#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 0.00 -0.26 4.61 0.00 -1.26 -4.79 120.51 118.80 2nv3 n ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2nv3 n ALA 3 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2nv3 n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2nv3 n ARG 4 N -0.82 0.00 -3.14 0.00 5.12 -1.26 -5.13 116.66 111.42 2nv3 n ARG 4 Ca 0.00 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.84 2nv3 n ARG 4 Cb 0.26 -0.10 0.00 0.00 -1.16 0.00 0.00 32.46 31.46 2nv3 n ARG 4 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2nv3 n ALA 5 N -2.14 -0.90 -1.67 7.54 0.00 -1.26 -4.82 120.51 117.26 2nv3 n ALA 5 Ca 0.00 -1.03 -0.52 0.00 0.00 0.00 0.00 53.44 51.89 2nv3 n ALA 5 Cb 0.00 0.82 -0.06 0.00 0.00 0.00 0.00 19.45 20.22 2nv3 n ALA 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2nv3 n SER 6 N -1.53 2.96 0.00 0.00 7.64 -1.26 -4.61 113.62 116.82 2nv3 n SER 6 Ca -0.04 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.78 2nv3 n SER 6 Cb 0.43 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 2nv3 n SER 6 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2nv3 n VAL 7 N 5.22 0.00 0.00 0.44 0.31 -1.26 -5.11 118.33 117.94 2nv3 n VAL 7 Ca 0.26 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.84 2nv3 n VAL 7 Cb 0.23 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 2nv3 n VAL 7 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nv3 n ALA 8 N -2.03 0.00 -2.57 3.52 0.00 -1.26 -5.06 120.51 113.11 2nv3 n ALA 8 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2nv3 n ALA 8 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 2nv3 n ALA 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2nv3 n SER 9 N 0.00 -4.11 -0.51 0.00 2.88 -1.26 -4.39 113.62 106.23 2nv3 n SER 9 Ca 0.00 -0.40 0.43 0.00 -1.33 0.00 0.00 58.87 57.57 2nv3 n SER 9 Cb 0.00 -3.20 0.66 0.00 -0.75 0.00 0.00 64.21 60.92 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 -1.29 -0.90 0.02 0.46 0.00 -1.26 0.53 105.19 102.76 2nv3 n GLY 10 Ca -0.07 0.56 -0.01 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 0.97 -0.02 0.00 -2.02 -3.35 103.07 98.65 2nv3 h GLY 11 Ca 0.76 0.00 0.10 0.00 0.00 0.00 0.00 47.33 48.19 2nv3 h GLY 11 CO -0.01 0.00 0.44 0.83 0.00 0.00 0.00 176.54 177.80 2nv3 h GLU 12 N -0.40 0.49 -0.96 4.80 5.08 -1.63 -1.03 114.58 120.93 2nv3 h GLU 12 Ca 0.00 -0.03 0.22 0.00 -1.00 0.00 0.00 59.36 58.55 2nv3 h GLU 12 Cb 0.06 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.12 2nv3 h GLU 12 CO 0.00 0.32 0.62 1.25 -1.00 0.00 0.00 179.01 180.21 2nv3 h LEU 13 N 0.50 0.49 -0.65 1.33 7.12 -0.09 -0.34 115.31 