#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nv3 n ALA 3 N 0.00 -3.64 0.02 4.61 0.00 -1.26 -4.59 120.51 115.65 2nv3 n ALA 3 Ca 0.00 0.46 -0.01 0.00 0.00 0.00 0.00 53.44 53.89 2nv3 n ALA 3 Cb 0.00 -1.26 -0.00 0.00 0.00 0.00 0.00 19.45 18.19 2nv3 n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nv3 h ARG 4 N -1.26 -0.05 -3.77 0.00 2.47 -2.06 -3.47 114.38 106.24 2nv3 h ARG 4 Ca 0.01 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.61 2nv3 h ARG 4 Cb 1.32 0.01 -0.18 0.00 -1.65 0.00 0.00 29.97 29.47 2nv3 h ARG 4 CO 0.01 -0.03 -0.50 0.00 0.56 0.00 0.00 179.97 180.01 2nv3 s ALA 5 N -3.10 -0.11 0.79 0.04 0.00 -1.26 -5.17 121.76 112.95 2nv3 s ALA 5 Ca -0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 2nv3 s ALA 5 Cb 0.00 0.26 0.05 0.00 0.00 0.00 0.00 23.12 23.43 2nv3 s ALA 5 CO 0.02 -0.33 0.34 -1.13 0.00 0.00 0.00 175.76 174.66 2nv3 n SER 6 N 0.75 0.17 0.00 0.00 3.41 -1.26 -5.09 113.62 111.60 2nv3 n SER 6 Ca -0.19 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 2nv3 n SER 6 Cb 0.59 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2nv3 n SER 6 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2nv3 n VAL 7 N -2.23 0.00 -0.04 -3.33 0.31 -1.26 -4.75 118.33 107.03 2nv3 n VAL 7 Ca 0.05 0.32 -0.11 0.00 -0.01 0.00 0.00 64.34 64.58 2nv3 n VAL 7 Cb 0.16 -1.29 -0.06 0.00 -0.91 0.00 0.00 33.84 31.75 2nv3 n VAL 7 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nv3 h ALA 8 N -2.00 0.20 -4.70 3.52 0.00 -1.98 -3.48 119.26 110.82 2nv3 h ALA 8 Ca 0.00 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.55 2nv3 h ALA 8 Cb 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 17.79 17.86 2nv3 h ALA 8 CO 0.00 -0.17 -0.58 0.45 0.00 0.00 0.00 179.25 178.95 2nv3 n SER 9 N -4.83 -3.22 0.00 0.00 2.88 -1.26 -4.46 113.62 102.73 2nv3 n SER 9 Ca -0.05 -0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.02 2nv3 n SER 9 Cb 0.15 -3.90 0.00 0.00 -0.75 0.00 0.00 64.21 59.72 2nv3 n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2nv3 n GLY 10 N -1.17 3.34 0.12 0.46 0.00 -1.26 -5.00 105.19 101.68 2nv3 n GLY 10 Ca -0.15 -0.48 -0.03 0.00 0.00 0.00 0.00 46.02 45.35 2nv3 n GLY 10 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2nv3 h GLY 11 N 0.00 -0.23 0.90 -0.02 0.00 -1.99 -3.22 103.07 98.51 2nv3 h GLY 11 Ca 0.00 0.09 0.09 0.00 0.00 0.00 0.00 47.33 47.51 2nv3 h GLY 11 CO 0.00 -0.08 0.49 0.83 0.00 0.00 0.00 176.54 177.78 2nv3 h GLU 12 N -0.95 0.64 -0.02 4.80 5.08 -1.94 -2.40 114.58 119.79 2nv3 h GLU 12 Ca -0.02 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2nv3 h GLU 12 Cb 0.17 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 2nv3 h GLU 12 CO 0.04 0.42 -0.29 1.25 -1.00 0.00 0.00 179.01 179.43 2nv3 h LEU 13 N 0.66 -0.86 -0.44 1.33 6.46 -1.96 1.00 115.31 121.50 2nv3 h LEU 13 Ca 0.34 0.12 0.08 0.00 -0.12 0.00 0.00 57.88 58.29 2nv3 h LEU 13 Cb 0.46 0.35 -0.07 0.00 -0.73 0.00 0.00 40.66 40.67 2nv3 h LEU 13 CO -0.12 -0.35 0.05 0.44 -0.62 0.00 0.00 178.44 177.84 2nv3 h ASP 14 N -0.42 -0.08 -0.54 1.25 3.32 -1.44 -0.61 116.42 117.89 2nv3 h ASP 14 Ca 0.07 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2nv3 h ASP 14 Cb 0.52 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 2nv3 h ASP 14 CO -0.26 -0.01 0.35 0.11 -1.72 0.00 0.00 179.24 177.71 2nv3 h LYS 15 N 0.17 0.73 0.41 3.56 1.57 -1.26 0.14 116.57 121.89 2nv3 h LYS 15 Ca 0.22 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2nv3 h LYS 15 Cb 0.29 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2nv3 h LYS 15 CO -0.32 0.50 -0.20 2.35 -0.57 0.00 0.00 179.45 181.21 2nv3 h TRP 16 N 0.75 -0.51 0.00 -1.35 2.91 0.70 -2.60 115.95 115.85 2nv3 h TRP 16 Ca 0.20 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.21 2nv3 h TRP 16 Cb -0.06 0.17 0.00 0.00 -0.51 0.00 0.00 29.16 28.76 2nv3 h TRP 16 CO 0.00 -0.32 0.00 0.93 -1.03 0.00 0.00 178.44 178.02 2nv3 h GLU 17 N -0.62 0.00 0.54 2.65 5.08 -1.29 -3.03 114.58 117.91 2nv3 h GLU 17 Ca -0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2nv3 h GLU 17 Cb 0.42 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.68 2nv3 h GLU 17 CO 0.09 0.00 -0.26 -0.22 -1.00 0.00 0.00 179.01 177.62 2nv3 h LYS 18 N 0.00 -0.70 -6.54 2.33 3.64 -0.52 -3.39 116.57 111.40 2nv3 h LYS 18 Ca 0.00 0.05 -0.59 0.00 -1.27 0.00 0.00 60.65 58.84 2nv3 h LYS 18 Cb 0.13 0.16 0.14 0.00 -0.41 0.00 0.00 32.23 32.25 2nv3 h LYS 18 CO 0.00 -0.47 -0.07 -0.89 -2.27 0.00 0.00 179.45 175.75 