#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dmd n PHE 2 N 0.00 -0.02 -0.35 1.12 3.72 -0.01 -4.83 117.46 117.10 3dmd n PHE 2 Ca 0.00 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 3dmd n PHE 2 Cb 0.00 -2.59 0.27 0.00 -0.94 0.00 0.00 39.48 36.23 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 1.66 0.94 1.37 0.00 -1.75 -0.94 103.07 104.35 3dmd h GLY 3 Ca -0.18 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 3dmd h GLY 3 CO 0.27 0.02 -0.32 1.70 0.00 0.00 0.00 176.54 178.21 3dmd h LYS 4 N 0.82 -0.85 -0.59 4.80 1.63 -1.70 0.26 116.57 120.94 3dmd h LYS 4 Ca 0.53 0.06 0.11 0.00 -0.85 0.00 0.00 60.65 60.49 3dmd h LYS 4 Cb 0.70 0.19 -0.08 0.00 -0.60 0.00 0.00 32.23 32.44 3dmd h LYS 4 CO -0.34 -0.55 0.12 1.25 -3.45 0.00 0.00 179.45 176.49 3dmd h LEU 5 N -0.96 0.00 -1.05 5.20 5.85 -1.28 -1.40 115.31 121.67 3dmd h LEU 5 Ca -0.09 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3dmd h LEU 5 Cb 0.70 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 3dmd h LEU 5 CO 0.15 0.01 0.28 -0.09 -0.34 0.00 0.00 178.44 178.45 3dmd h ARG 6 N 0.26 0.96 -0.99 1.25 2.43 -1.02 -0.75 114.38 116.51 3dmd h ARG 6 Ca 0.31 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 3dmd h ARG 6 Cb 0.45 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 3dmd h ARG 6 CO -0.39 0.77 0.65 1.49 -1.51 0.00 0.00 179.97 180.98 3dmd h GLU 7 N 0.95 1.27 0.12 0.20 4.81 0.54 -1.67 114.58 120.80 3dmd h GLU 7 Ca 0.23 -0.08 -0.25 0.00 -0.13 0.00 0.00 59.36 59.13 3dmd h GLU 7 Cb 0.15 -0.29 0.03 0.00 0.63 0.00 0.00 28.75 29.27 3dmd h GLU 7 CO -0.02 0.84 -1.04 0.87 -0.73 0.00 0.00 179.01 178.93 3dmd h LYS 8 N 1.31 0.49 -0.57 1.92 1.79 -0.51 -2.58 116.57 118.42 3dmd h LYS 8 Ca 0.37 -0.69 -0.02 0.00 -2.18 0.00 0.00 60.65 58.13 3dmd h LYS 8 Cb -0.10 0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 3dmd h LYS 8 CO -0.09 1.30 0.27 -0.07 -1.08 0.00 0.00 179.45 179.78 3dmd h LEU 9 N 0.02 0.72 -0.43 2.94 3.38 -1.16 -2.70 115.31 118.08 3dmd h LEU 9 Ca -0.16 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3dmd h LEU 9 Cb 1.76 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 3dmd h LEU 9 CO 0.20 0.61 0.18 0.50 0.09 0.00 0.00 178.44 180.03 3dmd h LYS 10 N 0.80 0.63 0.00 1.13 3.64 -1.25 -2.70 116.57 118.81 3dmd h LYS 10 Ca 0.20 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 3dmd h LYS 10 Cb 0.09 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3dmd h LYS 10 CO -0.03 0.57 -0.38 0.66 -2.27 0.00 0.00 179.45 178.01 3dmd h SER 11 N 0.55 0.00 -0.20 4.20 4.64 -1.24 -2.55 113.55 118.94 3dmd h SER 11 Ca 0.14 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.43 3dmd h SER 11 Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3dmd h SER 11 CO -0.01 0.38 -0.02 0.15 -0.87 0.00 0.00 176.83 176.45 3dmd h PHE 12 N 0.00 0.41 -0.25 4.77 3.57 -1.30 -1.92 116.94 122.22 3dmd h PHE 12 Ca -0.00 -0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.48 3dmd h PHE 12 Cb 0.87 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.45 3dmd h PHE 12 CO 0.00 0.58 -0.13 0.28 -2.23 0.00 0.00 178.31 176.81 3dmd h VAL 13 N 0.11 0.59 -0.90 1.41 2.07 -1.36 -1.43 116.25 116.74 3dmd h VAL 13 Ca 0.05 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.69 3dmd h VAL 13 Cb 0.44 0.59 -0.08 0.00 -1.52 0.00 0.00 31.29 30.72 3dmd h VAL 13 CO 0.01 0.00 0.53 0.11 0.02 0.00 0.00 177.57 178.24 3dmd h LYS 14 N -0.11 0.82 -0.20 1.57 1.57 -1.35 -0.91 116.57 117.97 3dmd h LYS 14 Ca 0.13 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.70 3dmd h LYS 14 Cb 0.31 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3dmd h LYS 14 CO -0.32 0.54 -0.54 0.00 -0.57 0.00 0.00 179.45 178.56 3dmd h ARG 15 N 0.84 0.58 -0.21 3.15 3.08 -0.72 -2.15 114.38 118.96 3dmd h ARG 15 Ca 0.45 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3dmd h ARG 15 Cb 0.46 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 3dmd h ARG 15 CO -0.27 0.98 0.03 0.28 -1.07 0.00 0.00 179.97 179.91 3dmd h VAL 16 N 0.45 1.23 -0.69 2.04 2.07 -0.75 -2.84 116.25 117.77 3dmd h VAL 16 Ca 0.01 -0.78 0.13 0.00 0.82 0.00 0.00 66.70 66.88 3dmd h VAL 16 Cb 1.09 1.35 -0.13 0.00 -1.52 0.00 0.00 31.29 32.08 3dmd h VAL 16 CO 0.10 0.24 -0.27 -0.33 0.02 0.00 0.00 177.57 177.33 3dmd h GLU 17 N 0.13 -0.07 -0.80 1.57 5.08 -1.08 0.16 114.58 119.57 3dmd h GLU 17 Ca 0.06 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3dmd h GLU 17 Cb 0.34 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 3dmd h GLU 17 CO 0.01 -0.05 0.52 0.93 -1.00 0.00 0.00 179.01 179.42 3dmd h GLU 18 N -0.08 0.91 -0.23 2.33 5.08 -1.29 0.60 114.58 121.91 3dmd h GLU 18 Ca 0.30 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.48 3dmd h GLU 18 Cb 0.55 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 3dmd h GLU 18 CO -0.74 0.60 -0.35 0.93 -1.00 0.00 0.00 179.01 178.45 3dmd h GLU 19 N 0.94 0.65 -0.89 2.33 4.39 -1.06 -2.60 114.58 118.34 3dmd h GLU 19 Ca 0.33 -0.39 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 3dmd h GLU 19 Cb 0.11 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 3dmd h GLU 19 CO -0.10 1.00 0.53 0.28 -1.16 0.00 0.00 179.01 179.55 3dmd h VAL 20 N 0.35 1.25 -0.64 3.13 2.07 -0.41 -1.52 116.25 120.49 3dmd h VAL 20 Ca 0.02 -0.57 0.10 0.00 0.82 0.00 0.00 66.70 67.07 3dmd h VAL 20 Cb 0.94 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 3dmd h VAL 20 CO 0.08 0.27 0.26 -0.33 0.02 0.00 0.00 177.57 177.87 3dmd h GLU 21 N 1.23 0.44 -0.11 1.57 5.08 -0.82 -0.56 114.58 121.41 3dmd h GLU 21 Ca 0.32 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.59 3dmd h GLU 21 Cb -0.03 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3dmd h GLU 21 CO -0.06 0.29 -0.22 0.87 -1.00 0.00 0.00 179.01 178.89 3dmd h LYS 22 N 0.45 0.18 -0.75 2.33 1.57 -0.98 -0.11 116.57 119.26 3dmd h LYS 22 Ca 0.32 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 3dmd h LYS 22 Cb 0.39 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 3dmd h LYS 22 CO -0.30 0.40 0.41 0.93 -0.57 0.00 0.00 179.45 180.31 3dmd h GLU 23 N 0.17 1.05 -0.17 3.15 4.39 -0.16 -0.73 114.58 122.27 3dmd h GLU 23 Ca 0.03 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 3dmd h GLU 23 Cb 0.49 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3dmd h GLU 23 CO 0.03 0.78 -0.14 0.93 -1.16 0.00 0.00 179.01 179.45 3dmd h GLU 24 N 1.04 0.40 -0.61 2.33 5.08 -0.37 -2.71 114.58 119.74 3dmd h GLU 24 Ca 0.26 -0.20 0.11 0.00 -1.00 0.00 0.00 59.36 58.53 3dmd h GLU 24 Cb 0.04 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3dmd h GLU 24 CO -0.04 0.75 0.41 0.93 -1.00 0.00 0.00 179.01 180.06 3dmd h GLU 25 N 0.06 0.37 -0.57 2.33 5.08 -0.91 0.22 114.58 121.16 3dmd h GLU 25 Ca 0.03 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 3dmd h GLU 25 Cb 0.66 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3dmd h GLU 25 CO 0.04 0.24 0.03 1.49 -1.00 0.00 0.00 179.01 179.82 3dmd h GLU 26 N 0.38 0.96 -0.45 2.33 4.81 -0.90 -0.41 114.58 121.28 3dmd h GLU 26 Ca 0.28 -0.27 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 3dmd h GLU 26 Cb 0.60 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 3dmd h GLU 26 CO -0.08 0.92 -0.22 0.28 -0.73 0.00 0.00 179.01 179.18 3dmd h VAL 27 N 0.89 1.27 -0.17 0.32 2.07 -0.73 -2.87 116.25 117.03 3dmd h VAL 27 Ca 0.17 -1.38 0.05 0.00 0.82 0.00 0.00 66.70 66.36 3dmd h VAL 27 Cb 0.47 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 3dmd h VAL 27 CO 0.02 0.47 -0.20 -0.08 0.02 0.00 0.00 177.57 177.80 3dmd h GLU 28 N 0.81 -0.22 -0.51 1.57 4.81 -0.71 -2.80 114.58 117.53 3dmd h GLU 28 Ca 0.10 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.45 3dmd h GLU 28 Cb 0.79 0.05 -0.10 0.00 0.63 0.00 0.00 28.75 30.12 3dmd h GLU 28 CO 0.07 -0.15 -0.16 0.87 -0.73 0.00 0.00 179.01 178.91 3dmd h LYS 29 N -0.23 -0.04 0.00 1.92 1.57 -0.87 0.66 116.57 119.59 3dmd h LYS 29 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3dmd h LYS 29 Cb 0.40 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3dmd h LYS 29 CO -0.30 -0.02 0.00 1.63 -0.57 0.00 0.00 179.45 180.18 3dmd n LYS 30 N -5.38 0.67 -3.82 3.15 5.02 -1.11 -4.84 118.16 111.84 3dmd n LYS 30 Ca 0.05 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.08 3dmd n LYS 30 Cb 0.29 -1.15 0.02 0.00 -0.02 0.00 0.00 35.03 34.16 3dmd n LYS 30 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dmd n GLY 31 N 0.23 -0.34 0.43 0.72 0.00 0.22 -4.89 105.19 101.56 3dmd n GLY 31 Ca 0.05 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.42 2.09 0.13 0.99 4.77 -1.07 -4.60 117.00 114.89 3dmd n LEU 32 Ca -0.19 -1.29 0.19 0.00 -0.03 0.00 0.00 56.01 54.69 3dmd n LEU 32 Cb 0.63 -0.06 0.77 0.00 -2.33 0.00 0.00 43.42 42.43 3dmd n LEU 32 CO 0.72 0.45 1.17 -0.07 -1.33 0.00 0.00 177.39 178.33 3dmd h LEU 33 N 1.84 0.00 -1.10 2.23 3.38 -1.83 -1.21 115.31 118.61 3dmd h LEU 33 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dmd h LEU 33 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3dmd h LEU 33 CO 0.00 0.00 0.00 -2.24 0.09 0.00 0.00 178.44 176.29 3dmd h ASP 34 N 0.00 0.00 0.00 -0.43 2.03 -1.96 -3.35 116.42 112.71 3dmd h ASP 34 Ca 0.16 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.46 3dmd h ASP 34 Cb 0.91 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.41 3dmd h ASP 34 CO -0.00 0.00 -0.25 -2.11 -1.03 0.00 0.00 179.24 175.85 3dmd n ARG 35 N -2.77 3.38 -4.29 4.15 1.85 -0.53 -5.03 116.66 113.42 3dmd n ARG 35 Ca 0.01 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.53 3dmd n ARG 35 Cb 0.29 -0.50 -0.14 0.00 -1.05 0.00 0.00 32.46 31.05 3dmd n ARG 35 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 3dmd s ILE 36 N -0.82 3.02 -1.18 8.89 -4.36 -0.79 -4.99 121.20 120.97 3dmd s ILE 36 Ca 0.00 -0.64 0.17 0.00 -0.26 0.00 0.00 60.65 59.92 3dmd s ILE 36 Cb 0.00 -2.32 -0.09 0.00 1.25 0.00 0.00 42.46 41.30 3dmd s ILE 36 CO 0.00 0.48 0.79 0.18 0.24 0.00 0.00 174.94 176.64 3dmd n LEU 37 N 4.27 1.24 -4.01 0.37 4.32 -1.26 -4.67 117.00 117.25 3dmd n LEU 37 Ca -0.19 -0.64 -0.10 0.00 -0.02 0.00 0.00 56.01 55.07 3dmd n LEU 37 Cb 0.51 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.20 3dmd n LEU 37 CO 0.29 0.26 -0.37 0.42 -1.22 0.00 0.00 177.39 176.77 3dmd s THR 38 N -2.25 0.25 0.12 -5.08 -4.23 -1.26 -1.42 115.64 101.77 3dmd s THR 38 Ca 0.10 -1.02 0.09 0.00 -1.18 0.00 0.00 61.69 59.69 3dmd s THR 38 Cb 0.13 -0.44 -0.04 0.00 1.34 0.00 0.00 72.50 73.49 3dmd s THR 38 CO 0.54 -0.49 -0.20 0.68 -0.54 0.00 0.00 174.62 174.61 3dmd s VAL 39 N -1.58 2.73 -0.21 2.29 -7.23 -0.73 -4.89 120.40 110.79 3dmd s VAL 39 Ca -0.13 -1.54 -0.07 0.00 -1.81 0.00 0.00 61.98 58.43 3dmd s VAL 39 Cb -0.09 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 3dmd s VAL 39 CO -0.01 0.11 0.07 -1.83 -0.31 0.00 0.00 175.10 173.12 3dmd s GLU 40 N -2.09 3.85 0.01 4.82 -1.05 -1.26 -0.38 118.70 122.60 3dmd s GLU 40 Ca 0.17 -0.40 -0.35 0.00 -0.15 0.00 0.00 54.97 54.25 3dmd s GLU 40 Cb -0.10 -3.25 -0.13 0.00 -0.44 0.00 0.00 34.13 30.20 3dmd s GLU 40 CO 0.09 0.10 1.69 -0.89 