 1.17 0.72 -0.19 2.92 0.00 -1.37 -0.83 119.26 121.68 3dmd h ALA 96 Ca 0.18 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3dmd h ALA 96 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3dmd h ALA 96 CO 0.01 0.52 0.02 0.28 0.00 0.00 0.00 179.25 180.08 3dmd h VAL 97 N 0.81 1.23 -0.96 0.00 2.07 -1.25 -1.37 116.25 116.78 3dmd h VAL 97 Ca 0.15 -0.76 0.05 0.00 0.82 0.00 0.00 66.70 66.96 3dmd h VAL 97 Cb 0.50 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 3dmd h VAL 97 CO 0.02 0.23 0.62 0.50 0.02 0.00 0.00 177.57 178.97 3dmd h LYS 98 N 0.10 1.14 -0.21 1.57 3.64 -0.86 0.38 116.57 122.33 3dmd h LYS 98 Ca 0.06 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3dmd h LYS 98 Cb 0.33 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3dmd h LYS 98 CO 0.01 0.75 0.04 0.93 -2.27 0.00 0.00 179.45 178.91 3dmd h GLU 99 N 1.17 0.34 -0.37 1.90 5.08 -0.94 -1.07 114.58 120.69 3dmd h GLU 99 Ca 0.40 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.70 3dmd h GLU 99 Cb 0.07 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3dmd h GLU 99 CO -0.14 0.49 0.18 0.00 -1.00 0.00 0.00 179.01 178.53 3dmd h ALA 100 N 0.84 0.46 -0.69 3.43 0.00 -0.71 0.10 119.26 122.69 3dmd h ALA 100 Ca 0.06 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3dmd h ALA 100 Cb 0.31 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3dmd h ALA 100 CO 0.00 -0.19 0.45 0.28 0.00 0.00 0.00 179.25 179.80 3dmd h VAL 101 N 0.37 1.18 -0.74 0.00 2.07 -0.83 -1.33 116.25 116.97 3dmd h VAL 101 Ca 0.16 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 3dmd h VAL 101 Cb 0.07 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 3dmd h VAL 101 CO -0.12 0.17 0.34 -1.28 0.02 0.00 0.00 177.57 176.71 3dmd h SER 102 N 0.93 0.99 -0.26 0.57 0.87 -0.58 -2.47 113.55 113.61 3dmd h SER 102 Ca 0.25 -0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 3dmd h SER 102 Cb -0.10 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.58 3dmd h SER 102 CO -0.05 0.86 -0.03 -0.33 -0.53 0.00 0.00 176.83 176.74 3dmd h GLU 103 N 1.05 0.60 -0.21 2.24 5.08 -0.30 -2.08 114.58 120.96 3dmd h GLU 103 Ca 0.25 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3dmd h GLU 103 Cb 0.14 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3dmd h GLU 103 CO -0.03 0.64 0.14 0.82 -1.00 0.00 0.00 179.01 179.59 3dmd h ILE 104 N 0.56 0.99 -0.00 3.13 1.08 -0.80 -2.07 117.51 120.40 3dmd h ILE 104 Ca 0.11 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.52 3dmd h ILE 104 Cb 0.41 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 3dmd h ILE 104 CO 0.02 0.03 0.00 0.18 -0.69 0.00 0.00 178.15 177.69 3dmd n LEU 105 N -4.50 0.15 -4.68 1.44 4.77 -0.78 -4.33 117.00 109.08 3dmd n LEU 105 Ca 0.01 -0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.52 3dmd n LEU 105 Cb 0.16 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 3dmd n LEU 105 CO 0.35 0.03 0.57 -1.61 -1.33 0.00 0.00 177.39 175.39 3dmd s GLU 106 N -2.00 4.31 0.09 3.23 0.41 -0.78 -4.95 118.70 119.01 3dmd s GLU 106 Ca 0.44 0.98 0.07 0.00 -0.41 0.00 0.00 54.97 56.04 3dmd s GLU 106 Cb 0.20 -3.56 -0.04 0.00 -1.78 0.00 0.00 34.13 28.96 3dmd s GLU 106 CO 0.34 -0.27 -0.13 0.95 -0.49 0.00 0.00 175.26 175.66 3dmd s THR 107 N 1.95 3.20 -1.77 3.63 -4.23 -1.26 -4.86 115.64 112.29 3dmd s THR 107 Ca 0.38 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 3dmd s THR 107 Cb -0.17 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.21 3dmd s THR 107 CO 0.13 0.17 0.13 -1.54 -0.54 0.00 0.00 174.62 172.97 3dmd n SER 108 N 0.94 0.03 -3.47 3.99 3.41 -1.26 -4.28 113.62 112.98 3dmd n SER 108 Ca -0.14 -0.29 0.01 0.00 -0.26 0.00 0.00 58.87 58.19 3dmd n SER 108 Cb 0.52 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 3dmd n SER 108 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3dmd s ARG 109 N -1.77 0.53 0.28 4.33 0.52 -1.26 -5.14 118.95 116.44 3dmd s ARG 109 Ca 0.00 1.21 -0.07 0.00 -0.52 0.00 0.00 55.73 56.35 3dmd s ARG 109 Cb 0.00 0.72 -0.06 0.00 0.52 0.00 0.00 34.95 36.13 3dmd s ARG 109 CO 0.00 -0.30 0.57 1.03 0.02 0.00 0.00 175.30 176.63 3dmd s ARG 110 N 2.84 3.69 -0.17 3.54 0.52 -1.26 -4.23 118.95 123.88 3dmd s ARG 110 Ca 0.02 0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.35 3dmd s ARG 110 Cb -0.12 -2.62 0.04 0.00 0.52 0.00 0.00 34.95 32.76 3dmd s ARG 110 CO -0.19 0.22 -0.09 0.42 0.02 0.00 0.00 175.30 175.68 3dmd s ILE 111 N -2.04 1.35 -0.67 1.52 1.01 -1.26 -5.07 121.20 116.04 3dmd s ILE 111 Ca 0.46 -0.71 -0.19 0.00 0.00 0.00 0.00 60.65 60.21 3dmd s ILE 111 Cb -0.11 -1.43 0.11 0.00 0.01 0.00 0.00 42.46 41.05 3dmd s ILE 111 CO 0.28 0.23 0.80 -0.62 0.00 0.00 0.00 174.94 175.63 3dmd s ASP 112 N 1.54 6.30 0.13 3.58 -1.08 -1.26 -4.94 116.67 120.94 3dmd s ASP 112 Ca 0.01 -1.59 -0.20 0.00 -0.52 0.00 0.00 52.55 50.25 3dmd s ASP 112 Cb -0.15 -2.32 -0.01 0.00 -1.46 0.00 0.00 42.92 38.98 3dmd s ASP 112 CO -0.08 -1.10 1.69 0.25 0.52 0.00 0.00 175.17 176.45 3dmd h LEU 113 N 9.99 -0.27 -0.26 -1.34 5.85 -1.98 0.21 115.31 127.50 3dmd h LEU 113 Ca -0.19 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 3dmd h LEU 113 Cb 1.07 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 3dmd h LEU 113 CO 1.08 -0.10 0.12 0.40 -0.34 0.00 0.00 178.44 179.59 3dmd h ILE 114 N -0.04 1.15 -0.94 4.05 2.04 -1.99 -0.86 117.51 120.92 3dmd h ILE 114 Ca 0.11 -0.45 0.10 0.00 1.00 0.00 0.00 64.86 65.61 3dmd h ILE 114 Cb 0.20 0.98 -0.08 0.00 -0.74 0.00 0.00 36.82 37.19 3dmd h ILE 114 CO -0.24 0.16 0.58 -0.08 0.00 0.00 0.00 178.15 178.57 3dmd h GLU 115 N 0.28 0.94 -0.46 2.37 4.57 -1.87 -0.72 114.58 119.70 3dmd h GLU 115 Ca 0.09 -0.06 -0.13 0.00 -1.18 0.00 0.00 59.36 58.08 3dmd h GLU 115 Cb 0.14 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3dmd h GLU 115 CO -0.01 0.62 -0.22 0.93 -1.18 0.00 0.00 179.01 179.15 3dmd h GLU 116 N 0.97 0.95 -0.21 1.92 4.39 -0.05 -2.83 114.58 119.73 3dmd h GLU 116 Ca 0.45 -0.40 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 3dmd h GLU 116 Cb 0.37 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3dmd h GLU 116 CO -0.24 1.07 -0.33 0.82 -1.16 0.00 0.00 179.01 179.17 3dmd h ILE 117 N 0.82 1.33 -0.81 3.13 2.04 -0.76 -3.04 117.51 120.21 3dmd h ILE 117 Ca 0.11 -1.55 0.02 0.00 1.00 0.00 0.00 64.86 64.44 3dmd h ILE 117 Cb 0.79 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 38.64 3dmd h ILE 117 CO 0.07 0.48 0.52 0.03 0.00 0.00 0.00 178.15 179.25 3dmd h ARG 118 N 0.28 1.01 0.00 2.37 3.08 -1.11 -2.37 114.38 117.63 3dmd h ARG 118 Ca 0.02 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3dmd h ARG 118 Cb 0.92 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3dmd h ARG 118 CO 0.08 0.67 0.00 0.36 -1.07 0.00 0.00 179.97 180.00 3dmd n LYS 119 N -4.56 0.15 -3.29 0.04 2.85 -1.07 -4.87 118.16 107.41 3dmd n LYS 119 Ca 0.09 0.17 -0.35 0.00 -1.05 0.00 0.00 58.31 57.17 3dmd n LYS 119 Cb 0.06 -1.69 -0.06 0.00 -0.65 0.00 0.00 35.03 32.70 3dmd n LYS 119 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3dmd s ALA 120 N -3.08 3.52 0.04 0.58 0.00 -0.89 -5.02 121.76 116.89 3dmd s ALA 120 Ca 0.11 -0.