2nv3 n ILE 19 N -4.85 2.32 -2.84 2.00 5.41 -1.00 -4.87 119.36 115.53 2nv3 n ILE 19 Ca -0.09 -0.50 -0.22 0.00 1.00 0.00 0.00 62.75 62.94 2nv3 n ILE 19 Cb 0.29 -0.91 0.02 0.00 -0.71 0.00 0.00 39.64 38.33 2nv3 n ILE 19 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2nv3 s ARG 20 N -1.93 2.82 -0.11 0.38 0.52 -1.16 -2.88 118.95 116.59 2nv3 s ARG 20 Ca 0.65 -0.66 0.11 0.00 -0.52 0.00 0.00 55.73 55.30 2nv3 s ARG 20 Cb -0.56 -2.54 -0.24 0.00 0.52 0.00 0.00 34.95 32.14 2nv3 s ARG 20 CO 0.56 -0.46 0.39 1.28 0.02 0.00 0.00 175.30 177.09 2nv3 n LEU 21 N -2.18 1.05 -4.44 2.53 4.77 0.90 -2.38 117.00 117.25 2nv3 n LEU 21 Ca 0.05 0.23 -0.22 0.00 -0.03 0.00 0.00 56.01 56.03 2nv3 n LEU 21 Cb 0.59 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.57 2nv3 n LEU 21 CO 0.46 0.53 -0.44 -0.13 -1.33 0.00 0.00 177.39 176.48 2nv3 s ARG 22 N -2.56 1.57 0.05 3.23 0.52 -1.26 -4.08 118.95 116.43 2nv3 s ARG 22 Ca -0.11 -1.74 -0.19 0.00 -0.52 0.00 0.00 55.73 53.17 2nv3 s ARG 22 Cb 0.07 -1.48 -0.13 0.00 0.52 0.00 0.00 34.95 33.93 2nv3 s ARG 22 CO 0.80 0.22 1.36 -1.00 0.02 0.00 0.00 175.30 176.70 2nv3 h PRO 23 N 2.33 0.41 -1.24 3.54 0.13 -1.95 -3.33 132.00 131.88 2nv3 h PRO 23 Ca -0.40 -0.22 -0.59 0.00 -0.87 0.00 0.00 66.00 63.93 2nv3 h PRO 23 Cb 1.24 0.01 -0.41 0.00 0.13 0.00 0.00 31.00 31.97 2nv3 h PRO 23 CO 0.63 0.78 -0.62 0.41 -0.23 0.00 0.00 178.00 178.97 2nv3 n GLY 24 N 0.18 6.13 0.00 1.56 0.00 -1.26 -4.98 105.19 106.83 2nv3 n GLY 24 Ca -0.06 -2.70 0.00 0.00 0.00 0.00 0.00 46.02 43.26 2nv3 n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nv3 n GLY 25 N -0.58 4.62 0.00 -0.02 0.00 -1.25 -5.07 105.19 102.89 2nv3 n GLY 25 Ca 0.42 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2nv3 n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nv3 n LYS 26 N 0.00 0.84 -3.30 1.61 5.02 -1.26 -4.93 118.16 116.13 2nv3 n LYS 26 Ca 0.00 -0.79 -0.39 0.00 -2.02 0.00 0.00 58.31 55.12 2nv3 n LYS 26 Cb 0.00 -0.81 -0.06 0.00 -0.02 0.00 0.00 35.03 34.14 2nv3 n LYS 26 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2nv3 s LYS 27 N -0.36 4.17 0.34 1.97 1.02 -1.26 -5.01 119.74 120.61 2nv3 s LYS 27 Ca 0.00 0.68 0.01 0.00 0.02 0.00 0.00 55.97 56.68 2nv3 s LYS 27 Cb 0.00 -3.25 -0.00 0.00 -0.52 0.00 0.00 37.83 34.06 2nv3 s LYS 27 CO 0.00 0.62 0.03 0.00 -0.92 0.00 0.00 175.35 175.07 2nv3 n GLN 28 N 1.86 1.02 -2.95 1.68 -0.00 -1.26 -0.07 117.38 117.65 2nv3 n GLN 28 Ca -0.11 -2.59 -0.35 0.00 -0.00 0.00 0.00 57.00 53.96 2nv3 n GLN 28 Cb 0.51 0.86 -0.06 0.00 -0.00 0.00 0.00 30.24 31.55 2nv3 n GLN 28 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2nv3 s TYR 29 N -2.38 3.56 0.21 2.61 2.02 -1.14 -4.66 117.35 117.56 2nv3 s TYR 29 Ca 0.04 1.53 -0.05 0.00 -0.37 0.00 0.00 57.07 58.22 2nv3 s TYR 29 Cb 0.00 -2.74 -0.03 0.00 -0.40 0.00 0.00 41.96 38.79 2nv3 s TYR 29 CO 0.03 0.18 0.23 0.21 -1.57 0.00 0.00 175.55 174.63 2nv3 s LYS 30 N -2.38 1.30 0.37 -0.62 2.20 -1.26 -3.96 119.74 115.38 2nv3 s LYS 30 Ca 0.51 -1.51 0.15 0.00 -0.36 0.00 0.00 55.97 54.76 2nv3 s LYS 30 Cb -0.15 0.33 1.03 0.00 -1.51 0.00 0.00 37.83 37.53 2nv3 s LYS 30 CO 0.20 -0.46 1.76 -0.07 -0.36 0.00 0.00 175.35 176.41 2nv3 h LEU 31 N 2.51 0.53 -0.88 5.43 3.38 -2.00 -0.04 115.31 124.25 2nv3 h LEU 31 Ca -0.33 0.10 0.23 0.00 0.09 0.00 0.00 57.88 57.97 2nv3 h LEU 31 Cb 1.25 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.87 2nv3 h LEU 31 CO 0.48 0.09 0.12 0.11 0.09 0.00 0.00 178.44 179.33 2nv3 h LYS 32 N 0.46 0.11 -0.50 1.13 1.57 -1.99 0.36 116.57 117.72 2nv3 h LYS 32 Ca 0.61 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 59.26 2nv3 h LYS 32 Cb 1.41 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 2nv3 h LYS 32 CO -0.36 0.08 -0.18 0.45 -0.57 0.00 0.00 179.45 178.86 2nv3 h HIS 33 N 0.12 1.13 0.00 -1.35 3.86 -1.41 -2.68 115.15 114.82 2nv3 h HIS 33 Ca 0.53 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 2nv3 h HIS 33 Cb 1.05 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.25 2nv3 h HIS 33 CO -0.37 1.08 0.00 -0.89 0.86 0.00 0.00 177.93 178.61 2nv3 n ILE 34 N -4.12 0.00 -0.31 2.45 5.41 0.11 -2.24 119.36 120.66 2nv3 n ILE 34 Ca 0.01 1.06 0.24 0.00 1.00 0.00 0.00 62.75 65.06 2nv3 n ILE 34 Cb 0.44 -2.05 0.46 0.00 -0.71 0.00 0.00 39.64 37.78 2nv3 n ILE 34 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2nv3 n VAL 35 N -1.94 -0.39 -0.12 1.39 0.31 0.03 0.14 118.33 117.74 2nv3 n VAL 35 Ca 0.00 1.94 -0.09 0.00 -0.01 0.00 0.00 