#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nn1 s ARG 5 N 0.00 2.72 0.83 5.56 1.70 -1.26 -3.99 118.95 124.50 1nn1 s ARG 5 Ca 0.00 1.19 -0.12 0.00 -0.47 0.00 0.00 55.73 56.33 1nn1 s ARG 5 Cb 0.00 -1.95 0.09 0.00 -0.57 0.00 0.00 34.95 32.52 1nn1 s ARG 5 CO 0.00 -1.29 1.16 0.20 -1.08 0.00 0.00 175.30 174.29 1nn1 s GLY 6 N -3.15 1.59 0.27 3.88 0.00 0.02 -4.81 107.32 105.13 1nn1 s GLY 6 Ca 0.63 -0.57 -0.04 0.00 0.00 0.00 0.00 44.72 44.74 1nn1 s GLY 6 CO 0.49 -0.07 0.52 0.00 0.00 0.00 0.00 173.10 174.03 1nn1 s ALA 7 N -3.46 3.67 -0.32 3.20 0.00 -1.26 -4.82 121.76 118.77 1nn1 s ALA 7 Ca 0.62 -0.62 -0.06 0.00 0.00 0.00 0.00 51.96 51.90 1nn1 s ALA 7 Cb -0.12 -2.23 0.03 0.00 0.00 0.00 0.00 23.12 20.79 1nn1 s ALA 7 CO 0.51 0.29 0.09 -1.17 0.00 0.00 0.00 175.76 175.47 1nn1 s LEU 8 N -3.49 4.08 -0.14 0.00 2.96 -1.26 -0.67 118.68 120.16 1nn1 s LEU 8 Ca 0.43 -0.95 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1nn1 s LEU 8 Cb -0.11 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.73 1nn1 s LEU 8 CO 0.30 -0.26 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.21 1nn1 s ILE 9 N 1.44 2.05 -0.07 6.68 1.01 0.16 0.17 121.20 132.64 1nn1 s ILE 9 Ca 0.00 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1nn1 s ILE 9 Cb -0.18 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 1nn1 s ILE 9 CO 0.02 0.55 -0.11 -0.69 0.00 0.00 0.00 174.94 174.71 1nn1 s VAL 10 N 0.79 3.35 -0.19 2.92 1.01 0.07 -0.02 120.40 128.33 1nn1 s VAL 10 Ca -0.08 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 1nn1 s VAL 10 Cb -0.16 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1nn1 s VAL 10 CO -0.01 0.58 0.01 -0.76 0.00 0.00 0.00 175.10 174.93 1nn1 s LEU 11 N -0.62 3.41 0.38 3.92 1.02 0.34 -0.55 118.68 126.56 1nn1 s LEU 11 Ca 0.09 -0.12 0.05 0.00 0.02 0.00 0.00 54.13 54.17 1nn1 s LEU 11 Cb -0.11 -1.86 -0.06 0.00 0.02 0.00 0.00 46.19 44.17 1nn1 s LEU 11 CO 0.01 0.10 0.04 -1.61 0.02 0.00 0.00 176.35 174.92 1nn1 s GLU 12 N 0.77 1.82 0.00 1.70 0.41 0.05 -1.62 118.70 121.83 1nn1 s GLU 12 Ca 0.01 -2.04 0.00 0.00 -0.41 0.00 0.00 54.97 52.53 1nn1 s GLU 12 Cb -0.14 -1.18 0.00 0.00 -1.78 0.00 0.00 34.13 31.03 1nn1 s GLU 12 CO 0.02 -0.17 0.00 0.41 -0.49 0.00 0.00 175.26 175.03 1nn1 n GLY 13 N -0.85 2.17 3.58 -1.39 0.00 -1.26 -1.44 105.19 106.01 1nn1 n GLY 13 Ca -0.05 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 1nn1 n GLY 13 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nn1 s VAL 14 N -2.00 1.67 0.22 1.61 -7.23 -1.26 -4.96 120.40 108.45 1nn1 s VAL 14 Ca 0.00 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.87 1nn1 s VAL 14 Cb 0.00 -2.44 -0.10 0.00 0.56 0.00 0.00 36.38 34.40 1nn1 s VAL 14 CO 0.00 0.00 1.48 -1.81 -0.31 0.00 0.00 175.10 174.46 1nn1 s ASP 15 N -3.69 6.64 -0.17 4.85 1.11 -1.26 -3.27 116.67 120.87 1nn1 s ASP 15 Ca 0.69 2.64 0.00 0.00 0.18 0.00 0.00 52.55 56.07 1nn1 s ASP 15 Cb -0.12 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.25 1nn1 s ASP 15 CO 0.57 -0.74 0.00 0.54 1.18 0.00 0.00 175.17 176.72 1nn1 n ARG 16 N 2.86 -0.16 0.19 8.23 1.74 -1.26 -4.92 116.66 123.33 1nn1 n ARG 16 Ca 0.09 0.44 0.13 0.00 -0.77 0.00 0.00 57.85 57.74 1nn1 n ARG 16 Cb 0.40 -3.92 0.31 0.00 -1.02 0.00 0.00 32.46 28.23 1nn1 n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nn1 h ALA 17 N 0.00 1.00 0.00 7.54 0.00 -1.88 -3.47 119.26 122.45 1nn1 h ALA 17 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nn1 h ALA 17 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1nn1 h ALA 17 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1nn1 n GLY 18 N 1.00 1.43 0.20 0.00 0.00 -1.26 -4.86 105.19 101.69 1nn1 n GLY 18 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 1nn1 n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nn1 h LYS 19 N 0.95 0.36 -0.12 1.61 1.57 -1.91 0.95 116.57 119.98 1nn1 h LYS 19 Ca 0.00 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 1nn1 h LYS 19 Cb 0.00 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.24 1nn1 h LYS 19 CO 0.00 0.24 -0.57 0.77 -0.57 0.00 0.00 179.45 179.32 1nn1 h SER 20 N 0.37 0.70 -0.29 0.86 0.02 -1.96 0.01 113.55 113.25 1nn1 h SER 20 Ca 0.23 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1nn1 h SER 20 Cb 0.24 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1nn1 h SER 20 CO -0.23 1.23 0.18 0.74 -1.14 0.00 0.00 176.83 177.61 1nn1 h THR 21 N 0.23 1.09 -0.26 -2.27 2.02 -1.92 -2.18 112.91 109.62 1nn1 h THR 21 Ca -0.04 -0.19 -0.11 0.00 0.77 0.00 0.00 66.41 66.85 1nn1 h THR 21 Cb 1.21 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1nn1 h THR 21 CO 0.12 0.09 -0.30 1.56 0.37 0.00 0.00 175.52 177.36 1nn1 h GLN 22 N 0.38 0.52 -0.91 6.66 1.08 -0.79 -0.98 115.11 121.08 1nn1 h GLN 22 Ca 0.11 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1nn1 h GLN 22 Cb -0.02 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.35 1nn1 h GLN 22 CO -0.02 0.77 0.58 0.77 -0.95 0.00 0.00 178.83 179.98 1nn1 h SER 23 N 0.45 1.06 -0.17 1.46 0.02 -0.77 0.56 113.55 116.15 1nn1 h SER 23 Ca 0.06 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 1nn1 h SER 23 Cb 0.75 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1nn1 h SER 23 CO 0.06 0.78 -0.14 0.03 -1.14 0.00 0.00 176.83 176.42 1nn1 h ARG 24 N 1.24 0.39 -0.41 3.45 3.08 -1.14 -2.16 114.38 118.83 1nn1 h ARG 24 Ca 0.33 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 1nn1 h ARG 24 Cb -0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1nn1 h ARG 24 CO -0.07 0.74 -0.03 0.87 -1.07 0.00 0.00 179.97 180.42 1nn1 h LYS 25 N 0.05 0.67 -0.20 0.04 1.57 -1.05 -2.27 116.57 115.39 1nn1 h LYS 25 Ca 0.03 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1nn1 h LYS 25 Cb 0.65 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1nn1 h LYS 25 CO 0.04 0.71 0.09 1.25 -0.57 0.00 0.00 179.45 180.97 1nn1 h LEU 26 N 0.63 0.26 -0.26 2.94 5.85 -0.70 -1.71 115.31 122.33 1nn1 h LEU 26 Ca 0.12 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1nn1 h LEU 26 Cb 0.44 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1nn1 h LEU 26 CO 0.02 0.33 0.15 0.58 -0.34 0.00 0.00 178.44 179.18 1nn1 h VAL 27 N 0.18 1.04 -0.71 1.05 2.07 -1.24 -0.32 116.25 118.32 1nn1 h VAL 27 Ca 0.07 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1nn1 h VAL 27 Cb 0.14 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1nn1 h VAL 27 CO -0.01 0.06 0.44 -0.08 0.02 0.00 0.00 177.57 178.00 1nn1 h GLU 28 N 0.32 0.82 -0.33 1.57 4.81 -1.36 -0.69 114.58 119.72 1nn1 h GLU 28 Ca 0.10 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.13 1nn1 h GLU 28 Cb -0.01 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1nn1 h GLU 28 CO -0.04 0.55 -0.40 0.00 -0.73 0.00 0.00 179.01 178.39 1nn1 h ALA 29 N 1.32 0.67 -0.34 2.92 0.00 -0.95 -1.78 119.26 121.11 1nn1 h ALA 29 Ca 0.29 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1nn1 h ALA 29 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1nn1 h ALA 29 CO -0.12 0.67 -0.01 -0.07 0.00 0.00 0.00 179.25 179.71 1nn1 h LEU 30 N 0.65 0.59 -0.99 0.00 3.38 -0.78 -1.78 115.31 116.38 1nn1 h LEU 30 Ca 0.05 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 1nn1 h LEU 30 Cb 0.96 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1nn1 h LEU 