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.70 3dmd s ALA 120 Cb 0.14 -2.60 -0.09 0.00 0.00 0.00 0.00 23.12 20.56 3dmd s ALA 120 CO 0.52 0.42 1.97 -1.91 0.00 0.00 0.00 175.76 176.76 3dmd n GLU 121 N 0.57 2.83 -2.42 0.00 2.13 -1.26 -4.90 120.64 117.58 3dmd n GLU 121 Ca -0.03 1.04 -0.35 0.00 0.66 0.00 0.00 57.16 58.47 3dmd n GLU 121 Cb 0.52 -2.99 -0.02 0.00 0.27 0.00 0.00 31.44 29.22 3dmd n GLU 121 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3dmd s LYS 122 N 4.35 3.78 0.35 5.31 -0.14 -1.26 -4.25 119.74 127.88 3dmd s LYS 122 Ca 0.89 1.54 -0.19 0.00 -1.36 0.00 0.00 55.97 56.85 3dmd s LYS 122 Cb -0.45 -2.25 -0.10 0.00 -1.68 0.00 0.00 37.83 33.35 3dmd s LYS 122 CO 0.42 -0.48 0.83 -1.25 -0.76 0.00 0.00 175.35 174.12 3dmd s PRO 123 N -2.96 4.16 -0.27 -1.68 0.05 -1.26 -4.96 135.00 128.10 3dmd s PRO 123 Ca 0.65 0.92 -0.25 0.00 0.05 0.00 0.00 61.00 62.37 3dmd s PRO 123 Cb -0.22 -2.41 -0.00 0.00 0.05 0.00 0.00 34.50 31.92 3dmd s PRO 123 CO 0.26 0.12 0.84 -0.47 0.05 0.00 0.00 177.00 177.81 3dmd s TYR 124 N -1.98 3.27 -0.26 0.56 5.04 0.14 -4.88 117.35 119.24 3dmd s TYR 124 Ca 0.56 1.06 -0.09 0.00 -2.44 0.00 0.00 57.07 56.16 3dmd s TYR 124 Cb -0.11 -3.15 -0.04 0.00 0.35 0.00 0.00 41.96 39.01 3dmd s TYR 124 CO 0.17 -0.48 0.12 0.08 -1.34 0.00 0.00 175.55 174.10 3dmd s VAL 125 N 2.95 4.80 -0.17 3.14 1.01 -1.26 -1.17 120.40 129.69 3dmd s VAL 125 Ca 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 3dmd s VAL 125 Cb -0.15 -3.26 -0.00 0.00 0.00 0.00 0.00 36.38 32.97 3dmd s VAL 125 CO 0.09 0.31 -0.12 -0.63 0.00 0.00 0.00 175.10 174.75 3dmd s ILE 126 N 1.58 2.89 -0.16 2.22 1.01 0.42 -0.71 121.20 128.46 3dmd s ILE 126 Ca 0.06 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 3dmd s ILE 126 Cb -0.15 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 3dmd s ILE 126 CO 0.07 0.49 0.06 -0.32 0.00 0.00 0.00 174.94 175.24 3dmd s MET 127 N 0.96 3.75 -0.11 2.79 -2.45 -0.26 -0.97 119.30 123.01 3dmd s MET 127 Ca -0.02 -0.33 -0.05 0.00 -1.25 0.00 0.00 55.69 54.05 3dmd s MET 127 Cb -0.15 -3.14 -0.04 0.00 1.25 0.00 0.00 34.83 32.76 3dmd s MET 127 CO -0.01 0.41 0.07 -0.06 1.05 0.00 0.00 175.02 176.47 3dmd s PHE 128 N -0.01 3.36 0.12 4.11 0.08 -1.07 -0.93 117.98 123.64 3dmd s PHE 128 Ca 0.06 0.33 0.06 0.00 0.12 0.00 0.00 56.93 57.50 3dmd s PHE 128 Cb -0.12 -1.88 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 3dmd s PHE 128 CO 0.01 0.56 -0.14 0.14 -0.10 0.00 0.00 175.22 175.69 3dmd s VAL 129 N -0.83 1.30 0.00 -0.44 -7.23 -0.14 -4.34 120.40 108.73 3dmd s VAL 129 Ca 0.13 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 3dmd s VAL 129 Cb -0.12 -1.51 0.00 0.00 0.56 0.00 0.00 36.38 35.31 3dmd s VAL 129 CO 0.03 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 3dmd n GLY 130 N 0.55 3.73 3.87 2.32 0.00 -1.26 -0.71 105.19 113.69 3dmd n GLY 130 Ca -0.16 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 3dmd n GLY 130 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dmd s PHE 131 N -2.00 3.47 0.54 1.61 0.08 -1.26 -4.12 117.98 116.29 3dmd s PHE 131 Ca 0.00 1.15 -0.21 0.00 0.12 0.00 0.00 56.93 57.99 3dmd s PHE 131 Cb 0.00 -2.53 -0.06 0.00 -0.57 0.00 0.00 43.02 39.86 3dmd s PHE 131 CO 0.00 -0.18 1.17 0.09 -0.10 0.00 0.00 175.22 176.21 3dmd n ASN 132 N -1.38 1.84 0.00 1.36 3.02 -0.32 -2.35 115.26 117.43 3dmd n ASN 132 Ca 0.03 0.93 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 3dmd n ASN 132 Cb 0.54 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.23 3dmd n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dmd n GLY 133 N 1.00 0.91 0.07 7.41 0.00 -1.26 -4.91 105.19 108.41 3dmd n GLY 133 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 3dmd n GLY 133 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dmd n SER 134 N 0.00 0.55 0.00 1.61 3.41 -0.99 -4.72 113.62 113.48 3dmd n SER 134 Ca 0.00 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 3dmd n SER 134 Cb 0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 3dmd n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dmd n GLY 135 N 1.23 0.58 0.29 5.00 0.00 -1.26 -3.87 105.19 107.16 3dmd n GLY 135 Ca 0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 46.02 45.56 3dmd n GLY 135 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dmd h LYS 136 N 0.72 -0.10 -0.19 1.61 3.64 -1.91 -1.74 116.57 118.60 3dmd h LYS 136 Ca 0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3dmd h LYS 136 Cb 0.00 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3dmd h LYS 136 CO 0.00 -0.07 0.06 1.15 -2.27 0.00 0.00 179.45 178.33 3dmd h THR 137 N -0.10 1.18 -0.65 1.00 2.02 -1.95 -0.84 112.91 113.57 3dmd h THR 137 Ca 0.26 -0.57 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 3dmd h THR 137 Cb 0.51 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 3dmd h THR 137 CO -0.64 0.18 0.17 0.74 0.37 0.00 0.00 175.52 176.35 3dmd h THR 138 N 0.14 1.25 -0.81 3.16 2.02 -1.96 -2.69 112.91 114.03 3dmd h THR 138 Ca 0.06 -0.91 0.05 0.00 0.77 0.00 0.00 66.41 66.38 3dmd h THR 138 Cb 0.22 0.61 -0.06 0.00 -1.74 0.00 0.00 68.15 67.18 3dmd h THR 138 CO -0.00 0.35 0.50 0.74 0.37 0.00 0.00 175.52 177.47 3dmd h THR 139 N 0.96 1.05 -0.36 3.16 2.02 -0.92 -0.44 112.91 118.38 3dmd h THR 139 Ca 0.21 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 3dmd h THR 139 Cb 0.34 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3dmd h THR 139 CO -0.00 0.17 0.10 0.40 0.37 0.00 0.00 175.52 176.55 3dmd h ILE 140 N 0.92 1.22 -0.26 3.11 2.04 -0.84 0.25 117.51 123.96 3dmd h ILE 140 Ca 0.35 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.53 3dmd h ILE 140 Cb 0.14 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 3dmd h ILE 140 CO -0.16 0.25 -0.06 0.00 0.00 0.00 0.00 178.15 178.18 3dmd h ALA 141 N 0.94 0.17 -0.85 1.87 0.00 -1.24 0.40 119.26 120.56 3dmd h ALA 141 Ca 0.11 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3dmd h ALA 141 Cb 0.28 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3dmd h ALA 141 CO -0.00 -0.47 0.42 0.87 0.00 0.00 0.00 179.25 180.07 3dmd h LYS 142 N 0.00 1.21 -0.44 0.00 1.57 -0.56 -0.01 116.57 118.34 3dmd h LYS 142 Ca 0.12 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 3dmd h LYS 142 Cb 0.19 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3dmd h LYS 142 CO -0.26 0.92 -0.22 1.25 -0.57 0.00 0.00 179.45 180.57 3dmd h LEU 143 N 1.20 0.90 -0.33 2.94 5.85 -0.23 -0.91 115.31 124.73 3dmd h LEU 143 Ca 0.29 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.73 3dmd h LEU 143 Cb 0.10 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3dmd h LEU 143 CO -0.04 1.08 0.07 0.00 -0.34 0.00 0.00 178.44 179.21 3dmd h ALA 144 N 0.98 0.35 -0.15 1.25 0.00 -0.29 0.28 119.26 121.70 3dmd h ALA 144 Ca 0.10 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3dmd h ALA 144 Cb 0.76 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3dmd h ALA 144 CO 0.06 -0.34 -0.11 -0.97 0.00 0.00 0.00 179.25 177.90 3dmd h ASN 145 N 0.19 -0.35 -0.30 0.00 -1.24 -0.70 0.12 115.58 113.30 3dmd h ASN 145 Ca 0.16 0.07 0.03 0.00 0.71 0.00 0.00 56.30 57.27 3dmd h ASN 145 Cb 0.17 0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.37 3dmd h ASN 145 CO -0.20 -0.15 0.11 -0.25 -1.29 0.00 0.00 177.43 175.65 3dmd h TRP 146 N -0.12 0.20 -0.58 0.67 7.01 -0.69 0.11 115.95 122.55 3dmd h TRP 146 Ca 0.09 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.14 3dmd h TRP 146 Cb 0.25 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.22 3dmd h TRP 146 CO -0.24 0.09 0.34 -0.07 -2.79 0.00 0.00 178.44 175.77 3dmd h LEU 147 N 0.25 0.52 -0.34 0.65 3.38 -0.17 -2.22 115.31 117.38 3dmd h LEU 147 Ca 0.13 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3dmd h LEU 147 Cb 0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3dmd h LEU 147 CO -0.13 0.36 0.05 0.50 0.09 0.00 0.00 178.44 179.31 3dmd h LYS 148 N 0.65 0.56 0.00 1.13 3.64 -0.12 -1.65 116.57 120.78 3dmd h LYS 148 Ca 0.25 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3dmd h LYS 148 Cb 0.08 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3dmd h LYS 148 CO -0.13 0.65 0.00 -0.91 -2.27 0.00 0.00 179.45 176.79 3dmd h ASN 149 N 0.39 0.00 -0.58 4.20 2.35 -0.55 -1.07 115.58 120.32 3dmd h ASN 149 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3dmd h ASN 149 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3dmd h ASN 149 CO 0.01 0.00 0.00 1.41 -1.65 0.00 0.00 177.43 177.20 3dmd n HIS 150 N -2.33 0.93 0.00 1.19 8.25 -0.67 -4.95 115.22 117.63 3dmd n HIS 150 Ca -0.01 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 3dmd n HIS 150 Cb 0.05 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.08 3dmd n HIS 150 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dmd n GLY 151 