0.95 0.00 0.00 175.26 177.20 3dmd n ILE 41 N 4.06 0.27 -3.90 1.83 5.41 -0.11 -4.82 119.36 122.11 3dmd n ILE 41 Ca -0.16 -0.05 -0.21 0.00 1.00 0.00 0.00 62.75 63.33 3dmd n ILE 41 Cb 0.52 -1.58 -0.03 0.00 -0.71 0.00 0.00 39.64 37.83 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 2.40 2.89 0.28 0.38 1.02 -1.26 -0.26 119.74 125.19 3dmd s LYS 42 Ca 0.87 -1.14 -0.03 0.00 0.02 0.00 0.00 55.97 55.68 3dmd s LYS 42 Cb -0.74 -2.57 0.38 0.00 -0.52 0.00 0.00 37.83 34.38 3dmd s LYS 42 CO 0.47 0.22 1.94 0.93 -0.92 0.00 0.00 175.35 177.99 3dmd h GLU 43 N 1.29 1.13 0.00 1.68 5.08 -1.95 0.11 114.58 121.93 3dmd h GLU 43 Ca -0.47 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 3dmd h GLU 43 Cb 1.25 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3dmd h GLU 43 CO 0.59 0.77 0.18 0.36 -1.00 0.00 0.00 179.01 179.92 3dmd n LYS 44 N -4.38 0.10 0.00 2.33 2.85 -1.26 -1.44 118.16 116.36 3dmd n LYS 44 Ca 0.09 0.59 -0.06 0.00 -1.05 0.00 0.00 58.31 57.88 3dmd n LYS 44 Cb 0.05 -2.03 -0.12 0.00 -0.65 0.00 0.00 35.03 32.28 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 -1.16 -3.39 116.42 109.61 3dmd h ASP 45 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dmd h ASP 45 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3dmd h ASP 45 CO 0.00 0.87 -0.82 1.33 -1.72 0.00 0.00 179.24 178.91 3dmd n VAL 46 N -3.02 0.00 0.36 -1.35 0.24 -0.52 -4.70 118.33 109.33 3dmd n VAL 46 Ca -0.13 -0.21 -0.14 0.00 -2.04 0.00 0.00 64.34 61.81 3dmd n VAL 46 Cb 0.98 0.84 -0.07 0.00 -1.47 0.00 0.00 33.84 34.13 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 -0.79 -0.97 -1.34 3.32 -1.45 0.18 116.42 115.37 3dmd h ASP 47 Ca 0.00 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.11 3dmd h ASP 47 Cb 0.37 0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.07 3dmd h ASP 47 CO 0.00 -0.50 0.63 0.50 -1.72 0.00 0.00 179.24 178.15 3dmd h LYS 48 N -1.06 1.19 -0.49 3.56 3.64 -1.86 -0.90 116.57 120.66 3dmd h LYS 48 Ca -0.10 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.15 3dmd h LYS 48 Cb 0.72 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 3dmd h LYS 48 CO 0.16 0.79 0.03 0.00 -2.27 0.00 0.00 179.45 178.15 3dmd h ALA 49 N 1.43 1.14 -0.16 5.00 0.00 -1.83 -1.03 119.26 123.81 3dmd h ALA 49 Ca 0.38 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3dmd h ALA 49 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3dmd h ALA 49 CO -0.11 0.56 -0.42 -0.07 0.00 0.00 0.00 179.25 179.21 3dmd h LEU 50 N 0.74 0.38 -0.53 0.00 3.38 0.23 -0.59 115.31 118.92 3dmd h LEU 50 Ca 0.15 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3dmd h LEU 50 Cb 0.41 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3dmd h LEU 50 CO 0.01 0.76 0.04 0.44 0.09 0.00 0.00 178.44 179.78 3dmd h ASP 51 N 0.30 0.88 -0.27 -0.43 3.32 -0.71 -1.43 116.42 118.08 3dmd h ASP 51 Ca 0.03 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 56.72 3dmd h ASP 51 Cb 0.86 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 3dmd h ASP 51 CO 0.07 0.95 -0.05 -0.33 -1.72 0.00 0.00 179.24 178.16 3dmd h GLU 52 N 0.78 0.63 -0.17 3.56 4.39 -0.94 -2.30 114.58 120.53 3dmd h GLU 52 Ca 0.15 -0.17 -0.12 0.00 0.34 0.00 0.00 59.36 59.57 3dmd h GLU 52 Cb 0.47 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3dmd h GLU 52 CO 0.02 0.69 -0.40 1.25 -1.16 0.00 0.00 179.01 179.40 3dmd h LEU 53 N 0.59 0.40 0.09 1.33 5.85 -0.81 -0.45 115.31 122.31 3dmd h LEU 53 Ca 0.11 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 3dmd h LEU 53 Cb 0.45 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3dmd h LEU 53 CO 0.02 0.77 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.77 3dmd h GLU 54 N 0.32 -0.11 0.13 1.25 4.81 -0.78 0.20 114.58 120.40 3dmd h GLU 54 Ca 0.03 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3dmd h GLU 54 Cb 0.85 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.22 3dmd h GLU 54 CO 0.07 -0.04 -0.33 0.82 -0.73 0.00 0.00 179.01 178.80 3dmd h ILE 55 N -0.16 0.30 -0.77 2.32 2.04 -1.20 -1.43 117.51 118.61 3dmd h ILE 55 Ca -0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.88 3dmd h ILE 55 Cb 0.13 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 3dmd h ILE 55 CO 0.02 0.00 0.49 0.44 0.00 0.00 0.00 178.15 179.10 3dmd h ASP 56 N -0.57 0.80 -0.28 1.72 3.32 -0.92 -1.87 116.42 118.62 3dmd h ASP 56 Ca 0.03 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.93 3dmd h ASP 56 Cb 0.59 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 3dmd h ASP 56 CO -0.19 0.55 -0.38 -0.07 -1.72 0.00 0.00 179.24 177.43 3dmd h LEU 57 N 0.94 0.82 -0.75 1.55 3.38 -0.41 -1.95 115.31 118.89 3dmd h LEU 57 Ca 0.31 -0.50 0.06 0.00 0.09 0.00 0.00 57.88 57.84 3dmd h LEU 57 Cb 0.03 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 3dmd h LEU 57 CO -0.12 1.16 0.44 -0.07 0.09 0.00 0.00 178.44 179.94 3dmd h LEU 58 N 0.51 0.66 -1.42 1.67 3.38 -1.06 -0.95 115.31 118.09 3dmd h LEU 58 Ca 0.03 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3dmd h LEU 58 Cb 0.97 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3dmd h LEU 58 CO 0.09 0.42 -0.09 -0.33 0.09 0.00 0.00 178.44 178.62 3dmd h GLU 59 N 0.79 0.00 -0.48 1.13 4.39 -1.20 -2.45 114.58 116.75 3dmd h GLU 59 Ca 0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 3dmd h GLU 59 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3dmd h GLU 59 CO -0.19 0.09 0.00 0.00 -1.16 0.00 0.00 179.01 177.75 3dmd n ALA 60 N -2.15 2.61 -1.17 3.43 0.00 -0.69 -4.91 120.51 117.62 3dmd n ALA 60 Ca 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 53.44 52.63 3dmd n ALA 60 Cb 0.34 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 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 0.62 -3.13 -4.70 0.00 8.00 -0.92 -3.30 116.55 113.12 3dmd n ASP 61 Ca 0.14 0.06 -0.42 0.00 0.71 0.00 0.00 54.79 55.27 3dmd n ASP 61 Cb 0.43 -1.02 -0.03 0.00 -0.02 0.00 0.00 41.12 40.49 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 -2.10 4.85 0.48 2.53 1.01 -0.45 -2.75 120.40 123.98 3dmd s VAL 62 Ca 0.00 2.00 -0.24 0.00 0.00 0.00 0.00 61.98 63.74 3dmd s VAL 62 Cb 0.00 -4.29 -0.07 0.00 0.00 0.00 0.00 36.38 32.01 3dmd s VAL 62 CO 0.00 0.10 1.39 0.00 0.00 0.00 0.00 175.10 176.59 3dmd n ALA 63 N 4.38 1.80 -0.20 5.51 0.00 -1.26 -4.40 120.51 126.34 3dmd n ALA 63 Ca 0.07 0.20 -0.00 0.00 0.00 0.00 0.00 53.44 53.71 3dmd n ALA 63 Cb 0.50 -2.37 0.08 0.00 0.00 0.00 0.00 19.45 17.66 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 1.95 -0.44 -0.81 0.00 5.85 -1.97 0.02 115.31 119.91 3dmd h LEU 64 Ca -0.51 0.17 0.16 0.00 0.84 0.00 0.00 57.88 58.54 3dmd h LEU 64 Cb 1.28 0.33 -0.10 0.00 0.37 0.00 0.00 40.66 42.55 3dmd h LEU 64 CO 0.59 -0.17 0.36 -0.33 -0.34 0.00 0.00 178.44 178.56 3dmd h GLU 65 N 0.05 0.49 -0.08 1.25 3.07 -2.00 -0.74 114.58 116.61 3dmd h GLU 65 Ca 0.31 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 58.99 3dmd h GLU 65 Cb 0.48 -0.11 0.01 0.00 -0.84 0.00 0.00 28.75 28.29 3dmd h GLU 65 CO -0.58 0.32 -0.51 0.28 -1.40 0.00 0.00 179.01 177.12 3dmd h VAL 66 N 0.50 1.38 -0.54 3.13 2.07 -1.54 -1.97 116.25 119.27 3dmd h VAL 66 Ca 0.46 -1.86 0.09 0.00 0.82 0.00 0.00 66.70 66.20 3dmd h VAL 66 Cb 0.71 2.27 -0.07 0.00 -1.52 0.00 0.00 31.29 32.68 3dmd h VAL 66 CO -0.41 0.55 0.15 0.58 0.02 0.00 0.00 177.57 178.47 3dmd h VAL 67 N 0.06 0.74 -0.62 2.57 2.07 -0.47 0.27 116.25 120.88 3dmd h VAL 67 Ca -0.04 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 3dmd h VAL 67 Cb 1.16 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3dmd h VAL 67 CO 0.10 0.06 0.06 0.44 0.02 0.00 0.00 177.57 178.25 3dmd h ASP 68 N 0.31 1.03 -0.25 0.57 3.32 -1.16 -1.41 116.42 118.82 3dmd h ASP 68 Ca 0.27 -0.28 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 3dmd h ASP 68 Cb 0.35 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3dmd h ASP 68 CO -0.32 1.05 -0.30 0.00 -1.72 0.00 0.00 179.24 177.96 3dmd h ALA 69 N 1.01 0.80 -0.07 3.45 0.00 -0.76 -2.89 119.26 120.81 3dmd h ALA 69 Ca 0.18 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3dmd h ALA 69 Cb 0.49 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3dmd h ALA 69 CO 0.02 0.65 0.02 -0.07 0.00 0.00 0.00 179.25 179.87 3dmd h LEU 70 N 0.65 0.10 -0.64 0.00 3.38 -0.32 -1.03 115.31 117.46 3dmd h LEU 70 Ca 0.07 -0.21 0.13 0.00 0.09 0.00 0.00 57.88 57.97 3dmd h LEU 70 Cb 0.83 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.45 3dmd h LEU 70 CO 0.07 0.28 0.05 0.03 0.09 0.00 0.00 178.44 178.97 3dmd h ARG 71 N -0.09 0.16 -0.06 1.13 3.08 -1.22 0.19 114.38 117.58 3dmd h ARG 71 Ca 0.02 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 3dmd h ARG 71 Cb 0.22 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.24 3dmd h ARG 71 CO -0.00 0.11 -0.41 0.93 -1.07 0.00 0.00 179.97 179.52 3dmd h GLU 72 N 0.17 0.38 -0.65 0.04 4.39 -1.47 0.35 114.58 117.79 3dmd h GLU 72 Ca 0.34 -0.33 0.13 0.00 0.34 0.00 0.00 59.36 59.83 3dmd h GLU 72 Cb 0.55 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.24 3dmd h GLU 72 CO -0.51 0.98 0.44 0.87 -1.16 0.00 0.00 179.01 179.64 3dmd h LYS 73 N -0.11 0.34 0.00 2.33 1.57 -0.83 -1.94 116.57 117.93 3dmd h LYS 73 Ca -0.03 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 3dmd h LYS 73 Cb 1.08 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 3dmd h LYS 73 CO 0.08 0.22 -0.59 0.82 -0.57 0.00 0.00 179.45 179.42 3dmd h ILE 74 N 0.35 1.39 -0.25 1.86 2.04 -0.88 -3.02 117.51 119.00 3dmd h ILE 74 Ca 0.31 -2.27 0.07 0.00 1.00 0.00 0.00 64.86 63.97 3dmd h ILE 74 Cb 0.74 2.85 -0.01 0.00 -0.74 0.00 0.00 36.82 39.66 3dmd h ILE 74 CO -0.08 0.47 0.24 0.50 0.00 0.00 0.00 178.15 179.27 3dmd h LYS 75 N -1.00 0.00 0.00 2.37 3.64 -0.16 0.92 116.57 122.34 3dmd h LYS 75 Ca -0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3dmd h LYS 75 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3dmd h LYS 75 CO -0.10 0.00 -1.71 1.04 -2.27 0.00 0.00 179.45 176.41 3dmd n GLN 76 N -3.96 0.56 0.13 1.90 1.13 -0.74 -2.56 117.38 113.84 3dmd n GLN 76 Ca 0.03 -0.13 0.12 0.00 -1.94 0.00 0.00 57.00 55.09 3dmd n GLN 76 Cb 0.38 -1.56 0.21 0.00 0.11 0.00 0.00 30.24 29.38 3dmd n GLN 76 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 3dmd h LYS 77 N 0.00 0.00 0.00 -1.09 1.57 -0.74 -3.39 116.57 112.92 3dmd h LYS 77 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 3dmd h LYS 77 Cb 0.93 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.19 3dmd h LYS 77 CO 0.00 0.00 -2.13 1.28 -0.57 0.00 0.00 179.45 178.03 3dmd n LEU 78 N -2.53 1.48 -4.69 2.94 4.77 -0.37 -4.74 117.00 113.86 3dmd n LEU 78 Ca 0.04 0.23 -0.45 0.00 -0.03 0.00 0.00 56.01 55.80 3dmd n LEU 78 Cb 0.48 -0.60 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 3dmd n LEU 78 CO 0.35 0.44 1.28 0.52 -1.33 0.00 0.00 177.39 178.65 3dmd n VAL 79 N -3.88 0.05 0.00 4.08 0.31 -1.06 -1.21 118.33 116.62 3dmd n VAL 79 Ca -0.40 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 3dmd n VAL 79 Cb 0.79 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 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 