30 CO 0.09 0.77 -0.15 0.00 0.09 0.00 0.00 178.44 179.24 1nn1 h ALA 32 N 1.33 1.06 -0.91 0.00 0.00 -1.05 -2.49 119.26 117.20 1nn1 h ALA 32 Ca 0.09 -0.07 -0.42 0.00 0.00 0.00 0.00 54.91 54.51 1nn1 h ALA 32 Cb 0.55 -0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.08 1nn1 h ALA 32 CO 0.04 0.10 0.53 0.00 0.00 0.00 0.00 179.25 179.91 1nn1 n ALA 33 N -2.16 5.25 -0.94 0.00 0.00 -0.39 -4.91 120.51 117.37 1nn1 n ALA 33 Ca -0.00 -2.68 0.00 0.00 0.00 0.00 0.00 53.44 50.75 1nn1 n ALA 33 Cb 0.29 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1nn1 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nn1 n GLY 34 N -0.79 0.55 3.87 0.00 0.00 -0.94 -5.04 105.19 102.84 1nn1 n GLY 34 Ca 0.53 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.24 1nn1 n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nn1 s HIS 35 N -2.47 3.60 -0.39 1.61 4.02 -0.60 -4.99 115.29 116.06 1nn1 s HIS 35 Ca 0.00 1.29 -0.15 0.00 1.02 0.00 0.00 55.06 57.22 1nn1 s HIS 35 Cb 0.00 -2.71 0.01 0.00 -1.02 0.00 0.00 32.58 28.86 1nn1 s HIS 35 CO 0.00 -0.62 0.35 1.03 1.02 0.00 0.00 174.74 176.52 1nn1 s ARG 36 N -4.98 3.17 -0.01 1.40 0.52 -1.26 -4.03 118.95 113.76 1nn1 s ARG 36 Ca 0.55 -0.79 -0.03 0.00 -0.52 0.00 0.00 55.73 54.94 1nn1 s ARG 36 Cb -0.11 -3.93 -0.00 0.00 0.52 0.00 0.00 34.95 31.43 1nn1 s ARG 36 CO 0.50 -0.71 0.06 0.00 0.02 0.00 0.00 175.30 175.17 1nn1 s ALA 37 N 1.89 -0.13 0.03 2.13 0.00 -1.26 -0.93 121.76 123.49 1nn1 s ALA 37 Ca 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 51.96 51.97 1nn1 s ALA 37 Cb -0.18 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 1nn1 s ALA 37 CO 0.11 -0.10 -0.03 -1.21 0.00 0.00 0.00 175.76 174.53 1nn1 s GLU 38 N -0.64 0.42 -0.14 0.00 2.02 -0.34 -4.89 118.70 115.13 1nn1 s GLU 38 Ca -0.07 -0.83 -0.13 0.00 0.02 0.00 0.00 54.97 53.96 1nn1 s GLU 38 Cb -0.04 0.15 -0.05 0.00 0.10 0.00 0.00 34.13 34.29 1nn1 s GLU 38 CO 0.00 -0.07 0.27 -1.17 0.02 0.00 0.00 175.26 174.31 1nn1 s LEU 39 N -2.00 4.28 0.25 1.80 2.96 -1.26 -1.29 118.68 123.42 1nn1 s LEU 39 Ca -0.08 0.52 0.10 0.00 -0.22 0.00 0.00 54.13 54.45 1nn1 s LEU 39 Cb -0.03 -2.33 -0.05 0.00 0.50 0.00 0.00 46.19 44.27 1nn1 s LEU 39 CO -0.04 0.17 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.23 1nn1 s LEU 40 N 0.13 2.57 0.05 -0.68 1.43 0.22 -4.95 118.68 117.45 1nn1 s LEU 40 Ca 0.16 -1.05 -0.04 0.00 -1.03 0.00 0.00 54.13 52.17 1nn1 s LEU 40 Cb -0.13 -0.87 -0.02 0.00 0.03 0.00 0.00 46.19 45.20 1nn1 s LEU 40 CO 0.04 -0.10 0.06 0.00 0.23 0.00 0.00 176.35 176.58 1nn1 s ARG 41 N -3.59 0.64 -0.03 1.70 3.03 -1.26 -1.16 118.95 118.28 1nn1 s ARG 41 Ca 0.27 -0.99 0.02 0.00 2.03 0.00 0.00 55.73 57.06 1nn1 s ARG 41 Cb -0.02 0.24 0.01 0.00 -1.03 0.00 0.00 34.95 34.15 1nn1 s ARG 41 CO 0.11 -0.15 -0.08 -0.06 -1.13 0.00 0.00 175.30 173.99 1nn1 s PHE 42 N -3.40 0.85 0.54 5.89 0.40 -0.52 -3.41 117.98 118.33 1nn1 s PHE 42 Ca 0.02 -0.21 -0.18 0.00 -0.60 0.00 0.00 56.93 55.95 1nn1 s PHE 42 Cb 0.04 -0.63 -0.06 0.00 0.51 0.00 0.00 43.02 42.87 1nn1 s PHE 42 CO -0.08 -0.11 1.06 -1.25 0.70 0.00 0.00 175.22 175.53 1nn1 s PRO 43 N 0.32 3.55 -0.61 0.24 0.04 -1.26 -4.58 135.00 132.71 1nn1 s PRO 43 Ca -0.05 1.33 -0.17 0.00 0.04 0.00 0.00 61.00 62.15 1nn1 s PRO 43 Cb -0.09 -2.06 0.13 0.00 0.04 0.00 0.00 34.50 32.51 1nn1 s PRO 43 CO 0.00 -0.63 0.65 -2.00 0.04 0.00 0.00 177.00 175.07 1nn1 s GLU 44 N -3.57 3.10 0.00 4.56 2.56 -1.22 -4.94 118.70 119.19 1nn1 s GLU 44 Ca 0.66 -1.59 0.19 0.00 0.00 0.00 0.00 54.97 54.23 1nn1 s GLU 44 Cb -0.17 -4.32 1.13 0.00 2.00 0.00 0.00 34.13 32.77 1nn1 s GLU 44 CO 0.27 -1.45 1.58 0.54 -0.56 0.00 0.00 175.26 175.64 1nn1 n ARG 45 N 5.72 0.75 0.09 4.30 1.74 -1.26 -3.69 116.66 124.31 1nn1 n ARG 45 Ca -0.08 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.12 1nn1 n ARG 45 Cb 0.42 -1.40 0.14 0.00 -1.02 0.00 0.00 32.46 30.60 1nn1 n ARG 45 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1nn1 h SER 46 N 0.00 0.00 -3.26 0.55 4.64 -1.92 -3.04 113.55 110.51 1nn1 h SER 46 Ca 0.00 -0.12 -0.46 0.00 -0.47 0.00 0.00 61.79 60.75 1nn1 h SER 46 Cb 0.00 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.21 1nn1 h SER 46 CO 0.00 0.06 0.28 0.42 -0.87 0.00 0.00 176.83 176.72 1nn1 s THR 47 N -3.22 2.07 0.10 2.95 -4.23 -1.24 -4.81 115.64 107.26 1nn1 s THR 47 Ca 0.05 -0.26 -0.23 0.00 -1.18 0.00 0.00 61.69 60.07 1nn1 s THR 47 Cb 0.11 -2.81 -0.11 0.00 1.34 0.00 0.00 72.50 71.03 1nn1 s THR 47 CO 0.73 0.00 1.71 -0.33 -0.54 0.00 0.00 174.62 176.19 1nn1 h GLU 48 N -1.11 -0.09 -0.32 3.99 5.08 -1.93 0.31 114.58 120.51 1nn1 h GLU 48 Ca -0.41 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.00 1nn1 h GLU 48 Cb 1.25 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 1nn1 h GLU 48 CO 0.41 -0.06 0.04 0.82 -1.00 0.00 0.00 179.01 179.22 1nn1 h ILE 49 N -0.09 0.82 -0.54 3.13 2.04 -1.93 -2.25 117.51 118.68 1nn1 h ILE 49 Ca 0.03 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.89 1nn1 h ILE 49 Cb 0.13 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1nn1 h ILE 49 CO -0.07 0.03 0.36 1.23 0.00 0.00 0.00 178.15 179.70 1nn1 h GLY 50 N 0.15 0.64 2.00 5.37 0.00 -1.54 -1.27 103.07 108.43 1nn1 h GLY 50 Ca 0.15 -0.21 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 1nn1 h GLY 50 CO -0.22 0.17 -0.48 0.50 0.00 0.00 0.00 176.54 176.51 1nn1 h LYS 51 N 0.53 0.00 -0.47 4.80 1.57 -0.35 0.35 116.57 122.99 1nn1 h LYS 51 Ca 0.23 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.90 1nn1 h LYS 51 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1nn1 h LYS 51 CO -0.06 0.48 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.08 1nn1 h LEU 52 N 0.00 0.90 -0.35 2.94 3.38 -1.02 -1.94 115.31 119.22 1nn1 h LEU 52 Ca -0.00 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 1nn1 h LEU 52 Cb 0.85 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1nn1 h LEU 52 CO 0.06 1.05 -0.14 -0.07 0.09 0.00 0.00 178.44 179.42 1nn1 h LEU 53 N 0.80 0.73 -0.26 1.67 3.38 -1.09 -1.60 115.31 118.94 1nn1 h LEU 53 Ca 0.12 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1nn1 h LEU 53 Cb 0.68 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1nn1 h LEU 53 CO 0.05 0.96 0.10 -1.28 0.09 0.00 0.00 178.44 178.37 1nn1 h SER 54 N 0.50 0.36 -0.67 -0.43 0.87 -0.82 0.67 113.55 114.03 1nn1 h SER 54 Ca 0.08 -0.17 0.03 0.00 -1.23 0.00 0.00 61.79 60.50 1nn1 h SER 54 Cb 0.67 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.50 1nn1 h SER 54 CO 0.05 0.43 0.42 -1.28 -0.53 0.00 0.00 176.83 175.92 1nn1 h SER 55 N 0.27 0.69 0.03 6.23 0.87 -1.30 -0.82 113.55 119.53 1nn1 h SER 55 Ca 0.09 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1nn1 h SER 55 Cb 0.18 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1nn1 h SER 55 CO -0.01 0.48 -0.02 0.22 -0.53 0.00 0.00 176.83 176.98 1nn1 h TYR 56 N 0.83 -0.04 0.00 2.24 3.20 -1.01 0.09 116.97 122.28 1nn1 h TYR 56 Ca 0.27 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 1nn1 h TYR 56 Cb 0.00 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 1nn1 h TYR 56 CO -0.04 -0.03 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.22 1nn1 h LEU 57 N -0.05 0.00 -0.26 2.82 3.38 -0.46 -1.91 115.31 118.84 1nn1 h LEU 57 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nn1 