N 1.11 0.91 3.67 -1.41 0.00 -0.40 -5.07 105.19 104.00 3dmd n GLY 151 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 3dmd n GLY 151 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dmd s PHE 152 N -2.00 3.12 0.31 1.61 0.08 -0.90 -5.02 117.98 115.18 3dmd s PHE 152 Ca 0.00 0.17 -0.16 0.00 0.12 0.00 0.00 56.93 57.06 3dmd s PHE 152 Cb 0.00 -1.77 -0.09 0.00 -0.57 0.00 0.00 43.02 40.59 3dmd s PHE 152 CO 0.00 0.45 0.74 -1.54 -0.10 0.00 0.00 175.22 174.77 3dmd s SER 153 N -0.89 6.83 -0.05 1.36 1.04 -1.26 -3.66 113.70 117.07 3dmd s SER 153 Ca 0.13 1.32 -0.03 0.00 0.48 0.00 0.00 55.95 57.84 3dmd s SER 153 Cb -0.11 -2.39 0.02 0.00 0.10 0.00 0.00 66.02 63.65 3dmd s SER 153 CO 0.02 -0.16 0.13 -0.69 0.98 0.00 0.00 173.24 173.52 3dmd s VAL 154 N -1.90 -0.02 0.08 5.02 1.01 -1.26 -1.62 120.40 121.71 3dmd s VAL 154 Ca 0.52 0.08 0.09 0.00 0.00 0.00 0.00 61.98 62.67 3dmd s VAL 154 Cb -0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 3dmd s VAL 154 CO 0.18 0.03 -0.23 0.54 0.00 0.00 0.00 175.10 175.62 3dmd s VAL 155 N 0.54 1.91 -0.14 2.92 0.11 -0.46 -3.96 120.40 121.32 3dmd s VAL 155 Ca -0.04 -1.46 -0.02 0.00 -2.93 0.00 0.00 61.98 57.53 3dmd s VAL 155 Cb -0.05 -1.68 -0.02 0.00 -1.53 0.00 0.00 36.38 33.09 3dmd s VAL 155 CO -0.02 0.14 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.17 3dmd s ILE 156 N -0.96 3.51 -0.21 7.04 1.01 -0.10 -1.46 121.20 130.03 3dmd s ILE 156 Ca 0.10 -0.50 -0.18 0.00 0.00 0.00 0.00 60.65 60.07 3dmd s ILE 156 Cb -0.10 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 3dmd s ILE 156 CO 0.03 0.51 0.48 0.00 0.00 0.00 0.00 174.94 175.97 3dmd s ALA 157 N 0.27 3.55 -1.27 9.38 0.00 0.31 -0.48 121.76 133.54 3dmd s ALA 157 Ca -0.06 -0.47 -0.15 0.00 0.00 0.00 0.00 51.96 51.28 3dmd s ALA 157 Cb -0.15 -2.77 0.12 0.00 0.00 0.00 0.00 23.12 20.33 3dmd s ALA 157 CO 0.04 -0.44 1.64 0.00 0.00 0.00 0.00 175.76 177.00 3dmd n ALA 158 N 4.79 3.96 0.64 0.00 0.00 -0.33 -1.04 120.51 128.54 3dmd n ALA 158 Ca -0.06 -4.07 0.09 0.00 0.00 0.00 0.00 53.44 49.40 3dmd n ALA 158 Cb 0.51 -3.30 0.26 0.00 0.00 0.00 0.00 19.45 16.92 3dmd n ALA 158 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3dmd n SER 159 N 6.61 2.53 -3.89 0.00 7.64 0.03 -4.35 113.62 122.19 3dmd n SER 159 Ca 0.43 -1.91 -0.43 0.00 1.01 0.00 0.00 58.87 57.97 3dmd n SER 159 Cb 0.43 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 3dmd n SER 159 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3dmd n ASP 160 N 0.88 5.01 0.16 6.43 2.03 -0.99 -4.07 116.55 125.99 3dmd n ASP 160 Ca 0.17 -3.08 0.13 0.00 0.52 0.00 0.00 54.79 52.53 3dmd n ASP 160 Cb 0.43 -1.50 0.48 0.00 -0.72 0.00 0.00 41.12 39.81 3dmd n ASP 160 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3dmd h THR 161 N 3.82 0.00 -0.09 5.18 1.35 -1.85 -3.06 112.91 118.26 3dmd h THR 161 Ca 0.40 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 3dmd h THR 161 Cb 0.64 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3dmd h THR 161 CO 1.62 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 177.38 3dmd n PHE 162 N -2.48 0.09 -3.70 4.73 3.72 -1.26 -0.85 117.46 117.71 3dmd n PHE 162 Ca 0.03 -0.05 -0.36 0.00 -0.05 0.00 0.00 57.45 57.02 3dmd n PHE 162 Cb 0.32 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.77 3dmd n PHE 162 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3dmd s ARG 163 N -1.75 2.82 0.35 -1.08 0.52 -1.16 -4.91 118.95 113.74 3dmd s ARG 163 Ca 0.28 -2.83 0.05 0.00 -0.52 0.00 0.00 55.73 52.71 3dmd s ARG 163 Cb 0.19 -3.80 0.66 0.00 0.52 0.00 0.00 34.95 32.52 3dmd s ARG 163 CO 0.28 -1.21 1.91 0.00 0.02 0.00 0.00 175.30 176.30 3dmd h ALA 164 N 6.60 1.44 0.04 2.13 0.00 -1.85 -1.19 119.26 126.43 3dmd h ALA 164 Ca 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3dmd h ALA 164 Cb 0.90 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3dmd h ALA 164 CO 0.76 0.40 -0.02 0.78 0.00 0.00 0.00 179.25 181.17 3dmd h GLY 165 N 0.78 -0.06 1.22 0.00 0.00 -1.97 -1.35 103.07 101.68 3dmd h GLY 165 Ca 0.11 0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 3dmd h GLY 165 CO 0.00 -0.02 0.21 0.00 0.00 0.00 0.00 176.54 176.74 3dmd h ALA 166 N 0.90 1.15 -0.37 3.60 0.00 -1.78 -1.42 119.26 121.34 3dmd h ALA 166 Ca -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3dmd h ALA 166 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3dmd h ALA 166 CO 0.01 0.60 0.10 0.82 0.00 0.00 0.00 179.25 180.77 3dmd h ILE 167 N 0.96 1.22 -0.42 0.00 2.04 -1.14 0.11 117.51 120.28 3dmd h ILE 167 Ca 0.22 -0.74 0.04 0.00 1.00 0.00 0.00 64.86 65.37 3dmd h ILE 167 Cb 0.26 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3dmd h ILE 167 CO -0.01 0.26 0.19 -0.33 0.00 0.00 0.00 178.15 178.26 3dmd h GLU 168 N 0.44 0.38 0.09 2.37 5.08 -0.83 -0.30 114.58 121.80 3dmd h GLU 168 Ca 0.12 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3dmd h GLU 168 Cb 0.29 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3dmd h GLU 168 CO -0.00 0.25 -0.23 0.37 -1.00 0.00 0.00 179.01 178.41 3dmd h GLN 169 N 0.39 -0.39 -0.78 2.33 4.15 -1.08 -1.67 115.11 118.07 3dmd h GLN 169 Ca 0.19 0.03 0.18 0.00 0.77 0.00 0.00 58.65 59.81 3dmd h GLN 169 Cb 0.12 0.09 -0.12 0.00 0.21 0.00 0.00 27.48 27.78 3dmd h GLN 169 CO -0.15 -0.26 0.19 1.25 -1.93 0.00 0.00 178.83 177.93 3dmd h LEU 170 N -0.40 -0.01 -0.59 -2.39 5.85 -0.39 -1.59 115.31 115.79 3dmd h LEU 170 Ca 0.04 0.16 -0.14 0.00 0.84 0.00 0.00 57.88 58.77 3dmd h LEU 170 Cb 0.44 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 3dmd h LEU 170 CO -0.15 -0.07 -0.43 -0.33 -0.34 0.00 0.00 178.44 177.12 3dmd h GLU 171 N 0.25 0.63 -0.06 1.25 5.08 -0.67 -1.39 114.58 119.67 3dmd h GLU 171 Ca 0.45 -0.34 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3dmd h GLU 171 Cb 0.81 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3dmd h GLU 171 CO -0.56 0.94 -0.01 0.93 -1.00 0.00 0.00 179.01 179.32 3dmd h GLU 172 N 0.51 0.01 -0.52 2.33 5.08 -0.37 0.13 114.58 121.75 3dmd h GLU 172 Ca 0.04 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3dmd h GLU 172 Cb 0.96 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 3dmd h GLU 172 CO 0.09 0.01 0.23 0.45 -1.00 0.00 0.00 179.01 178.78 3dmd h HIS 173 N 0.01 0.78 -0.15 4.33 3.86 -1.32 -2.03 115.15 120.63 3dmd h HIS 173 Ca 0.03 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 3dmd h HIS 173 Cb 0.04 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 3dmd h HIS 173 CO -0.11 0.63 -0.25 0.00 0.86 0.00 0.00 177.93 179.06 3dmd h ALA 174 N 1.07 1.30 0.10 2.45 0.00 -1.05 -2.13 119.26 121.00 3dmd h ALA 174 Ca 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3dmd h ALA 174 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3dmd h ALA 174 CO -0.02 0.47 -0.08 -0.22 0.00 0.00 0.00 179.25 179.41 3dmd h LYS 175 N 0.25 -0.18 0.00 0.00 1.63 -0.44 -0.61 116.57 117.22 3dmd h LYS 175 Ca 0.04 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3dmd h LYS 175 Cb 0.57 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.25 3dmd h LYS 175 CO 0.04 -0.12 -0.01 -0.09 -3.45 0.00 0.00 179.45 175.83 3dmd h ARG 176 N -0.18 0.00 -0.08 1.90 2.43 -0.74 -2.72 114.38 114.99 3dmd h ARG 176 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3dmd h ARG 176 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3dmd h ARG 176 CO -0.01 0.01 0.00 0.44 -1.51 0.00 0.00 179.97 178.90 3dmd n ILE 177 N -3.87 0.28 -2.67 1.20 -5.35 -0.94 -5.01 119.36 103.01 3dmd n ILE 177 Ca -0.03 -0.64 -0.08 0.00 -0.27 0.00 0.00 62.75 61.74 3dmd n ILE 177 Cb 0.09 0.98 0.02 0.00 -1.74 0.00 0.00 39.64 38.99 3dmd n ILE 177 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dmd n GLY 178 N 0.40 0.37 3.31 3.28 0.00 -0.35 -4.99 105.19 107.21 3dmd n GLY 178 Ca 0.06 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 3dmd n GLY 178 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dmd s VAL 179 N -2.91 1.95 0.33 1.61 -7.23 -0.50 -4.99 120.40 108.66 3dmd