3.70 1.87 3.72 2.92 0.00 0.65 -4.87 105.19 113.17 3dmd n GLY 80 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.46 4.51 0.01 1.61 2.47 -0.35 -4.76 119.74 122.76 3dmd s LYS 81 Ca 0.00 1.71 -0.23 0.00 -1.56 0.00 0.00 55.97 55.89 3dmd s LYS 81 Cb 0.00 -3.33 -0.05 0.00 -1.46 0.00 0.00 37.83 32.99 3dmd s LYS 81 CO 0.00 -0.10 0.69 0.15 0.16 0.00 0.00 175.35 176.24 3dmd s LYS 82 N 0.49 4.42 0.21 4.03 1.02 -1.26 -0.93 119.74 127.71 3dmd s LYS 82 Ca 0.54 0.90 0.10 0.00 0.02 0.00 0.00 55.97 57.54 3dmd s LYS 82 Cb -0.28 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.61 3dmd s LYS 82 CO 0.31 0.28 -0.19 0.14 -0.92 0.00 0.00 175.35 174.98 3dmd s VAL 83 N 0.02 2.10 -0.25 3.17 -7.23 0.49 -4.98 120.40 113.71 3dmd s VAL 83 Ca 0.35 -2.12 -0.26 0.00 -1.81 0.00 0.00 61.98 58.13 3dmd s VAL 83 Cb -0.19 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 34.69 3dmd s VAL 83 CO 0.20 -0.34 0.92 -0.60 -0.31 0.00 0.00 175.10 174.97 3dmd s ARG 84 N -3.11 4.19 0.21 4.82 6.06 -1.26 -1.77 118.95 128.09 3dmd s ARG 84 Ca 0.22 1.09 -0.32 0.00 -2.50 0.00 0.00 55.73 54.21 3dmd s ARG 84 Cb -0.05 -3.65 -0.14 0.00 0.06 0.00 0.00 34.95 31.17 3dmd s ARG 84 CO 0.10 -0.59 1.44 -0.89 -2.50 0.00 0.00 175.30 172.85 3dmd n ILE 85 N 5.34 0.63 0.00 4.11 5.41 -0.50 -2.11 119.36 132.23 3dmd n ILE 85 Ca 0.08 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.67 3dmd n ILE 85 Cb 0.47 -1.42 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 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 2.51 2.08 3.95 7.39 0.00 -1.26 -4.98 105.19 114.88 3dmd n GLY 86 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 3dmd n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dmd n THR 87 N -2.00 0.00 -2.95 2.61 -2.24 -0.90 -5.02 114.28 103.78 3dmd n THR 87 Ca 0.00 -1.27 -0.43 0.00 -2.27 0.00 0.00 64.05 60.08 3dmd n THR 87 Cb 0.00 -1.22 -0.05 0.00 -2.10 0.00 0.00 70.33 66.95 3dmd n THR 87 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dmd s ASP 88 N -5.60 6.41 0.51 3.42 2.15 -1.26 -4.92 116.67 117.38 3dmd s ASP 88 Ca 0.73 -0.13 0.29 0.00 0.43 0.00 0.00 52.55 53.87 3dmd s ASP 88 Cb -0.03 -2.39 1.26 0.00 -0.30 0.00 0.00 42.92 41.46 3dmd s ASP 88 CO 0.50 -0.94 1.96 0.11 -0.17 0.00 0.00 175.17 176.62 3dmd h LYS 89 N 9.01 0.00 -0.75 4.34 1.79 -1.95 -3.31 116.57 125.69 3dmd h LYS 89 Ca -0.25 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.38 3dmd h LYS 89 Cb 1.08 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.63 3dmd h LYS 89 CO 0.97 0.12 0.23 0.78 -1.08 0.00 0.00 179.45 180.47 3dmd h GLY 90 N 1.71 1.10 0.75 3.86 0.00 -1.94 -0.45 103.07 108.10 3dmd h GLY 90 Ca -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 3dmd h GLY 90 CO 0.02 -0.17 -0.00 0.50 0.00 0.00 0.00 176.54 176.88 3dmd h LYS 91 N 0.33 -0.00 0.54 4.80 1.57 -1.99 -2.32 116.57 119.50 3dmd h LYS 91 Ca 0.43 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.19 3dmd h LYS 91 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3dmd h LYS 91 CO -0.48 0.25 -0.39 0.82 -0.57 0.00 0.00 179.45 179.08 3dmd h ILE 92 N -0.25 0.21 -0.23 1.86 2.04 -1.55 -0.42 117.51 119.17 3dmd h ILE 92 Ca -0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 3dmd h ILE 92 Cb 0.25 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3dmd h ILE 92 CO 0.00 0.00 0.10 0.40 0.00 0.00 0.00 178.15 178.65 3dmd h ILE 93 N -0.90 0.97 -0.27 -0.67 2.04 -1.19 -1.01 117.51 116.48 3dmd h ILE 93 Ca -0.06 -0.07 0.07 0.00 1.00 0.00 0.00 64.86 65.79 3dmd h ILE 93 Cb 0.75 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3dmd h ILE 93 CO 0.02 0.04 0.19 -0.08 0.00 0.00 0.00 178.15 178.32 3dmd h GLU 94 N 0.21 0.05 -0.26 2.37 4.81 -1.33 -1.98 114.58 118.45 3dmd h GLU 94 Ca 0.10 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3dmd h GLU 94 Cb 0.05 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3dmd h GLU 94 CO -0.08 0.04 0.05 1.49 -0.73 0.00 0.00 179.01 179.77 3dmd h GLU 95 N 0.06 0.43 -0.41 1.92 4.57 0.29 0.97 114.58 122.40 3dmd h GLU 95 Ca 0.12 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3dmd h GLU 95 Cb 0.43 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 3dmd h GLU 95 CO -0.01 0.55 0.25 0.00 -1.18 0.00 0.00 179.01 178.62 3dmd h ALA 96 N 0.87 0.52 -0.29 2.92 0.00 -1.01 -0.47 119.26 121.79 3dmd h ALA 96 Ca 0.08 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3dmd h ALA 96 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3dmd h ALA 96 CO 0.00 0.01 0.17 0.28 0.00 0.00 0.00 179.25 179.72 3dmd h VAL 97 N 0.54 1.04 -0.82 0.00 2.07 -1.27 -0.41 116.25 117.41 3dmd h VAL 97 Ca 0.15 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.61 3dmd h VAL 97 Cb -0.01 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 3dmd h VAL 97 CO -0.03 0.07 0.53 0.50 0.02 0.00 0.00 177.57 178.66 3dmd h LYS 98 N 0.36 0.85 -0.25 1.57 3.64 -0.44 -0.22 116.57 122.08 3dmd h LYS 98 Ca 0.11 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 3dmd h LYS 98 Cb -0.01 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3dmd h LYS 98 CO -0.05 0.56 -0.18 0.93 -2.27 0.00 0.00 179.45 178.44 3dmd h GLU 99 N 0.87 0.56 -0.61 1.90 5.08 -0.35 -1.92 114.58 120.11 3dmd h GLU 99 Ca 0.35 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3dmd h GLU 99 Cb 0.26 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3dmd h GLU 99 CO -0.13 0.85 0.36 0.00 -1.00 0.00 0.00 179.01 179.09 3dmd h ALA 100 N 0.70 0.78 -0.47 3.43 0.00 -0.33 0.12 119.26 123.49 3dmd h ALA 100 Ca 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3dmd h ALA 100 Cb 0.72 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3dmd h ALA 100 CO 0.05 0.28 0.13 0.28 0.00 0.00 0.00 179.25 179.99 3dmd h VAL 101 N 0.83 1.20 -0.47 0.00 2.07 -1.03 -1.31 116.25 117.54 3dmd h VAL 101 Ca 0.22 -0.70 -0.13 0.00 0.82 0.00 0.00 66.70 66.91 3dmd h VAL 101 Cb -0.00 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3dmd h VAL 101 CO -0.04 0.26 -0.23 -1.28 0.02 0.00 0.00 177.57 176.30 3dmd h SER 102 N 0.69 1.01 -0.28 0.57 0.87 -0.35 -2.84 113.55 113.22 3dmd h SER 102 Ca 0.16 -0.40 -0.11 0.00 -1.23 0.00 0.00 61.79 60.21 3dmd h SER 102 Cb 0.23 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3dmd h SER 102 CO -0.01 1.19 -0.20 -0.33 -0.53 0.00 0.00 176.83 176.95 3dmd h GLU 103 N 0.83 0.75 -0.18 2.24 5.08 -0.67 -2.39 114.58 120.23 3dmd h GLU 103 Ca 0.10 -0.29 0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3dmd h GLU 103 Cb 0.81 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3dmd h GLU 103 CO 0.07 0.89 0.18 0.82 -1.00 0.00 0.00 179.01 179.97 3dmd h ILE 104 N 0.66 0.56 -0.16 3.13 1.08 -1.04 0.40 117.51 122.13 3dmd h ILE 104 Ca 0.10 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.57 3dmd h ILE 104 Cb 0.70 0.86 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 3dmd h ILE 104 CO 0.05 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 177.69 3dmd n LEU 105 N -3.94 1.71 -4.69 1.44 4.77 -0.90 -4.22 117.00 111.17 3dmd n LEU 105 Ca 0.02 -0.70 -0.40 0.00 -0.03 0.00 0.00 56.01 54.89 3dmd n LEU 105 Cb 0.31 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 3dmd n LEU 105 CO 0.29 0.35 0.42 -1.61 -1.33 0.00 0.00 177.39 175.51 3dmd s GLU 106 N -1.80 4.32 0.29 3.23 0.41 0.13 -4.95 118.70 120.32 3dmd s GLU 106 Ca 0.33 0.79 0.08 0.00 -0.41 0.00 0.00 54.97 55.76 3dmd s GLU 106 Cb 0.18 -3.52 -0.04 0.00 -1.78 0.00 0.00 34.13 28.97 3dmd s GLU 106 CO 0.27 -0.13 0.12 0.95 -0.49 0.00 0.00 175.26 175.98 3dmd s THR 107 N 1.50 3.60 -1.06 3.63 -4.23 -1.26 -4.86 115.64 112.97 3dmd s THR 107 Ca 0.34 -1.65 0.17 0.00 -1.18 0.00 0.00 61.69 59.36 3dmd s THR 107 Cb -0.17 -3.07 0.16 0.00 1.34 0.00 0.00 72.50 70.77 3dmd s THR 107 CO 0.13 -0.29 1.55 -1.54 -0.54 0.00 0.00 174.62 173.93 3dmd n SER 108 N -1.10 0.00 -3.94 3.99 3.41 -1.26 -4.65 113.62 110.07 3dmd n SER 108 Ca -0.05 0.44 -0.15 0.00 -0.26 0.00 0.00 58.87 58.84 3dmd n SER 108 Cb 0.59 -0.47 -0.14 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.94 0.36 0.06 4.33 1.81 -1.26 -5.14 118.95 116.16 3dmd s ARG 109 Ca 0.09 -0.15 0.01 0.00 -1.72 0.00 0.00 55.73 53.97 3dmd s ARG 109 Cb 0.11 -0.35 -0.04 0.00 -0.45 0.00 0.00 34.95 34.22 3dmd s ARG 109 CO 0.31 0.08 0.17 0.50 -0.68 0.00 0.00 175.30 175.68 3dmd s ARG 110 N -0.05 3.26 -0.22 3.54 3.52 -1.26 -4.48 118.95 123.26 3dmd s ARG 110 Ca 0.01 -0.52 0.00 0.00 -0.13 0.00 0.00 55.73 55.09 3dmd s ARG 110 Cb -0.02 -2.94 0.06 0.00 -1.56 0.00 0.00 34.95 30.48 3dmd s ARG 110 CO -0.00 0.60 -0.04 0.42 -0.81 0.00 0.00 175.30 175.46 3dmd s ILE 111 N -1.46 1.34 -0.60 4.11 1.01 -1.26 -5.06 121.20 119.28 3dmd s ILE 111 Ca 0.33 -1.04 -0.20 0.00 0.00 0.00 0.00 60.65 59.73 3dmd s ILE 111 Cb -0.13 -1.62 0.08 0.00 0.01 0.00 0.00 42.46 40.81 3dmd s ILE 111 CO 0.26 -0.07 0.78 -0.62 0.00 0.00 0.00 174.94 175.28 3dmd s ASP 112 N 1.49 6.19 0.09 3.58 -1.08 -1.26 -4.95 116.67 120.73 3dmd s ASP 112 Ca -0.04 -1.18 -0.25 0.00 -0.52 0.00 0.00 52.55 50.55 3dmd s ASP 112 Cb -0.18 -2.34 -0.13 0.00 -1.46 0.00 0.00 42.92 38.81 3dmd s ASP 112 CO -0.07 -1.18 1.70 0.25 0.52 0.00 0.00 175.17 176.39 3dmd h LEU 113 N 10.37 -0.29 -0.81 -1.34 5.85 -1.99 0.91 115.31 128.00 3dmd h LEU 113 Ca -0.29 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3dmd h LEU 113 Cb 1.08 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 3dmd h LEU 113 CO 1.10 -0.18 0.52 0.40 -0.34 0.00 0.00 178.44 179.94 3dmd h ILE 114 N -0.26 1.22 -0.37 4.05 2.04 -1.99 -1.50 117.51 120.69 3dmd h ILE 114 Ca -0.00 -0.44 -0.09 0.00 1.00 0.00 0.00 64.86 65.33 3dmd h ILE 114 Cb 0.24 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 3dmd h ILE 114 CO -0.02 0.22 -0.14 -0.08 0.00 0.00 0.00 178.15 178.13 3dmd h GLU 115 N 1.11 0.75 -0.74 2.37 4.57 -1.89 -1.12 114.58 119.63 3dmd h GLU 115 Ca 0.30 -0.31 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3dmd h GLU 115 Cb -0.09 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 3dmd h GLU 115 CO -0.06 0.92 0.49 0.93 -1.18 0.00 0.00 179.01 180.11 3dmd h GLU 116 N 0.54 0.98 -0.02 1.92 4.39 -0.59 -2.64 114.58 119.17 3dmd h GLU 116 Ca 0.09 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 3dmd h GLU 116 Cb 0.67 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3dmd h GLU 116 CO 0.05 0.66 -0.04 0.82 -1.16 0.00 0.00 179.01 179.34 3dmd h ILE 117 N 1.01 1.42 -0.32 3.13 2.04 -1.06 -2.76 117.51 120.97 3dmd h ILE 117 Ca 0.27 -1.30 0.05 0.00 1.00 0.00 0.00 64.86 64.88 3dmd h ILE 117 Cb -0.11 2.24 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 3dmd h ILE 117 CO -0.06 0.35 0.06 0.03 0.00 0.00 0.00 178.15 178.53 3dmd h ARG 118 N -0.45 0.17 0.00 2.37 3.08 -1.07 -2.04 114.38 116.44 3dmd h ARG 118 Ca 0.00 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 3dmd h ARG 118 Cb 0.58 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3dmd h ARG 118 CO 0.01 0.12 -0.24 1.57 -1.07 0.00 0.00 179.97 180.35 3dmd h LYS 119 N 0.18 0.00 -7.08 0.04 2.10 -1.56 -3.45 116.57 106.79 3dmd h LYS 119 Ca 0.15 