h LEU 57 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1nn1 h LEU 57 CO 0.01 0.16 -0.04 0.00 0.09 0.00 0.00 178.44 178.66 1nn1 n GLN 58 N -4.33 0.95 -2.03 1.13 6.02 -0.35 -1.14 117.38 117.64 1nn1 n GLN 58 Ca -0.03 -0.26 -0.15 0.00 -0.01 0.00 0.00 57.00 56.56 1nn1 n GLN 58 Cb 0.23 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.97 1nn1 n GLN 58 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1nn1 n LYS 59 N -0.80 -1.14 0.07 -1.09 5.02 -0.72 -4.87 118.16 114.63 1nn1 n LYS 59 Ca 0.19 0.81 0.13 0.00 -2.02 0.00 0.00 58.31 57.42 1nn1 n LYS 59 Cb 0.23 -5.08 0.35 0.00 -0.02 0.00 0.00 35.03 30.51 1nn1 n LYS 59 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1nn1 n LYS 60 N -2.47 0.22 -3.83 1.97 5.02 -0.05 -4.87 118.16 114.14 1nn1 n LYS 60 Ca -0.17 0.13 -0.11 0.00 -2.02 0.00 0.00 58.31 56.15 1nn1 n LYS 60 Cb 0.59 -1.70 -0.08 0.00 -0.02 0.00 0.00 35.03 33.81 1nn1 n LYS 60 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1nn1 s SER 61 N -4.11 0.01 -0.06 4.39 1.04 -1.17 -4.97 113.70 108.83 1nn1 s SER 61 Ca 0.10 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.20 1nn1 s SER 61 Cb 0.14 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 1nn1 s SER 61 CO 0.63 -0.56 -0.05 -1.81 0.98 0.00 0.00 173.24 172.43 1nn1 s ASP 62 N -2.07 4.77 -0.01 7.02 -0.00 -1.26 -4.34 116.67 120.78 1nn1 s ASP 62 Ca -0.05 -0.00 0.01 0.00 -0.00 0.00 0.00 52.55 52.50 1nn1 s ASP 62 Cb -0.01 -1.22 0.01 0.00 -0.00 0.00 0.00 42.92 41.70 1nn1 s ASP 62 CO -0.04 0.36 -0.02 -0.69 -0.00 0.00 0.00 175.17 174.78 1nn1 s VAL 63 N -0.85 0.20 0.32 -1.27 1.01 -1.26 -5.06 120.40 113.49 1nn1 s VAL 63 Ca 0.13 -0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.78 1nn1 s VAL 63 Cb -0.11 -0.21 -0.13 0.00 0.00 0.00 0.00 36.38 35.94 1nn1 s VAL 63 CO 0.02 0.08 1.29 1.21 0.00 0.00 0.00 175.10 177.71 1nn1 n GLU 64 N 3.35 2.06 -0.34 2.72 0.00 -1.26 -4.74 120.64 122.43 1nn1 n GLU 64 Ca -0.17 0.72 0.04 0.00 0.00 0.00 0.00 57.16 57.76 1nn1 n GLU 64 Cb 0.56 -2.30 0.22 0.00 0.00 0.00 0.00 31.44 29.92 1nn1 n GLU 64 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1nn1 h ASP 65 N 2.78 0.95 -0.10 4.31 3.45 -2.00 -0.67 116.42 125.15 1nn1 h ASP 65 Ca -0.45 0.01 -0.05 0.00 0.43 0.00 0.00 57.03 56.97 1nn1 h ASP 65 Cb 1.29 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 39.87 1nn1 h ASP 65 CO 0.64 0.59 -0.13 0.45 -1.57 0.00 0.00 179.24 179.23 1nn1 h HIS 66 N 1.07 0.31 -0.47 4.55 3.86 -2.00 -2.36 115.15 120.12 1nn1 h HIS 66 Ca 0.42 -0.10 0.05 0.00 -1.16 0.00 0.00 60.37 59.58 1nn1 h HIS 66 Cb 0.25 -0.06 -0.05 0.00 1.06 0.00 0.00 27.41 28.61 1nn1 h HIS 66 CO -0.00 0.71 0.19 1.03 0.86 0.00 0.00 177.93 180.73 1nn1 h SER 67 N -0.18 0.24 -0.25 2.45 0.87 -1.82 -1.90 113.55 112.96 1nn1 h SER 67 Ca 0.01 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.52 1nn1 h SER 67 Cb 0.67 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 1nn1 h SER 67 CO 0.03 0.17 -0.15 1.62 -0.53 0.00 0.00 176.83 177.97 1nn1 h VAL 68 N 0.39 1.26 -0.64 2.23 3.04 -1.16 0.67 116.25 122.02 1nn1 h VAL 68 Ca 0.22 -1.17 0.04 0.00 -1.01 0.00 0.00 66.70 64.77 1nn1 h VAL 68 Cb 0.18 1.13 -0.05 0.00 -2.01 0.00 0.00 31.29 30.55 1nn1 h VAL 68 CO -0.19 0.39 0.38 -0.74 -1.01 0.00 0.00 177.57 176.40 1nn1 h HIS 69 N 0.61 0.71 -0.41 3.17 6.17 -1.03 0.03 115.15 124.39 1nn1 h HIS 69 Ca 0.10 0.02 -0.12 0.00 0.71 0.00 0.00 60.37 61.08 1nn1 h HIS 69 Cb 0.60 -0.22 -0.01 0.00 2.52 0.00 0.00 27.41 30.29 1nn1 h HIS 69 CO 0.03 0.38 -0.23 -0.07 0.71 0.00 0.00 177.93 178.75 1nn1 h LEU 70 N 0.73 0.85 -0.54 0.26 3.38 -0.70 -2.36 115.31 116.93 1nn1 h LEU 70 Ca 0.27 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1nn1 h LEU 70 Cb 0.09 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1nn1 h LEU 70 CO -0.13 1.04 0.21 -0.07 0.09 0.00 0.00 178.44 179.57 1nn1 h LEU 71 N 0.72 0.75 -1.13 1.67 3.38 -0.31 0.14 115.31 120.52 1nn1 h LEU 71 Ca 0.10 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1nn1 h LEU 71 Cb 0.76 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1nn1 h LEU 71 CO 0.06 0.72 0.59 -0.26 0.09 0.00 0.00 178.44 179.64 1nn1 h PHE 72 N 0.73 1.08 -0.15 1.13 -1.00 -0.74 -0.87 116.94 117.12 1nn1 h PHE 72 Ca 0.18 0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.92 1nn1 h PHE 72 Cb 0.21 -0.36 -0.00 0.00 3.61 0.00 0.00 35.95 39.41 1nn1 h PHE 72 CO 0.01 0.62 -0.16 1.03 -1.61 0.00 0.00 178.31 178.20 1nn1 h SER 73 N 1.11 0.39 -0.89 2.17 0.87 -1.11 -3.04 113.55 113.04 1nn1 h SER 73 Ca 0.36 -0.49 0.11 0.00 -1.23 0.00 0.00 61.79 60.54 1nn1 h SER 73 Cb 0.05 -0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 61.83 1nn1 h SER 73 CO -0.11 0.80 0.58 0.00 -0.53 0.00 0.00 176.83 177.56 1nn1 h ALA 74 N 0.61 1.67 -0.20 6.23 0.00 -0.39 0.50 119.26 127.68 1nn1 h ALA 74 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1nn1 h ALA 74 Cb 0.69 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1nn1 h ALA 74 CO 0.04 0.13 0.14 -0.97 0.00 0.00 0.00 179.25 178.58 1nn1 h ASN 75 N 0.85 0.18 0.03 0.00 -0.00 -1.09 -0.60 115.58 114.95 1nn1 h ASN 75 Ca 0.42 -0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 56.66 1nn1 h ASN 75 Cb 0.48 -0.04 0.01 0.00 -0.00 0.00 0.00 38.32 38.76 1nn1 h ASN 75 CO -0.19 0.13 -0.27 0.03 -0.00 0.00 0.00 177.43 177.13 1nn1 h ARG 76 N 0.22 0.13 -0.78 6.67 3.08 -0.84 -3.34 114.38 119.53 1nn1 h ARG 76 Ca 0.08 -0.18 0.10 0.00 0.07 0.00 0.00 59.98 60.05 1nn1 h ARG 76 Cb 0.06 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 1nn1 h ARG 76 CO -0.02 1.00 0.51 -1.49 -1.07 0.00 0.00 179.97 178.91 1nn1 h TRP 77 N -0.65 0.73 0.00 3.04 4.06 -0.88 -1.17 115.95 121.08 1nn1 h TRP 77 Ca -0.04 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.92 1nn1 h TRP 77 Cb 1.12 -0.23 -0.00 0.00 -1.00 0.00 0.00 29.16 29.04 1nn1 h TRP 77 CO 0.22 0.33 -0.02 1.05 -3.56 0.00 0.00 178.44 176.46 1nn1 h GLU 78 N 0.67 0.00 -0.02 0.49 4.11 -1.24 -0.11 114.58 118.49 1nn1 h GLU 78 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.79 1nn1 h GLU 78 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1nn1 h GLU 78 CO -0.14 0.02 -0.09 1.04 0.07 0.00 0.00 179.01 179.91 1nn1 n GLN 79 N -3.22 1.69 -0.11 1.06 1.13 -0.45 -4.54 117.38 112.94 1nn1 n GLN 79 Ca -0.02 -1.18 -0.09 0.00 -1.94 0.00 0.00 57.00 53.77 1nn1 n GLN 79 Cb 0.15 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 29.01 1nn1 n GLN 79 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1nn1 h VAL 80 N 2.87 1.16 -0.60 5.09 2.07 -0.89 -1.54 116.25 124.43 1nn1 h VAL 80 Ca 0.00 -0.47 0.11 0.00 0.82 0.00 0.00 66.70 67.15 1nn1 h VAL 80 Cb 0.67 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 31.20 1nn1 h VAL 80 CO 0.00 0.17 0.16 -0.65 0.02 0.00 0.00 177.57 177.28 1nn1 h PRO 81 N 0.42 0.30 -0.44 1.57 0.11 -1.80 0.62 132.00 132.78 1nn1 h PRO 81 Ca 0.12 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.14 1nn1 h PRO 81 Cb 0.12 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 1nn1 h PRO 81 CO -0.01 0.20 -0.01 1.25 -0.21 0.00 0.00 178.00 179.22 1nn1 h LEU 82 N 0.31 0.77 0.05 2.35 5.85 -1.80 -1.13 115.31 121.71 1nn1 h LEU 82 Ca 0.31 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1nn1 h LEU 82 Cb 0.44 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1nn1 