s VAL 179 Ca 0.14 -1.31 -0.26 0.00 -1.81 0.00 0.00 61.98 58.74 3dmd s VAL 179 Cb -0.06 -1.68 -0.10 0.00 0.56 0.00 0.00 36.38 35.11 3dmd s VAL 179 CO 0.17 0.31 0.97 -0.75 -0.31 0.00 0.00 175.10 175.49 3dmd s LYS 180 N -1.21 4.54 -0.18 4.82 2.20 -1.25 -4.39 119.74 124.28 3dmd s LYS 180 Ca 0.10 1.39 -0.01 0.00 -0.36 0.00 0.00 55.97 57.08 3dmd s LYS 180 Cb -0.09 -2.81 -0.01 0.00 -1.51 0.00 0.00 37.83 33.41 3dmd s LYS 180 CO 0.02 0.23 -0.11 0.08 -0.36 0.00 0.00 175.35 175.21 3dmd s VAL 181 N -1.58 3.00 -0.16 4.02 1.01 -1.26 -0.92 120.40 124.50 3dmd s VAL 181 Ca 0.51 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 3dmd s VAL 181 Cb -0.20 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 3dmd s VAL 181 CO 0.26 0.48 0.38 -0.63 0.00 0.00 0.00 175.10 175.59 3dmd s ILE 182 N 0.99 5.24 0.07 2.22 -1.09 0.37 -4.97 121.20 124.02 3dmd s ILE 182 Ca -0.01 0.71 -0.10 0.00 -2.23 0.00 0.00 60.65 59.02 3dmd s ILE 182 Cb -0.15 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 3dmd s ILE 182 CO -0.01 0.32 0.21 -1.59 -1.23 0.00 0.00 174.94 172.64 3dmd s LYS 183 N 0.82 0.79 0.00 2.79 -2.85 -1.26 -1.18 119.74 118.85 3dmd s LYS 183 Ca 0.20 -0.78 0.00 0.00 -1.00 0.00 0.00 55.97 54.39 3dmd s LYS 183 Cb -0.14 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 3dmd s LYS 183 CO 0.07 -0.24 0.00 0.72 0.10 0.00 0.00 175.35 176.00 3dmd n HIS 184 N 0.29 0.00 -1.41 1.78 8.25 -1.26 -5.07 115.22 117.80 3dmd n HIS 184 Ca -0.17 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 56.99 3dmd n HIS 184 Cb 0.61 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.82 3dmd n HIS 184 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3dmd s SER 185 N 0.56 4.34 0.33 0.41 0.01 -1.26 -4.94 113.70 113.15 3dmd s SER 185 Ca 0.00 1.49 -0.28 0.00 1.31 0.00 0.00 55.95 58.47 3dmd s SER 185 Cb 0.00 -2.22 -0.12 0.00 0.21 0.00 0.00 66.02 63.88 3dmd s SER 185 CO 0.00 -2.09 1.29 0.00 0.41 0.00 0.00 173.24 172.85 3dmd n TYR 186 N -3.53 2.25 -1.10 2.43 9.36 -1.26 -1.92 117.16 123.39 3dmd n TYR 186 Ca 0.07 0.55 -0.03 0.00 3.32 0.00 0.00 57.90 61.81 3dmd n TYR 186 Cb 0.55 -2.41 -0.01 0.00 -0.63 0.00 0.00 39.34 36.83 3dmd n TYR 186 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3dmd n GLY 187 N 0.85 0.56 3.64 2.98 0.00 -0.03 -4.98 105.19 108.21 3dmd n GLY 187 Ca 0.05 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 3dmd n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmd s ALA 188 N -1.81 1.06 -0.12 4.61 0.00 -0.81 -4.92 121.76 119.77 3dmd s ALA 188 Ca 0.00 0.37 -0.29 0.00 0.00 0.00 0.00 51.96 52.03 3dmd s ALA 188 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 3dmd s ALA 188 CO 0.00 -2.94 1.67 0.34 0.00 0.00 0.00 175.76 174.83 3dmd s ASP 189 N -2.72 6.51 0.22 0.00 2.15 -1.26 -4.72 116.67 116.84 3dmd s ASP 189 Ca 0.67 2.01 -0.09 0.00 0.43 0.00 0.00 52.55 55.57 3dmd s ASP 189 Cb -0.23 -2.53 0.24 0.00 -0.30 0.00 0.00 42.92 40.10 3dmd s ASP 189 CO 0.59 -1.09 1.84 -0.65 -0.17 0.00 0.00 175.17 175.70 3dmd h PRO 190 N 10.22 0.84 -0.58 4.34 0.11 -1.92 -2.23 132.00 142.78 3dmd h PRO 190 Ca -0.37 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.62 3dmd h PRO 190 Cb 1.17 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3dmd h PRO 190 CO 0.97 0.56 0.10 0.00 -0.21 0.00 0.00 178.00 179.41 3dmd h ALA 191 N 1.34 0.77 -0.79 -0.75 0.00 -1.91 -2.10 119.26 115.82 3dmd h ALA 191 Ca 0.31 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3dmd h ALA 191 Cb 0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3dmd h ALA 191 CO -0.14 0.52 0.51 0.00 0.00 0.00 0.00 179.25 180.15 3dmd h ALA 192 N 1.01 1.02 -0.42 0.00 0.00 -1.87 0.13 119.26 119.12 3dmd h ALA 192 Ca 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3dmd h ALA 192 Cb 0.42 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3dmd h ALA 192 CO 0.01 0.37 0.26 0.28 0.00 0.00 0.00 179.25 180.17 3dmd h VAL 193 N 1.03 1.13 -0.31 0.00 2.07 -1.21 0.20 116.25 119.16 3dmd h VAL 193 Ca 0.30 -0.29 -0.14 0.00 0.82 0.00 0.00 66.70 67.39 3dmd h VAL 193 Cb -0.06 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3dmd h VAL 193 CO -0.09 0.13 -0.37 0.00 0.02 0.00 0.00 177.57 177.27 3dmd h ALA 194 N 1.12 0.46 -0.37 1.67 0.00 -0.84 -1.55 119.26 119.76 3dmd h ALA 194 Ca 0.15 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3dmd h ALA 194 Cb -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3dmd h ALA 194 CO -0.03 0.54 0.07 -0.92 0.00 0.00 0.00 179.25 178.91 3dmd h TYR 195 N 0.56 0.55 -0.55 0.00 3.20 -0.65 -1.03 116.97 119.05 3dmd h TYR 195 Ca 0.04 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 3dmd h TYR 195 Cb 0.96 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 3dmd h TYR 195 CO 0.07 0.50 0.16 0.22 -1.64 0.00 0.00 178.16 177.48 3dmd h ASP 196 N 0.53 0.80 -0.02 -2.11 3.58 -0.55 -1.70 116.42 116.95 3dmd h ASP 196 Ca 0.12 -0.21 -0.07 0.00 0.42 0.00 0.00 57.03 57.29 3dmd h ASP 196 Cb 0.24 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 3dmd h ASP 196 CO 0.00 0.80 -0.17 0.00 -2.88 0.00 0.00 179.24 176.99 3dmd h ALA 197 N 1.03 1.31 -0.31 -0.78 0.00 -0.39 -0.40 119.26 119.73 3dmd h ALA 197 Ca 0.18 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3dmd h ALA 197 Cb 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3dmd h ALA 197 CO -0.00 0.46 0.02 0.82 0.00 0.00 0.00 179.25 180.55 3dmd h ILE 198 N 0.34 1.25 -0.32 0.00 2.04 -1.00 -0.24 117.51 119.57 3dmd h ILE 198 Ca 0.06 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 3dmd h ILE 198 Cb 0.50 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 3dmd h ILE 198 CO 0.03 0.29 0.20 1.56 0.00 0.00 0.00 178.15 180.23 3dmd h GLN 199 N 0.35 0.44 -0.65 2.37 1.08 -0.84 -0.24 115.11 117.60 3dmd h GLN 199 Ca 0.09 -0.04 0.11 0.00 -1.45 0.00 0.00 58.65 57.36 3dmd h GLN 199 Cb 0.40 -0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 27.65 3dmd h GLN 199 CO 0.01 0.32 0.24 1.25 -0.95 0.00 0.00 178.83 179.71 3dmd h HIS 200 N 0.42 0.42 -0.48 2.96 2.76 -1.03 -1.84 115.15 118.36 3dmd h HIS 200 Ca 0.12 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 3dmd h HIS 200 Cb -0.01 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 3dmd h HIS 200 CO -0.04 0.08 0.15 0.00 -1.30 0.00 0.00 177.93 176.82 3dmd h ALA 201 N 1.46 0.63 -0.21 5.26 0.00 -0.20 -1.95 119.26 124.26 3dmd h ALA 201 Ca 0.34 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3dmd h ALA 201 Cb 0.45 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3dmd h ALA 201 CO -0.34 0.29 0.06 0.87 0.00 0.00 0.00 179.25 180.13 3dmd h LYS 202 N 0.65 0.14 -0.48 0.00 1.57 -0.69 0.34 116.57 118.10 3dmd h LYS 202 Ca 0.16 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 3dmd h LYS 202 Cb 0.27 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3dmd h LYS 202 CO -0.00 0.09 -0.10 0.00 -0.57 0.00 0.00 179.45 178.87 3dmd h ALA 203 N 1.14 0.91 -0.54 3.86 0.00 -1.19 -2.94 119.26 120.50 3dmd h ALA 203 Ca 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3dmd h ALA 203 Cb 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3dmd h ALA 203 CO -0.11 0.63 0.00 0.54 0.00 0.00 0.00 179.25 180.31 3dmd n ARG 204 N -4.16 2.46 -3.68 0.00 5.12 -0.75 -4.97 116.66 110.69 3dmd n ARG 204 Ca 0.02 -2.25 -0.23 0.00 -1.93 0.00 0.00 57.85 53.45 3dmd n ARG 204 Cb 0.38 -1.50 0.05 0.00 -1.16 0.00 0.00 32.46 30.22 3dmd n ARG 204 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3dmd n GLY 205 N 1.51 -0.39 3.75 -0.13 0.00 -0.04 -4.99 105.19 104.90 3dmd n GLY 205 Ca 0.21 0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 3dmd n GLY 205 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dmd s ILE 206 N -3.47 4.02 0.07 -0.61 -1.09 -0.32 -4.99 121.20 114.81 3dmd s ILE 206 Ca 0.24 2.02 -0.17 0.00 -2.23 0.00 0.00 60.65 60.51 3dmd s ILE 206 Cb -0.12 -4.29 -0.11 0.00 -1.58 0.00 0.00 42.46 36.37 3dmd s ILE 206 CO 0.79 0.48 1.41 0.44 -1.23 0.00 0.00 174.94 176.82 3dmd h ASP 207 