123.67 2nv3 h LEU 13 Ca 0.31 0.06 0.13 0.00 0.13 0.00 0.00 57.88 58.50 2nv3 h LEU 13 Cb 0.52 -0.03 -0.09 0.00 -0.53 0.00 0.00 40.66 40.53 2nv3 h LEU 13 CO -0.10 0.17 0.15 -0.78 -0.13 0.00 0.00 178.44 177.75 2nv3 h ASP 14 N 0.47 0.01 -0.51 1.25 1.82 -1.31 -0.85 116.42 117.30 2nv3 h ASP 14 Ca 0.52 0.12 -0.03 0.00 -0.39 0.00 0.00 57.03 57.25 2nv3 h ASP 14 Cb 1.21 0.17 -0.02 0.00 0.68 0.00 0.00 39.33 41.36 2nv3 h ASP 14 CO -0.24 -0.00 0.19 0.11 -1.61 0.00 0.00 179.24 177.69 2nv3 h LYS 15 N 0.27 0.76 -0.11 0.28 1.57 -1.21 -1.24 116.57 116.89 2nv3 h LYS 15 Ca 0.35 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 2nv3 h LYS 15 Cb 0.54 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.67 2nv3 h LYS 15 CO -0.44 0.68 -0.33 2.35 -0.57 0.00 0.00 179.45 181.15 2nv3 h TRP 16 N 0.68 -0.91 0.00 -1.35 2.91 -1.05 0.17 115.95 116.40 2nv3 h TRP 16 Ca 0.17 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.22 2nv3 h TRP 16 Cb 0.22 0.41 0.00 0.00 -0.51 0.00 0.00 29.16 29.28 2nv3 h TRP 16 CO 0.01 -0.41 0.00 0.39 -1.03 0.00 0.00 178.44 177.40 2nv3 n GLU 17 N -5.41 0.09 0.18 2.65 1.02 -0.80 -3.46 120.64 114.90 2nv3 n GLU 17 Ca -0.03 0.15 -0.11 0.00 -0.02 0.00 0.00 57.16 57.15 2nv3 n GLU 17 Cb 0.33 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.19 2nv3 n GLU 17 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2nv3 h LYS 18 N 0.00 -0.49 -6.89 3.49 1.63 0.59 -3.41 116.57 111.49 2nv3 h LYS 18 Ca 0.00 0.03 -0.56 0.00 -0.85 0.00 0.00 60.65 59.27 2nv3 h LYS 18 Cb 0.29 0.11 0.14 0.00 -0.60 0.00 0.00 32.23 32.17 2nv3 h LYS 18 CO 0.00 -0.21 0.41 -0.89 -3.45 0.00 0.00 179.45 175.31 2nv3 n ILE 19 N -5.13 3.32 -3.01 2.00 5.41 -1.00 -4.92 119.36 116.04 2nv3 n ILE 19 Ca -0.08 -0.50 -0.21 0.00 1.00 0.00 0.00 62.75 62.96 2nv3 n ILE 19 Cb 0.26 -1.46 0.01 0.00 -0.71 0.00 0.00 39.64 37.74 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 -2.58 2.91 0.08 0.38 0.52 -1.26 -2.94 118.95 116.06 2nv3 s ARG 20 Ca 0.69 -0.77 0.12 0.00 -0.52 0.00 0.00 55.73 55.25 2nv3 s ARG 20 Cb -0.46 -2.62 -0.16 0.00 0.52 0.00 0.00 34.95 32.23 2nv3 s ARG 20 CO 0.52 -0.31 1.00 -0.07 0.02 0.00 0.00 175.30 176.46 2nv3 h LEU 21 N 0.45 0.00 -9.00 2.53 3.38 -0.77 -2.67 115.31 109.23 2nv3 h LEU 21 Ca -0.44 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.06 2nv3 h LEU 21 Cb 1.27 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.88 2nv3 h LEU 21 CO 0.53 0.83 -0.71 -0.13 0.09 0.00 0.00 178.44 179.05 2nv3 s ARG 22 N -2.76 1.43 0.26 1.13 0.52 -1.26 -4.16 118.95 114.12 2nv3 s ARG 22 Ca -0.01 -1.68 0.03 0.00 -0.52 0.00 0.00 55.73 53.55 2nv3 s ARG 22 Cb 0.09 -1.15 