64.34 66.18 2nv3 n VAL 35 Cb 0.00 -3.04 -0.01 0.00 -0.91 0.00 0.00 33.84 29.88 2nv3 n VAL 35 CO 0.00 0.00 0.00 -0.25 -1.32 0.00 0.00 176.83 175.26 2nv3 h TRP 36 N 0.00 0.51 0.11 3.52 7.01 -1.52 -2.02 115.95 123.56 2nv3 h TRP 36 Ca 0.71 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.69 2nv3 h TRP 36 Cb 1.78 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 28.68 2nv3 h TRP 36 CO -0.16 0.42 -0.05 0.00 -2.79 0.00 0.00 178.44 175.86 2nv3 h ALA 37 N 1.04 -0.15 -1.15 2.65 0.00 0.17 -2.20 119.26 119.62 2nv3 h ALA 37 Ca 0.12 -0.26 0.32 0.00 0.00 0.00 0.00 54.91 55.10 2nv3 h ALA 37 Cb 0.10 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 2nv3 h ALA 37 CO -0.02 -0.26 0.78 1.03 0.00 0.00 0.00 179.25 180.78 2nv3 h SER 38 N -0.79 0.24 0.02 0.00 0.87 -0.13 0.35 113.55 114.11 2nv3 h SER 38 Ca -0.02 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 2nv3 h SER 38 Cb 0.56 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2nv3 h SER 38 CO 0.02 0.02 -0.20 -0.09 -0.53 0.00 0.00 176.83 176.06 2nv3 h ARG 39 N 0.20 0.09 -0.63 2.24 2.43 -1.37 -3.29 114.38 114.06 2nv3 h ARG 39 Ca 0.62 -0.13 0.13 0.00 -0.81 0.00 0.00 59.98 59.79 2nv3 h ARG 39 Cb 1.98 0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 31.47 2nv3 h ARG 39 CO -0.20 0.99 0.02 1.49 -1.51 0.00 0.00 179.97 180.76 2nv3 h GLU 40 N -0.74 0.13 -0.61 0.20 4.22 -0.31 -0.54 114.58 116.93 2nv3 h GLU 40 Ca -0.03 -0.01 0.12 0.00 0.08 0.00 0.00 59.36 59.52 2nv3 h GLU 40 Cb 1.07 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.20 2nv3 h GLU 40 CO 0.04 0.09 0.11 -0.07 -2.18 0.00 0.00 179.01 177.00 2nv3 h LEU 41 N 0.14 -0.04 -1.87 1.64 3.38 -1.37 0.40 115.31 117.59 2nv3 h LEU 41 Ca 0.33 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.49 2nv3 h LEU 41 Cb 0.54 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2nv3 h LEU 41 CO -0.52 -0.01 0.45 -0.08 0.09 0.00 0.00 178.44 178.37 2nv3 h GLU 42 N 0.24 0.00 0.00 1.13 4.81 -0.20 0.33 114.58 120.89 2nv3 h GLU 42 Ca 0.32 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.27 2nv3 h GLU 42 Cb 0.50 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 2nv3 h GLU 42 CO -0.43 0.00 -2.16 -2.13 -0.73 0.00 0.00 179.01 173.56 2nv3 n ARG 43 N -3.31 0.67 -0.24 1.92 0.63 0.12 -4.20 116.66 112.25 2nv3 n ARG 43 Ca 0.04 0.02 -0.01 0.00 -0.92 0.00 0.00 57.85 56.98 2nv3 n ARG 43 Cb 0.58 -1.58 0.07 0.00 0.45 0.00 0.00 32.46 31.98 2nv3 n ARG 43 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2nv3 n PHE 44 N -2.72 0.57 -1.21 -0.14 3.01 0.82 -4.79 117.46 112.99 2nv3 n PHE 44 Ca -0.24 -0.42 -0.07 0.00 1.01 0.00 0.00 57.45 57.72 2nv3 n PHE 44 Cb 1.03 -0.28 -0.03 0.00 -0.01 0.00 0.00 39.48 40.18 2nv3 n PHE 44 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2nv3 n ALA 45 N 0.14 -0.11 -2.57 4.37 0.00 -1.02 -4.98 120.51 116.34 2nv3 n ALA 45 Ca 0.09 0.12 -0.25 0.00 0.00 0.00 0.00 53.44 53.40 2nv3 n ALA 45 Cb 0.59 -1.31 -0.09 0.00 0.00 0.00 0.00 19.45 18.64 2nv3 n ALA 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2nv3 s VAL 46 N -1.92 3.12 -0.02 0.00 1.01 0.74 -5.01 120.40 118.32 2nv3 s VAL 46 Ca 0.00 -1.91 -0.02 0.00 0.00 0.00 0.00 61.98 60.04 2nv3 s VAL 46 Cb 0.00 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 2nv3 s VAL 46 CO 0.00 -0.27 0.13 0.20 0.00 0.00 0.00 175.10 175.17 2nv3 s ASN 47 N -3.28 6.07 0.00 3.32 0.01 -1.26 -1.71 114.94 118.08 2nv3 s ASN 47 Ca 0.28 0.27 0.15 0.00 -0.71 0.00 0.00 52.86 52.85 2nv3 s ASN 47 Cb -0.07 -1.85 0.74 0.00 0.41 0.00 0.00 41.25 40.48 2nv3 s ASN 47 CO 0.17 0.29 1.41 -0.81 -1.51 0.00 0.00 177.10 176.64 2nv3 n PRO 48 N 1.18 0.19 0.12 -0.60 -0.04 -1.26 -2.41 135.00 132.19 2nv3 n PRO 48 Ca -0.13 0.15 0.13 0.00 -0.04 0.00 0.00 63.50 63.61 2nv3 n PRO 48 Cb 0.53 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.77 2nv3 n PRO 48 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2nv3 h GLY 49 N 2.45 0.00 2.00 0.55 0.00 -1.94 -3.22 103.07 102.91 2nv3 h GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2nv3 h GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 2nv3 n LEU 50 N -2.46 0.27 0.01 3.11 4.77 -1.01 -1.61 117.00 120.07 2nv3 n LEU 50 Ca 0.04 0.57 0.11 0.00 -0.03 0.00 0.00 56.01 56.71 2nv3 n LEU 50 Cb 0.46 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2nv3 n LEU 50 CO 0.33 -0.42 0.04 0.18 -1.33 0.00 0.00 177.39 176.19 2nv3 n LEU 51 N -1.80 0.73 -0.09 2.23 4.77 -1.22 -0.93 117.00 120.68 2nv3 n LEU 51 Ca 0.02 -0.23 -0.08 0.00 -0.03 0.00 0.00 56.01 55.69 2nv3 n LEU 51 Cb 0.17 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.25 2nv3 n LEU 51 CO 0.14 0.16 0.70 -0.08 -1.33 0.00 0.00 177.39 176.97 2nv3 h GLU 52 N 0.00 0.80 -5.63 3.23 4.81 -1.47 -3.43 114.58 112.90 2nv3 h GLU 52 Ca 0.00 -0.33 -0.67 0.00 -0.13 0.00 0.00 59.36 58.23 2nv3 h GLU 52 Cb 0.58 -0.03 -0.26 0.00 0.63 0.00 0.00 28.75 29.67 2nv3 h GLU 52 CO 0.00 0.95 -0.78 0.95 -0.73 0.00 0.00 179.01 179.40 2nv3 s THR 53 N -4.60 2.98 0.42 0.32 -4.23 -1.26 -4.93 115.64 104.34 2nv3 s THR 53 Ca -0.10 -0.71 0.22 0.00 -1.18 0.00 0.00 61.69 59.93 2nv3 s THR 53 Cb 0.13 -2.22 0.42 0.00 1.34 0.00 0.00 72.50 72.18 2nv3 s THR 53 CO 0.84 0.55 1.75 0.77 -0.54 0.00 0.00 174.62 177.99 2nv3 h SER 54 N 6.30 0.36 -0.61 3.99 4.64 -1.86 0.30 113.55 126.67 2nv3 h SER 54 Ca -0.31 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 2nv3 h SER 54 Cb 1.20 0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.29 2nv3 h SER 54 CO 0.53 0.03 0.36 -0.33 -0.87 0.00 0.00 176.83 176.55 2nv3 h GLU 55 N 0.30 0.83 -0.68 4.77 5.08 -1.94 -2.77 114.58 120.17 2nv3 h GLU 55 Ca 0.63 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.95 2nv3 h GLU 55 Cb 1.76 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.79 2nv3 h GLU 55 CO -0.28 0.61 0.41 0.78 -1.00 0.00 0.00 179.01 179.53 2nv3 h GLY 56 N 0.82 0.99 0.65 -3.84 0.00 -0.48 -2.57 103.07 98.64 2nv3 h GLY 56 Ca 0.22 -0.30 0.05 0.00 0.00 0.00 0.00 47.33 47.30 2nv3 h GLY 56 CO -0.04 0.22 0.14 0.00 0.00 0.00 0.00 176.54 176.86 2nv3 h ARG 58 N 0.30 0.37 -0.23 0.00 2.43 -1.27 0.33 114.38 116.32 2nv3 h ARG 58 Ca 0.18 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.18 2nv3 h ARG 58 Cb 0.17 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2nv3 h ARG 58 CO -0.19 0.25 -0.44 1.96 -1.51 0.00 0.00 179.97 180.04 2nv3 h GLN 59 N 0.38 0.70 0.82 0.20 1.08 -1.33 -2.25 115.11 114.72 2nv3 h GLN 59 Ca 0.69 -0.45 -0.04 0.00 -1.45 0.00 0.00 58.65 57.40 2nv3 h GLN 59 Cb 1.50 0.06 0.01 0.00 -0.05 0.00 0.00 27.48 28.99 2nv3 h GLN 59 CO -0.57 1.07 -0.39 0.82 -0.95 0.00 0.00 178.83 178.80 2nv3 h ILE 60 N 0.41 0.19 -0.76 2.54 2.04 -0.01 0.12 117.51 122.04 2nv3 h ILE 60 Ca 0.01 -0.02 0.09 0.00 1.00 0.00 0.00 64.86 65.93 2nv3 h ILE 60 Cb 1.05 0.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.25 2nv3 h ILE 60 CO 0.10 0.00 0.41 -0.07 0.00 0.00 0.00 178.15 178.59 2nv3 h LEU 61 N -1.12 0.57 -1.37 1.44 3.38 -1.04 -0.53 115.31 116.65 2nv3 h LEU 61 Ca -0.11 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2nv3 h LEU 61 Cb 0.84 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2nv3 h LEU 61 CO 0.18 0.33 -0.15 1.23 0.09 0.00 0.00 178.44 180.13 2nv3 h GLY 62 N 0.70 0.25 0.56 0.83 0.00 -1.26 0.31 103.07 104.46 2nv3 h GLY 62 Ca 0.36 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 2nv3 h GLY 62 CO -0.25 0.15 -0.19 1.46 0.00 0.00 0.00 176.54 177.71 2nv3 h GLN 63 N 0.22 0.22 0.00 4.80 1.08 0.47 -3.18 115.11 118.72 2nv3 h GLN 63 Ca 0.04 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 2nv3 h GLN 63 Cb 0.40 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 2nv3 h GLN 63 CO 0.02 0.81 0.00 1.28 -0.95 0.00 0.00 178.83 180.00 2nv3 n LEU 64 N -4.56 0.67 0.23 1.46 4.77 -0.35 -3.87 117.00 115.35 2nv3 n LEU 64 Ca -0.08 0.58 -0.17 0.00 -0.03 0.00 0.00 56.01 56.31 2nv3 n LEU 64 Cb 0.43 -0.40 -0.09 0.00 -2.33 0.00 0.00 43.42 41.03 2nv3 n LEU 64 CO 0.39 -0.24 0.52 -0.61 -1.33 0.00 0.00 177.39 176.11 2nv3 h GLN 65 N 0.00 -0.86 0.00 3.23 4.15 -0.36 0.18 115.11 121.45 2nv3 h GLN 65 Ca 0.00 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2nv3 h GLN 65 Cb 0.62 0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.50 2nv3 h GLN 65 CO 0.00 -0.57 0.00 -0.35 -1.93 0.00 0.00 178.83 175.98 2nv3 n PRO 66 N -5.35 0.36 -0.00 -2.39 -0.04 -1.25 -1.86 135.00 124.46 2nv3 n PRO 66 Ca -0.10 0.07 0.08 0.00 -0.04 0.00 0.00 63.50 63.51 2nv3 n PRO 66 Cb 0.43 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.28 2nv3 n PRO 66 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2nv3 n SER 67 N -1.13 0.84 0.28 3.54 7.64 -0.43 -4.35 113.62 120.00 2nv3 n SER 67 Ca 0.09 -0.82 0.16 0.00 1.01 0.00 0.00 58.87 59.31 2nv3 n SER 67 Cb 0.08 1.09 0.84 0.00 -1.01 0.00 0.00 64.21 65.21 2nv3 n SER 67 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2nv3 h LEU 68 N 0.00 0.00 0.08 -3.43 3.38 -0.27 -1.15 115.31 113.92 2nv3 h LEU 68 