N 4.16 0.56 -3.67 3.58 3.32 -1.85 -3.37 116.42 119.15 3dmd h ASP 207 Ca -0.45 -0.45 -0.46 0.00 0.02 0.00 0.00 57.03 55.69 3dmd h ASP 207 Cb 1.20 -0.16 -0.32 0.00 0.22 0.00 0.00 39.33 40.27 3dmd h ASP 207 CO 0.68 0.90 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.61 3dmd s VAL 208 N -4.43 0.90 -0.19 -1.35 1.01 -0.64 0.27 120.40 115.97 3dmd s VAL 208 Ca -0.13 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 3dmd s VAL 208 Cb 0.07 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 3dmd s VAL 208 CO 0.79 0.29 -0.03 -0.69 0.00 0.00 0.00 175.10 175.46 3dmd s VAL 209 N 0.41 3.73 -0.15 2.92 1.01 -0.32 -1.36 120.40 126.65 3dmd s VAL 209 Ca -0.08 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 3dmd s VAL 209 Cb -0.12 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 3dmd s VAL 209 CO 0.01 0.45 -0.05 -0.76 0.00 0.00 0.00 175.10 174.75 3dmd s LEU 210 N 0.95 3.18 -0.33 3.92 1.43 -0.54 -0.44 118.68 126.87 3dmd s LEU 210 Ca 0.00 -0.15 -0.07 0.00 -1.03 0.00 0.00 54.13 52.88 3dmd s LEU 210 Cb -0.14 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.34 3dmd s LEU 210 CO 0.01 0.18 0.11 -0.63 0.23 0.00 0.00 176.35 176.25 3dmd s ILE 211 N 0.31 3.97 -0.09 -0.59 1.01 -0.15 -0.53 121.20 125.14 3dmd s ILE 211 Ca -0.04 -0.91 -0.28 0.00 0.00 0.00 0.00 60.65 59.41 3dmd s ILE 211 Cb -0.14 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 3dmd s ILE 211 CO 0.03 -0.08 0.95 -0.62 0.00 0.00 0.00 174.94 175.22 3dmd s ASP 212 N 1.47 7.21 0.41 3.58 2.15 -0.21 -2.60 116.67 128.68 3dmd s ASP 212 Ca 0.01 1.48 0.07 0.00 0.43 0.00 0.00 52.55 54.53 3dmd s ASP 212 Cb -0.18 -2.53 -0.07 0.00 -0.30 0.00 0.00 42.92 39.84 3dmd s ASP 212 CO 0.03 -0.37 0.09 0.42 -0.17 0.00 0.00 175.17 175.18 3dmd s THR 213 N 1.71 2.18 0.56 1.71 -4.23 -1.26 -0.79 115.64 115.51 3dmd s THR 213 Ca 0.47 -1.85 -0.17 0.00 -1.18 0.00 0.00 61.69 58.95 3dmd s THR 213 Cb -0.19 -2.99 -0.05 0.00 1.34 0.00 0.00 72.50 70.61 3dmd s THR 213 CO 0.19 -0.01 1.05 0.00 -0.54 0.00 0.00 174.62 175.32 3dmd s ALA 214 N -2.65 2.78 -0.14 3.99 0.00 -1.26 -4.48 121.76 120.01 3dmd s ALA 214 Ca 0.38 0.48 0.16 0.00 0.00 0.00 0.00 51.96 52.98 3dmd s ALA 214 Cb 0.07 -3.24 0.30 0.00 0.00 0.00 0.00 23.12 20.24 3dmd s ALA 214 CO 0.20 -0.64 1.16 0.41 0.00 0.00 0.00 175.76 176.89 3dmd n GLY 215 N -0.69 4.59 3.45 0.00 0.00 -1.26 -4.69 105.19 106.59 3dmd n GLY 215 Ca 0.09 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 3dmd n GLY 215 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dmd s ARG 216 N -2.72 1.20 0.24 1.61 1.70 -1.26 -1.17 118.95 118.54 3dmd s ARG 216 Ca 0.31 -0.24 -0.30 0.00 -0.47 0.00 0.00 55.73 55.04 3dmd s ARG 216 Cb 0.28 0.56 -0.09 0.00 -0.57 0.00 0.00 34.95 35.13 3dmd s ARG 216 CO 0.00 -0.48 1.10 -1.12 -1.08 0.00 0.00 175.30 173.72 3dmd s SER 217 N -2.26 7.28 0.00 -2.89 0.01 -1.26 -4.73 113.70 109.84 3dmd s SER 217 Ca -0.03 2.19 0.00 0.00 1.31 0.00 0.00 55.95 59.43 3dmd s SER 217 Cb -0.01 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.61 3dmd s SER 217 CO -0.06 -0.17 0.00 -0.62 0.41 0.00 0.00 173.24 172.81 3dmd n GLU 218 N 1.68 2.90 -1.53 12.44 -0.58 -1.26 -4.97 120.64 129.32 3dmd n GLU 218 Ca 0.00 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.43 3dmd n GLU 218 Cb 0.45 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.39 3dmd n GLU 218 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3dmd s THR 219 N 1.30 3.57 0.00 2.62 2.01 -1.26 -4.14 115.64 119.73 3dmd s THR 219 Ca 0.00 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.57 3dmd s THR 219 Cb 0.00 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.37 3dmd s THR 219 CO 0.00 -0.60 0.00 -0.46 -0.69 0.00 0.00 174.62 172.87 3dmd n ASN 220 N -3.03 0.00 -3.38 3.53 0.23 -1.26 -4.87 115.26 106.48 3dmd n ASN 220 Ca 0.09 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 54.16 3dmd n ASN 220 Cb 0.53 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.19 3dmd n ASN 220 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 3dmd s ARG 221 N 0.00 0.21 0.04 -3.83 3.52 -1.26 -5.15 118.95 112.48 3dmd s ARG 221 Ca 0.00 0.50 -0.35 0.00 -0.13 0.00 0.00 55.73 55.75 3dmd s ARG 221 Cb 0.00 0.27 -0.18 0.00 -1.56 0.00 0.00 34.95 33.48 3dmd s ARG 221 CO 0.00 -0.07 0.88 -1.71 -0.81 0.00 0.00 175.30 173.60 3dmd n ASN 222 N 4.62 -0.28 -0.34 -2.12 5.15 -1.26 -4.28 115.26 116.75 3dmd n ASN 222 Ca -0.10 1.08 0.15 0.00 -0.60 0.00 0.00 54.58 55.12 3dmd n ASN 222 Cb 0.54 -0.87 0.35 0.00 -0.53 0.00 0.00 39.78 39.27 3dmd n ASN 222 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3dmd h LEU 223 N 2.38 0.68 -0.62 1.20 5.85 -1.93 -1.15 115.31 121.72 3dmd h LEU 223 Ca -0.43 0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.35 3dmd h LEU 223 Cb 1.34 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 3dmd h LEU 223 CO 0.59 0.15 0.14 0.24 -0.34 0.00 0.00 178.44 179.23 3dmd h MET 224 N 0.63 1.00 -0.14 1.25 2.86 -1.97 -0.66 114.93 117.89 3dmd h MET 224 Ca 0.61 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 58.01 3dmd h MET 224 Cb 1.09 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 3dmd h MET 224 CO -0.45 0.92 0.09 -0.44 1.06 0.00 0.00 176.91 178.09 3dmd h ASP 225 N 0.92 0.17 -0.86 1.22 3.32 -1.66 -1.48 116.42 118.04 3dmd h ASP 225 Ca 0.19 -0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.30 3dmd h ASP 225 Cb 0.37 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.82 3dmd h ASP 225 CO 0.00 0.15 0.56 -0.33 -1.72 0.00 0.00 179.24 177.91 3dmd h GLU 226 N 0.17 0.85 -0.34 3.56 4.39 -0.94 -1.30 114.58 120.96 3dmd h GLU 226 Ca 0.05 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 3dmd h GLU 226 Cb 0.01 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 3dmd h GLU 226 CO -0.01 0.56 -0.09 0.52 -1.16 0.00 0.00 179.01 178.83 3dmd h MET 227 N 0.87 0.66 -0.74 2.33 2.86 -0.53 -1.42 114.93 118.96 3dmd h MET 227 Ca 0.39 -0.26 0.02 0.00 -2.06 0.00 0.00 59.70 57.79 3dmd h MET 227 Cb 0.37 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 3dmd h MET 227 CO -0.16 0.83 0.49 0.87 1.06 0.00 0.00 176.91 180.01 3dmd h LYS 228 N 0.45 0.94 -0.25 1.72 1.57 -0.62 -0.73 116.57 119.65 3dmd h LYS 228 Ca 0.08 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 3dmd h LYS 228 Cb 0.59 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 3dmd h LYS 228 CO 0.04 0.62 -0.20 -0.22 -0.57 0.00 0.00 179.45 179.12 3dmd h LYS 229 N 0.97 0.57 -0.67 3.15 3.64 -0.98 -0.95 116.57 122.30 3dmd h LYS 229 Ca 0.28 -0.28 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3dmd h LYS 229 Cb -0.05 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3dmd h LYS 229 CO -0.07 0.87 0.44 0.82 -2.27 0.00 0.00 179.45 179.23 3dmd h ILE 230 N 0.28 1.16 -0.46 2.00 2.04 -0.95 -1.85 117.51 119.72 3dmd h ILE 230 Ca 0.05 -0.31 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 3dmd h ILE 230 Cb 0.74 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3dmd h ILE 230 CO 0.05 0.16 -0.04 0.00 0.00 0.00 0.00 178.15 178.33 3dmd h ALA 231 N 1.25 1.07 -0.53 1.87 0.00 -0.99 -0.38 119.26 121.54 3dmd h ALA 231 Ca 0.25 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3dmd h ALA 231 Cb -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3dmd h ALA 231 CO -0.06 0.58 0.18 0.00 0.00 0.00 0.00 179.25 179.95 3dmd h ARG 232 N 0.73 0.82 -0.25 0.00 3.08 -0.97 -0.73 114.38 117.06 3dmd h ARG 232 Ca 0.14 -0.17 -0.16 0.00 0.07 0.00 0.00 59.98 59.86 3dmd h ARG 232 Cb 0.50 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3dmd h ARG 232 CO 0.03 0.74 -0.46 0.28 -1.07 0.00 0.00 179.97 179.49 3dmd h VAL 233 N 0.73 1.30 0.00 2.04 2.07 -1.13 -3.34 116.25 117.92 3dmd h VAL 233 Ca 0.17 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 66.03 3dmd h VAL 233 Cb 0.26 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3dmd h VAL 233 CO -0.01 0.53 -1.43 0.35 0.02 0.00 0.00 177.57 177.04 3dmd n THR 234 N -4.13 0.12 -3.73 2.57 -2.24 -0.17 -4.95 114.28 101.75 3dmd n THR 234 Ca -0.05 -0.35 -0.29 0.00 -2.27 0.00 0.00 64.05 61.09 3dmd n THR 234 Cb 0.58 0.19 0.02 0.00 -2.10 0.00 0.00 70.33 69.02 3dmd n THR 234 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dmd n LYS 235 N -2.09 -1.10 -1.85 -0.78 5.02 -0.28 -4.84 118.16 112.24 3dmd n LYS 235 Ca -0.00 0.59 -0.38 0.00 -2.02 0.00 0.00 58.31 56.49 3dmd n LYS 235 Cb 0.49 -3.41 0.04 0.00 -0.02 0.00 0.00 35.03 32.13 3dmd n LYS 235 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3dmd s PRO 236 N -5.64 3.19 0.26 1.97 0.02 -1.26 -4.92 135.00 128.62 3dmd s PRO 236 Ca 0.28 2.16 0.04 0.00 0.02 0.00 0.00 61.00 63.51 3dmd s PRO 236 Cb -0.12 -2.25 0.34 0.00 0.02 0.00 0.00 34.50 32.49 3dmd s PRO 236 CO 0.88 -1.13 1.63 -0.91 -0.33 0.00 0.00 177.00 177.15 3dmd h ASN 237 N 1.48 0.33 -3.60 2.53 2.35 -1.24 -3.46 115.58 113.97 3dmd h ASN 237 Ca -0.51 -0.15 -0.21 0.00 -0.55 0.00 0.00 56.30 54.88 3dmd h ASN 237 Cb 1.29 -0.09 -0.29 0.00 0.05 0.00 0.00 38.32 39.28 3dmd h ASN 237 CO 0.57 0.75 -0.56 -0.22 -1.65 0.00 0.00 177.43 176.32 3dmd s LEU 238 N -8.20 1.06 -0.23 1.61 2.96 -1.00 -5.03 118.68 109.86 3dmd s LEU 238 Ca -0.05 0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 54.14 3dmd s LEU 238 Cb 0.13 0.46 -0.00 0.00 0.50 0.00 0.00 46.19 47.28 3dmd s LEU 238 CO 0.79 -0.10 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.98 3dmd s VAL 239 N 0.63 3.23 -0.21 1.68 1.01 -1.26 -1.10 120.40 124.38 3dmd s VAL 239 Ca -0.05 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 3dmd s VAL 239 Cb -0.06 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 3dmd s VAL 239 CO -0.03 0.38 0.01 -0.63 0.00 0.00 0.00 175.10 174.83 3dmd s ILE 240 N 1.44 4.01 -0.10 2.22 1.01 -0.11 -1.14 121.20 128.53 3dmd s ILE 240 Ca 0.05 -0.29 -0.23 0.00 0.00 0.00 0.00 60.65 60.17 3dmd s ILE 240 Cb -0.15 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 3dmd s ILE 240 CO -0.04 0.41 0.71 0.12 0.00 0.00 0.00 174.94 176.15 3dmd s PHE 241 N 1.10 3.52 -0.14 3.97 5.36 -0.26 -0.96 117.98 130.57 3dmd s PHE 241 Ca 0.03 1.20 -0.05 0.00 -0.96 0.00 0.00 56.93 57.15 3dmd s PHE 241 Cb -0.14 -2.84 -0.04 0.00 -0.34 0.00 0.00 43.02 39.66 3dmd s PHE 241 CO 0.02 -0.01 0.02 0.08 -1.46 0.00 0.00 175.22 173.87 3dmd s VAL 242 N 1.21 4.47 0.02 3.12 1.01 0.11 -0.63 120.40 129.72 3dmd s VAL 242 Ca 0.36 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.18 3dmd s VAL 242 Cb -0.17 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 3dmd s VAL 242 CO 0.16 0.53 -0.02 -0.83 0.00 0.00 0.00 175.10 174.94 3dmd s GLY 243 N -0.18 0.21 -0.47 4.51 0.00 -0.56 -4.50 107.32 106.33 3dmd s GLY 243 Ca 0.06 -0.53 -0.23 0.00 0.00 0.00 0.00 44.72 44.03 3dmd s GLY 243 CO 0.02 -0.60 0.78 -0.35 0.00 0.00 0.00 173.10 172.95 3dmd s ASP 244 N -1.37 6.37 0.61 1.64 -1.08 -1.25 -0.99 116.67 120.60 3dmd s ASP 244 Ca -0.15 -0.26 0.30 0.00 -0.52 0.00 0.00 52.55 51.92 3dmd s ASP 244 Cb -0.09 -2.38 1.62 0.00 -1.46 0.00 0.00 42.92 40.61 3dmd s ASP 244 CO -0.01 -0.95 2.00 0.00 0.52 0.00 0.00 175.17 176.73 3dmd h ALA 245 N 9.02 1.79 0.00 3.66 0.00 -1.07 0.98 119.26 133.64 3dmd h ALA 245 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3dmd h ALA 245 Cb 1.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3dmd h ALA 245 CO 0.97 -0.44 0.00 -0.07 0.00 0.00 0.00 179.25 179.71 3dmd h LEU 246 N 0.00 0.00 -4.76 0.00 3.38 -1.79 -3.32 115.31 108.82 3dmd h LEU 246 Ca 0.11 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.56 3dmd h LEU 246 Cb 0.76 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.38 3dmd h LEU 246 CO -0.00 0.00 1.03 0.00 0.09 0.00 0.00 178.44 179.56 3dmd n ALA 247 N -1.97 6.62 -0.32 1.53 0.00 0.34 -4.73 120.51 121.98 3dmd n ALA 247 Ca 0.02 -3.14 0.35 0.00 0.00 0.00 0.00 53.44 50.67 3dmd n ALA 247 Cb 0.35 -2.43 0.74 0.00 0.00 0.00 0.00 19.45 18.12 3dmd n ALA 247 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3dmd h GLY 248 N 4.76 0.04 1.52 0.00 0.00 -1.80 0.25 103.07 107.83 3dmd h GLY 248 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3dmd h GLY 248 CO 0.98 -0.01 0.00 1.16 0.00 0.00 0.00 176.54 178.68 3dmd n ASN 249 N -4.20 0.00 0.00 0.19 0.23 -1.26 -4.40 115.26 105.82 3dmd n ASN 249 Ca 0.25 -0.21 0.00 0.00 -0.53 0.00 0.00 54.58 54.09 3dmd n ASN 249 Cb 1.23 -0.26 0.00 0.00 -2.08 0.00 0.00 39.78 38.67 3dmd n ASN 249 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dmd n ALA 250 N -1.26 1.00 -0.14 -2.53 0.00 0.81 -4.90 120.51 113.50 3dmd n ALA 250 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.54 3dmd n ALA 250 Cb 0.22 0.03 0.04 0.00 0.00 0.00 0.00 19.45 19.74 3dmd n ALA 250 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3dmd h ILE 251 N 0.00 0.90 -0.59 0.00 2.10 -1.58 0.25 117.51 118.58 3dmd h ILE 251 Ca 0.00 -0.13 -0.00 0.00 1.08 0.00 0.00 64.86 65.81 3dmd h ILE 251 Cb 0.13 0.50 -0.03 0.00 -1.09 0.00 0.00 36.82 36.33 3dmd h ILE 251 CO 0.00 0.07 0.35 0.58 -1.08 0.00 0.00 178.15 178.07 3dmd h VAL 252 N 0.37 1.18 -0.53 2.19 2.07 -1.87 -1.34 116.25 118.33 3dmd h VAL 252 Ca 0.20 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 67.23 3dmd h VAL 252 Cb 0.16 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3dmd h VAL 252 CO -0.18 0.18 -0.02 -0.08 0.02 0.00 0.00 177.57 177.49 3dmd h GLU 253 N 0.80 0.91 -0.00 1.57 4.57 -1.68 -1.29 114.58 119.47 3dmd h GLU 253 Ca 0.21 -0.28 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 3dmd h GLU 253 Cb -0.01 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 3dmd h GLU 253 CO -0.04 0.92 -0.05 1.96 -1.18 0.00 0.00 179.01 180.62 3dmd h GLN 254 N 0.84 -0.08 -0.60 1.92 4.20 -0.20 -1.39 115.11 119.80 3dmd h GLN 254 Ca 0.15 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.92 3dmd h GLN 254 Cb 0.53 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 3dmd h GLN 254 CO 0.03 -0.05 0.33 0.00 -0.67 0.00 0.00 178.83 178.46 3dmd h ALA 255 N 0.91 0.79 -0.83 3.87 0.00 -1.09 -2.16 119.26 120.75 3dmd h ALA 255 Ca 0.02 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.04 3dmd h ALA 255 Cb 0.11 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3dmd h ALA 255 CO -0.05 0.01 0.47 0.00 0.00 0.00 0.00 179.25 179.68 3dmd h ARG 256 N 0.63 0.76 -0.11 0.00 3.08 -0.85 0.56 114.38 118.46 3dmd h ARG 256 Ca 0.26 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 3dmd h ARG 256 Cb 0.14 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3dmd h ARG 256 CO -0.16 0.50 -0.01 1.96 -1.07 0.00 0.00 179.97 181.19 3dmd h GLN 257 N 0.78 0.19 -0.60 0.04 4.20 -0.66 -2.66 115.11 116.41 3dmd h GLN 257 Ca 0.40 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 59.04 3dmd h GLN 257 Cb 0.38 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 3dmd h GLN 257 CO -0.25 0.47 0.36 0.74 -0.67 0.00 0.00 178.83 179.48 3dmd h PHE 258 N -0.10 0.78 -0.73 2.96 0.04 -1.16 -3.02 116.94 115.71 3dmd h PHE 258 Ca 0.03 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.84 3dmd h PHE 258 Cb 0.39 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.24 3dmd h PHE 258 CO 0.04 0.53 0.48 -0.97 -0.60 0.00 0.00 178.31 177.79 3dmd h ASN 259 N 0.81 0.75 0.47 2.17 -1.24 -0.80 0.20 115.58 117.94 3dmd h ASN 259 Ca 0.21 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.18 3dmd h ASN 259 Cb -0.03 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 3dmd h ASN 259 CO -0.04 0.51 -0.19 -0.08 -1.29 0.00 0.00 177.43 176.34 3dmd h GLU 260 N 0.87 0.00 0.01 6.67 4.81 -1.34 -3.27 114.58 122.33 3dmd h GLU 260 Ca 0.29 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.20 3dmd h GLU 260 Cb 0.09 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 3dmd h GLU 260 CO -0.09 0.19 -1.78 0.00 -0.73 0.00 0.00 179.01 176.60 3dmd n ALA 261 N -2.31 0.95 -3.72 2.92 0.00 -0.02 -4.91 120.51 113.42 3dmd n ALA 261 Ca -0.01 -0.72 -0.21 0.00 0.00 0.00 0.00 53.44 52.50 3dmd n ALA 261 Cb 0.31 -0.33 -0.17 0.00 0.00 0.00 0.00 19.45 19.25 