0.33 0.00 0.52 0.00 0.00 34.95 34.74 2nv3 s ARG 22 CO 0.81 0.12 1.63 -1.00 0.02 0.00 0.00 175.30 176.88 2nv3 h PRO 23 N 2.43 0.35 -0.38 3.54 0.13 -1.91 -3.31 132.00 132.84 2nv3 h PRO 23 Ca -0.39 -0.18 -0.28 0.00 -0.87 0.00 0.00 66.00 64.27 2nv3 h PRO 23 Cb 1.23 0.01 -0.35 0.00 0.13 0.00 0.00 31.00 32.01 2nv3 h PRO 23 CO 0.64 0.74 -0.94 0.41 -0.23 0.00 0.00 178.00 178.62 2nv3 n GLY 24 N -0.03 3.38 0.00 1.56 0.00 -1.26 -4.98 105.19 103.86 2nv3 n GLY 24 Ca -0.02 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.49 3.34 0.00 -0.02 0.00 -1.25 -5.06 105.19 101.70 2nv3 n GLY 25 Ca 0.19 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.06 2nv3 n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2nv3 n LYS 26 N -0.42 3.53 -3.15 1.61 4.81 -1.26 -4.92 118.16 118.35 2nv3 n LYS 26 Ca 0.00 -0.16 -0.36 0.00 -0.87 0.00 0.00 58.31 56.92 2nv3 n LYS 26 Cb 0.00 -0.62 -0.06 0.00 0.02 0.00 0.00 35.03 34.37 2nv3 n LYS 26 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2nv3 s LYS 27 N -0.55 4.21 0.17 1.64 1.02 -1.26 -4.99 119.74 119.98 2nv3 s LYS 27 Ca 0.00 0.80 0.01 0.00 0.02 0.00 0.00 55.97 56.81 2nv3 s LYS 27 Cb 0.00 -2.91 -0.01 0.00 -0.52 0.00 0.00 37.83 34.39 2nv3 s LYS 27 CO 0.00 0.42 0.05 1.04 -0.92 0.00 0.00 175.35 175.95 2nv3 n GLN 28 N 0.80 0.86 -3.01 1.68 6.02 -1.26 -0.10 117.38 122.38 2nv3 n GLN 28 Ca -0.03 -1.43 -0.36 0.00 -0.01 0.00 0.00 57.00 55.16 2nv3 n GLN 28 Cb 0.51 0.74 -0.06 0.00 1.02 0.00 0.00 30.24 32.45 2nv3 n GLN 28 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2nv3 s TYR 29 N -2.13 3.63 0.16 1.08 2.02 -1.15 -4.64 117.35 116.33 2nv3 s TYR 29 Ca 0.08 1.49 -0.00 0.00 -0.37 0.00 0.00 57.07 58.26 2nv3 s TYR 29 Cb 0.00 -2.70 -0.04 0.00 -0.40 0.00 0.00 41.96 38.82 2nv3 s TYR 29 CO 0.05 0.28 0.06 0.15 -1.57 0.00 0.00 175.55 174.52 2nv3 s LYS 30 N -2.09 1.05 0.39 -0.62 3.01 -1.26 -4.03 119.74 116.18 2nv3 s LYS 30 Ca 0.46 -1.52 0.21 0.00 -1.01 0.00 0.00 55.97 54.12 2nv3 s LYS 30 Cb -0.17 0.11 1.22 0.00 -1.01 0.00 0.00 37.83 37.98 2nv3 s LYS 30 CO 0.21 -0.26 1.67 -0.07 0.51 0.00 0.00 175.35 177.41 2nv3 h LEU 31 N 2.75 0.40 -1.04 3.17 3.38 -1.99 0.19 115.31 122.17 2nv3 h LEU 31 Ca -0.36 0.15 0.42 0.00 0.09 0.00 0.00 57.88 58.18 2nv3 h LEU 31 Cb 1.21 0.11 -0.17 0.00 0.09 0.00 0.00 40.66 41.90 2nv3 h LEU 31 CO 0.59 -0.12 0.57 0.11 0.09 0.00 0.00 178.44 179.69 2nv3 h LYS 32 N 0.24 0.02 0.06 1.13 1.57 -1.99 0.33 116.57 117.93 2nv3 h LYS 32 Ca 0.74 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.42 2nv3 h LYS 32 Cb 1.99 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.30 2nv3 h LYS 32 CO -0.48 0.01 -0.44 