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 58.33 3dmd h LYS 119 Cb 0.16 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.51 3dmd h LYS 119 CO -0.20 0.24 0.38 0.00 -2.00 0.00 0.00 179.45 177.87 3dmd s ALA 120 N -3.84 2.90 -0.14 0.07 0.00 -0.77 -4.99 121.76 114.98 3dmd s ALA 120 Ca -0.01 0.55 -0.29 0.00 0.00 0.00 0.00 51.96 52.21 3dmd s ALA 120 Cb 0.12 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 3dmd s ALA 120 CO 0.64 -0.26 1.40 -2.00 0.00 0.00 0.00 175.76 175.54 3dmd s GLU 121 N -3.29 4.18 0.50 0.00 2.12 -1.26 -4.93 118.70 116.02 3dmd s GLU 121 Ca 0.66 1.80 -0.23 0.00 0.36 0.00 0.00 54.97 57.56 3dmd s GLU 121 Cb -0.15 -3.85 -0.06 0.00 0.26 0.00 0.00 34.13 30.33 3dmd s GLU 121 CO 0.20 -0.80 1.29 0.15 -0.54 0.00 0.00 175.26 175.55 3dmd s LYS 122 N 3.76 3.47 0.34 4.30 -0.14 -1.26 -4.27 119.74 125.94 3dmd s LYS 122 Ca 0.61 2.07 -0.18 0.00 -1.36 0.00 0.00 55.97 57.11 3dmd s LYS 122 Cb -0.25 -2.38 -0.10 0.00 -1.68 0.00 0.00 37.83 33.43 3dmd s LYS 122 CO 0.20 -0.88 0.82 -1.25 -0.76 0.00 0.00 175.35 173.49 3dmd s PRO 123 N -2.75 4.16 -0.24 -1.68 0.05 -1.26 -4.95 135.00 128.33 3dmd s PRO 123 Ca 0.67 0.89 -0.25 0.00 0.05 0.00 0.00 61.00 62.36 3dmd s PRO 123 Cb -0.36 -2.44 -0.01 0.00 0.05 0.00 0.00 34.50 31.74 3dmd s PRO 123 CO 0.44 0.14 0.83 -0.47 0.05 0.00 0.00 177.00 177.99 3dmd s TYR 124 N -1.96 3.32 -0.24 0.56 5.04 0.78 -4.92 117.35 119.93 3dmd s TYR 124 Ca 0.55 1.15 -0.09 0.00 -2.44 0.00 0.00 57.07 56.23 3dmd s TYR 124 Cb -0.11 -3.05 -0.04 0.00 0.35 0.00 0.00 41.96 39.10 3dmd s TYR 124 CO 0.17 -0.39 0.13 0.08 -1.34 0.00 0.00 175.55 174.20 3dmd s VAL 125 N 2.80 4.99 -0.17 3.14 1.01 -1.26 -1.19 120.40 129.72 3dmd s VAL 125 Ca 0.35 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.39 3dmd s VAL 125 Cb -0.15 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3dmd s VAL 125 CO 0.08 0.34 -0.15 -0.63 0.00 0.00 0.00 175.10 174.73 3dmd s ILE 126 N 1.26 2.57 -0.17 2.22 1.01 0.35 -0.54 121.20 127.90 3dmd s ILE 126 Ca 0.06 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 3dmd s ILE 126 Cb -0.14 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 3dmd s ILE 126 CO 0.05 0.51 0.03 -0.32 0.00 0.00 0.00 174.94 175.22 3dmd s MET 127 N 1.02 3.90 -0.14 2.79 1.75 -0.21 -1.02 119.30 127.39 3dmd s MET 127 Ca -0.01 -0.39 -0.06 0.00 -1.25 0.00 0.00 55.69 53.97 3dmd s MET 127 Cb -0.15 -3.13 -0.04 0.00 2.84 0.00 0.00 34.83 34.35 3dmd s MET 127 CO -0.04 0.27 0.08 -0.06 -0.65 0.00 0.00 175.02 174.63 3dmd s PHE 128 N 0.35 3.37 0.19 4.11 0.08 -1.16 -0.41 117.98 124.51 3dmd s PHE 128 Ca 0.01 0.29 0.09 0.00 0.12 0.00 0.00 56.93 57.44 3dmd s PHE 128 Cb -0.13 -1.98 -0.04 0.00 -0.57 0.00 0.00 43.02 40.30 3dmd s PHE 128 CO 0.01 0.44 -0.19 0.14 -0.10 0.00 0.00 175.22 175.53 3dmd s VAL 129 N -0.39 1.98 0.00 -0.44 -7.23 -0.29 -4.31 120.40 109.71 3dmd s VAL 129 Ca 0.10 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 3dmd s VAL 129 Cb -0.12 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.83 3dmd s VAL 129 CO 0.02 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.06 3dmd n GLY 130 N 0.03 3.60 3.89 2.32 0.00 -1.26 -0.72 105.19 113.04 3dmd n GLY 130 Ca -0.11 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 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 3.58 0.65 1.61 0.08 -1.26 -4.21 117.98 116.43 3dmd s PHE 131 Ca 0.00 1.08 -0.17 0.00 0.12 0.00 0.00 56.93 57.96 3dmd s PHE 131 Cb 0.00 -2.59 -0.00 0.00 -0.57 0.00 0.00 43.02 39.86 3dmd s PHE 131 CO 0.00 -0.57 1.18 -0.80 -0.10 0.00 0.00 175.22 174.93 3dmd s ASN 132 N -4.17 4.87 0.00 1.36 0.01 -0.70 -3.14 114.94 113.17 3dmd s ASN 132 Ca 0.52 2.26 0.00 0.00 -0.71 0.00 0.00 52.86 54.93 3dmd s ASN 132 Cb -0.11 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.97 3dmd s ASN 132 CO 0.50 -1.80 0.00 0.61 -1.51 0.00 0.00 177.10 174.90 3dmd n GLY 133 N 0.17 0.59 1.13 0.66 0.00 -1.26 -4.88 105.19 101.60 3dmd n GLY 133 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 3dmd n GLY 133 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dmd n SER 134 N 0.00 3.39 -0.03 1.61 7.64 -1.19 -4.81 113.62 120.24 3dmd n SER 134 Ca 0.00 -2.00 -0.00 0.00 1.01 0.00 0.00 58.87 57.88 3dmd n SER 134 Cb 0.00 -0.20 -0.00 0.00 -1.01 0.00 0.00 64.21 63.00 3dmd n SER 134 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dmd n GLY 135 N 1.48 0.40 0.20 0.23 0.00 -1.26 -4.11 105.19 102.13 3dmd n GLY 135 Ca 0.18 -1.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 0.15 0.07 1.61 3.64 -1.92 -0.33 116.57 119.79 3dmd h LYS 136 Ca -0.01 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3dmd h LYS 136 Cb 0.22 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3dmd h LYS 136 CO 0.01 0.10 -0.03 1.15 -2.27 0.00 0.00 179.45 178.41 3dmd h THR 137 N 0.15 0.98 -0.50 1.00 2.02 -1.96 -0.80 112.91 113.81 3dmd h THR 137 Ca 0.26 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 3dmd h THR 137 Cb 0.38 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 3dmd h THR 137 CO -0.40 0.04 0.24 0.74 0.37 0.00 0.00 175.52 176.52 3dmd h THR 138 N -0.17 1.19 -0.78 3.16 2.02 -1.96 -2.56 112.91 113.81 3dmd h THR 138 Ca -0.01 -0.55 0.13 0.00 0.77 0.00 0.00 66.41 66.75 3dmd h THR 138 Cb 0.14 0.63 -0.09 0.00 -1.74 0.00 0.00 68.15 67.09 3dmd h THR 138 CO 0.02 0.22 0.38 0.74 0.37 0.00 0.00 175.52 177.24 3dmd h THR 139 N 0.67 0.74 -0.60 3.16 2.02 -0.71 0.11 112.91 118.29 3dmd h THR 139 Ca 0.17 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 3dmd h THR 139 Cb 0.12 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 3dmd h THR 139 CO -0.02 0.10 0.07 0.40 0.37 0.00 0.00 175.52 176.44 3dmd h ILE 140 N 0.57 1.26 -0.10 3.11 2.04 -0.77 0.12 117.51 123.74 3dmd h ILE 140 Ca 0.42 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3dmd h ILE 140 Cb 0.56 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3dmd h ILE 140 CO -0.35 0.38 0.05 0.00 0.00 0.00 0.00 178.15 178.24 3dmd h ALA 141 N 1.13 0.12 -0.40 1.87 0.00 -0.91 -1.39 119.26 119.67 3dmd h ALA 141 Ca 0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3dmd h ALA 141 Cb 0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3dmd h ALA 141 CO 0.02 -0.40 0.24 0.87 0.00 0.00 0.00 179.25 179.97 3dmd h LYS 142 N 0.11 0.54 -0.60 0.00 1.57 -0.48 -1.98 116.57 115.74 3dmd h LYS 142 Ca 0.04 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3dmd h LYS 142 Cb -0.00 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 3dmd h LYS 142 CO -0.02 0.40 0.23 1.25 -0.57 0.00 0.00 179.45 180.74 3dmd h LEU 143 N 0.52 0.79 0.09 2.94 5.85 -0.72 -1.37 115.31 123.42 3dmd h LEU 143 Ca 0.14 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3dmd h LEU 143 Cb 0.00 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3dmd h LEU 143 CO -0.03 0.72 -0.18 0.00 -0.34 0.00 0.00 178.44 178.61 3dmd h ALA 144 N 1.40 -0.29 -0.18 1.25 0.00 -0.79 -0.89 119.26 119.76 3dmd h ALA 144 Ca 0.20 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3dmd h ALA 144 Cb 0.18 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 3dmd h ALA 144 CO -0.02 -0.70 -0.29 -0.97 0.00 0.00 0.00 179.25 177.27 3dmd h ASN 145 N -0.34 -0.92 -0.60 0.00 -1.24 -0.88 -1.04 115.58 110.57 3dmd h ASN 145 Ca 0.03 0.15 0.11 0.00 0.71 0.00 0.00 56.30 57.30 3dmd h ASN 145 Cb 0.36 0.41 -0.09 0.00 0.73 0.00 0.00 38.32 39.73 3dmd h ASN 145 CO -0.10 -0.33 0.11 -0.25 -1.29 0.00 0.00 177.43 175.57 3dmd h TRP 146 N -0.34 0.18 -0.67 0.67 7.01 -1.02 0.00 115.95 121.79 3dmd h TRP 146 Ca 0.11 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 3dmd h TRP 146 Cb 0.51 0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.56 3dmd h TRP 146 CO -0.41 -0.05 0.37 -0.07 -2.79 0.00 0.00 178.44 175.49 3dmd h LEU 147 N 0.24 0.83 -0.16 0.65 3.38 -0.44 -2.52 115.31 117.29 3dmd h LEU 147 Ca 0.32 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3dmd h LEU 147 Cb 0.48 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3dmd h LEU 147 CO -0.42 0.69 0.09 0.11 0.09 0.00 0.00 178.44 179.00 3dmd h LYS 148 N 0.91 0.23 0.00 1.13 1.57 -0.16 -1.68 116.57 118.57 3dmd h LYS 148 Ca 0.23 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3dmd h LYS 148 Cb 0.04 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3dmd h LYS 148 CO -0.04 0.25 0.00 0.09 -0.57 0.00 0.00 179.45 179.18 3dmd n ASN 149 N -4.91 0.21 -0.93 0.86 3.02 -0.11 0.14 115.26 113.53 3dmd n ASN 149 Ca -0.04 0.60 0.07 0.00 -0.03 0.00 0.00 54.58 55.18 3dmd n ASN 149 Cb 0.08 -0.63 0.23 0.00 -0.61 0.00 0.00 39.78 38.86 3dmd n ASN 149 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3dmd n HIS 150 N -1.79 0.85 -0.75 3.10 8.25 -0.77 -4.98 115.22 119.13 3dmd n HIS 150 Ca -0.01 -0.65 0.00 0.00 -0.26 0.00 0.00 57.72 56.81 3dmd n HIS 150 Cb 0.01 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 30.96 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 0.32 0.59 3.80 -1.41 0.00 0.36 -5.05 105.19 103.80 3dmd n GLY 151 Ca 0.18 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 3.39 0.32 1.61 0.08 -0.71 -5.00 117.98 115.67 3dmd s PHE 152 Ca 0.00 0.33 -0.20 0.00 0.12 0.00 0.00 56.93 57.18 3dmd s PHE 152 Cb 0.00 -1.83 -0.09 0.00 -0.57 0.00 0.00 43.02 40.53 3dmd s PHE 152 CO 0.00 0.60 0.82 -1.54 -0.10 0.00 0.00 175.22 175.00 3dmd s SER 153 N -1.32 7.00 -0.00 1.36 1.04 -1.26 -3.75 113.70 116.77 3dmd s SER 153 Ca 0.18 1.52 0.00 0.00 0.48 0.00 0.00 55.95 58.13 3dmd s SER 153 Cb -0.12 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.54 3dmd s SER 153 CO 0.08 -0.14 -0.00 -0.69 0.98 0.00 0.00 173.24 173.47 3dmd s VAL 154 N -1.82 0.05 0.04 5.02 1.01 -1.26 -1.55 120.40 121.89 3dmd s VAL 154 Ca 0.52 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.56 3dmd s VAL 154 Cb -0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 3dmd s VAL 154 CO 0.19 0.03 -0.19 0.54 0.00 0.00 0.00 175.10 175.67 3dmd s VAL 155 N 0.14 1.50 -0.09 2.92 0.11 -0.10 -4.11 120.40 120.78 3dmd s VAL 155 Ca -0.01 -1.15 0.02 0.00 -2.93 0.00 0.00 61.98 57.91 3dmd s VAL 155 Cb -0.02 -1.32 -0.02 0.00 -1.53 0.00 0.00 36.38 33.49 3dmd s VAL 155 CO -0.00 0.14 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.12 3dmd s ILE 156 N -0.82 2.89 -0.23 7.04 1.01 -0.54 -1.41 121.20 129.13 3dmd s ILE 156 Ca 0.06 -0.75 -0.13 0.00 0.00 0.00 0.00 60.65 59.82 3dmd s ILE 156 Cb -0.09 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 3dmd s ILE 156 CO 0.02 0.56 0.28 0.00 0.00 0.00 0.00 174.94 175.80 3dmd s ALA 157 N -0.16 3.58 -1.27 9.38 0.00 0.54 -0.61 121.76 133.21 3dmd s ALA 157 Ca -0.01 -0.76 -0.13 0.00 0.00 0.00 0.00 51.96 51.06 3dmd s ALA 157 Cb -0.13 -2.51 0.14 0.00 0.00 0.00 0.00 23.12 20.61 3dmd s ALA 157 CO 0.03 -0.34 1.71 0.00 0.00 0.00 0.00 175.76 177.16 3dmd n ALA 158 N 4.59 4.50 0.66 0.00 0.00 0.07 -1.30 120.51 129.04 3dmd n ALA 158 Ca -0.11 -4.18 0.09 0.00 0.00 0.00 0.00 53.44 49.24 3dmd n ALA 158 Cb 0.51 -3.15 0.26 0.00 0.00 0.00 0.00 19.45 17.07 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 5.46 2.48 -3.64 0.00 7.64 -0.28 -4.30 113.62 120.99 3dmd