3dmd n ALA 261 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dmd s VAL 262 N -2.43 0.18 0.03 0.00 1.01 0.51 -4.76 120.40 114.93 3dmd s VAL 262 Ca -0.32 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 3dmd s VAL 262 Cb 0.09 -0.35 -0.07 0.00 0.00 0.00 0.00 36.38 36.04 3dmd s VAL 262 CO 0.58 0.21 1.62 -0.75 0.00 0.00 0.00 175.10 176.75 3dmd s LYS 263 N 1.80 4.21 0.06 2.72 2.20 -1.24 -3.87 119.74 125.62 3dmd s LYS 263 Ca 0.01 2.25 -0.30 0.00 -0.36 0.00 0.00 55.97 57.57 3dmd s LYS 263 Cb -0.12 -3.69 -0.05 0.00 -1.51 0.00 0.00 37.83 32.46 3dmd s LYS 263 CO -0.04 -0.74 1.05 0.42 -0.36 0.00 0.00 175.35 175.69 3dmd s ILE 264 N 2.92 4.44 -0.17 5.43 1.01 -1.26 -4.68 121.20 128.89 3dmd s ILE 264 Ca 0.72 1.85 0.06 0.00 0.00 0.00 0.00 60.65 63.28 3dmd s ILE 264 Cb -0.37 -4.18 -0.22 0.00 0.01 0.00 0.00 42.46 37.69 3dmd s ILE 264 CO 0.31 0.20 0.16 0.47 0.00 0.00 0.00 174.94 176.08 3dmd n ASP 265 N 3.45 1.32 -3.89 3.58 8.00 -0.29 -4.87 116.55 123.85 3dmd n ASP 265 Ca 0.05 0.08 -0.09 0.00 0.71 0.00 0.00 54.79 55.54 3dmd n ASP 265 Cb 0.49 -0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 41.42 3dmd n ASP 265 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3dmd s GLY 266 N -5.77 0.26 0.06 0.44 0.00 -0.89 -4.00 107.32 97.42 3dmd s GLY 266 Ca -0.20 -0.69 0.07 0.00 0.00 0.00 0.00 44.72 43.90 3dmd s GLY 266 CO 0.74 -0.73 -0.19 -0.42 0.00 0.00 0.00 173.10 172.50 3dmd s ILE 267 N -3.92 1.54 -0.07 0.90 1.01 -0.17 -1.10 121.20 119.39 3dmd s ILE 267 Ca 0.12 -1.26 0.02 0.00 0.00 0.00 0.00 60.65 59.53 3dmd s ILE 267 Cb 0.03 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 41.15 3dmd s ILE 267 CO -0.04 0.07 -0.12 -0.63 0.00 0.00 0.00 174.94 174.22 3dmd s ILE 268 N -0.93 1.13 -0.19 2.92 1.01 0.20 -0.45 121.20 124.89 3dmd s ILE 268 Ca 0.05 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 3dmd s ILE 268 Cb -0.09 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 3dmd s ILE 268 CO 0.02 0.36 -0.06 -0.76 0.00 0.00 0.00 174.94 174.50 3dmd s LEU 269 N 0.70 2.89 0.27 2.97 1.43 -1.06 -1.50 118.68 124.39 3dmd s LEU 269 Ca -0.14 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.65 3dmd s LEU 269 Cb -0.16 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 3dmd s LEU 269 CO 0.03 0.04 0.41 0.42 0.23 0.00 0.00 176.35 177.49 3dmd s THR 270 N 1.10 5.16 -1.42 5.49 -4.23 -0.16 0.02 115.64 121.60 3dmd s THR 270 Ca 0.01 -0.86 -0.01 0.00 -1.18 0.00 0.00 61.69 59.65 3dmd s THR 270 Cb -0.15 -3.84 0.01 0.00 1.34 0.00 0.00 72.50 69.86 3dmd s THR 270 CO -0.01 -0.38 0.11 0.29 -0.54 0.00 0.00 174.62 174.09 3dmd n LYS 271 N -1.51 -2.42 -0.13 3.99 5.02 -1.14 -0.53 118.16 121.44 3dmd n LYS 271 Ca -0.08 0.79 -0.10 0.00 -2.02 0.00 0.00 58.31 56.91 3dmd n LYS 271 Cb 0.57 -5.46 0.04 0.00 -0.02 0.00 0.00 35.03 30.16 3dmd n LYS 271 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3dmd h LEU 272 N -0.24 0.92 -1.95 -0.35 5.85 -1.41 -2.73 115.31 115.41 3dmd h LEU 272 Ca -0.41 -0.35 0.12 0.00 0.84 0.00 0.00 57.88 58.08 3dmd h LEU 272 Cb 1.30 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 3dmd h LEU 272 CO 0.48 1.11 0.46 -2.24 -0.34 0.00 0.00 178.44 177.92 3dmd h ASP 273 N 0.78 0.00 -0.47 1.25 3.04 -1.86 0.19 116.42 119.35 3dmd h ASP 273 Ca 0.10 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.89 3dmd h ASP 273 Cb 0.79 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.08 3dmd h ASP 273 CO 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.27 3dmd n ALA 274 N -2.32 2.39 -2.54 4.15 0.00 -1.03 -4.80 120.51 116.36 3dmd n ALA 274 Ca 0.07 -1.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.01 3dmd n ALA 274 Cb 0.64 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 3dmd n ALA 274 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dmd s ASP 275 N -1.27 6.34 0.00 0.00 2.15 0.67 -4.85 116.67 119.71 3dmd s ASP 275 Ca 0.39 0.03 0.18 0.00 0.43 0.00 0.00 52.55 53.59 3dmd s ASP 275 Cb 0.22 -2.55 0.60 0.00 -0.30 0.00 0.00 42.92 40.89 3dmd s ASP 275 CO 0.30 -1.59 1.46 0.00 -0.17 0.00 0.00 175.17 175.16 3dmd n ALA 276 N 8.83 2.49 -0.59 3.66 0.00 -1.26 -0.48 120.51 133.16 3dmd n ALA 276 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3dmd n ALA 276 Cb 0.49 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3dmd n ALA 276 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dmd n ARG 277 N 0.46 0.00 0.00 0.00 1.74 -1.26 -1.90 116.66 115.70 3dmd n ARG 277 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 3dmd n ARG 277 Cb 0.34 -0.06 0.00 0.00 -1.02 0.00 0.00 32.46 31.72 3dmd n ARG 277 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dmd n GLY 278 N 3.34 1.28 0.35 -0.13 0.00 -1.26 -2.07 105.19 106.69 3dmd n GLY 278 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3dmd n GLY 278 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dmd h GLY 279 N 0.00 1.30 0.52 -0.02 0.00 -1.80 -1.59 103.07 101.47 3dmd h GLY 279 Ca 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 3dmd h GLY 279 CO 0.00 0.60 -0.01 0.00 0.00 0.00 0.00 176.54 177.13 3dmd h ALA 280 N 1.23 -0.03 -0.94 3.60 0.00 -1.70 -2.40 119.26 119.02 3dmd h ALA 280 Ca 0.30 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 55.12 3dmd h ALA 280 Cb 0.09 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 3dmd h ALA 280 CO -0.04 -0.28 0.60 0.00 0.00 0.00 0.00 179.25 179.53 3dmd h ALA 281 N 0.44 1.79 0.00 0.00 0.00 -1.89 0.16 119.26 119.76 3dmd h ALA 281 Ca -0.00 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3dmd h ALA 281 Cb 0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3dmd h ALA 281 CO 0.01 -0.06 -0.43 1.25 0.00 0.00 0.00 179.25 180.02 3dmd h LEU 282 N 0.73 0.00 0.00 0.00 5.85 -1.26 -3.29 115.31 117.34 3dmd h LEU 282 Ca 0.49 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.97 3dmd h LEU 282 Cb 0.77 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 3dmd h LEU 282 CO -0.25 0.43 -1.48 0.28 -0.34 0.00 0.00 178.44 177.07 3dmd h SER 283 N 0.00 0.00 -0.50 1.25 0.02 -0.20 -3.42 113.55 110.70 3dmd h SER 283 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3dmd h SER 283 Cb 0.77 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 3dmd h SER 283 CO 0.06 0.89 0.15 -0.29 -1.14 0.00 0.00 176.83 176.49 3dmd h ILE 284 N 0.00 1.23 -0.68 3.27 2.10 -1.32 -2.37 117.51 119.74 3dmd h ILE 284 Ca -0.20 -0.78 0.05 0.00 1.08 0.00 0.00 64.86 65.01 3dmd h ILE 284 Cb 1.86 0.79 -0.05 0.00 -1.09 0.00 0.00 36.82 38.33 3dmd h ILE 284 CO 0.08 0.28 0.40 0.28 -1.08 0.00 0.00 178.15 178.11 3dmd h SER 285 N 0.68 0.62 -0.09 2.19 0.02 -1.81 -2.39 113.55 112.77 3dmd h SER 285 Ca 0.16 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3dmd h SER 285 Cb 0.28 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3dmd h SER 285 CO -0.00 0.41 0.03 0.22 -1.14 0.00 0.00 176.83 176.35 3dmd h TYR 286 N 0.76 0.15 -0.52 3.45 3.20 -1.68 0.13 116.97 122.46 3dmd h TYR 286 Ca 0.29 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 3dmd h TYR 286 Cb 0.12 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 3dmd h TYR 286 CO -0.06 0.31 0.25 0.28 -1.64 0.00 0.00 178.16 177.30 3dmd h VAL 287 N -0.04 1.19 -0.00 1.81 2.07 -1.18 -2.82 116.25 117.28 3dmd h VAL 287 Ca 0.03 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3dmd h VAL 287 Cb 0.23 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3dmd h VAL 287 CO -0.00 0.22 -0.50 -0.38 0.02 0.00 0.00 177.57 176.93 3dmd n ILE 288 N -4.59 0.00 -3.77 4.57 2.08 -0.92 -4.98 119.36 111.75 3dmd n ILE 288 Ca 0.02 -0.04 -0.32 0.00 0.56 0.00 0.00 62.75 62.97 3dmd n ILE 288 Cb 0.12 0.41 0.03 0.00 -0.75 0.00 0.00 39.64 39.45 3dmd n ILE 288 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 3dmd n ASP 289 N -1.23 -4.22 -3.71 4.38 2.03 0.40 -4.96 116.55 109.24 3dmd n ASP 289 Ca 0.07 -1.04 -0.12 0.00 0.52 0.00 0.00 54.79 54.22 3dmd n ASP 289 Cb 0.34 -3.15 -0.10 0.00 -0.72 0.00 0.00 41.12 37.49 3dmd n ASP 289 