h LEU 82 CO -0.37 0.90 -0.06 0.40 -0.34 0.00 0.00 178.44 178.97 1nn1 h ILE 83 N 0.63 0.87 -0.69 4.05 2.04 -0.93 0.19 117.51 123.67 1nn1 h ILE 83 Ca 0.12 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.94 1nn1 h ILE 83 Cb 0.50 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1nn1 h ILE 83 CO 0.02 0.00 0.27 0.11 0.00 0.00 0.00 178.15 178.55 1nn1 h LYS 84 N -0.13 1.03 -0.44 2.37 1.57 -0.76 -1.28 116.57 118.94 1nn1 h LYS 84 Ca 0.01 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1nn1 h LYS 84 Cb 0.12 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1nn1 h LYS 84 CO -0.02 0.86 0.24 1.49 -0.57 0.00 0.00 179.45 181.45 1nn1 h GLU 85 N 0.98 0.62 -0.18 3.15 4.81 -0.95 -1.32 114.58 121.69 1nn1 h GLU 85 Ca 0.23 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1nn1 h GLU 85 Cb 0.22 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1nn1 h GLU 85 CO -0.02 0.50 0.05 0.87 -0.73 0.00 0.00 179.01 179.69 1nn1 h LYS 86 N 0.58 0.28 -0.84 1.92 1.79 -0.78 -2.11 116.57 117.40 1nn1 h LYS 86 Ca 0.16 -0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.58 1nn1 h LYS 86 Cb 0.06 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.63 1nn1 h LYS 86 CO -0.02 0.39 0.56 -0.07 -1.08 0.00 0.00 179.45 179.23 1nn1 h LEU 87 N 0.11 0.96 -1.64 2.94 3.38 -1.16 -1.46 115.31 118.43 1nn1 h LEU 87 Ca 0.06 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1nn1 h LEU 87 Cb 0.23 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1nn1 h LEU 87 CO -0.00 0.69 -0.20 0.77 0.09 0.00 0.00 178.44 179.79 1nn1 h SER 88 N 1.13 0.00 -0.03 -0.43 4.64 -0.94 0.15 113.55 118.07 1nn1 h SER 88 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1nn1 h SER 88 Cb -0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1nn1 h SER 88 CO -0.08 0.20 0.00 0.00 -0.87 0.00 0.00 176.83 176.08 1nn1 n GLN 89 N -3.87 1.28 -0.31 4.77 6.02 -0.79 -4.73 117.38 119.74 1nn1 n GLN 89 Ca -0.02 -0.41 0.00 0.00 -0.01 0.00 0.00 57.00 56.56 1nn1 n GLN 89 Cb 0.29 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.12 1nn1 n GLN 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nn1 n GLY 90 N 1.02 0.80 3.68 1.08 0.00 0.30 -4.92 105.19 107.15 1nn1 n GLY 90 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1nn1 n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nn1 s VAL 91 N -2.15 5.04 0.20 1.61 1.01 -0.62 -4.06 120.40 121.43 1nn1 s VAL 91 Ca 0.00 1.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.91 1nn1 s VAL 91 Cb 0.00 -3.95 -0.08 0.00 0.00 0.00 0.00 36.38 32.35 1nn1 s VAL 91 CO 0.00 0.16 0.90 -0.89 0.00 0.00 0.00 175.10 175.27 1nn1 s THR 92 N 1.53 4.20 -0.16 3.92 2.01 -0.11 -3.83 115.64 123.21 1nn1 s THR 92 Ca 0.30 1.99 -0.01 0.00 0.31 0.00 0.00 61.69 64.28 1nn1 s THR 92 Cb -0.16 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.06 1nn1 s THR 92 CO 0.12 0.48 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.66 1nn1 s LEU 93 N -1.01 2.76 -0.24 4.42 1.43 0.16 -1.20 118.68 125.00 1nn1 s LEU 93 Ca 0.40 -0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 53.08 1nn1 s LEU 93 Cb -0.25 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1nn1 s LEU 93 CO 0.30 0.11 0.08 -0.69 0.23 0.00 0.00 176.35 176.38 1nn1 s VAL 94 N 0.68 4.42 -0.16 -1.59 1.01 -0.41 -0.67 120.40 123.69 1nn1 s VAL 94 Ca -0.05 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1nn1 s VAL 94 Cb -0.15 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.18 1nn1 s VAL 94 CO 0.02 0.34 -0.20 -0.69 0.00 0.00 0.00 175.10 174.57 1nn1 s VAL 95 N 1.50 2.01 -0.89 2.92 1.01 0.98 -0.61 120.40 127.31 1nn1 s VAL 95 Ca 0.06 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 60.91 1nn1 s VAL 95 Cb -0.15 -1.80 0.12 0.00 0.00 0.00 0.00 36.38 34.54 1nn1 s VAL 95 CO 0.04 0.54 1.12 -0.62 0.00 0.00 0.00 175.10 176.17 1nn1 s ASP 96 N 1.09 6.56 0.00 3.32 2.15 -0.31 -0.51 116.67 128.97 1nn1 s ASP 96 Ca -0.01 -1.87 0.00 0.00 0.43 0.00 0.00 52.55 51.11 1nn1 s ASP 96 Cb -0.14 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 1nn1 s ASP 96 CO -0.08 -1.14 0.00 0.54 -0.17 0.00 0.00 175.17 174.33 1nn1 n ARG 97 N 6.81 0.00 0.00 4.34 1.74 -0.64 -1.44 116.66 127.47 1nn1 n ARG 97 Ca 0.20 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1nn1 n ARG 97 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 1nn1 n ARG 97 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1nn1 n TYR 98 N -1.10 0.00 0.25 -1.55 9.36 -1.26 -3.71 117.16 119.14 1nn1 n TYR 98 Ca 0.00 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.31 1nn1 n TYR 98 Cb 0.00 0.00 0.64 0.00 -0.63 0.00 0.00 39.34 39.35 1nn1 n TYR 98 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1nn1 h ALA 99 N 1.47 1.53 -0.20 2.98 0.00 -1.98 -2.77 119.26 120.29 1nn1 h ALA 99 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1nn1 h ALA 99 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1nn1 h ALA 99 CO 0.00 0.16 0.12 0.74 0.00 0.00 0.00 179.25 180.27 1nn1 h PHE 100 N 0.00 0.22 -0.93 0.00 -1.00 -1.99 0.06 116.94 113.30 1nn1 h PHE 100 Ca -0.00 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1nn1 h PHE 100 Cb 0.27 -0.07 -0.05 0.00 3.61 0.00 0.00 35.95 39.72 1nn1 h PHE 100 CO 0.00 0.14 0.56 0.77 -1.61 0.00 0.00 178.31 178.17 1nn1 h SER 101 N 0.25 1.12 -0.33 2.17 0.02 -1.89 0.49 113.55 115.37 1nn1 h SER 101 Ca 0.08 -0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1nn1 h SER 101 Cb -0.01 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.19 1nn1 h SER 101 CO -0.03 0.85 -0.05 1.23 -1.14 0.00 0.00 176.83 177.69 1nn1 h GLY 102 N 1.29 0.28 1.02 -3.77 0.00 -1.20 -1.21 103.07 99.47 1nn1 h GLY 102 Ca 0.33 0.08 -0.17 0.00 0.00 0.00 0.00 47.33 47.57 1nn1 h GLY 102 CO -0.06 -0.11 -0.56 -2.08 0.00 0.00 0.00 176.54 173.73 1nn1 h VAL 103 N 0.04 1.32 -0.70 4.60 2.07 -0.61 -2.84 116.25 120.11 1nn1 h VAL 103 Ca 0.16 -1.80 -0.06 0.00 0.82 0.00 0.00 66.70 65.82 1nn1 h VAL 103 Cb 0.24 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1nn1 h VAL 103 CO -0.31 0.56 0.22 0.00 0.02 0.00 0.00 177.57 178.06 1nn1 h ALA 104 N 0.56 0.92 -0.03 1.67 0.00 -0.73 0.16 119.26 121.81 1nn1 h ALA 104 Ca -0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1nn1 h ALA 104 Cb 1.19 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1nn1 h ALA 104 CO 0.12 0.60 -0.15 0.74 0.00 0.00 0.00 179.25 180.56 1nn1 h PHE 105 N 1.04 0.20 -0.26 0.00 -1.00 -1.31 -2.05 116.94 113.55 1nn1 h PHE 105 Ca 0.23 -0.09 -0.13 0.00 2.81 0.00 0.00 57.97 60.78 1nn1 h PHE 105 Cb 0.30 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 1nn1 h PHE 105 CO 0.02 0.80 -0.39 1.15 -1.61 0.00 0.00 178.31 178.29 1nn1 h THR 106 N -0.45 1.29 0.00 -1.55 2.02 -1.54 -2.91 112.91 109.77 1nn1 h THR 106 Ca -0.01 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.61 1nn1 h THR 106 Cb 0.83 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 1nn1 h THR 106 CO 0.03 0.50 0.00 1.23 0.37 0.00 0.00 175.52 177.65 1nn1 h GLY 107 N 1.02 0.00 2.00 2.16 0.00 -0.96 0.94 103.07 108.24 1nn1 h GLY 107 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1nn1 h GLY 107 CO 0.08 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.62 1nn1 n ALA 108 N -1.97 2.31 -2.25 3.60 0.00 -0.78 -4.79 120.51 116.64 1nn1 n ALA 108 Ca -0.01 -0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 1nn1 n ALA 108 Cb 0.15 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 1nn1 n ALA 108 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1nn1 s LYS 109 N -3.02 3.67 0.34 0.00 1.02 0.32 -4.89 119.74 117.18 1nn1 s LYS 109 Ca 0.13 0.31 -0.29 0.00 0.02 0.00 0.00 55.97 56.15 1nn1 s LYS 109 Cb 0.18 -2.41 -0.10 0.00 -0.52 0.00 0.00 37.83 34.98 1nn1 s LYS 109 CO 0.54 -0.08 1.33 -1.21 -0.92 0.00 0.00 175.35 175.00 1nn1 s GLU 110 N -4.20 4.33 -1.42 1.68 0.41 -1.26 -3.36 118.70 114.88 1nn1 s GLU 110 Ca 0.49 2.25 0.00 0.00 -0.41 0.00 0.00 54.97 57.30 1nn1 s GLU 110 Cb -0.10 -3.06 0.00 0.00 -1.78 0.00 0.00 34.13 29.19 1nn1 s GLU 110 CO 0.37 -0.22 0.00 0.09 -0.49 0.00 0.00 175.26 175.00 1nn1 n ASN 111 N 0.77 -4.92 -4.19 -0.19 4.13 -1.26 -5.01 115.26 104.59 1nn1 n ASN 111 Ca 0.00 -0.02 -0.35 0.00 1.68 0.00 0.00 54.58 55.89 1nn1 n ASN 111 Cb 0.41 -4.02 -0.13 0.00 -1.54 0.00 0.00 39.78 34.49 1nn1 n ASN 111 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1nn1 s PHE 112 N -2.83 3.25 0.49 3.10 0.40 -1.21 -5.11 117.98 116.07 1nn1 s PHE 112 Ca 0.00 -1.78 -0.20 0.00 -0.60 0.00 0.00 56.93 54.35 1nn1 s PHE 112 Cb 0.00 -2.13 -0.08 0.00 0.51 0.00 0.00 43.02 41.32 1nn1 s PHE 112 CO 0.00 -0.79 1.04 -1.54 0.70 0.00 0.00 175.22 174.63 1nn1 s SER 113 N 1.28 6.31 0.27 1.36 1.04 -1.26 -4.72 113.70 117.97 1nn1 s SER 113 Ca -0.04 1.92 -0.03 0.00 0.48 0.00 0.00 55.95 58.27 1nn1 s SER 113 Cb -0.20 -2.56 0.38 0.00 0.10 0.00 0.00 66.02 63.74 1nn1 s SER 113 CO -0.01 -0.80 1.91 0.25 0.98 0.00 0.00 173.24 175.57 1nn1 h LEU 114 N 1.49 1.06 0.15 2.42 5.85 -1.94 -1.47 115.31 122.87 1nn1 h LEU 114 Ca -0.49 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.23 1nn1 h LEU 114 Cb 1.22 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1nn1 h LEU 114 CO 0.59 0.72 -0.22 -0.78 -0.34 0.00 0.00 178.44 178.41 1nn1 h ASP 115 N 1.22 -0.61 -0.63 1.25 1.82 -2.00 -0.15 116.42 117.32 1nn1 h ASP 115 Ca 0.39 0.07 0.04 0.00 -0.39 0.00 0.00 57.03 57.14 1nn1 h ASP 115 Cb 0.02 0.23 -0.05 0.00 0.68 0.00 0.00 39.33 40.21 1nn1 h ASP 115 CO -0.12 -0.32 0.36 -0.25 -1.61 0.00 0.00 179.24 177.31 1nn1 h TRP 116 N -0.44 0.67 -0.29 0.28 7.01 -1.91 -2.14 115.95 119.14 1nn1 h TRP 116 Ca 0.02 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 1nn1 h TRP 116 Cb 0.44 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.27 1nn1 h TRP 116 CO -0.19 0.35 0.04 0.00 -2.79 0.00 0.00 178.44 175.85 1nn1 h LYS 118 N 0.41 0.05 -0.56 0.00 1.57 -0.36 -3.39 116.57 114.29 1nn1 h LYS 118 Ca 0.10 -0.05 0.11 0.00 -1.87 0.00 0.00 60.65 58.93 1nn1 h LYS 118 Cb 0.21 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.45 1nn1 h LYS 118 CO 0.00 0.80 0.06 1.96 -0.57 0.00 0.00 179.45 181.70 1nn1 h GLN 119 N 0.03 0.17 -0.79 3.15 1.08 -1.25 -2.12 115.11 115.39 1nn1 h GLN 119 Ca -0.01 -0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.29 1nn1 h GLN 119 Cb 1.36 -0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 28.69 1nn1 h GLN 119 CO 0.10 0.12 0.52 -1.35 -0.95 0.00 0.00 178.83 177.27 1nn1 h PRO 120 N 0.18 0.60 -0.01 1.46 0.11 -1.78 -1.61 132.00 130.95 1nn1 h PRO 120 Ca 0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1nn1 h PRO 120 Cb 0.43 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1nn1 h PRO 120 CO -0.42 0.39 -0.06 -0.25 -0.21 0.00 0.00 178.00 177.45 1nn1 n ASP 121 N -4.51 0.87 -4.73 -2.05 8.00 -0.81 -4.89 116.55 108.43 1nn1 n ASP 121 Ca 0.14 -1.08 -0.42 0.00 0.71 0.00 0.00 54.79 54.14 1nn1 n ASP 121 Cb 0.41 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.49 1nn1 n ASP 121 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1nn1 s VAL 122 N -2.19 2.07 0.00 2.53 1.01 -0.61 -2.03 120.40 121.18 1nn1 s VAL 122 Ca 0.36 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1nn1 s VAL 122 Cb 0.21 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1nn1 s VAL 122 CO 0.40 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1nn1 n GLY 123 N 3.21 2.07 3.66 4.51 0.00 0.23 -4.96 105.19 113.91 1nn1 n GLY 123 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1nn1 n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nn1 s LEU 124 N 0.00 2.28 -0.02 0.99 1.43 -0.86 -4.42 118.68 118.08 1nn1 s LEU 124 Ca 0.00 1.78 -0.36 0.00 -1.03 0.00 0.00 54.13 54.52 1nn1 s LEU 124 Cb 0.00 -4.12 -0.14 0.00 0.03 0.00 0.00 46.19 41.95 1nn1 s LEU 124 CO 0.00 -3.03 1.64 -2.65 0.23 0.00 0.00 176.35 172.55 1nn1 n PRO 125 N -4.16 1.71 -2.74 1.29 -0.02 -1.26 -0.12 135.00 129.69 1nn1 n PRO 125 Ca 0.08 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 1nn1 n PRO 125 Cb 0.54 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1nn1 n PRO 125 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1nn1 s LYS 126 N 2.26 4.33 0.47 -0.52 2.20 -0.16 -4.55 119.74 123.78 1nn1 s LYS 126 Ca 0.88 1.26 -0.24 0.00 -0.36 0.00 0.00 55.97 57.51 1nn1 s LYS 126 Cb -0.83 -3.58 -0.07 0.00 -1.51 0.00 0.00 37.83 31.83 1nn1 s LYS 126 CO 0.50 -0.41 1.40 -2.14 -0.36 0.00 0.00 175.35 174.34 1nn1 s PRO 127 N 2.41 3.58 0.27 4.03 0.02 -1.26 -4.42 135.00 139.63 1nn1 s PRO 127 Ca 0.44 2.35 0.17 0.00 0.02 0.00 0.00 61.00 63.98 1nn1 s PRO 127 Cb -0.17 -2.57 0.07 0.00 0.02 0.00 0.00 34.50 31.86 1nn1 s PRO 127 CO 0.13 -0.87 1.35 -0.44 -0.33 0.00 0.00 177.00 176.84 1nn1 h ASP 128 N 2.15 0.00 -3.32 2.53 3.32 -0.66 -3.44 116.42 117.00 1nn1 h ASP 128 Ca -0.51 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.36 1nn1 h ASP 128 Cb 1.27 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.53 1nn1 h ASP 128 CO 0.60 0.40 -0.47 -0.22 -1.72 0.00 0.00 179.24 177.84 1nn1 s LEU 129 N -6.25 0.34 -0.26 1.55 2.96 -1.09 -4.63 118.68 111.29 1nn1 s LEU 129 Ca 0.03 0.57 0.03 0.00 -0.22 0.00 0.00 54.13 54.54 1nn1 s LEU 129 Cb 0.07 0.80 0.06 0.00 0.50 0.00 0.00 46.19 47.63 1nn1 s LEU 129 CO 0.75 -0.17 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.82 1nn1 s VAL 130 N 1.31 2.16 -0.03 1.68 1.01 -0.39 -0.75 120.40 125.39 1nn1 s VAL 130 Ca -0.09 -1.68 -0.17 0.00 0.00 0.00 0.00 61.98 60.04 1nn1 s VAL 130 Cb -0.10 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 1nn1 s VAL 130 CO -0.09 -0.07 0.48 -0.76 0.00 0.00 0.00 175.10 174.66 1nn1 s LEU 131 N 1.09 4.41 -0.26 3.92 1.43 0.28 -0.92 118.68 128.64 1nn1 s LEU 131 Ca -0.08 0.99 0.02 0.00 -1.03 0.00 0.00 54.13 54.03 1nn1 s LEU 131 Cb -0.20 -2.71 0.05 0.00 0.03 0.00 0.00 46.19 43.36 1nn1 s LEU 131 CO -0.05 0.18 -0.10 0.12 0.23 0.00 0.00 176.35 176.73 1nn1 s PHE 132 N -0.42 3.21 -0.67 0.29 5.36 -0.05 -0.77 117.98 124.93 1nn1 s PHE 132 Ca 0.26 -2.16 -0.27 0.00 -0.96 0.00 0.00 56.93 53.79 1nn1 s PHE 132 Cb -0.17 -1.96 0.03 0.00 -0.34 0.00 0.00 43.02 40.58 1nn1 s PHE 132 CO 0.14 -0.86 1.29 -0.51 -1.46 0.00 0.00 175.22 173.83 1nn1 s LEU 133 N 1.15 3.28 -0.03 6.12 1.02 -0.52 -0.64 118.68 129.06 1nn1 s LEU 133 Ca -0.07 -0.16 -0.19 0.00 0.02 0.00 0.00 54.13 53.73 1nn1 s LEU 133 Cb -0.19 -2.80 -0.05 0.00 0.02 0.00 0.00 46.19 43.17 1nn1 s LEU 133 CO -0.05 -1.74 0.53 -1.58 0.02 0.00 0.00 176.35 173.53 1nn1 s GLN 134 N 5.53 4.25 -0.19 1.70 0.74 0.35 -4.49 119.66 127.57 1nn1 s GLN 134 Ca 0.41 0.61 -0.17 0.00 0.05 0.00 0.00 55.36 56.25 1nn1 s GLN 134 Cb -0.08 -3.34 0.05 0.00 1.10 