0.45 -0.57 0.00 0.00 179.45 178.42 2nv3 h HIS 33 N 0.02 0.32 -0.19 -1.35 3.86 -1.03 -0.62 115.15 116.16 2nv3 h HIS 33 Ca 0.85 -0.22 0.06 0.00 -1.16 0.00 0.00 60.37 59.89 2nv3 h HIS 33 Cb 2.27 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 30.71 2nv3 h HIS 33 CO -0.01 1.14 0.29 0.82 0.86 0.00 0.00 177.93 181.02 2nv3 h ILE 34 N -0.58 0.29 0.07 2.45 2.04 -0.46 0.82 117.51 122.14 2nv3 h ILE 34 Ca -0.07 0.00 -0.38 0.00 1.00 0.00 0.00 64.86 65.41 2nv3 h ILE 34 Cb 1.30 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 2nv3 h ILE 34 CO 0.08 0.00 -2.23 0.52 0.00 0.00 0.00 178.15 176.53 2nv3 n VAL 35 N -3.50 1.64 0.26 1.67 0.31 -0.16 -3.10 118.33 115.45 2nv3 n VAL 35 Ca 0.02 -0.62 0.13 0.00 -0.01 0.00 0.00 64.34 63.86 2nv3 n VAL 35 Cb 0.40 -1.58 0.72 0.00 -0.91 0.00 0.00 33.84 32.47 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 0.04 0.00 0.00 3.52 7.01 -0.12 -2.51 115.95 123.89 2nv3 h TRP 36 Ca -0.50 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.42 2nv3 h TRP 36 Cb 1.97 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 29.02 2nv3 h TRP 36 CO 0.05 0.12 -0.70 0.00 -2.79 0.00 0.00 178.44 175.13 2nv3 h ALA 37 N 1.88 0.10 -1.12 2.65 0.00 -1.05 -3.00 119.26 118.72 2nv3 h ALA 37 Ca -0.00 -0.71 0.31 0.00 0.00 0.00 0.00 54.91 54.51 2nv3 h ALA 37 Cb 0.37 0.51 -0.09 0.00 0.00 0.00 0.00 17.79 18.58 2nv3 h ALA 37 CO 0.02 0.50 0.74 1.03 0.00 0.00 0.00 179.25 181.54 2nv3 h SER 38 N -1.00 0.31 0.01 0.00 0.87 -1.55 -0.10 113.55 112.09 2nv3 h SER 38 Ca -0.13 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 2nv3 h SER 38 Cb 0.77 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 2nv3 h SER 38 CO -0.08 0.03 -0.11 -0.09 -0.53 0.00 0.00 176.83 176.05 2nv3 h ARG 39 N 0.25 0.05 -0.65 2.24 2.43 -1.61 -3.30 114.38 113.80 2nv3 h ARG 39 Ca 0.62 -0.07 0.14 0.00 -0.81 0.00 0.00 59.98 59.86 2nv3 h ARG 39 Cb 1.85 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 31.32 2nv3 h ARG 39 CO -0.25 0.96 0.04 1.49 -1.51 0.00 0.00 179.97 180.70 2nv3 h GLU 40 N -0.82 0.15 -0.57 0.20 4.57 -0.92 -0.64 114.58 116.55 2nv3 h GLU 40 Ca -0.02 -0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.27 2nv3 h GLU 40 Cb 1.00 -0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 29.47 2nv3 h GLU 40 CO 0.02 0.10 0.01 -0.07 -1.18 0.00 0.00 179.01 177.88 2nv3 h LEU 41 N 0.15 -0.23 -1.90 1.64 3.38 -1.31 0.43 115.31 117.46 2nv3 h LEU 41 Ca 0.34 0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.55 2nv3 h LEU 41 Cb 0.56 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2nv3 h LEU 41 CO -0.53 -0.09 0.47 -0.08 0.09 0.00 0.00 178.44 178.30 