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 2nv3 h LEU 68 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2nv3 h LEU 68 CO 0.00 0.00 -1.53 -0.61 0.09 0.00 0.00 178.44 176.39 2nv3 h GLN 69 N 0.00 0.17 -1.16 1.13 -0.00 -1.79 -3.36 115.11 110.10 2nv3 h GLN 69 Ca 0.00 -0.29 -0.43 0.00 -0.00 0.00 0.00 58.65 57.93 2nv3 h GLN 69 Cb 0.32 0.11 -0.21 0.00 0.00 0.00 0.00 27.48 27.70 2nv3 h GLN 69 CO 0.00 1.14 0.55 0.25 0.00 0.00 0.00 178.83 180.77 2nv3 n THR 70 N -3.95 2.88 -3.78 2.39 -2.24 -0.52 -4.89 114.28 104.17 2nv3 n THR 70 Ca -0.29 -1.82 -0.13 0.00 -2.27 0.00 0.00 64.05 59.54 2nv3 n THR 70 Cb 0.87 -0.97 -0.09 0.00 -2.10 0.00 0.00 70.33 68.05 2nv3 n THR 70 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2nv3 s GLY 71 N -0.66 -0.12 0.00 3.38 0.00 -0.69 -5.03 107.32 104.20 2nv3 s GLY 71 Ca 0.43 0.24 0.00 0.00 0.00 0.00 0.00 44.72 45.40 2nv3 s GLY 71 CO 0.03 0.05 0.00 1.44 0.00 0.00 0.00 173.10 174.62 2nv3 n SER 72 N 1.31 0.00 0.01 1.64 7.64 -1.26 -4.84 113.62 118.12 2nv3 n SER 72 Ca -0.22 -0.25 0.03 0.00 1.01 0.00 0.00 58.87 59.44 2nv3 n SER 72 Cb 0.56 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.89 2nv3 n SER 72 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2nv3 n GLU 73 N -0.25 0.01 0.28 1.43 4.71 -1.26 -1.86 120.64 123.70 2nv3 n GLU 73 Ca 0.00 0.44 0.14 0.00 -0.01 0.00 0.00 57.16 57.74 2nv3 n GLU 73 Cb 0.00 -1.54 0.81 0.00 -1.01 0.00 0.00 31.44 29.70 2nv3 n GLU 73 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2nv3 h GLU 74 N 0.00 0.00 0.00 3.49 3.07 -2.01 -1.87 114.58 117.26 2nv3 h GLU 74 Ca 0.00 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.66 2nv3 h GLU 74 Cb 0.07 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 2nv3 h GLU 74 CO 0.00 0.07 -1.69 1.28 -1.40 0.00 0.00 179.01 177.27 2nv3 n LEU 75 N -3.65 0.61 0.20 1.33 4.32 -0.78 -3.85 117.00 115.19 2nv3 n LEU 75 Ca -0.02 0.27 0.08 0.00 -0.02 0.00 0.00 56.01 56.32 2nv3 n LEU 75 Cb 0.18 0.16 0.33 0.00 -1.62 0.00 0.00 43.42 42.47 2nv3 n LEU 75 CO 0.28 0.23 0.71 0.03 -1.22 0.00 0.00 177.39 177.43 2nv3 h ARG 76 N 0.00 0.00 0.02 3.23 3.08 -1.49 -2.56 114.38 116.66 2nv3 h ARG 76 Ca -0.24 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.73 2nv3 h ARG 76 Cb 1.71 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.76 2nv3 h ARG 76 CO 0.04 0.29 -0.36 0.77 -1.07 0.00 0.00 179.97 179.64 2nv3 h SER 77 N 0.00 0.28 0.45 7.04 0.02 -1.50 -2.90 113.55 116.94 2nv3 h SER 77 Ca -0.00 -0.83 -0.02 0.00 -0.84 0.00 0.00 61.79 60.10 2nv3 h SER 77 Cb 0.93 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2nv3 h SER 77 CO 0.04 1.08 -0.22 -0.07 -1.14 0.00 0.00 176.83 176.52 2nv3 h LEU 78 N -0.48 -0.52 -0.64 5.07 -0.00 -1.66 -2.72 115.31 114.36 2nv3 h LEU 78 Ca -0.05 -0.07 0.13 0.00 -0.00 0.00 0.00 57.88 57.89 2nv3 h LEU 78 Cb 1.15 0.13 -0.10 0.00 -0.00 0.00 0.00 40.66 41.85 2nv3 h LEU 78 CO 0.07 -0.23 0.10 0.22 -0.00 0.00 0.00 178.44 178.60 2nv3 h TYR 79 N -0.81 0.14 -0.10 1.13 5.03 -1.61 -0.14 116.97 120.62 2nv3 h TYR 79 Ca -0.06 0.04 0.04 0.00 2.58 0.00 0.00 58.73 61.33 2nv3 h TYR 79 Cb 0.56 0.04 -0.06 0.00 1.55 0.00 0.00 36.73 38.82 2nv3 h TYR 79 CO -0.00 -0.09 -0.30 -0.91 -1.32 0.00 0.00 178.16 175.54 2nv3 h ASN 80 N 0.21 -0.92 0.20 -2.11 4.21 -1.46 0.16 115.58 115.87 2nv3 h ASN 80 Ca 0.34 0.13 -0.01 0.00 1.21 0.00 0.00 56.30 57.98 2nv3 h ASN 80 Cb 0.55 0.39 0.00 0.00 -1.12 0.00 0.00 38.32 38.14 2nv3 h ASN 80 CO -0.47 -0.35 -0.09 0.74 -1.29 0.00 0.00 177.43 175.97 2nv3 h THR 81 N -0.39 0.00 -1.01 2.81 2.02 -1.00 -2.71 112.91 112.63 2nv3 h THR 81 Ca 0.09 -0.01 0.39 0.00 0.77 0.00 0.00 66.41 67.65 2nv3 h THR 81 Cb 0.52 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.77 2nv3 h THR 81 CO -0.32 0.00 0.56 0.40 0.37 0.00 0.00 175.52 176.53 2nv3 h ILE 82 N -0.27 0.10 -0.57 3.11 2.04 -1.05 0.77 117.51 121.64 2nv3 h ILE 82 Ca -0.03 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 65.84 2nv3 h ILE 82 Cb 0.20 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.22 2nv3 h ILE 82 CO 0.04 0.02 0.32 0.00 0.00 0.00 0.00 178.15 178.53 2nv3 h ALA 83 N 1.94 0.74 0.37 1.87 0.00 -0.54 -1.92 119.26 121.73 2nv3 h ALA 83 Ca 0.81 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.71 2nv3 h ALA 83 Cb 2.