0.00 0.00 33.01 30.73 1nn1 s GLN 134 CO 0.20 0.38 0.50 -1.17 -0.55 0.00 0.00 175.29 174.64 1nn1 s LEU 135 N -0.16 0.09 -0.19 3.68 2.96 -1.26 -0.87 118.68 122.92 1nn1 s LEU 135 Ca 0.28 1.01 -0.29 0.00 -0.22 0.00 0.00 54.13 54.91 1nn1 s LEU 135 Cb -0.17 1.71 -0.05 0.00 0.50 0.00 0.00 46.19 48.18 1nn1 s LEU 135 CO 0.15 -0.17 1.98 -1.10 -1.32 0.00 0.00 176.35 175.89 1nn1 s GLN 136 N 0.28 3.49 0.25 1.98 -1.52 -1.26 -4.80 119.66 118.07 1nn1 s GLN 136 Ca -0.00 1.97 0.18 0.00 -1.95 0.00 0.00 55.36 55.56 1nn1 s GLN 136 Cb -0.04 -4.24 0.85 0.00 -0.22 0.00 0.00 33.01 29.37 1nn1 s GLN 136 CO 0.01 -1.69 0.90 1.28 -0.25 0.00 0.00 175.29 175.53 1nn1 n LEU 137 N 10.04 0.13 -0.09 2.90 4.77 -1.26 0.29 117.00 133.78 1nn1 n LEU 137 Ca 0.25 0.81 -0.13 0.00 -0.03 0.00 0.00 56.01 56.90 1nn1 n LEU 137 Cb 0.45 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 1nn1 n LEU 137 CO 0.67 -0.88 0.58 0.00 -1.33 0.00 0.00 177.39 176.42 1nn1 h ALA 138 N 0.93 0.39 0.00 -1.18 0.00 -2.00 -2.52 119.26 114.88 1nn1 h ALA 138 Ca 0.50 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1nn1 h ALA 138 Cb 1.61 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 1nn1 h ALA 138 CO -0.28 0.38 -0.11 -0.44 0.00 0.00 0.00 179.25 178.80 1nn1 h ASP 139 N 0.37 0.00 1.58 0.00 3.45 0.40 -1.32 116.42 120.90 1nn1 h ASP 139 Ca 0.04 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.50 1nn1 h ASP 139 Cb 0.82 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.59 1nn1 h ASP 139 CO 0.06 0.11 0.00 0.00 -1.57 0.00 0.00 179.24 177.84 1nn1 h ALA 140 N 1.89 1.00 -0.00 3.45 0.00 -0.98 -2.60 119.26 122.02 1nn1 h ALA 140 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nn1 h ALA 140 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1nn1 h ALA 140 CO 0.01 0.00 -0.52 0.00 0.00 0.00 0.00 179.25 178.74 1nn1 n ALA 141 N -2.09 3.62 1.42 0.00 0.00 -0.53 -3.13 120.51 119.82 1nn1 n ALA 141 Ca 0.03 -0.38 0.14 0.00 0.00 0.00 0.00 53.44 53.22 1nn1 n ALA 141 Cb 0.43 -1.08 0.51 0.00 0.00 0.00 0.00 19.45 19.31 1nn1 n ALA 141 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1nn1 n LYS 142 N -1.40 1.19 -2.30 0.00 -0.00 -0.99 -4.12 118.16 110.55 1nn1 n LYS 142 Ca 0.06 -0.63 -0.41 0.00 -0.00 0.00 0.00 58.31 57.33 1nn1 n LYS 142 Cb 0.34 -1.49 0.00 0.00 -0.00 0.00 0.00 35.03 33.88 1nn1 n LYS 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1nn1 n ARG 143 N -0.36 4.35 0.00 -1.58 1.74 -1.18 -4.91 116.66 114.72 1nn1 n ARG 143 Ca 0.16 -3.74 0.00 0.00 -0.77 0.00 0.00 57.85 53.50 1nn1 n ARG 143 Cb 0.33 -2.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.07 1nn1 n ARG 143 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nn1 n GLY 144 N 1.84 1.54 3.60 -0.13 0.00 -1.26 -4.89 105.19 105.89 1nn1 n GLY 144 Ca 0.49 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1nn1 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nn1 s ALA 145 N -2.00 -0.33 0.31 4.61 0.00 -1.26 -4.89 121.76 118.20 1nn1 s ALA 145 Ca 0.00 -0.81 -0.29 0.00 0.00 0.00 0.00 51.96 50.86 1nn1 s ALA 145 Cb 0.00 1.04 -0.10 0.00 0.00 0.00 0.00 23.12 24.06 1nn1 s ALA 145 CO 0.00 -0.86 1.35 -0.06 0.00 0.00 0.00 175.76 176.18 1nn1 s PHE 146 N -4.00 3.02 0.00 0.00 2.99 -1.26 -5.02 117.98 113.70 1nn1 s PHE 146 Ca 0.21 1.31 0.00 0.00 0.00 0.00 0.00 56.93 58.45 1nn1 s PHE 146 Cb -0.01 -3.73 0.00 0.00 0.00 0.00 0.00 43.02 39.28 1nn1 s PHE 146 CO 0.08 -2.09 0.00 0.41 -0.00 0.00 0.00 175.22 173.62 1nn1 n GLY 147 N 1.14 -1.33 0.24 4.36 0.00 -1.26 -5.00 105.19 103.34 1nn1 n GLY 147 Ca 0.02 -1.51 0.02 0.00 0.00 0.00 0.00 46.02 44.55 1nn1 n GLY 147 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nn1 n HIS 148 N -0.23 0.18 -1.59 1.61 -0.00 -1.26 -4.94 115.22 108.99 1nn1 n HIS 148 Ca 0.00 -0.52 -0.30 0.00 -0.00 0.00 0.00 57.72 56.90 1nn1 n HIS 148 Cb 0.00 -0.05 0.09 0.00 -0.00 0.00 0.00 29.99 30.03 1nn1 n HIS 148 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1nn1 s GLU 149 N -1.10 1.99 0.77 -0.41 2.02 -1.26 -4.86 118.70 115.85 1nn1 s GLU 149 Ca 0.10 0.55 -0.15 0.00 0.02 0.00 0.00 54.97 55.48 1nn1 s GLU 149 Cb 0.06 -1.92 -0.01 0.00 0.10 0.00 0.00 34.13 32.36 1nn1 s GLU 149 CO 0.06 -1.66 0.59 -2.13 0.02 0.00 0.00 175.26 172.13 1nn1 n ARG 150 N -3.45 0.20 -0.36 1.61 3.00 -0.29 -2.67 116.66 114.71 1nn1 n ARG 150 Ca 0.07 0.12 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 1nn1 n ARG 150 Cb 0.57 -1.91 0.00 0.00 0.00 0.00 0.00 32.46 31.12 1nn1 n ARG 150 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1nn1 n TYR 151 N -2.68 0.00 -1.99 -0.14 0.53 -1.26 -4.87 117.16 106.75 1nn1 n TYR 151 Ca 0.10 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.56 1nn1 n TYR 151 Cb 0.51 -0.75 -0.00 0.00 -1.03 0.00 0.00 39.34 38.06 1nn1 n TYR 151 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 1nn1 n GLU 152 N -2.00 3.38 -3.73 -0.72 1.02 -1.09 -4.50 120.64 113.00 1nn1 n GLU 152 Ca 0.00 -3.05 -0.12 0.00 -0.02 0.00 0.00 57.16 53.98 1nn1 n GLU 152 Cb 0.00 -3.05 -0.07 0.00 -0.02 0.00 0.00 31.44 28.31 1nn1 n GLU 152 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nn1 s ASN 153 N 1.87 -0.16 0.18 1.62 2.20 -1.26 -4.81 114.94 114.58 1nn1 s ASN 153 Ca 0.46 -0.19 -0.13 0.00 -0.94 0.00 0.00 52.86 52.06 1nn1 s ASN 153 Cb 0.13 0.38 0.12 0.00 -2.00 0.00 0.00 41.25 39.88 1nn1 s ASN 153 CO -0.05 -0.66 1.80 1.23 -2.94 0.00 0.00 177.10 176.49 1nn1 h GLY 154 N 3.06 0.72 1.25 0.45 0.00 -2.00 -2.15 103.07 104.40 1nn1 h GLY 154 Ca -0.32 -0.20 -0.16 0.00 0.00 0.00 0.00 47.33 46.65 1nn1 h GLY 154 CO 0.46 0.15 -0.42 0.00 0.00 0.00 0.00 176.54 176.73 1nn1 h ALA 155 N 1.25 0.63 -0.40 3.60 0.00 -1.98 -2.32 119.26 120.04 1nn1 h ALA 155 Ca 0.22 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1nn1 h ALA 155 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1nn1 h ALA 155 CO -0.13 0.67 -0.26 0.35 0.00 0.00 0.00 179.25 179.88 1nn1 h PHE 156 N 0.66 0.98 -0.71 0.00 3.57 -1.84 -2.77 116.94 116.83 1nn1 h PHE 156 Ca 0.05 -0.24 -0.03 0.00 3.53 0.00 0.00 57.97 61.27 1nn1 h PHE 156 Cb 0.99 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 1nn1 h PHE 156 CO 0.06 1.02 0.33 1.96 -2.23 0.00 0.00 178.31 179.44 1nn1 h GLN 157 N 0.73 1.02 -0.65 1.11 1.08 -1.30 -0.40 115.11 116.70 1nn1 h GLN 157 Ca 0.09 -0.15 -0.08 0.00 -1.45 0.00 0.00 58.65 57.06 1nn1 h GLN 157 Cb 0.81 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 28.03 1nn1 h GLN 157 CO 0.07 0.80 0.11 1.49 -0.95 0.00 0.00 178.83 180.35 1nn1 h GLU 158 N 1.01 1.07 -0.11 1.46 4.57 -1.34 -0.38 114.58 120.86 1nn1 h GLU 158 Ca 0.24 -0.29 -0.14 0.00 -1.18 0.00 0.00 59.36 58.00 1nn1 h GLU 158 Cb 0.13 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1nn1 h GLU 158 CO -0.03 0.99 -0.53 0.00 -1.18 0.00 0.00 179.01 178.25 1nn1 h ARG 159 N 0.99 0.32 -0.52 1.92 3.08 -1.07 -2.27 114.38 116.83 1nn1 h ARG 159 Ca 0.20 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1nn1 h ARG 159 Cb 0.43 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1nn1 h ARG 159 CO 0.01 0.77 -0.01 0.00 -1.07 0.00 0.00 179.97 179.68 1nn1 h ALA 160 N 1.19 0.70 -0.74 0.04 0.00 -0.76 -2.74 119.26 116.95 1nn1 h ALA 160 Ca 0.01 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 54.72 1nn1 h ALA 160 Cb 1.02 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1nn1 