2nv3 h GLU 42 N 0.12 0.00 0.00 1.13 4.22 0.14 0.43 114.58 120.63 2nv3 h GLU 42 Ca 0.29 0.00 -0.32 0.00 0.08 0.00 0.00 59.36 59.41 2nv3 h GLU 42 Cb 0.46 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 2nv3 h GLU 42 CO -0.47 0.00 -1.97 -2.13 -2.18 0.00 0.00 179.01 172.26 2nv3 n ARG 43 N -3.49 0.66 -0.21 1.92 0.63 0.13 -4.07 116.66 112.24 2nv3 n ARG 43 Ca 0.06 0.19 -0.01 0.00 -0.92 0.00 0.00 57.85 57.17 2nv3 n ARG 43 Cb 0.62 -1.69 0.07 0.00 0.45 0.00 0.00 32.46 31.90 2nv3 n ARG 43 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2nv3 n PHE 44 N -2.96 0.49 -1.31 -0.14 7.35 0.74 -4.79 117.46 116.84 2nv3 n PHE 44 Ca -0.23 -0.37 -0.11 0.00 -0.76 0.00 0.00 57.45 55.98 2nv3 n PHE 44 Cb 1.09 -0.26 -0.05 0.00 0.35 0.00 0.00 39.48 40.62 2nv3 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2nv3 n ALA 45 N 0.14 -0.16 -2.53 3.13 0.00 -1.00 -4.99 120.51 115.09 2nv3 n ALA 45 Ca 0.08 0.17 -0.27 0.00 0.00 0.00 0.00 53.44 53.42 2nv3 n ALA 45 Cb 0.55 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.50 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 -2.25 3.00 -0.06 0.00 1.01 0.12 -5.00 120.40 117.21 2nv3 s VAL 46 Ca 0.00 -1.70 -0.06 0.00 0.00 0.00 0.00 61.98 60.22 2nv3 s VAL 46 Cb 0.00 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 2nv3 s VAL 46 CO 0.00 -0.08 0.19 0.20 0.00 0.00 0.00 175.10 175.41 2nv3 s ASN 47 N -2.70 6.43 0.00 3.32 0.01 -1.26 -1.38 114.94 119.35 2nv3 s ASN 47 Ca 0.23 0.49 0.15 0.00 -0.71 0.00 0.00 52.86 53.01 2nv3 s ASN 47 Cb -0.09 -2.07 0.76 0.00 0.41 0.00 0.00 41.25 40.26 2nv3 s ASN 47 CO 0.14 0.34 1.40 -0.81 -1.51 0.00 0.00 177.10 176.66 2nv3 n PRO 48 N 1.57 0.22 -0.00 -0.60 -0.04 -1.26 -2.54 135.00 132.35 2nv3 n PRO 48 Ca -0.16 0.14 0.14 0.00 -0.04 0.00 0.00 63.50 63.58 2nv3 n PRO 48 Cb 0.54 -1.50 0.79 0.00 -0.04 0.00 0.00 33.50 33.29 2nv3 n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nv3 n GLY 49 N -0.03 -0.77 0.28 0.55 0.00 -1.26 -3.26 105.19 100.70 2nv3 n GLY 49 Ca 0.07 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.00 2nv3 n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nv3 n LEU 50 N -0.71 0.91 -0.16 0.99 4.77 -1.05 -3.40 117.00 118.35 2nv3 n LEU 50 Ca 0.21 -0.27 0.12 0.00 -0.03 0.00 0.00 56.01 56.04 2nv3 n LEU 50 Cb 0.15 -0.04 0.20 0.00 -2.33 0.00 0.00 43.42 41.40 2nv3 n LEU 50 CO 0.16 0.16 0.42 0.18 -1.33 0.00 0.00 177.39 176.98 2nv3 n LEU 51 N -0.39 1.00 -2.65 2.23 4.77 -1.20 -3.03 117.00 117.73 2nv3 n LEU 51 Ca 0.19 -0.29 -0.35 0.00 -0.03 0.00 0.00 56.01 55.53 2nv3 n LEU 51 Cb 0.28 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 2nv3 n LEU 51 CO 0.19 