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.75 2nv3 h ALA 83 CO -0.71 0.01 -0.19 0.28 0.00 0.00 0.00 179.25 178.64 2nv3 h VAL 84 N 0.62 0.00 -0.98 0.00 2.07 0.88 -2.92 116.25 115.92 2nv3 h VAL 84 Ca 0.24 0.00 0.33 0.00 0.82 0.00 0.00 66.70 68.10 2nv3 h VAL 84 Cb 0.10 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.71 2nv3 h VAL 84 CO -0.14 0.00 0.46 0.25 0.02 0.00 0.00 177.57 178.16 2nv3 h LEU 85 N -0.51 0.28 -0.50 2.57 5.85 -1.48 0.24 115.31 121.76 2nv3 h LEU 85 Ca -0.05 0.22 0.10 0.00 0.84 0.00 0.00 57.88 58.99 2nv3 h LEU 85 Cb 0.39 0.23 -0.10 0.00 0.37 0.00 0.00 40.66 41.56 2nv3 h LEU 85 CO 0.08 -0.25 -0.19 0.22 -0.34 0.00 0.00 178.44 177.96 2nv3 h TYR 86 N 0.18 -0.46 -0.14 1.25 3.20 -1.16 -1.21 116.97 118.63 2nv3 h TYR 86 Ca 0.73 0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.67 2nv3 h TYR 86 Cb 1.72 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 40.25 2nv3 h TYR 86 CO -0.10 -0.28 0.01 0.00 -1.64 0.00 0.00 178.16 176.15 2nv3 h VAL 88 N 0.06 0.63 0.07 0.00 2.07 -1.06 0.21 116.25 118.24 2nv3 h VAL 88 Ca 0.07 -0.14 -0.26 0.00 0.82 0.00 0.00 66.70 67.19 2nv3 h VAL 88 Cb 0.07 0.20 0.02 0.00 -1.52 0.00 0.00 31.29 30.07 2nv3 h VAL 88 CO -0.10 0.07 -1.07 0.45 0.02 0.00 0.00 177.57 176.94 2nv3 h HIS 89 N 0.40 0.95 0.00 1.57 -0.00 -0.47 -3.20 115.15 114.40 2nv3 h HIS 89 Ca 0.50 -0.56 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 2nv3 h HIS 89 Cb 1.28 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 2nv3 h HIS 89 CO -0.00 1.40 0.00 0.94 -0.00 0.00 0.00 177.93 180.27 2nv3 n GLN 90 N -3.89 0.88 -3.03 2.45 -0.06 -0.24 -4.77 117.38 108.72 2nv3 n GLN 90 Ca -0.12 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.75 2nv3 n GLN 90 Cb 0.90 -1.29 0.06 0.00 -4.06 0.00 0.00 30.24 25.86 2nv3 n GLN 90 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2nv3 n ARG 91 N 0.26 -4.72 -4.63 3.69 0.63 -1.08 -5.03 116.66 105.78 2nv3 n ARG 91 Ca 0.00 0.61 -0.24 0.00 -0.92 0.00 0.00 57.85 57.30 2nv3 n ARG 91 Cb 0.31 -4.93 -0.16 0.00 0.45 0.00 0.00 32.46 28.13 2nv3 n ARG 91 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2nv3 s ILE 92 N -3.26 1.15 -0.45 5.15 1.01 0.58 -5.00 121.20 120.39 2nv3 s ILE 92 Ca 0.01 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.17 2nv3 s ILE 92 Cb -0.00 -1.02 0.42 0.00 0.01 0.00 0.00 42.46 41.87 2nv3 s ILE 92 CO 0.53 0.35 1.10 0.47 0.00 0.00 0.00 174.94 177.39 2nv3 n ASP 93 N 3.39 4.70 -3.82 3.58 9.92 -1.26 -2.90 116.55 130.17 2nv3 n ASP 93 Ca -0.20 -3.72 -0.35 0.00 -0.53 0.00 0.00 54.79 50.00 2nv3 n ASP 93 Cb 0.53 -0.47 0.02 0.00 -0.64 0.00 0.00 41.12 40.56 2nv3 n ASP 93 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 2nv3 n VAL 94 N -0.47 0.00 0.20 2.53 0.24 -1.26 -4.91 118.33 114.66 2nv3 n VAL 94 Ca 0.39 -0.46 -0.09 0.00 -2.04 0.00 0.00 64.34 62.14 2nv3 n VAL 94 Cb 0.64 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.97 2nv3 n VAL 94 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2nv3 h LYS 95 N -0.31 -0.57 -5.10 7.34 6.56 -1.97 -3.45 116.57 119.07 2nv3 h LYS 95 Ca -0.39 0.04 -0.57 0.00 -1.06 0.00 0.00 60.65 58.68 2nv3 h LYS 95 Cb 1.28 0.13 -0.13 0.00 -0.57 0.00 0.00 32.23 32.94 2nv3 h LYS 95 CO 0.33 -0.38 -0.53 0.16 -2.06 0.00 0.00 179.45 176.97 2nv3 s ASP 96 N -4.86 2.97 0.00 0.86 -4.77 -1.26 -2.96 116.67 106.65 2nv3 s ASP 96 Ca -0.09 -1.62 0.08 0.00 -3.30 0.00 0.00 52.55 47.63 2nv3 s ASP 96 Cb 0.01 0.41 0.40 0.00 -1.09 0.00 0.00 42.92 42.64 2nv3 s ASP 96 CO 0.26 -0.86 1.19 0.41 0.70 0.00 0.00 175.17 176.86 2nv3 n THR 97 N -0.94 1.07 -0.03 2.11 -1.04 -1.00 -2.71 114.28 111.74 2nv3 n THR 97 Ca -0.08 0.27 -0.00 0.00 -2.04 0.00 0.00 64.05 62.20 2nv3 n THR 97 Cb 0.66 -1.13 -0.00 0.00 -1.82 0.00 0.00 70.33 68.04 2nv3 n THR 97 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2nv3 h LYS 98 N 0.00 0.00 0.00 -2.82 1.63 -1.89 -3.05 116.57 110.44 2nv3 h LYS 98 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2nv3 h LYS 98 Cb 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2nv3 h LYS 98 CO 0.00 0.00 0.07 0.93 -3.45 0.00 0.00 179.45 177.00 2nv3 h GLU 99 N -0.56 0.00 0.03 1.90 3.07 -1.96 -1.02 114.58 116.04 2nv3 h GLU 99 Ca 0.00 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.61 2nv3 h GLU 99 Cb 0.01 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 27.94 2nv3 h GLU 99 CO 0.00 0.00 -1.00 0.00 -1.40 0.00 0.00 179.01 176.61 2nv3 h ALA 100 N 1.86 0.08 0.00 3.43 0.00 -1.62 -2.94 119.26 120.06 2nv3 h ALA 100 Ca 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 54.91 54.16 2nv3 h ALA 100 Cb 0.14 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2nv3 h ALA 100 CO 0.00 0.61 -0.29 