h ALA 160 CO 0.09 0.52 0.38 1.25 0.00 0.00 0.00 179.25 181.49 1nn1 h LEU 161 N 0.79 0.50 -0.54 0.00 5.85 -0.95 0.10 115.31 121.06 1nn1 h LEU 161 Ca 0.15 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1nn1 h LEU 161 Cb 0.53 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1nn1 h LEU 161 CO 0.03 0.28 0.33 0.03 -0.34 0.00 0.00 178.44 178.76 1nn1 h ARG 162 N 0.63 0.63 -0.75 1.25 2.47 -1.14 -0.02 114.38 117.45 1nn1 h ARG 162 Ca 0.37 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 59.03 1nn1 h ARG 162 Cb 0.39 -0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 28.54 1nn1 h ARG 162 CO -0.27 0.42 0.40 0.00 0.56 0.00 0.00 179.97 181.08 1nn1 h PHE 164 N 1.04 0.51 -0.38 0.00 0.05 0.10 -1.16 116.94 117.09 1nn1 h PHE 164 Ca 0.26 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 62.07 1nn1 h PHE 164 Cb 0.05 -0.15 -0.02 0.00 2.00 0.00 0.00 35.95 37.83 1nn1 h PHE 164 CO 0.00 0.24 0.21 0.45 -0.18 0.00 0.00 178.31 179.04 1nn1 h HIS 165 N 0.53 0.50 -0.54 -0.55 3.86 -0.52 -1.94 115.15 116.50 1nn1 h HIS 165 Ca 0.24 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.34 1nn1 h HIS 165 Cb 0.14 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1nn1 h HIS 165 CO -0.10 0.35 -0.08 1.96 0.86 0.00 0.00 177.93 180.92 1nn1 h GLN 166 N 0.53 1.01 0.00 2.45 1.08 -0.43 -2.86 115.11 116.88 1nn1 h GLN 166 Ca 0.14 -0.36 -0.04 0.00 -1.45 0.00 0.00 58.65 56.93 1nn1 h GLN 166 Cb 0.01 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1nn1 h GLN 166 CO -0.02 1.05 -0.19 -0.07 -0.95 0.00 0.00 178.83 178.65 1nn1 h LEU 167 N 0.88 0.00 0.00 1.46 3.38 -0.53 -2.33 115.31 118.17 1nn1 h LEU 167 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1nn1 h LEU 167 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1nn1 h LEU 167 CO 0.04 0.19 0.00 0.23 0.09 0.00 0.00 178.44 178.99 1nn1 n MET 168 N -4.24 0.19 0.00 1.13 2.81 -0.91 -1.36 117.12 114.74 1nn1 n MET 168 Ca -0.02 0.10 0.14 0.00 -1.81 0.00 0.00 57.70 56.11 1nn1 n MET 168 Cb 0.25 -1.50 0.67 0.00 -0.71 0.00 0.00 33.22 31.93 1nn1 n MET 168 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1nn1 n LYS 169 N -1.37 0.43 -2.35 0.03 5.02 -0.87 -4.67 118.16 114.37 1nn1 n LYS 169 Ca 0.08 -0.07 -0.36 0.00 -2.02 0.00 0.00 58.31 55.94 1nn1 n LYS 169 Cb 0.20 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.68 1nn1 n LYS 169 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1nn1 s ASP 170 N -2.62 5.94 0.00 4.39 -1.08 -0.46 -4.81 116.67 118.03 1nn1 s ASP 170 Ca 0.26 -1.05 0.02 0.00 -0.52 0.00 0.00 52.55 51.25 1nn1 s ASP 170 Cb 0.20 -2.56 0.09 0.00 -1.46 0.00 0.00 42.92 39.18 1nn1 s ASP 170 CO 0.49 -2.01 1.05 0.35 0.52 0.00 0.00 175.17 175.57 1nn1 n THR 171 N 7.24 1.82 0.75 1.71 -2.24 -1.26 -1.67 114.28 120.63 1nn1 n THR 171 Ca 0.34 0.46 0.10 0.00 -2.27 0.00 0.00 64.05 62.67 1nn1 n THR 171 Cb 0.49 -1.42 0.46 0.00 -2.10 0.00 0.00 70.33 67.76 1nn1 n THR 171 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1nn1 n THR 172 N -1.49 0.54 -4.34 4.28 -2.24 -1.26 -4.79 114.28 104.98 1nn1 n THR 172 Ca 0.01 0.14 -0.31 0.00 -2.27 0.00 0.00 64.05 61.61 1nn1 n THR 172 Cb 0.02 -0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 67.38 1nn1 n THR 172 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1nn1 s LEU 173 N -2.95 3.19 -1.25 3.22 1.43 -0.67 -5.05 118.68 116.61 1nn1 s LEU 173 Ca 0.11 -0.21 -0.13 0.00 -1.03 0.00 0.00 54.13 52.87 1nn1 s LEU 173 Cb 0.14 -1.89 0.16 0.00 0.03 0.00 0.00 46.19 44.62 1nn1 s LEU 173 CO 0.37 0.24 1.62 -3.20 0.23 0.00 0.00 176.35 175.61 1nn1 n ASN 174 N 1.16 5.12 -4.74 2.29 5.15 -1.26 -4.98 115.26 117.98 1nn1 n ASN 174 Ca -0.14 -3.01 -0.41 0.00 -0.60 0.00 0.00 54.58 50.43 1nn1 n ASN 174 Cb 0.52 -1.56 -0.05 0.00 -0.53 0.00 0.00 39.78 38.16 1nn1 n ASN 174 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1nn1 s TRP 175 N 1.51 3.79 -0.07 1.20 0.52 -1.26 -1.26 118.94 123.37 1nn1 s TRP 175 Ca 0.43 1.78 0.00 0.00 0.02 0.00 0.00 56.10 58.33 1nn1 s TRP 175 Cb 0.02 -3.12 0.02 0.00 -1.15 0.00 0.00 33.47 29.25 1nn1 s TRP 175 CO 0.01 -0.01 -0.05 0.15 0.02 0.00 0.00 176.95 177.07 1nn1 s LYS 176 N -0.76 1.01 0.15 4.98 -0.14 -0.10 -4.94 119.74 119.94 1nn1 s LYS 176 Ca 0.45 -0.11 -0.29 0.00 -1.36 0.00 0.00 55.97 54.66 1nn1 s LYS 176 Cb -0.27 -1.09 -0.07 0.00 -1.68 0.00 0.00 37.83 34.72 1nn1 s LYS 176 CO 0.34 -0.17 0.93 -1.64 -0.76 0.00 0.00 175.35 174.05 1nn1 s MET 177 N 1.35 4.73 -0.04 1.68 -1.94 -1.26 -0.87 119.30 122.94 1nn1 s MET 177 Ca -0.04 1.42 0.06 0.00 -1.71 0.00 0.00 55.69 55.42 1nn1 s MET 177 Cb -0.14 -3.34 -0.01 0.00 2.01 0.00 0.00 34.83 33.36 1nn1 s MET 177 CO -0.03 0.34 -0.23 0.08 -0.01 0.00 0.00 175.02 175.17 1nn1 s VAL 178 N -0.47 1.88 -0.81 -6.03 1.01 0.19 -4.88 120.40 111.29 1nn1 s VAL 178 Ca 0.44 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 1nn1 s VAL 178 Cb -0.24 -1.59 0.09 0.00 0.00 0.00 0.00 36.38 34.65 1nn1 s VAL 178 CO 0.30 0.53 1.09 -0.62 0.00 0.00 0.00 175.10 176.40 1nn1 s ASP 179 N -0.24 6.39 0.00 3.32 2.15 -1.26 -0.49 116.67 126.54 1nn1 s ASP 179 Ca 0.00 -1.45 0.17 0.00 0.43 0.00 0.00 52.55 51.70 1nn1 s ASP 179 Cb -0.12 -2.43 1.03 0.00 -0.30 0.00 0.00 42.92 41.10 1nn1 s ASP 179 CO 0.02 -1.31 1.64 0.00 -0.17 0.00 0.00 175.17 175.36 1nn1 n ALA 180 N 7.40 2.57 0.88 3.66 0.00 -0.05 -3.42 120.51 131.55 1nn1 n ALA 180 Ca 0.12 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.58 1nn1 n ALA 180 Cb 0.48 -1.28 0.44 0.00 0.00 0.00 0.00 19.45 19.09 1nn1 n ALA 180 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nn1 n SER 181 N -0.78 0.36 -3.12 0.00 3.41 -1.25 -4.87 113.62 107.37 1nn1 n SER 181 Ca 0.13 0.30 -0.17 0.00 -0.26 0.00 0.00 58.87 58.87 1nn1 n SER 181 Cb 0.06 -0.31 0.13 0.00 -0.26 0.00 0.00 64.21 63.83 1nn1 n SER 181 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nn1 n LYS 182 N -1.72 -1.28 -1.04 4.33 5.02 -1.22 -5.01 118.16 117.24 1nn1 n LYS 182 Ca 0.06 -1.15 -0.30 0.00 -2.02 0.00 0.00 58.31 54.89 1nn1 n LYS 182 Cb 0.37 -0.86 0.14 0.00 -0.02 0.00 0.00 35.03 34.66 1nn1 n LYS 182 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1nn1 s SER 183 N -3.66 3.45 0.18 4.39 1.04 -1.26 -4.74 113.70 113.10 1nn1 s SER 183 Ca 0.44 1.77 -0.14 0.00 0.48 0.00 0.00 55.95 58.50 1nn1 s SER 183 Cb -0.02 -2.39 0.15 0.00 0.10 0.00 0.00 66.02 63.85 1nn1 s SER 183 CO 0.31 -2.70 1.74 0.40 0.98 0.00 0.00 173.24 173.98 1nn1 h ILE 184 N -1.59 0.82 -0.32 -1.02 2.04 -1.95 -0.33 117.51 115.17 1nn1 h ILE 184 Ca -0.47 -0.