n SER 159 Ca 0.41 -1.91 -0.41 0.00 1.01 0.00 0.00 58.87 57.97 3dmd n SER 159 Cb 0.41 -0.25 -0.00 0.00 -1.01 0.00 0.00 64.21 63.36 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 0.85 6.68 0.09 6.43 2.03 -0.79 -3.92 116.55 127.92 3dmd n ASP 160 Ca 0.17 -3.07 0.12 0.00 0.52 0.00 0.00 54.79 52.53 3dmd n ASP 160 Cb 0.42 -1.44 0.45 0.00 -0.72 0.00 0.00 41.12 39.84 3dmd n ASP 160 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3dmd n THR 161 N 2.70 0.71 0.72 5.18 -2.24 -1.26 -2.38 114.28 117.71 3dmd n THR 161 Ca 0.54 0.07 0.11 0.00 -2.27 0.00 0.00 64.05 62.50 3dmd n THR 161 Cb 0.30 -0.92 0.13 0.00 -2.10 0.00 0.00 70.33 67.74 3dmd n THR 161 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3dmd n PHE 162 N -2.07 0.16 -3.73 4.78 3.72 -1.26 -1.37 117.46 117.69 3dmd n PHE 162 Ca 0.04 -0.09 -0.35 0.00 -0.05 0.00 0.00 57.45 57.01 3dmd n PHE 162 Cb 0.29 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.74 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 -1.74 2.83 0.45 -1.08 0.52 -1.00 -4.91 118.95 114.02 3dmd s ARG 163 Ca 0.30 -3.01 0.11 0.00 -0.52 0.00 0.00 55.73 52.62 3dmd s ARG 163 Cb 0.20 -3.76 1.02 0.00 0.52 0.00 0.00 34.95 32.93 3dmd s ARG 163 CO 0.29 -1.23 2.07 0.00 0.02 0.00 0.00 175.30 176.45 3dmd h ALA 164 N 6.28 1.87 0.29 2.13 0.00 -1.84 -1.79 119.26 126.20 3dmd h ALA 164 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3dmd h ALA 164 Cb 0.85 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3dmd h ALA 164 CO 0.77 0.08 -0.14 0.78 0.00 0.00 0.00 179.25 180.75 3dmd h GLY 165 N 0.36 -0.41 0.85 0.00 0.00 -1.96 -1.55 103.07 100.36 3dmd h GLY 165 Ca 0.14 0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.67 3dmd h GLY 165 CO -0.03 -0.15 0.64 0.00 0.00 0.00 0.00 176.54 177.00 3dmd h ALA 166 N 0.10 1.40 -0.57 3.60 0.00 -1.82 -1.57 119.26 120.40 3dmd h ALA 166 Ca -0.04 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3dmd h ALA 166 Cb 0.41 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3dmd h ALA 166 CO 0.07 0.48 -0.05 0.82 0.00 0.00 0.00 179.25 180.57 3dmd h ILE 167 N 1.19 1.27 0.16 0.00 2.04 -1.20 -0.47 117.51 120.49 3dmd h ILE 167 Ca 0.40 -1.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 3dmd h ILE 167 Cb 0.08 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3dmd h ILE 167 CO -0.14 0.43 -0.11 -0.33 0.00 0.00 0.00 178.15 178.00 3dmd h GLU 168 N 0.92 -0.26 -0.89 2.37 5.08 -0.76 -1.04 114.58 120.01 3dmd h GLU 168 Ca 0.15 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.70 3dmd h GLU 168 Cb 0.62 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.82 3dmd h GLU 168 CO 0.04 -0.17 0.46 0.37 -1.00 0.00 0.00 179.01 178.71 3dmd h GLN 169 N -0.27 0.58 -0.46 2.33 4.15 -1.01 -1.74 115.11 118.69 3dmd h GLN 169 Ca -0.01 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.29 3dmd h GLN 169 Cb 0.23 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 3dmd h GLN 169 CO 0.00 0.39 -0.05 1.25 -1.93 0.00 0.00 178.83 178.49 3dmd h LEU 170 N 0.60 0.84 -0.56 -2.39 5.85 -0.60 -2.63 115.31 116.42 3dmd h LEU 170 Ca 0.50 -0.33 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 3dmd h LEU 170 Cb 0.78 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3dmd h LEU 170 CO -0.40 0.98 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.26 3dmd h GLU 171 N 0.69 1.04 0.06 1.25 5.08 -0.48 -1.06 114.58 121.17 3dmd h GLU 171 Ca 0.12 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3dmd h GLU 171 Cb 0.58 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3dmd h GLU 171 CO 0.03 1.07 -0.28 0.93 -1.00 0.00 0.00 179.01 179.76 3dmd h GLU 172 N 0.92 -0.38 -0.23 2.33 5.08 -1.22 0.25 114.58 121.33 3dmd h GLU 172 Ca 0.15 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3dmd h GLU 172 Cb 0.65 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3dmd h GLU 172 CO 0.05 -0.26 0.15 0.45 -1.00 0.00 0.00 179.01 178.40 3dmd h HIS 173 N -0.40 0.22 -0.22 4.33 3.86 -1.43 -0.11 115.15 121.40 3dmd h HIS 173 Ca -0.00 0.01 -0.20 0.00 -1.16 0.00 0.00 60.37 59.01 3dmd h HIS 173 Cb 0.40 -0.07 0.01 0.00 1.06 0.00 0.00 27.41 28.80 3dmd h HIS 173 CO -0.38 0.13 -0.66 0.00 0.86 0.00 0.00 177.93 177.88 3dmd h ALA 174 N 1.87 0.37 -0.35 2.45 0.00 -0.74 -2.56 119.26 120.29 3dmd h ALA 174 Ca 0.09 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 3dmd h ALA 174 Cb 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3dmd h ALA 174 CO -0.02 0.66 -0.17 -0.22 0.00 0.00 0.00 179.25 179.51 3dmd h LYS 175 N 0.58 0.64 -0.51 0.00 3.64 0.49 0.28 116.57 121.70 3dmd h LYS 175 Ca -0.02 -0.22 0.02 0.00 -1.27 0.00 0.00 60.65 59.16 3dmd h LYS 175 Cb 1.28 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 3dmd h LYS 175 CO 0.14 0.78 0.34 -0.09 -2.27 0.00 0.00 179.45 178.35 3dmd h ARG 176 N 0.58 0.59 -0.26 1.90 2.43 -0.88 -2.55 114.38 116.18 3dmd h ARG 176 Ca 0.09 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3dmd h ARG 176 Cb 0.62 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3dmd h ARG 176 CO 0.04 0.39 0.00 0.44 -1.51 0.00 0.00 179.97 179.33 3dmd n ILE 177 N -4.47 1.69 -3.22 1.20 -5.35 -0.98 -5.00 119.36 103.23 3dmd n ILE 177 Ca 0.05 -1.51 -0.15 0.00 -0.27 0.00 0.00 62.75 60.87 3dmd n ILE 177 Cb 0.11 0.08 0.07 0.00 -1.74 0.00 0.00 39.64 38.17 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 -0.16 -0.20 3.29 3.28 0.00 -0.38 -4.98 105.19 106.03 3dmd n GLY 178 Ca 0.16 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3dmd n GLY 178 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dmd s VAL 179 N -3.27 1.94 0.21 1.61 1.01 0.85 -4.98 120.40 117.78 3dmd s VAL 179 Ca 0.18 -1.07 -0.26 0.00 0.00 0.00 0.00 61.98 60.83 3dmd s VAL 179 Cb -0.08 -1.62 -0.09 0.00 0.00 0.00 0.00 36.38 34.60 3dmd s VAL 179 CO 0.57 0.53 0.83 -0.75 0.00 0.00 0.00 175.10 176.29 3dmd s LYS 180 N -0.62 4.60 -0.26 2.72 2.20 -1.26 -4.13 119.74 122.99 3dmd s LYS 180 Ca 0.10 1.22 -0.05 0.00 -0.36 0.00 0.00 55.97 56.88 3dmd s LYS 180 Cb -0.09 -3.15 -0.00 0.00 -1.51 0.00 0.00 37.83 33.08 3dmd s LYS 180 CO -0.01 0.50 0.02 0.08 -0.36 0.00 0.00 175.35 175.57 3dmd s VAL 181 N -1.27 3.66 -0.17 4.02 1.01 -1.26 -1.47 120.40 124.92 3dmd s VAL 181 Ca 0.40 -0.59 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 3dmd s VAL 181 Cb -0.22 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 3dmd s VAL 181 CO 0.27 0.25 0.69 -0.63 0.00 0.00 0.00 175.10 175.68 3dmd s ILE 182 N 1.49 4.99 0.04 2.22 -1.09 0.22 -4.95 121.20 124.12 3dmd s ILE 182 Ca 0.04 1.33 -0.05 0.00 -2.23 0.00 0.00 60.65 59.73 3dmd s ILE 182 Cb -0.16 -4.00 -0.01 0.00 -1.58 0.00 0.00 42.46 36.71 3dmd s ILE 182 CO -0.00 0.12 0.09 -1.59 -1.23 0.00 0.00 174.94 172.33 3dmd s LYS 183 N 1.76 0.59 0.00 2.79 -2.85 -1.26 -0.75 119.74 120.01 3dmd s LYS 183 Ca 0.32 -0.75 0.00 0.00 -1.00 0.00 0.00 55.97 54.54 3dmd s LYS 183 Cb -0.16 0.23 0.00 0.00 -2.06 0.00 0.00 37.83 35.84 3dmd s LYS 183 CO 0.12 -0.15 0.00 0.72 0.10 0.00 0.00 175.35 176.14 3dmd n HIS 184 N 0.77 -1.09 -0.84 1.78 8.25 -1.26 -5.06 115.22 117.76 3dmd n HIS 184 Ca -0.19 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 56.98 3dmd n HIS 184 Cb 0.58 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.90 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 -0.90 1.94 0.30 0.41 0.01 -1.26 -4.89 113.70 109.30 3dmd s SER 185 Ca 0.00 1.45 -0.30 0.00 1.31 0.00 0.00 55.95 58.41 3dmd s SER 185 Cb 0.00 -2.16 -0.12 0.00 0.21 0.00 0.00 66.02 63.95 3dmd s SER 185 CO 0.00 -3.60 1.51 0.00 0.41 0.00 0.00 173.24 171.57 3dmd n TYR 186 N -4.51 2.66 -1.12 2.43 9.36 -1.26 -2.31 117.16 122.40 3dmd n TYR 186 Ca 0.05 0.35 -0.04 0.00 3.32 0.00 0.00 57.90 61.57 3dmd n TYR 186 Cb 0.55 -2.54 -0.02 0.00 -0.63 0.00 0.00 39.34 36.70 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 1.83 0.69 3.62 2.98 0.00 -0.47 -5.01 105.19 108.83 3dmd n GLY 187 Ca 0.08 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.06 0.84 -0.14 4.61 0.00 -0.98 -4.93 121.76 119.10 3dmd s ALA 188 Ca 0.00 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 51.93 3dmd s ALA 188 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3dmd s ALA 188 CO 0.00 -3.05 1.52 0.34 0.00 0.00 0.00 175.76 174.57 3dmd s ASP 189 N -2.73 6.66 0.26 0.00 2.15 -1.26 -4.78 116.67 116.97 3dmd s ASP 189 Ca 0.67 1.87 -0.03 0.00 0.43 0.00 0.00 52.55 55.48 3dmd s ASP 189 Cb -0.23 -2.53 0.38 0.00 -0.30 0.00 0.00 42.92 40.24 3dmd s ASP 189 CO 0.60 -0.98 1.88 -0.65 -0.17 0.00 0.00 175.17 175.85 3dmd h PRO 190 N 9.49 1.10 -0.48 4.34 0.11 -1.92 -2.05 132.00 142.59 3dmd h PRO 190 Ca -0.34 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 65.60 3dmd h PRO 190 Cb 1.15 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 3dmd h PRO 190 CO 0.98 0.73 -0.14 0.00 -0.21 0.00 0.00 178.00 179.35 3dmd h ALA 191 N 1.44 0.85 -0.49 -0.75 0.00 -1.92 -1.81 119.26 116.58 3dmd h ALA 191 Ca 0.42 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3dmd h ALA 191 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3dmd h ALA 191 CO -0.17 0.64 0.26 0.00 0.00 0.00 0.00 179.25 179.99 3dmd h ALA 192 N 1.03 0.63 -0.42 0.00 0.00 -1.80 0.10 119.26 118.81 3dmd h ALA 192 Ca 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3dmd h ALA 192 Cb 0.67 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3dmd h ALA 192 CO 0.05 0.16 0.20 0.28 0.00 0.00 0.00 179.25 179.94 3dmd h VAL 193 N 0.66 1.18 -0.44 0.00 2.07 -1.18 -0.19 116.25 118.34 3dmd h VAL 193 Ca 0.17 -0.53 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 3dmd h VAL 193 Cb 0.06 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3dmd h VAL 193 CO -0.03 0.20 -0.11 0.00 0.02 0.00 0.00 177.57 177.65 3dmd h ALA 194 N 1.04 0.61 -0.78 1.67 0.00 -1.13 -0.63 119.26 120.05 3dmd h ALA 194 Ca 0.14 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3dmd h ALA 194 Cb 0.13 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3dmd h ALA 194 CO -0.02 0.51 0.52 -0.92 0.00 0.00 0.00 179.25 179.33 3dmd h TYR 195 N 0.69 0.98 -0.04 0.00 3.20 -0.67 -1.24 116.97 119.89 3dmd h TYR 195 Ca 0.11 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.03 3dmd h TYR 195 Cb 0.65 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 3dmd h TYR 195 CO 0.05 0.61 -0.12 0.22 -1.64 0.00 0.00 178.16 177.28 3dmd h ASP 196 N 1.05 -0.36 -0.95 -2.11 3.58 -0.66 -1.26 116.42 115.70 3dmd h ASP 196 Ca 0.29 0.06 0.16 0.00 0.42 0.00 0.00 57.03 57.96 3dmd h ASP 196 Cb -0.11 0.16 -0.10 0.00 1.72 0.00 0.00 39.33 41.01 3dmd h ASP 196 CO -0.07 -0.17 0.55 0.00 -2.88 0.00 0.00 179.24 176.67 3dmd h ALA 197 N 0.80 1.49 -0.37 -0.78 0.00 -0.62 -1.83 119.26 117.96 3dmd h ALA 197 Ca 0.06 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3dmd h ALA 197 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3dmd h ALA 197 CO -0.15 -0.01 0.04 0.82 0.00 0.00 0.00 179.25 179.95 3dmd h ILE 198 N 0.76 1.25 -0.89 0.00 2.04 -0.46 -1.60 117.51 118.61 3dmd h ILE 198 Ca 0.52 -0.90 0.02 0.00 1.00 0.00 0.00 64.86 65.49 3dmd h ILE 198 Cb 0.73 