1.25 0.00 0.00 0.00 179.25 180.82 2nv3 h LEU 101 N 0.26 0.00 -0.14 0.00 7.12 -1.09 -3.17 115.31 118.28 2nv3 h LEU 101 Ca -0.13 0.00 -0.17 0.00 0.13 0.00 0.00 57.88 57.71 2nv3 h LEU 101 Cb 1.68 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 41.81 2nv3 h LEU 101 CO 0.20 0.29 -0.56 -0.78 -0.13 0.00 0.00 178.44 177.46 2nv3 h ASP 102 N 0.00 0.74 -0.30 1.25 3.58 -1.43 -0.88 116.42 119.37 2nv3 h ASP 102 Ca -0.00 -0.62 0.04 0.00 0.42 0.00 0.00 57.03 56.87 2nv3 h ASP 102 Cb 0.92 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.73 2nv3 h ASP 102 CO 0.04 1.23 0.20 0.11 -2.88 0.00 0.00 179.24 177.94 2nv3 h LYS 103 N 0.29 0.23 0.00 0.28 1.79 -1.49 0.29 116.57 117.96 2nv3 h LYS 103 Ca -0.03 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2nv3 h LYS 103 Cb 1.19 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2nv3 h LYS 103 CO 0.12 0.15 -1.03 -0.89 -1.08 0.00 0.00 179.45 176.72 2nv3 n ILE 104 N -4.49 0.44 0.07 1.86 5.41 -1.19 -3.07 119.36 118.41 2nv3 n ILE 104 Ca 0.03 -0.44 0.02 0.00 1.00 0.00 0.00 62.75 63.36 2nv3 n ILE 104 Cb 0.21 -0.18 -0.04 0.00 -0.71 0.00 0.00 39.64 38.92 2nv3 n ILE 104 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2nv3 h GLU 105 N 0.00 0.00 0.16 0.38 4.81 0.33 -3.16 114.58 117.10 2nv3 h GLU 105 Ca 0.00 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 2nv3 h GLU 105 Cb 0.91 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 2nv3 h GLU 105 CO 0.00 0.30 -1.83 1.49 -0.73 0.00 0.00 179.01 178.24 2nv3 h GLU 106 N 0.00 0.34 -0.23 1.92 4.57 -0.63 -3.29 114.58 117.26 2nv3 h GLU 106 Ca -0.10 -0.58 -0.02 0.00 -1.18 0.00 0.00 59.36 57.48 2nv3 h GLU 106 Cb 1.44 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 30.24 2nv3 h GLU 106 CO 0.04 1.26 0.05 0.93 -1.18 0.00 0.00 179.01 180.12 2nv3 h GLU 107 N 0.09 0.37 -0.40 1.92 4.39 -1.69 -2.72 114.58 116.54 2nv3 h GLU 107 Ca -0.37 -0.09 0.07 0.00 0.34 0.00 0.00 59.36 59.31 2nv3 h GLU 107 Cb 2.07 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 30.66 2nv3 h GLU 107 CO 0.15 0.49 0.27 1.96 -1.16 0.00 0.00 179.01 180.72 2nv3 h GLN 108 N 0.18 0.23 -0.67 2.33 1.08 -1.72 -1.70 115.11 114.85 2nv3 h GLN 108 Ca 0.07 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.29 2nv3 h GLN 108 Cb 0.29 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.62 2nv3 h GLN 108 CO 0.00 0.16 0.41 -0.97 -0.95 0.00 0.00 178.83 177.48 2nv3 h ASN 109 N 0.24 0.67 -0.71 1.46 -0.73 -1.55 -1.81 115.58 113.15 2nv3 h ASN 109 Ca 0.18 0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.39 2nv3 h ASN 109 Cb 0.40 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.81 2nv3 h ASN 109 CO -0.03 0.46 0.47 0.11 -0.37 0.00 0.00 177.43 178.06 2nv3 h LYS 110 N 0.80 0.81 -0.19 6.67 1.57 -1.31 -0.96 116.57 123.95 2nv3 h LYS 110 Ca 0.27 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.06 2nv3 h LYS 110 Cb 0.04 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2nv3 h LYS 110 CO -0.11 0.54 0.14 1.03 -0.57 0.00 0.00 179.45 180.47 2nv3 h SER 111 N 0.83 0.01 0.11 0.86 0.87 -1.31 0.00 113.55 114.92 2nv3 h SER 111 Ca 0.28 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 2nv3 h SER 111 Cb 0.09 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2nv3 h SER 111 CO -0.08 0.01 -0.10 0.50 -0.53 0.00 0.00 176.83 176.62 2nv3 h LYS 112 N 0.01 0.00 0.00 2.24 3.64 -1.13 0.25 116.57 121.58 2nv3 h LYS 112 Ca 0.09 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.29 2nv3 h LYS 112 Cb 0.35 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 2nv3 h LYS 112 CO -0.00 0.10 -1.54 1.17 -2.27 0.00 0.00 179.45 176.91 2nv3 n LYS 113 N -4.37 0.63 -0.92 1.90 3.00 -0.10 -4.05 118.16 114.25 2nv3 n LYS 113 Ca -0.03 0.19 -0.09 0.00 -0.00 0.00 0.00 58.31 58.39 2nv3 n LYS 113 Cb 0.18 -1.77 0.22 0.00 0.00 0.00 0.00 35.03 33.65 2nv3 n LYS 113 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2nv3 n LYS 114 N -2.86 2.41 0.15 1.64 4.01 -0.71 -4.62 118.16 118.18 2nv3 n LYS 114 Ca -0.12 -3.08 0.17 0.00 -0.51 0.00 0.00 58.31 54.77 2nv3 n LYS 114 Cb 0.87 -1.99 0.77 0.00 -0.51 0.00 0.00 35.03 34.16 2nv3 n LYS 114 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2nv3 h ALA 115 N 1.39 2.02 -0.18 7.82 0.00 -0.67 -0.03 119.26 129.61 2nv3 h ALA 115 Ca 0.32 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 2nv3 h ALA 115 Cb 2.10 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.80 2nv3 h ALA 115 CO 0.63 -0.38 -0.59 0.00 0.00 0.00 0.00 179.25 