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.19 1nn1 h ILE 184 Cb 1.27 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 1nn1 h ILE 184 CO 0.50 0.06 -0.17 -0.08 0.00 0.00 0.00 178.15 178.45 1nn1 h GLU 185 N 0.31 0.59 -0.21 2.37 4.57 -1.99 -1.72 114.58 118.50 1nn1 h GLU 185 Ca 0.22 -0.20 -0.20 0.00 -1.18 0.00 0.00 59.36 58.01 1nn1 h GLU 185 Cb 0.24 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1nn1 h GLU 185 CO -0.24 0.73 -0.65 0.00 -1.18 0.00 0.00 179.01 177.67 1nn1 h ALA 186 N 1.29 0.46 -0.23 2.92 0.00 -1.73 -1.85 119.26 120.10 1nn1 h ALA 186 Ca 0.09 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1nn1 h ALA 186 Cb 0.60 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1nn1 h ALA 186 CO 0.04 0.69 0.06 0.28 0.00 0.00 0.00 179.25 180.32 1nn1 h VAL 187 N 0.56 1.20 -0.36 0.00 2.07 -1.08 -2.22 116.25 116.42 1nn1 h VAL 187 Ca -0.01 -0.66 0.07 0.00 0.82 0.00 0.00 66.70 66.92 1nn1 h VAL 187 Cb 1.25 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 32.15 1nn1 h VAL 187 CO 0.13 0.21 -0.07 -0.74 0.02 0.00 0.00 177.57 177.12 1nn1 h HIS 188 N 0.21 -0.16 -0.81 1.57 6.17 -1.23 -0.45 115.15 120.44 1nn1 h HIS 188 Ca 0.07 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.16 1nn1 h HIS 188 Cb 0.26 0.12 -0.04 0.00 2.52 0.00 0.00 27.41 30.28 1nn1 h HIS 188 CO 0.01 -0.14 0.42 1.49 0.71 0.00 0.00 177.93 180.42 1nn1 h GLU 189 N 0.02 1.15 -0.06 5.26 4.57 -1.20 0.23 114.58 124.55 1nn1 h GLU 189 Ca 0.17 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1nn1 h GLU 189 Cb 0.26 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1nn1 h GLU 189 CO -0.35 0.86 0.04 -0.44 -1.18 0.00 0.00 179.01 177.94 1nn1 h ASP 190 N 1.15 0.07 -0.66 1.04 3.32 -0.77 -2.30 116.42 118.27 1nn1 h ASP 190 Ca 0.28 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 1nn1 h ASP 190 Cb 0.07 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1nn1 h ASP 190 CO -0.04 0.06 0.35 0.40 -1.72 0.00 0.00 179.24 178.29 1nn1 h ILE 191 N 0.08 1.21 -0.25 0.35 2.04 -0.68 -2.37 117.51 117.89 1nn1 h ILE 191 Ca 0.02 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 1nn1 h ILE 191 Cb -0.00 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1nn1 h ILE 191 CO -0.00 0.23 0.14 -0.09 0.00 0.00 0.00 178.15 178.43 1nn1 h ARG 192 N 0.91 0.35 -0.67 2.37 2.43 -0.40 -0.26 114.38 119.11 1nn1 h ARG 192 Ca 0.23 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 1nn1 h ARG 192 Cb 0.06 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 1nn1 h ARG 192 CO -0.04 0.30 0.10 0.28 -1.51 0.00 0.00 179.97 179.11 1nn1 h VAL 193 N 0.30 1.26 -0.22 0.20 2.07 -1.34 -0.01 116.25 118.51 1nn1 h VAL 193 Ca 0.09 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.49 1nn1 h VAL 193 Cb 0.05 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1nn1 h VAL 193 CO -0.02 0.39 -0.17 -0.07 0.02 0.00 0.00 177.57 177.73 1nn1 h LEU 194 N 1.04 0.37 -0.11 2.57 3.38 -1.24 -2.35 115.31 118.98 1nn1 h LEU 194 Ca 0.20 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1nn1 h LEU 194 Cb 0.45 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1nn1 h LEU 194 CO 0.01 0.56 -0.13 0.28 0.09 0.00 0.00 178.44 179.25 1nn1 h SER 195 N 0.35 0.30 -0.90 -0.43 0.02 -0.63 -1.98 113.55 110.28 1nn1 h SER 195 Ca 0.06 -0.50 0.12 0.00 -0.84 0.00 0.00 61.79 60.63 1nn1 h SER 195 Cb 0.50 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.89 1nn1 h SER 195 CO 0.03 0.74 0.58 -0.33 -1.14 0.00 0.00 176.83 176.71 1nn1 h GLU 196 N -0.14 0.78 -0.25 3.45 4.39 -0.83 0.12 114.58 122.10 1nn1 h GLU 196 Ca 0.01 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1nn1 h GLU 196 Cb 0.67 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1nn1 h GLU 196 CO 0.03 0.52 0.10 -0.44 -1.16 0.00 0.00 179.01 178.06 1nn1 h ASP 197 N 0.80 0.35 -0.73 1.42 5.19 -1.28 -2.05 116.42 120.11 1nn1 h ASP 197 Ca 0.44 -0.17 -0.04 0.00 -0.62 0.00 0.00 57.03 56.64 1nn1 h ASP 197 Cb 0.57 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.96 1nn1 h ASP 197 CO -0.20 0.42 0.30 0.00 -3.12 0.00 0.00 179.24 176.64 1nn1 h ALA 198 N 0.94 0.95 -0.85 3.45 0.00 -0.56 -0.20 119.26 123.00 1nn1 h ALA 198 Ca 0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1nn1 h ALA 198 Cb 0.18 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1nn1 h ALA 198 CO -0.01 0.57 0.40 0.82 0.00 0.00 0.00 179.25 181.03 1nn1 h ILE 199 N 1.05 1.26 0.49 0.00 2.04 -0.61 0.52 117.51 122.26 1nn1 h ILE 199 Ca 0.25 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 1nn1 h ILE 199 Cb 0.20 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1nn1 h ILE 199 CO -0.02 0.32 -0.24 0.00 0.00 0.00 0.00 178.15 178.21 1nn1 h ALA 200 N 1.22 -0.78 0.00 1.87 0.00 -0.88 -3.39 119.26 117.29 1nn1 h ALA 200 Ca 0.29 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1nn1 h ALA 200 Cb 0.13 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1nn1 h ALA 200 CO -0.04 -0.73 -2.01 0.25 0.00 0.00 0.00 179.25 176.72 1nn1 n THR 201 N -4.65 0.40 0.69 0.00 -2.24 -0.13 -4.38 114.28 103.96 1nn1 n THR 201 Ca -0.08 -0.59 0.10 0.00 -2.27 0.00 0.00 64.05 61.20 1nn1 n THR 201 Cb 0.26 -0.15 0.43 0.00 -2.10 0.00 0.00 70.33 68.77 1nn1 n THR 201 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nn1 n ALA 202 N -2.37 1.93 0.96 6.98 0.00 0.17 -3.62 120.51 124.56 1nn1 n ALA 202 Ca -0.11 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.38 1nn1 n ALA 202 Cb 0.71 -1.33 0.02 0.00 0.00 0.00 0.00 19.45 18.86 1nn1 n ALA 202 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1nn1 n THR 203 N -1.53 0.00 1.01 0.00 -2.24 -1.23 -4.33 114.28 105.96 1nn1 n THR 203 Ca 0.05 -0.34 0.07 0.00 -2.27 0.00 0.00 64.05 61.56 1nn1 n THR 203 Cb 0.24 1.32 0.42 0.00 -2.10 0.00 0.00 70.33 70.20 1nn1 n THR 203 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1nn1 n GLU 204 N 0.35 0.50 -4.34 -0.78 0.28 -1.24 -4.63 120.64 110.78 1nn1 n GLU 204 Ca 0.10 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.84 1nn1 n GLU 204 Cb 0.49 -1.44 -0.13 0.00 1.43 0.00 0.00 31.44 31.79 1nn1 n GLU 204 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1nn1 s LYS 205 N -2.00 1.24 0.85 3.44 0.00 -1.26 -5.08 119.74 116.94 1nn1 s LYS 205 Ca 0.21 -1.22 -0.12 0.00 0.00 0.00 0.00 55.97 54.84 1nn1 s LYS 205 Cb 0.10 -1.59 0.11 0.00 0.00 0.00 0.00 37.83 36.45 1nn1 s LYS 205 CO 0.16 0.37 1.18 -2.14 0.00 0.00 0.00 175.35 174.93 1nn1 s PRO 206 N -1.93 1.37 0.16 1.78 0.02 -1.26 -4.93 135.00 130.21 1nn1 s PRO 206 Ca 0.09 1.68 -0.32 0.00 0.02 0.00 0.00 61.00 62.48 1nn1 s PRO 206 Cb -0.10 -1.75 -0.11 0.00 0.02 0.00 0.00 34.50 32.56 1nn1 s PRO 206 CO 0.05 -2.40 1.73 -1.17 -0.33 0.00 0.00 177.00 174.88 1nn1 s LEU 207 N -6.08 4.38 0.00 -5.54 2.96 -1.26 -4.99 118.68 108.15 1nn1 s LEU 207 Ca 0.71 2.77 -0.07 0.00 -0.22 0.00 0.00 54.13 57.32 1nn1 s LEU 207 Cb -0.26 -3.59 0.18 0.00 0.50 0.00 0.00 46.19 43.02 1nn1 s LEU 207 CO 0.54 -0.96 1.15 0.61 -1.32 0.00 0.00 176.35 176.37 1nn1 n GLY 208 N 4.04 -0.20 3.33 7.98 0.00 -1.26 -4.91 105.19 114.16 1nn1 n GLY 208 Ca 0.16 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 1nn1 n GLY 208 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nn1 s GLU 209 N -5.47 2.80 0.19 1.61 2.02 -1.26 -0.98 118.70 117.61 1nn1 s GLU 209 Ca 0.71 -0.80 -0.30 0.00 0.02 0.00 0.00 54.97 54.59 1nn1 s GLU 209 Cb -0.03 -2.34 -0.09 0.00 0.10 0.00 0.00 34.13 31.77 1nn1 s GLU 209 CO 0.48 0.37 1.33 -1.17 0.02 0.00 0.00 175.26 176.30 1nn1 s LEU 210 N -0.10 4.41 -1.43 1.80 2.96 0.83 -3.77 118.68 123.37 1nn1 s LEU 210 Ca -0.04 2.42 -0.09 0.00 -0.22 0.00 0.00 54.13 56.20 1nn1 s LEU 210 Cb -0.14 -3.61 0.05 0.00 0.50 0.00 0.00 46.19 42.99 1nn1 s LEU 210 CO 0.04 -0.56 0.65 0.79 -1.32 0.00 0.00 176.35 175.94 1nn1 n TRP 211 N 2.80 -1.99 -1.95 5.38 8.01 -1.26 -0.60 117.44 127.84 1nn1 n TRP 211 Ca 0.07 0.59 0.00 0.00 -1.31 0.00 0.00 57.50 56.85 1nn1 n TRP 211 Cb 0.42 -3.75 0.00 0.00 -2.01 0.00 0.00 31.31 25.97 1nn1 n TRP 211 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.69 177.04