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 3dmd h ILE 198 CO -0.35 0.30 0.59 1.56 0.00 0.00 0.00 178.15 180.25 3dmd h GLN 199 N 0.45 1.14 -0.20 2.37 1.08 -0.62 -1.89 115.11 117.44 3dmd h GLN 199 Ca 0.11 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 3dmd h GLN 199 Cb 0.40 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 3dmd h GLN 199 CO 0.01 0.75 0.09 1.25 -0.95 0.00 0.00 178.83 179.99 3dmd h HIS 200 N 1.17 0.29 -0.86 2.96 2.76 -1.11 -1.36 115.15 119.01 3dmd h HIS 200 Ca 0.33 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.51 3dmd h HIS 200 Cb -0.09 -0.09 -0.05 0.00 1.55 0.00 0.00 27.41 28.73 3dmd h HIS 200 CO -0.00 0.32 0.57 0.00 -1.30 0.00 0.00 177.93 177.51 3dmd h ALA 201 N 0.95 1.44 0.24 5.26 0.00 -0.95 -0.45 119.26 125.74 3dmd h ALA 201 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3dmd h ALA 201 Cb 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3dmd h ALA 201 CO -0.01 0.48 -0.11 0.87 0.00 0.00 0.00 179.25 180.48 3dmd h LYS 202 N 1.10 -0.31 -0.90 0.00 1.57 -1.14 0.18 116.57 117.06 3dmd h LYS 202 Ca 0.33 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.28 3dmd h LYS 202 Cb -0.02 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.27 3dmd h LYS 202 CO -0.09 -0.02 0.51 0.00 -0.57 0.00 0.00 179.45 179.28 3dmd h ALA 203 N 0.08 1.38 -0.50 3.86 0.00 -0.94 -2.66 119.26 120.47 3dmd h ALA 203 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dmd h ALA 203 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3dmd h ALA 203 CO 0.05 -0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.84 3dmd n ARG 204 N -4.79 2.60 -3.52 0.00 5.12 -0.21 -4.97 116.66 110.88 3dmd n ARG 204 Ca 0.18 -2.31 -0.22 0.00 -1.93 0.00 0.00 57.85 53.57 3dmd n ARG 204 Cb 0.43 -1.45 0.08 0.00 -1.16 0.00 0.00 32.46 30.36 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 1.21 -0.46 3.75 -0.13 0.00 -0.32 -5.00 105.19 104.24 3dmd n GLY 205 Ca 0.18 0.20 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.31 4.00 0.01 -0.61 -1.09 0.48 -4.98 121.20 115.69 3dmd s ILE 206 Ca 0.46 1.95 -0.24 0.00 -2.23 0.00 0.00 60.65 60.60 3dmd s ILE 206 Cb -0.20 -4.24 -0.18 0.00 -1.58 0.00 0.00 42.46 36.26 3dmd s ILE 206 CO 0.70 0.44 1.32 0.44 -1.23 0.00 0.00 174.94 176.61 3dmd h ASP 207 N 4.31 0.15 -3.91 3.58 3.32 -1.83 -3.38 116.42 118.65 3dmd h ASP 207 Ca -0.45 -0.46 -0.47 0.00 0.02 0.00 0.00 57.03 55.67 3dmd h ASP 207 Cb 1.20 -0.04 -0.31 0.00 0.22 0.00 0.00 39.33 40.41 3dmd h ASP 207 CO 0.68 0.58 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.29 3dmd s VAL 208 N -4.37 1.00 -0.15 -1.35 1.01 -0.60 -0.15 120.40 115.78 3dmd s VAL 208 Ca -0.15 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 3dmd s VAL 208 Cb 0.03 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 3dmd s VAL 208 CO 0.70 0.30 -0.14 -0.69 0.00 0.00 0.00 175.10 175.27 3dmd s VAL 209 N 0.05 2.79 -0.20 2.92 1.01 -0.33 -0.92 120.40 125.71 3dmd s VAL 209 Ca -0.02 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 3dmd s VAL 209 Cb -0.09 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 3dmd s VAL 209 CO 0.01 0.51 -0.02 -0.76 0.00 0.00 0.00 175.10 174.84 3dmd s LEU 210 N 0.76 3.12 -0.44 3.92 1.43 -0.50 -0.50 118.68 126.47 3dmd s LEU 210 Ca -0.06 -0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 52.63 3dmd s LEU 210 Cb -0.15 -1.79 0.05 0.00 0.03 0.00 0.00 46.19 44.33 3dmd s LEU 210 CO 0.01 0.05 0.33 -0.63 0.23 0.00 0.00 176.35 176.33 3dmd s ILE 211 N 1.10 5.09 -0.19 -0.59 1.01 -0.19 -0.34 121.20 127.11 3dmd s ILE 211 Ca 0.02 -0.92 -0.29 0.00 0.00 0.00 0.00 60.65 59.45 3dmd s ILE 211 Cb -0.14 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 3dmd s ILE 211 CO 0.01 -0.44 1.22 -0.62 0.00 0.00 0.00 174.94 175.10 3dmd s ASP 212 N 2.12 6.96 0.29 3.58 2.15 -0.42 -3.00 116.67 128.36 3dmd s ASP 212 Ca 0.04 1.61 0.09 0.00 0.43 0.00 0.00 52.55 54.71 3dmd s ASP 212 Cb -0.22 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.82 3dmd s ASP 212 CO 0.07 -0.76 0.07 0.42 -0.17 0.00 0.00 175.17 174.81 3dmd s THR 213 N 3.48 3.47 0.73 1.71 -4.23 -1.26 -1.12 115.64 118.42 3dmd s THR 213 Ca 0.53 -1.77 -0.14 0.00 -1.18 0.00 0.00 61.69 59.12 3dmd s THR 213 Cb -0.20 -2.97 0.04 0.00 1.34 0.00 0.00 72.50 70.71 3dmd s THR 213 CO 0.13 -0.31 1.18 0.00 -0.54 0.00 0.00 174.62 175.08 3dmd s ALA 214 N -2.33 2.14 -0.06 3.99 0.00 -1.25 -4.58 121.76 119.66 3dmd s ALA 214 Ca 0.33 0.77 0.09 0.00 0.00 0.00 0.00 51.96 53.16 3dmd s ALA 214 Cb -0.05 -3.43 0.14 0.00 0.00 0.00 0.00 23.12 19.77 3dmd s ALA 214 CO 0.21 -1.83 1.04 0.41 0.00 0.00 0.00 175.76 175.59 3dmd n GLY 215 N 0.14 2.64 3.41 0.00 0.00 -1.26 -4.68 105.19 105.44 3dmd n GLY 215 Ca 0.13 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.50 0.97 0.21 1.61 1.70 -1.26 -1.72 118.95 118.97 3dmd s ARG 216 Ca 0.16 -0.06 -0.30 0.00 -0.47 0.00 0.00 55.73 55.06 3dmd s ARG 216 Cb 0.14 0.45 -0.10 0.00 -0.57 0.00 0.00 34.95 34.87 3dmd s ARG 216 CO 0.01 -0.32 1.43 -1.12 -1.08 0.00 0.00 175.30 174.22 3dmd s SER 217 N -1.58 6.71 0.78 -2.89 0.01 -1.26 -4.72 113.70 110.76 3dmd s SER 217 Ca -0.09 2.57 -0.04 0.00 1.31 0.00 0.00 55.95 59.71 3dmd s SER 217 Cb -0.01 -2.61 0.08 0.00 0.21 0.00 0.00 66.02 63.68 3dmd s SER 217 CO 0.04 -0.68 0.49 -0.62 0.41 0.00 0.00 173.24 172.87 3dmd n GLU 218 N 2.79 -0.14 0.00 12.44 -0.58 -1.11 -4.94 120.64 129.09 3dmd n GLU 218 Ca 0.08 -0.97 0.06 0.00 -0.42 0.00 0.00 57.16 55.91 3dmd n GLU 218 Cb 0.41 -0.43 0.28 0.00 -0.57 0.00 0.00 31.44 31.12 3dmd n GLU 218 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 3dmd n THR 219 N -2.40 0.99 0.09 2.62 5.66 -1.26 -4.17 114.28 115.81 3dmd n THR 219 Ca 0.07 0.25 -0.21 0.00 -3.05 0.00 0.00 64.05 61.11 3dmd n THR 219 Cb 0.24 -1.04 -0.15 0.00 -1.55 0.00 0.00 70.33 67.83 3dmd n THR 219 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3dmd h ASN 220 N 0.00 0.58 0.00 1.09 7.08 -2.02 -3.48 115.58 118.83 3dmd h ASN 220 Ca 0.00 -0.75 0.00 0.00 -3.08 0.00 0.00 56.30 52.47 3dmd h ASN 220 Cb 0.17 -0.19 0.00 0.00 -2.08 0.00 0.00 38.32 36.22 3dmd h ASN 220 CO 0.00 1.61 -0.04 -2.11 -2.08 0.00 0.00 177.43 174.82 3dmd n ARG 221 N -3.57 0.00 -1.80 4.14 1.85 -1.26 -5.17 116.66 110.85 3dmd n ARG 221 Ca -0.18 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.24 3dmd n ARG 221 Cb 1.07 -0.39 -0.03 0.00 -1.05 0.00 0.00 32.46 32.06 3dmd n ARG 221 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 3dmd s ASN 222 N -3.52 6.19 0.19 2.89 2.47 -1.26 -2.76 114.94 119.13 3dmd s ASN 222 Ca 0.00 2.17 -0.23 0.00 0.42 0.00 0.00 52.86 55.22 3dmd s ASN 222 Cb 0.00 -2.53 0.10 0.00 -1.45 0.00 0.00 41.25 37.37 3dmd s ASN 222 CO 0.00 -1.33 1.57 0.25 -3.72 0.00 0.00 177.10 173.87 3dmd h LEU 223 N 12.02 -1.43 -1.25 3.21 5.85 -1.93 -0.26 115.31 131.52 3dmd h LEU 223 Ca -0.42 0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.62 3dmd h LEU 223 Cb 1.21 0.68 -0.05 0.00 0.37 0.00 0.00 40.66 42.87 3dmd h LEU 223 CO 0.96 -0.31 0.54 0.24 -0.34 0.00 0.00 178.44 179.53 3dmd h MET 224 N -0.15 0.87 -0.25 1.25 2.86 -1.97 -0.10 114.93 117.43 3dmd h MET 224 Ca 0.23 -0.05 -0.16 0.00 -2.06 0.00 0.00 59.70 57.65 3dmd h MET 224 Cb 0.56 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 3dmd h MET 224 CO -0.76 0.58 -0.49 -0.44 1.06 0.00 0.00 176.91 176.85 3dmd h ASP 225 N 0.90 0.77 -0.75 1.22 3.32 -1.50 -1.33 116.42 119.05 3dmd h ASP 225 Ca 0.36 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 3dmd h ASP 225 Cb 0.24 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 3dmd h ASP 225 CO -0.13 1.13 0.36 -0.08 -1.72 0.00 0.00 179.24 178.80 3dmd h GLU 226 N 0.55 1.10 -0.35 3.56 4.57 -0.04 -0.95 114.58 123.02 3dmd h GLU 226 Ca 0.02 -0.16 -0.15 0.00 -1.18 0.00 0.00 59.36 57.89 3dmd h GLU 226 Cb 1.05 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 3dmd h GLU 226 CO 0.10 0.85 -0.39 0.52 -1.18 0.00 0.00 179.01 178.91 3dmd h MET 227 N 1.09 0.85 -0.44 1.92 2.86 -0.74 -1.63 114.93 118.84 3dmd h MET 227 Ca 0.26 -0.45 0.02 0.00 -2.06 0.00 0.00 59.70 57.48 3dmd h MET 227 Cb 0.12 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3dmd h MET 227 CO -0.03 1.09 0.26 0.87 1.06 0.00 0.00 176.91 180.15 3dmd h LYS 228 N 0.70 0.50 -0.74 1.72 1.57 -0.88 -1.16 116.57 118.28 3dmd h LYS 228 Ca 0.06 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3dmd h LYS 228 Cb 0.97 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 3dmd h LYS 228 CO 0.09 0.33 0.37 -0.22 -0.57 0.00 0.00 179.45 179.45 3dmd h LYS 229 N 0.51 1.06 -0.50 3.15 3.64 -0.93 -0.66 116.57 122.84 3dmd h LYS 229 Ca 0.18 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3dmd h LYS 229 Cb 0.02 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 3dmd h LYS 229 CO -0.09 0.82 0.11 0.82 -2.27 0.00 0.00 179.45 178.84 3dmd h ILE 230 N 1.03 1.24 -0.62 2.00 2.04 -0.94 -1.67 117.51 120.60 3dmd h ILE 230 Ca 0.25 -0.87 -0.09 0.00 1.00 0.00 0.00 64.86 65.16 3dmd h ILE 230 Cb 0.10 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3dmd h ILE 230 CO -0.03 0.31 0.05 0.00 0.00 0.00 0.00 178.15 178.48 3dmd h ALA 231 N 0.99 0.83 -0.36 1.87 0.00 -0.97 0.59 119.26 122.20 3dmd h ALA 231 Ca 0.16 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3dmd h ALA 231 Cb 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3dmd h ALA 231 CO 0.00 0.63 0.23 -0.09 0.00 0.00 0.00 179.25 180.02 3dmd h ARG 232 N 0.96 0.45 -0.19 0.00 2.43 -0.95 0.27 114.38 117.34 3dmd h ARG 232 Ca 0.18 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 59.12 3dmd h ARG 232 Cb 0.50 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3dmd h ARG 232 CO 0.02 0.30 -0.70 0.28 -1.51 0.00 0.00 179.97 178.35 3dmd h VAL 233 N 0.46 1.28 0.00 0.20 2.07 -1.11 -3.34 116.25 115.82 3dmd h VAL 233 Ca 0.14 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.75 3dmd h VAL 233 Cb -0.03 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3dmd h VAL 233 CO -0.05 0.61 -1.36 0.35 0.02 0.00 0.00 177.57 177.14 3dmd n THR 234 N -3.95 0.09 -3.83 2.57 -2.24 0.18 -4.96 114.28 102.14 3dmd n THR 234 Ca -0.06 -0.29 -0.36 0.00 -2.27 0.00 0.00 64.05 61.07 3dmd n THR 234 Cb 0.71 0.30 0.03 0.00 -2.10 0.00 0.00 70.33 69.27 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 -1.99 -0.85 -1.65 -0.78 5.02 0.92 -4.82 118.16 114.02 3dmd n LYS 235 Ca 0.00 0.36 -0.44 0.00 -2.02 0.00 0.00 58.31 56.21 3dmd n LYS 235 Cb 0.46 -3.36 -0.02 0.00 -0.02 0.00 0.00 35.03 32.10 3dmd n LYS 235 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3dmd n PRO 236 N -4.32 1.81 0.06 1.97 -0.02 -1.26 -4.91 135.00 128.33 3dmd n PRO 236 Ca -0.12 0.64 -0.03 0.00 -2.02 0.00 0.00 63.50 61.97 3dmd n PRO 236 Cb 0.59 -2.18 0.19 0.00 -0.02 0.00 0.00 33.50 32.08 3dmd n PRO 236 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3dmd h ASN 237 N 2.96 0.36 -3.57 2.55 2.35 -1.13 -3.45 115.58 115.64 3dmd h ASN 237 Ca -0.44 -0.15 -0.17 0.00 -0.55 0.00 0.00 56.30 54.99 3dmd h ASN 237 Cb 1.30 -0.10 -0.27 0.00 0.05 0.00 0.00 38.32 39.30 3dmd h ASN 237 CO 0.66 0.72 -0.42 -0.22 -1.65 0.00 0.00 