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dmd s ALA 290 N -3.57 -1.11 0.50 -1.67 0.00 -0.88 -4.70 121.76 110.33 3dmd s ALA 290 Ca 0.39 1.43 -0.20 0.00 0.00 0.00 0.00 51.96 53.57 3dmd s ALA 290 Cb -0.15 -0.85 -0.08 0.00 0.00 0.00 0.00 23.12 22.05 3dmd s ALA 290 CO 0.88 -0.24 1.07 -1.25 0.00 0.00 0.00 175.76 176.21 3dmd s PRO 291 N 0.83 3.68 -0.19 0.00 0.04 -1.26 -4.36 135.00 133.74 3dmd s PRO 291 Ca -0.05 1.45 -0.29 0.00 0.04 0.00 0.00 61.00 62.15 3dmd s PRO 291 Cb -0.06 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3dmd s PRO 291 CO -0.06 -0.55 1.05 0.42 0.04 0.00 0.00 177.00 177.89 3dmd s ILE 292 N -1.90 4.68 -0.18 0.56 1.01 -1.26 -1.00 121.20 123.11 3dmd s ILE 292 Ca 0.69 2.00 -0.13 0.00 0.00 0.00 0.00 60.65 63.21 3dmd s ILE 292 Cb -0.19 -4.29 -0.22 0.00 0.01 0.00 0.00 42.46 37.77 3dmd s ILE 292 CO 0.22 -0.13 0.22 0.18 0.00 0.00 0.00 174.94 175.44 3dmd n LEU 293 N 6.00 2.27 -4.12 2.97 4.77 0.41 -4.58 117.00 124.72 3dmd n LEU 293 Ca 0.11 0.29 -0.11 0.00 -0.03 0.00 0.00 56.01 56.28 3dmd n LEU 293 Cb 0.47 -1.02 -0.10 0.00 -2.33 0.00 0.00 43.42 40.43 3dmd n LEU 293 CO 0.52 0.59 -0.39 -0.36 -1.33 0.00 0.00 177.39 176.43 3dmd s PHE 294 N -2.47 0.75 -0.01 -1.77 0.08 -1.24 -0.82 117.98 112.51 3dmd s PHE 294 Ca -0.27 -0.80 0.03 0.00 0.12 0.00 0.00 56.93 56.01 3dmd s PHE 294 Cb 0.07 -0.45 -0.01 0.00 -0.57 0.00 0.00 43.02 42.06 3dmd s PHE 294 CO 0.67 -0.16 -0.10 0.14 -0.10 0.00 0.00 175.22 175.67 3dmd s VAL 295 N -2.94 0.77 -0.29 -0.44 -7.23 0.29 -2.55 120.40 108.01 3dmd s VAL 295 Ca 0.04 -0.41 -0.20 0.00 -1.81 0.00 0.00 61.98 59.59 3dmd s VAL 295 Cb 0.01 -0.65 -0.01 0.00 0.56 0.00 0.00 36.38 36.29 3dmd s VAL 295 CO -0.04 0.22 0.62 -0.83 -0.31 0.00 0.00 175.10 174.76 3dmd s GLY 296 N -0.21 1.79 -0.13 2.32 0.00 0.10 -0.85 107.32 110.35 3dmd s GLY 296 Ca 0.03 -0.58 0.17 0.00 0.00 0.00 0.00 44.72 44.35 3dmd s GLY 296 CO -0.00 1.44 1.15 3.33 0.00 0.00 0.00 173.10 179.02 3dmd n VAL 297 N 5.32 1.78 -0.87 1.40 0.24 0.37 -1.30 118.33 125.27 3dmd n VAL 297 Ca -0.01 -2.20 0.00 0.00 -2.04 0.00 0.00 64.34 60.09 3dmd n VAL 297 Cb 0.49 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 3dmd n VAL 297 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dmd n GLY 298 N -1.31 -1.56 0.80 7.63 0.00 -1.24 -4.76 105.19 104.75 3dmd n GLY 298 Ca 0.15 -1.06 0.10 0.00 0.00 0.00 0.00 46.02 45.21 3dmd n GLY 298 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dmd n GLN 299 N -0.23 1.87 -2.78 1.61 6.02 -1.26 -4.76 117.38 117.84 3dmd n GLN 299 Ca 0.00 -1.68 -0.28 0.00 -0.01 0.00 0.00 57.00 55.04 3dmd n GLN 299 Cb 0.00 -1.40 -0.01 0.00 1.02 0.00 0.00 30.24 29.85 3dmd n GLN 299 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3dmd s GLY 300 N -1.79 1.61 0.38 1.08 0.00 -1.26 -4.97 107.32 102.36 3dmd s GLY 300 Ca 0.24 -0.47 0.07 0.00 0.00 0.00 0.00 44.72 44.56 3dmd s GLY 300 CO 0.28 -0.31 1.97 -0.97 0.00 0.00 0.00 173.10 174.07 3dmd h TYR 301 N 0.58 0.69 -0.17 1.90 0.05 -1.98 0.13 116.97 118.18 3dmd h TYR 301 Ca -0.47 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.33 3dmd h TYR 301 Cb 1.20 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.71 3dmd h TYR 301 CO 0.58 0.36 0.00 -0.25 -1.05 0.00 0.00 178.16 177.81 3dmd n ASP 302 N -4.48 1.02 -0.84 3.88 9.92 -1.26 -3.33 116.55 121.47 3dmd n ASP 302 Ca 0.10 -1.86 0.08 0.00 -0.53 0.00 0.00 54.79 52.58 3dmd n ASP 302 Cb 0.24 -0.11 0.23 0.00 -0.64 0.00 0.00 41.12 40.84 3dmd n ASP 302 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3dmd n ASP 303 N 0.00 2.45 -4.40 -2.24 8.00 0.47 -4.60 116.55 116.23 3dmd n ASP 303 Ca 0.09 -1.96 -0.44 0.00 0.71 0.00 0.00 54.79 53.20 3dmd n ASP 303 Cb 0.18 -0.28 -0.08 0.00 -0.02 0.00 0.00 41.12 40.92 3dmd n ASP 303 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3dmd s LEU 304 N -1.12 5.50 -0.05 0.64 2.96 -1.21 -0.48 118.68 124.92 3dmd s LEU 304 Ca 0.32 -1.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.01 3dmd s LEU 304 Cb 0.17 -2.17 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 3dmd s LEU 304 CO 0.23 -0.60 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.42 3dmd s ARG 305 N 1.64 2.58 0.38 1.98 0.52 -0.03 -4.91 118.95 121.12 3dmd s ARG 305 Ca 0.04 -0.65 -0.25 0.00 -0.52 0.00 0.00 55.73 54.35 3dmd s ARG 305 Cb -0.23 -2.47 -0.12 0.00 0.52 0.00 0.00 34.95 32.66 3dmd s ARG 305 CO 0.07 0.63 1.02 -2.30 0.02 0.00 0.00 175.30 174.75 3dmd n PRO 306 N 2.16 1.40 -2.80 3.54 -0.02 -1.26 -0.55 135.00 137.48 3dmd n PRO 306 Ca -0.17 0.50 -0.41 0.00 -2.02 0.00 0.00 63.50 61.40 3dmd n PRO 306 Cb 0.52 -2.01 -0.05 0.00 -0.02 0.00 0.00 33.50 31.95 3dmd n PRO 306 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3dmd s PHE 307 N -1.21 3.80 -0.11 6.00 5.36 0.00 -4.73 117.98 127.09 3dmd s PHE 307 Ca 0.61 1.72 0.01 0.00 -0.96 0.00 0.00 56.93 58.31 3dmd s PHE 307 Cb -0.59 -2.99 0.02 0.00 -0.34 0.00 0.00 43.02 39.12 3dmd s PHE 307 CO 0.58 0.23 -0.12 -1.21 -1.46 0.00 0.00 175.22 173.24 3dmd s GLU 308 N -0.06 1.95 0.26 10.12 2.02 -1.26 -4.97 118.70 126.76 3dmd s GLU 308 Ca 0.44 -0.45 -0.02 0.00 0.02 0.00 0.00 54.97 54.97 3dmd s GLU 308 Cb -0.23 -1.77 0.44 0.00 0.10 0.00 0.00 34.13 32.68 3dmd s GLU 308 CO 0.28 -0.14 1.85 -0.22 0.02 0.00 0.00 175.26 177.05 3dmd h LYS 309 N 7.69 1.02 -0.21 1.61 3.64 -1.97 -2.51 116.57 125.83 3dmd h LYS 309 Ca -0.32 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 58.87 3dmd h LYS 309 Cb 1.16 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 3dmd h LYS 309 CO 0.47 0.67 -0.40 0.93 -2.27 0.00 0.00 179.45 178.85 3dmd h GLU 310 N 1.05 0.49 -0.65 1.90 4.39 -1.99 -1.15 114.58 118.62 3dmd h GLU 310 Ca 0.44 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.84 3dmd h GLU 310 Cb 0.29 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 3dmd h GLU 310 CO -0.21 0.81 0.18 2.35 -1.16 0.00 0.00 179.01 180.98 3dmd h TRP 311 N 0.41 1.05 -0.19 4.33 7.01 -1.90 0.06 115.95 126.72 3dmd h TRP 311 Ca 0.04 -0.10 -0.03 0.00 2.11 0.00 0.00 58.89 60.90 3dmd h TRP 311 Cb 0.88 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.63 3dmd h TRP 311 CO 0.03 0.85 -0.00 0.35 -2.79 0.00 0.00 178.44 176.88 3dmd h PHE 312 N 0.97 0.37 -0.76 2.65 3.57 -1.11 -1.34 116.94 121.30 3dmd h PHE 312 Ca 0.21 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.65 3dmd h PHE 312 Cb 0.31 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 3dmd h PHE 312 CO 0.02 0.54 0.50 -0.07 -2.23 0.00 0.00 178.31 177.07 3dmd h LEU 313 N 0.09 0.88 -0.72 0.59 3.38 -1.09 -1.70 115.31 116.75 3dmd h LEU 313 Ca 0.05 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.07 3dmd h LEU 313 Cb 0.39 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 3dmd h LEU 313 CO 0.01 0.65 0.38 -0.33 0.09 0.00 0.00 178.44 179.24 3dmd h GLU 314 N 1.04 0.65 -0.51 1.13 5.08 -0.72 0.01 114.58 121.26 3dmd h GLU 314 Ca 0.28 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.52 3dmd h GLU 314 Cb -0.11 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 3dmd h GLU 314 CO -0.06 0.43 0.00 0.00 -1.00 0.00 0.00 179.01 178.38 3dmd h ARG 315 N 0.67 0.85 -0.09 2.33 2.47 -0.74 0.40 114.38 120.25 3dmd h ARG 315 Ca 0.34 -0.23 -0.07 0.00 -1.26 0.00 0.00 59.98 58.76 3dmd h ARG 315 Cb 0.30 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 3dmd h ARG 315 CO -0.23 0.84 -0.20 0.82 0.56 0.00 0.00 179.97 181.76 3dmd h ILE 316 N 0.79 1.40 0.00 2.04 2.04 -0.46 -3.37 117.51 119.94 3dmd h ILE 316 Ca 0.15 -1.50 -0.32 0.00 1.00 0.00 0.00 64.86 64.19 3dmd h ILE 316 Cb 0.47 2.14 -0.06 0.00 -0.74 0.00 0.00 36.82 38.63 3dmd h ILE 316 CO 0.02 0.43 -1.95 0.49 0.00 0.00 0.00 178.15 177.14 3dmd n PHE 317 N -4.53 0.66 -0.11 1.37 3.72 -0.09 -4.51 117.46 113.96 3dmd n PHE 317 Ca -0.07 0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 3dmd n PHE 317 Cb 0.41 -1.12 0.00 0.00 -0.94 0.00 0.00 39.48 37.83 3dmd n PHE 317 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12