178.92 2nv3 n GLN 116 N -4.02 2.05 0.01 0.00 10.64 -1.26 -4.36 117.38 120.44 2nv3 n GLN 116 Ca 0.04 -3.49 0.00 0.00 -1.83 0.00 0.00 57.00 51.71 2nv3 n GLN 116 Cb 0.39 -1.75 0.00 0.00 -0.86 0.00 0.00 30.24 28.02 2nv3 n GLN 116 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2nv3 n GLN 117 N -1.00 0.00 0.08 2.61 7.27 -0.37 -4.82 117.38 121.15 2nv3 n GLN 117 Ca 0.25 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.30 2nv3 n GLN 117 Cb 0.76 -0.02 -0.05 0.00 2.41 0.00 0.00 30.24 33.34 2nv3 n GLN 117 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2nv3 h ALA 118 N 0.00 0.58 -0.86 1.69 0.00 -1.36 -3.28 119.26 116.04 2nv3 h ALA 118 Ca 0.00 -0.75 -0.44 0.00 0.00 0.00 0.00 54.91 53.72 2nv3 h ALA 118 Cb 0.03 0.02 -0.26 0.00 0.00 0.00 0.00 17.79 17.58 2nv3 h ALA 118 CO 0.00 0.95 0.56 0.00 0.00 0.00 0.00 179.25 180.75 2nv3 n ALA 119 N -2.32 5.16 -1.91 0.00 0.00 -1.24 -4.19 120.51 116.02 2nv3 n ALA 119 Ca -0.02 -2.50 0.05 0.00 0.00 0.00 0.00 53.44 50.97 2nv3 n ALA 119 Cb 0.84 -1.38 0.14 0.00 0.00 0.00 0.00 19.45 19.05 2nv3 n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nv3 n ALA 120 N -0.89 3.25 -2.66 0.00 0.00 -1.24 -4.79 120.51 114.18 2nv3 n ALA 120 Ca 0.51 -3.00 -0.04 0.00 0.00 0.00 0.00 53.44 50.92 2nv3 n ALA 120 Cb 1.51 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 20.49 2nv3 n ALA 120 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2nv3 n ASP 121 N -0.58 -1.23 -3.86 0.00 -0.08 -1.26 -5.03 116.55 104.51 2nv3 n ASP 121 Ca 0.15 -1.75 -0.13 0.00 -1.51 0.00 0.00 54.79 51.55 2nv3 n ASP 121 Cb 0.84 1.01 -0.14 0.00 2.34 0.00 0.00 41.12 45.17 2nv3 n ASP 121 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2nv3 s THR 122 N 0.05 0.02 0.00 5.18 -4.23 -1.26 -5.06 115.64 110.34 2nv3 s THR 122 Ca 0.06 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 2nv3 s THR 122 Cb 0.10 -0.05 0.00 0.00 1.34 0.00 0.00 72.50 73.89 2nv3 s THR 122 CO -0.02 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2nv3 n GLY 123 N 3.28 1.88 3.46 3.99 0.00 -1.26 -5.04 105.19 111.51 2nv3 n GLY 123 Ca -0.15 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.40 2nv3 n GLY 123 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2nv3 n ASN 124 N 7.43 -7.43 -3.18 1.61 5.03 -1.26 -4.89 115.26 112.57 2nv3 n ASN 124 Ca 0.00 0.96 0.01 0.00 0.87 0.00 0.00 54.58 56.43 2nv3 n ASN 124 Cb 0.00 -2.72 -0.01 0.00 -1.02 0.00 0.00 39.78 36.03 2nv3 n ASN 124 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 2nv3 s ASN 125 N -5.90 -1.46 -1.19 6.41 3.84 -1.26 -5.08 114.94 110.30 2nv3 s ASN 125 Ca 0.00 -0.68 -0.11 0.00 0.21 0.00 0.00 52.86 52.28 2nv3 s ASN 125 Cb 0.00 1.87 0.21 0.00 -0.55 0.00 0.00 41.25 42.78 2nv3 s ASN 125 CO 0.00 -0.17 1.43 -1.20 -2.79 0.00 0.00 177.10 174.37 2nv3 n SER 126 N 4.44 5.38 -4.63 -4.21 7.64 -1.26 -4.98 113.62 115.99 2nv3 n SER 126 Ca 0.10 -3.05 -0.27 0.00 1.01 0.00 0.00 58.87 56.66 2nv3 n SER 126 Cb 0.57 -1.48 -0.10 0.00 -1.01 0.00 0.00 64.21 62.18 2nv3 n SER 126 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2nv3 s GLN 127 N 0.31 1.99 0.56 1.43 -0.21 -1.26 -5.12 119.66 117.36 2nv3 s GLN 127 Ca 0.38 -2.04 -0.20 0.00 0.02 0.00 0.00 55.36 53.52 2nv3 s GLN 127 Cb -0.02 -1.71 -0.05 0.00 1.00 0.00 0.00 33.01 32.24 2nv3 s GLN 127 CO -0.01 -0.04 1.22 0.14 -2.12 0.00 0.00 175.29 174.49 2nv3 s VAL 128 N -2.68 2.64 -0.39 1.09 -7.23 -1.26 -5.01 120.40 107.56 2nv3 s VAL 128 Ca 0.36 0.43 0.02 0.00 -1.81 0.00 0.00 61.98 60.98 2nv3 s VAL 128 Cb 0.08 -3.19 0.15 0.00 0.56 0.00 0.00 36.38 33.99 2nv3 s VAL 128 CO 0.19 -0.06 0.28 -0.55 -0.31 0.00 0.00 175.10 174.64 2nv3 s SER 129 N -1.45 2.27 -0.41 4.85 0.15 -1.26 -4.96 113.70 112.89 2nv3 s SER 129 Ca 0.74 -2.64 0.05 0.00 0.70 0.00 0.00 55.95 54.80 2nv3 s SER 129 Cb -0.31 -0.45 0.49 0.00 -1.71 0.00 0.00 66.02 64.04 2nv3 s SER 129 CO 0.35 -0.24 1.58 0.00 1.20 0.00 0.00 173.24 176.14 2nv3 n GLN 130 N 3.44 2.59 -3.74 5.44 10.64 -1.26 -4.95 117.38 129.54 2nv3 n GLN 130 Ca 0.20 -3.48 -0.12 0.00 -1.83 0.00 0.00 57.00 51.78 2nv3 n GLN 130 Cb 0.42 -2.11 -0.12 0.00 -0.86 0.00 0.00 30.24 27.57 2nv3 n GLN 130 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 2nv3 s ASN 131 N -2.53 -0.32 0.00 2.61 2.47 -1.26 -5.38 114.94 110.53 2nv3 s ASN 131 Ca 0.53 0.60 0.00 0.00 0.42 0.00 0.00 52.86 54.41 2nv3 s ASN 131 Cb 0.44 0.52 0.00 0.00 -1.45 0.00 0.00 41.25 40.76 2nv3 s ASN 131 CO 0.02 -0.15 0.48 -1.22 -3.72 0.00 0.00 177.10 172.51