177.43 176.53 3dmd s LEU 238 N -8.37 0.62 -0.17 1.61 2.96 -0.96 -5.03 118.68 109.34 3dmd s LEU 238 Ca -0.05 0.58 0.00 0.00 -0.22 0.00 0.00 54.13 54.44 3dmd s LEU 238 Cb 0.13 0.91 0.01 0.00 0.50 0.00 0.00 46.19 47.74 3dmd s LEU 238 CO 0.79 -0.13 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.82 3dmd s VAL 239 N 0.73 2.39 -0.16 1.68 1.01 -1.26 -1.04 120.40 123.74 3dmd s VAL 239 Ca -0.05 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 3dmd s VAL 239 Cb -0.06 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 3dmd s VAL 239 CO -0.05 0.52 -0.14 -0.63 0.00 0.00 0.00 175.10 174.81 3dmd s ILE 240 N 1.14 2.78 -0.14 2.22 1.01 0.45 0.29 121.20 128.95 3dmd s ILE 240 Ca 0.01 -0.72 -0.22 0.00 0.00 0.00 0.00 60.65 59.72 3dmd s ILE 240 Cb -0.14 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 3dmd s ILE 240 CO -0.07 0.50 0.65 0.12 0.00 0.00 0.00 174.94 176.14 3dmd s PHE 241 N 0.90 3.47 -0.17 3.97 5.36 0.04 -1.14 117.98 130.41 3dmd s PHE 241 Ca -0.03 1.06 -0.07 0.00 -0.96 0.00 0.00 56.93 56.92 3dmd s PHE 241 Cb -0.15 -2.78 -0.04 0.00 -0.34 0.00 0.00 43.02 39.70 3dmd s PHE 241 CO -0.01 -0.04 0.08 0.08 -1.46 0.00 0.00 175.22 173.87 3dmd s VAL 242 N 1.38 4.99 -0.03 3.12 1.01 0.10 -1.05 120.40 129.91 3dmd s VAL 242 Ca 0.32 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.25 3dmd s VAL 242 Cb -0.16 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.00 3dmd s VAL 242 CO 0.13 0.49 0.19 -0.83 0.00 0.00 0.00 175.10 175.08 3dmd s GLY 243 N 0.08 -0.06 -0.29 4.51 0.00 -0.84 -4.48 107.32 106.23 3dmd s GLY 243 Ca 0.07 0.22 -0.26 0.00 0.00 0.00 0.00 44.72 44.74 3dmd s GLY 243 CO 0.00 0.09 0.92 -0.35 0.00 0.00 0.00 173.10 173.76 3dmd s ASP 244 N -0.79 6.83 0.52 1.64 -1.08 -1.26 -0.70 116.67 121.83 3dmd s ASP 244 Ca -0.09 0.93 0.30 0.00 -0.52 0.00 0.00 52.55 53.17 3dmd s ASP 244 Cb -0.05 -2.47 1.39 0.00 -1.46 0.00 0.00 42.92 40.33 3dmd s ASP 244 CO 0.01 -0.69 2.02 0.00 0.52 0.00 0.00 175.17 177.03 3dmd h ALA 245 N 7.96 1.11 0.00 3.66 0.00 -1.54 -2.17 119.26 128.28 3dmd h ALA 245 Ca -0.22 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3dmd h ALA 245 Cb 1.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3dmd h ALA 245 CO 0.94 0.13 0.00 -0.07 0.00 0.00 0.00 179.25 180.26 3dmd h LEU 246 N 0.00 0.00 -6.15 0.00 3.38 -1.78 -3.31 115.31 107.44 3dmd h LEU 246 Ca -0.00 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.22 3dmd h LEU 246 Cb 0.46 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.07 3dmd h LEU 246 CO 0.01 0.00 2.24 0.00 0.09 0.00 0.00 178.44 180.79 3dmd n ALA 247 N -2.05 5.85 0.28 1.53 0.00 -0.82 -4.75 120.51 120.55 3dmd n ALA 247 Ca -0.00 -4.21 0.17 0.00 0.00 0.00 0.00 53.44 49.39 3dmd n ALA 247 Cb 0.22 -2.96 0.79 0.00 0.00 0.00 0.00 19.45 17.51 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 7.30 0.00 -0.55 0.00 0.00 -1.83 -1.51 103.07 106.48 3dmd h GLY 248 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 3dmd h GLY 248 CO 1.61 0.00 0.00 1.16 0.00 0.00 0.00 176.54 179.31 3dmd n ASN 249 N -3.27 1.24 0.00 0.19 6.94 -1.26 -4.51 115.26 114.59 3dmd n ASN 249 Ca -0.01 -1.71 0.00 0.00 -0.02 0.00 0.00 54.58 52.84 3dmd n ASN 249 Cb 0.25 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 3dmd n ASN 249 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3dmd n ALA 250 N 0.07 1.95 -0.36 -2.53 0.00 -0.93 -4.93 120.51 113.78 3dmd n ALA 250 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.69 3dmd n ALA 250 Cb 0.25 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.00 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 0.76 -0.35 0.00 2.10 -1.52 0.90 117.51 119.40 3dmd h ILE 251 Ca 0.00 -0.28 -0.06 0.00 1.08 0.00 0.00 64.86 65.60 3dmd h ILE 251 Cb 0.00 -0.14 -0.01 0.00 -1.09 0.00 0.00 36.82 35.58 3dmd h ILE 251 CO 0.00 0.15 -0.01 0.58 -1.08 0.00 0.00 178.15 177.79 3dmd h VAL 252 N 0.83 1.26 -0.30 2.19 2.07 -1.87 -1.98 116.25 118.45 3dmd h VAL 252 Ca 0.56 -1.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 3dmd h VAL 252 Cb 0.79 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3dmd h VAL 252 CO -0.35 0.33 -0.20 -0.08 0.02 0.00 0.00 177.57 177.29 3dmd h GLU 253 N 0.43 0.55 -0.23 1.57 4.57 -1.32 -0.75 114.58 119.40 3dmd h GLU 253 Ca 0.10 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3dmd h GLU 253 Cb 0.47 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 3dmd h GLU 253 CO 0.02 0.72 0.05 1.96 -1.18 0.00 0.00 179.01 180.58 3dmd h GLN 254 N 0.49 0.14 -0.65 1.92 4.20 -0.79 -2.29 115.11 118.14 3dmd h GLN 254 Ca 0.08 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 3dmd h GLN 254 Cb 0.62 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 3dmd h GLN 254 CO 0.04 0.10 0.28 0.00 -0.67 0.00 0.00 178.83 178.58 3dmd h ALA 255 N 1.16 0.84 -0.77 3.87 0.00 -0.92 -2.04 119.26 121.40 3dmd h ALA 255 Ca 0.10 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.94 3dmd h ALA 255 Cb 0.09 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.56 3dmd h ALA 255 CO -0.13 0.43 0.42 0.00 0.00 0.00 0.00 179.25 179.97 3dmd h ARG 256 N 0.90 0.70 0.00 0.00 3.08 -0.99 0.25 114.38 118.32 3dmd h ARG 256 Ca 0.22 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 3dmd h ARG 256 Cb 0.17 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3dmd h ARG 256 CO -0.02 0.46 -0.00 1.96 -1.07 0.00 0.00 179.97 181.30 3dmd h GLN 257 N 0.72 -0.00 -0.52 0.04 4.20 -0.83 -2.21 115.11 116.51 3dmd h GLN 257 Ca 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.07 3dmd h GLN 257 Cb 0.33 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 3dmd h GLN 257 CO -0.24 0.32 0.30 0.74 -0.67 0.00 0.00 178.83 179.27 3dmd h PHE 258 N -0.32 0.70 -0.51 2.96 0.04 -1.26 -2.71 116.94 115.84 3dmd h PHE 258 Ca -0.00 -0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.86 3dmd h PHE 258 Cb 0.32 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 3dmd h PHE 258 CO 0.04 0.50 0.35 -0.97 -0.60 0.00 0.00 178.31 177.63 3dmd h ASN 259 N 0.70 0.22 0.78 2.17 -1.24 -0.34 0.97 115.58 118.84 3dmd h ASN 259 Ca 0.18 0.01 -0.11 0.00 0.71 0.00 0.00 56.30 57.09 3dmd h ASN 259 Cb 0.02 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 3dmd h ASN 259 CO -0.03 0.13 -0.50 -0.08 -1.29 0.00 0.00 177.43 175.65 3dmd h GLU 260 N 0.24 0.00 0.00 6.67 4.81 -1.06 -3.30 114.58 121.95 3dmd h GLU 260 Ca 0.24 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.27 3dmd h GLU 260 Cb 0.63 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 3dmd h GLU 260 CO -0.05 0.50 -1.10 0.00 -0.73 0.00 0.00 179.01 177.64 3dmd h ALA 261 N 1.50 0.23 -3.36 2.92 0.00 -1.05 -3.46 119.26 116.03 3dmd h ALA 261 Ca -0.01 -1.12 -0.36 0.00 0.00 0.00 0.00 54.91 53.43 3dmd h ALA 261 Cb 1.03 0.64 -0.37 0.00 0.00 0.00 0.00 17.79 19.08 3dmd h ALA 261 CO 0.07 0.62 -0.74 0.08 0.00 0.00 0.00 179.25 179.27 3dmd s VAL 262 N -2.35 -0.00 0.03 0.00 1.01 0.17 -4.79 120.40 114.47 3dmd s VAL 262 Ca -0.27 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 3dmd s VAL 262 Cb 0.05 -0.21 -0.08 0.00 0.00 0.00 0.00 36.38 36.15 3dmd s VAL 262 CO 0.61 0.17 1.68 -0.75 0.00 0.00 0.00 175.10 176.81 3dmd s LYS 263 N 1.83 4.19 0.05 2.72 2.20 -1.24 -4.00 119.74 125.49 3dmd s LYS 263 Ca 0.01 2.32 -0.26 0.00 -0.36 0.00 0.00 55.97 57.67 3dmd s LYS 263 Cb -0.12 -3.76 -0.05 0.00 -1.51 0.00 0.00 37.83 32.38 3dmd s LYS 263 CO -0.03 -0.78 0.82 0.42 -0.36 0.00 0.00 175.35 175.41 3dmd s ILE 264 N 3.19 4.70 -0.16 5.43 1.01 -1.26 -4.68 121.20 129.43 3dmd s ILE 264 Ca 0.75 1.74 0.13 0.00 0.00 0.00 0.00 60.65 63.28 3dmd s ILE 264 Cb -0.38 -4.17 -0.24 0.00 0.01 0.00 0.00 42.46 37.68 3dmd s ILE 264 CO 0.32 0.34 0.20 0.47 0.00 0.00 0.00 174.94 176.27 3dmd n ASP 265 N 2.90 0.62 -3.86 3.58 8.00 0.15 -4.80 116.55 123.14 3dmd n ASP 265 Ca -0.01 0.10 -0.10 0.00 0.71 0.00 0.00 54.79 55.50 3dmd n ASP 265 Cb 0.50 0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 41.97 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 -5.54 0.21 -0.01 0.44 0.00 -0.87 -4.01 107.32 97.54 3dmd s GLY 266 Ca -0.13 -0.58 0.05 0.00 0.00 0.00 0.00 44.72 44.06 3dmd s GLY 266 CO 0.79 -0.60 -0.17 -0.42 0.00 0.00 0.00 173.10 172.71 3dmd s ILE 267 N -3.92 1.33 -0.14 0.90 1.01 -0.06 -0.78 121.20 119.55 3dmd s ILE 267 Ca 0.13 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.04 3dmd s ILE 267 Cb 0.02 -1.12 0.02 0.00 0.01 0.00 0.00 42.46 41.39 3dmd s ILE 267 CO -0.02 0.36 -0.17 -0.63 0.00 0.00 0.00 174.94 174.47 3dmd s ILE 268 N -0.43 1.71 -0.20 2.92 1.01 -0.22 0.53 121.20 126.53 3dmd s ILE 268 Ca 0.06 -0.75 -0.09 0.00 0.00 0.00 0.00 60.65 59.87 3dmd s ILE 268 Cb -0.07 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.80 3dmd s ILE 268 CO -0.00 0.48 0.10 -0.76 0.00 0.00 0.00 174.94 174.76 3dmd s LEU 269 N 1.12 4.01 0.33 2.97 1.43 -1.18 -1.99 118.68 125.38 3dmd s LEU 269 Ca -0.02 0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 3dmd s LEU 269 Cb -0.14 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 3dmd s LEU 269 CO -0.06 0.16 0.49 0.42 0.23 0.00 0.00 176.35 177.59 3dmd s THR 270 N 0.49 4.54 -1.33 5.49 -4.23 0.12 -0.57 115.64 120.14 3dmd s THR 270 Ca 0.06 -0.82 -0.05 0.00 -1.18 0.00 0.00 61.69 59.69 3dmd s THR 270 Cb -0.12 -3.61 0.03 0.00 1.34 0.00 0.00 72.50 70.14 3dmd s THR 270 CO -0.00 -0.30 0.38 0.29 -0.54 0.00 0.00 174.62 174.45 3dmd n LYS 271 N -1.68 -3.44 0.13 3.99 5.02 -1.10 -1.52 118.16 119.57 3dmd n LYS 271 Ca -0.03 0.65 -0.02 0.00 -2.02 0.00 0.00 58.31 56.90 3dmd n LYS 271 Cb 0.57 -5.38 0.13 0.00 -0.02 0.00 0.00 35.03 30.33 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 -0.80 0.00 -2.29 -0.35 5.85 -1.36 -3.01 115.31 113.36 3dmd h LEU 272 Ca -0.43 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 3dmd h LEU 272 Cb 1.30 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 3dmd h LEU 272 CO 0.50 0.67 -0.00 -2.24 -0.34 0.00 0.00 178.44 177.03 3dmd h ASP 273 N 0.00 0.00 -0.31 1.25 2.03 -1.88 -1.52 116.42 116.00 3dmd h ASP 273 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 3dmd h ASP 273 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 3dmd h ASP 273 CO 0.09 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.30 3dmd n ALA 274 N -2.41 2.47 -2.67 4.15 0.00 -1.14 -4.86 120.51 116.06 3dmd n ALA 274 Ca -0.03 -0.75 -0.43 0.00 0.00 0.00 0.00 53.44 52.23 3dmd n ALA 274 Cb 0.08 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.43 6.33 -0.31 0.00 2.15 -0.57 -4.87 116.67 117.96 3dmd s ASP 275 Ca 0.34 -0.39 0.10 0.00 0.43 0.00 0.00 52.55 53.03 3dmd s ASP 275 Cb 0.19 -2.44 0.69 0.00 -0.30 0.00 0.00 42.92 41.07 3dmd s ASP 275 CO 0.27 -1.25 1.74 0.00 -0.17 0.00 0.00 175.17 175.76 3dmd n ALA 276 N 7.51 4.44 -0.71 3.66 0.00 -1.26 -0.83 120.51 133.32 3dmd n ALA 276 Ca 0.01 -2.47 0.00 0.00 0.00 0.00 0.00 53.44 50.98 3dmd n ALA 276 Cb 0.47 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.37 0.00 -0.13 0.00 1.74 -1.26 -3.09 116.66 113.55 3dmd n ARG 277 Ca 0.39 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 3dmd n ARG 277 Cb 1.32 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.76 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 3.25 0.59 0.28 -0.13 0.00 -1.26 -2.73 105.19 105.18 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 1.01 0.59 -0.02 0.00 -1.82 0.42 103.07 103.26 3dmd h GLY 279 Ca 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 3dmd h GLY 279 CO 0.00 0.40 -0.00 0.00 0.00 0.00 0.00 176.54 176.94 3dmd h ALA 280 N 1.23 -0.01 -0.98 3.60 0.00 -1.71 -1.84 119.26 119.55 3dmd h ALA 280 Ca 0.25 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3dmd h ALA 280 Cb -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 3dmd h ALA 280 CO -0.05 -0.30 0.63 0.00 0.00 0.00 0.00 179.25 179.53 3dmd h ALA 281 N 0.58 1.37 0.00 0.00 0.00 -1.86 0.83 119.26 120.17 3dmd h ALA 281 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3dmd h ALA 281 Cb 0.41 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3dmd h ALA 281 CO 0.00 0.42 -0.23 1.25 0.00 0.00 0.00 179.25 180.70 3dmd h LEU 282 N 1.15 0.00 0.03 0.00 5.85 -0.86 -3.30 115.31 118.19 3dmd h LEU 282 Ca 0.43 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.85 3dmd h LEU 282 Cb 0.17 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3dmd h LEU 282 CO -0.17 0.23 -1.66 0.28 -0.34 0.00 0.00 178.44 176.77 3dmd h SER 283 N 0.00 0.12 -0.86 1.25 0.02 -0.01 -3.42 113.55 110.65 3dmd h SER 283 Ca -0.00 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3dmd h SER 283 Cb 0.45 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 3dmd h SER 283 CO 0.03 1.19 0.52 -0.29 -1.14 0.00 0.00 176.83 177.14 3dmd h ILE 284 N 0.02 1.24 -0.73 3.27 2.10 -1.29 -2.54 117.51 119.58 3dmd h ILE 284 Ca -0.27 -0.51 -0.03 0.00 1.08 0.00 0.00 64.86 65.12 3dmd h ILE 284 Cb 1.99 0.03 -0.03 0.00 -1.09 0.00 0.00 36.82 37.72 3dmd h ILE 284 CO 0.10 0.25 0.33 0.28 -1.08 0.00 0.00 178.15 178.03 3dmd h SER 285 N 1.17 0.97 0.01 2.19 0.02 -1.81 -2.75 113.55 113.34 3dmd h SER 285 Ca 0.31 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3dmd h SER 285 Cb -0.05 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.24 3dmd h SER 285 CO -0.06 0.84 -0.00 0.22 -1.14 0.00 0.00 176.83 176.69 3dmd h TYR 286 N 1.03 -0.01 -0.94 3.45 3.20 -1.64 0.19 116.97 122.25 3dmd h TYR 286 Ca 0.25 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.20 3dmd h TYR 286 Cb 0.14 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.35 3dmd h TYR 286 CO 0.01 0.31 0.59 0.28 -1.64 0.00 0.00 178.16 177.71 3dmd h VAL 287 N -0.33 1.02 0.00 1.81 2.07 -1.40 -2.00 116.25 117.42 3dmd h VAL 287 Ca -0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3dmd h VAL 287 Cb 0.32 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 3dmd h VAL 287 CO 0.00 0.19 -0.87 -0.38 0.02 0.00 0.00 177.57 176.53 3dmd n ILE 288 N -4.59 0.04 -3.80 4.57 2.08 -1.05 -4.98 119.36 111.63 3dmd n ILE 288 Ca 0.15 -0.07 -0.25 0.00 0.56 0.00 0.00 62.75 63.14 3dmd n ILE 288 Cb 0.22 0.55 0.01 0.00 -0.75 0.00 0.00 39.64 39.67 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 -1.62 -1.56 -3.85 4.38 2.03 0.58 -4.94 116.55 111.57 3dmd n ASP 289 Ca 0.04 -0.94 -0.12 0.00 0.52 0.00 0.00 54.79 54.29 3dmd n ASP 289 Cb 0.36 -3.50 -0.13 0.00 -0.72 0.00 0.00 41.12 37.13 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 -3.76 -0.17 0.31 -1.67 0.00 -0.71 -4.54 121.76 111.21 3dmd s ALA 290 Ca 0.09 0.19 -0.29 0.00 0.00 0.00 0.00 51.96 51.95 3dmd s ALA 290 Cb -0.03 -0.11 -0.10 0.00 0.00 0.00 0.00 23.12 22.88 3dmd s ALA 290 CO 0.85 -0.03 1.21 -2.14 0.00 0.00 0.00 175.76 175.65 3dmd s PRO 291 N 0.03 4.49 -0.01 0.00 0.02 -1.26 -4.32 135.00 133.94 3dmd s PRO 291 Ca -0.00 2.02 -0.30 0.00 0.02 0.00 0.00 61.00 62.74 3dmd s PRO 291 Cb -0.01 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.34 3dmd s PRO 291 CO 0.00 -0.00 1.40 0.42 -0.33 0.00 0.00 177.00 178.49 3dmd s ILE 292 N -1.16 3.74 -0.21 2.83 1.01 -1.26 -0.88 121.20 125.27 3dmd s ILE 292 Ca 0.47 1.11 -0.10 0.00 0.00 0.00 0.00 60.65 62.13 3dmd s ILE 292 Cb -0.36 -3.71 -0.19 0.00 0.01 0.00 0.00 42.46 38.21 3dmd s ILE 292 CO 0.47 -0.01 0.01 0.18 0.00 0.00 0.00 174.94 175.59 3dmd n LEU 293 N 5.47 2.38 -4.19 2.97 4.77 0.19 -4.63 117.00 123.97 3dmd n LEU 293 Ca 0.13 0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 56.20 3dmd n LEU 293 Cb 0.44 -0.96 -0.10 0.00 -2.33 0.00 0.00 43.42 40.47 3dmd n LEU 293 CO 0.58 0.68 -0.31 -0.36 -1.33 0.00 0.00 177.39 176.65 3dmd s PHE 294 N -2.49 1.00 0.03 -1.77 0.08 -1.24 -0.93 117.98 112.66 3dmd s PHE 294 Ca -0.31 -1.14 0.02 0.00 0.12 0.00 0.00 56.93 55.62 3dmd s PHE 294 Cb 0.09 -0.57 -0.02 0.00 -0.57 0.00 0.00 43.02 41.95 3dmd s PHE 294 CO 0.62 -0.38 -0.07 0.14 -0.10 0.00 0.00 175.22 175.43 3dmd s VAL 295 N -3.87 0.48 -0.33 -0.44 -7.23 0.14 -3.10 120.40 106.05 3dmd s VAL 295 Ca 0.23 -0.85 -0.15 0.00 -1.81 0.00 0.00 61.98 59.40 3dmd s VAL 295 Cb 0.07 -0.52 -0.02 0.00 0.56 0.00 0.00 36.38 36.48 3dmd s VAL 295 CO 0.02 -0.26 0.36 -0.83 -0.31 0.00 0.00 175.10 174.08 3dmd s GLY 296 N -1.20 1.90 -0.19 2.32 0.00 0.26 -0.84 107.32 109.56 3dmd s GLY 296 Ca -0.07 -1.15 0.13 0.00 0.00 0.00 0.00 44.72 43.63 3dmd s GLY 296 CO 0.00 0.99 1.21 3.33 0.00 0.00 0.00 173.10 178.63 3dmd n VAL 297 N 5.23 1.91 -0.82 1.40 0.24 -0.29 -1.12 118.33 124.87 3dmd n VAL 297 Ca -0.09 -3.04 0.00 0.00 -2.04 0.00 0.00 64.34 59.17 3dmd n VAL 297 Cb 0.50 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 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 -0.82 -2.34 0.23 7.63 0.00 -1.26 -4.83 105.19 103.80 3dmd n GLY 298 Ca 0.20 -1.25 0.10 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.64 0.57 -2.54 1.61 6.02 -1.26 -4.79 117.38 116.35 3dmd n GLN 299 Ca 0.00 -0.45 -0.33 0.00 -0.01 0.00 0.00 57.00 56.20 3dmd n GLN 299 Cb 0.00 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.73 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 -2.75 2.35 0.44 1.08 0.00 -1.26 -4.94 107.32 102.23 3dmd s GLY 300 Ca 0.13 0.45 0.19 0.00 0.00 0.00 0.00 44.72 45.48 3dmd s GLY 300 CO 0.73 0.75 1.88 -0.97 0.00 0.00 0.00 173.10 175.49 3dmd h TYR 301 N 1.42 0.46 -0.51 1.90 0.05 -1.99 0.15 116.97 118.45 3dmd h TYR 301 Ca -0.49 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.31 3dmd h TYR 301 Cb 1.20 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.80 3dmd h TYR 301 CO 0.60 0.13 0.00 -0.25 -1.05 0.00 0.00 178.16 177.59 3dmd n ASP 302 N -4.48 3.44 -0.47 3.88 8.00 -1.26 -3.55 116.55 122.11 3dmd n ASP 302 Ca 0.18 -2.22 0.13 0.00 0.71 0.00 0.00 54.79 53.59 3dmd n ASP 302 Cb 0.68 -0.45 0.34 0.00 -0.02 0.00 0.00 41.12 41.66 3dmd n ASP 302 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3dmd n ASP 303 N 0.91 1.62 -4.48 -2.24 8.00 0.52 -4.64 116.55 116.24 3dmd n ASP 303 Ca 0.19 -1.36 -0.43 0.00 0.71 0.00 0.00 54.79 53.90 3dmd n ASP 303 Cb 0.62 0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 41.78 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 -2.24 4.48 -0.03 0.64 2.96 -1.23 -1.13 118.68 122.12 3dmd s LEU 304 Ca 0.29 -0.67 0.07 0.00 -0.22 0.00 0.00 54.13 53.60 3dmd s LEU 304 Cb 0.20 -2.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.25 3dmd s LEU 304 CO 0.43 -1.14 -0.26 -0.13 -1.32 0.00 0.00 176.35 173.93 3dmd s ARG 305 N 3.48 2.24 0.19 1.98 0.52 -0.02 -4.90 118.95 122.44 3dmd s ARG 305 Ca 0.23 -0.92 -0.31 0.00 -0.52 0.00 0.00 55.73 54.21 3dmd s ARG 305 Cb -0.16 -2.08 -0.16 0.00 0.52 0.00 0.00 34.95 33.07 3dmd s ARG 305 CO 0.15 0.51 0.99 -2.30 0.02 0.00 0.00 175.30 174.66 3dmd n PRO 306 N 2.59 0.87 -2.80 3.54 -0.02 -1.26 -0.68 135.00 137.23 3dmd n PRO 306 Ca -0.16 0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 61.22 3dmd n PRO 306 Cb 0.51 -1.67 -0.05 0.00 -0.02 0.00 0.00 33.50 32.28 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 -0.55 3.79 -0.17 6.00 5.36 -0.11 -4.75 117.98 127.56 3dmd s PHE 307 Ca 0.69 1.71 0.01 0.00 -0.96 0.00 0.00 56.93 58.38 3dmd s PHE 307 Cb -0.87 -2.99 0.03 0.00 -0.34 0.00 0.00 43.02 38.85 3dmd s PHE 307 CO 0.55 0.23 -0.13 -1.21 -1.46 0.00 0.00 175.22 173.20 3dmd s GLU 308 N -0.02 2.20 0.27 10.12 2.02 -1.26 -4.96 118.70 127.07 3dmd s GLU 308 Ca 0.45 -0.69 0.01 0.00 0.02 0.00 0.00 54.97 54.75 3dmd s GLU 308 Cb -0.23 -2.25 0.61 0.00 0.10 0.00 0.00 34.13 32.36 3dmd s GLU 308 CO 0.28 -0.32 1.72 -0.22 0.02 0.00 0.00 175.26 176.74 3dmd h LYS 309 N 8.01 0.47 -0.15 1.61 3.64 -1.96 -2.16 116.57 126.03 3dmd h LYS 309 Ca -0.34 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 3dmd h LYS 309 Cb 1.12 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 3dmd h LYS 309 CO 0.51 0.31 0.05 1.49 -2.27 0.00 0.00 179.45 179.54 3dmd h GLU 310 N 0.48 0.24 -0.98 1.90 4.57 -1.99 -0.19 114.58 118.60 3dmd h GLU 310 Ca 0.50 -0.05 0.14 0.00 -1.18 0.00 0.00 59.36 58.76 3dmd h GLU 310 Cb 0.84 -0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 29.30 3dmd h GLU 310 CO -0.45 0.36 0.60 2.35 -1.18 0.00 0.00 179.01 180.69 3dmd h TRP 311 N 0.07 1.08 -0.05 0.92 7.01 -1.89 -1.28 115.95 121.80 3dmd h TRP 311 Ca 0.05 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 3dmd h TRP 311 Cb 0.22 -0.34 -0.00 0.00 -2.10 0.00 0.00 29.16 26.95 3dmd h TRP 311 CO -0.00 0.37 0.02 0.35 -2.79 0.00 0.00 178.44 176.39 3dmd h PHE 312 N 0.90 0.08 -0.56 2.65 3.57 -0.70 -1.41 116.94 121.47 3dmd h PHE 312 Ca 0.51 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 62.02 3dmd h PHE 312 Cb 0.59 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 3dmd h PHE 312 CO -0.01 0.22 0.35 -0.07 -2.23 0.00 0.00 178.31 176.57 3dmd h LEU 313 N -0.09 0.59 -0.12 0.59 3.38 -0.65 -2.14 115.31 116.88 3dmd h LEU 313 Ca 0.02 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3dmd h LEU 313 Cb 0.17 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3dmd h LEU 313 CO -0.00 0.42 -0.10 -0.33 0.09 0.00 0.00 178.44 178.52 3dmd h GLU 314 N 0.71 -0.11 -0.88 1.13 3.07 -1.15 -0.59 114.58 116.75 3dmd h GLU 314 Ca 0.22 0.01 0.14 0.00 -0.50 0.00 0.00 59.36 59.22 3dmd h GLU 314 Cb -0.03 0.03 -0.09 0.00 -0.84 0.00 0.00 28.75 27.82 3dmd h GLU 314 CO -0.07 -0.08 0.49 0.00 -1.40 0.00 0.00 179.01 177.95 3dmd h ARG 315 N -0.12 0.69 0.64 2.33 2.47 -0.94 0.39 114.38 119.86 3dmd h ARG 315 Ca 0.08 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 3dmd h ARG 315 Cb 0.23 -0.16 0.01 0.00 -1.65 0.00 0.00 29.97 28.40 3dmd h ARG 315 CO -0.19 0.46 -0.31 0.82 0.56 0.00 0.00 179.97 181.31 3dmd h ILE 316 N 0.72 0.00 -0.01 2.04 2.04 -0.82 -3.28 117.51 118.19 3dmd h ILE 316 Ca 0.47 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 66.10 3dmd h ILE 316 Cb 0.61 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3dmd h ILE 316 CO -0.33 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.31 3dmd n PHE 317 N -4.97 0.01 -0.36 1.37 3.72 -0.28 -4.65 117.46 112.30 3dmd n PHE 317 Ca -0.11 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 3dmd n PHE 317 Cb 0.34 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 3dmd n PHE 317 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12