0.21 1.14 -1.84 -1.33 0.00 0.00 177.39 175.76 2nv3 n GLU 52 N -0.97 2.95 -3.15 3.23 0.28 -1.22 -4.85 120.64 116.90 2nv3 n GLU 52 Ca 0.08 -3.74 0.06 0.00 -0.16 0.00 0.00 57.16 53.40 2nv3 n GLU 52 Cb 0.36 -2.27 -0.02 0.00 1.43 0.00 0.00 31.44 30.94 2nv3 n GLU 52 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2nv3 s THR 53 N -5.10 -0.10 0.31 3.84 -1.32 -1.26 -5.00 115.64 107.02 2nv3 s THR 53 Ca 0.53 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 61.09 2nv3 s THR 53 Cb 0.44 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.75 2nv3 s THR 53 CO -0.26 0.00 1.66 0.77 -2.21 0.00 0.00 174.62 174.57 2nv3 h SER 54 N 7.94 0.26 -0.31 8.08 4.64 -1.89 0.74 113.55 133.01 2nv3 h SER 54 Ca -0.11 0.19 -0.08 0.00 -0.47 0.00 0.00 61.79 61.33 2nv3 h SER 54 Cb 1.17 0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.44 2nv3 h SER 54 CO -0.20 -0.13 -0.06 -0.33 -0.87 0.00 0.00 176.83 175.24 2nv3 h GLU 55 N 0.28 0.70 -0.15 4.77 5.08 -1.95 -3.01 114.58 120.29 2nv3 h GLU 55 Ca 0.64 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.80 2nv3 h GLU 55 Cb 1.37 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2nv3 h GLU 55 CO -0.63 0.75 0.08 0.78 -1.00 0.00 0.00 179.01 179.00 2nv3 h GLY 56 N 0.96 0.22 0.55 -3.84 0.00 0.25 -2.92 103.07 98.30 2nv3 h GLY 56 Ca 0.12 -0.10 0.08 0.00 0.00 0.00 0.00 47.33 47.43 2nv3 h GLY 56 CO 0.03 0.10 0.34 0.00 0.00 0.00 0.00 176.54 177.01 2nv3 h ARG 58 N 0.61 0.53 -0.24 0.00 1.12 -1.38 0.13 114.38 115.15 2nv3 h ARG 58 Ca 0.32 -0.03 -0.20 0.00 -1.11 0.00 0.00 59.98 58.96 2nv3 h ARG 58 Cb 0.29 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.13 2nv3 h ARG 58 CO -0.23 0.35 -0.63 0.37 -3.11 0.00 0.00 179.97 176.72 2nv3 h GLN 59 N 0.55 0.85 0.55 0.20 -0.00 -1.24 -2.39 115.11 113.63 2nv3 h GLN 59 Ca 0.60 -0.60 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 2nv3 h GLN 59 Cb 1.11 0.09 -0.00 0.00 0.00 0.00 0.00 27.48 28.68 2nv3 h GLN 59 CO -0.47 1.22 -0.33 0.82 0.00 0.00 0.00 178.83 180.07 2nv3 h ILE 60 N 0.63 0.33 -0.56 2.39 2.04 -0.27 -0.78 117.51 121.28 2nv3 h ILE 60 Ca -0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.88 2nv3 h ILE 60 Cb 1.25 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 2nv3 h ILE 60 CO 0.14 0.00 0.32 -0.07 0.00 0.00 0.00 178.15 178.54 2nv3 h LEU 61 N -0.83 0.51 -1.67 1.44 3.38 -1.20 -1.78 115.31 115.16 2nv3 h LEU 61 Ca -0.07 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2nv3 h LEU 61 Cb 0.67 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2nv3 h LEU 61 CO 0.07 0.35 0.26 1.23 0.09 0.00 0.00 178.44 180.45 2nv3 h GLY 62 N 0.63 0.49 0.98 0.83 0.00 -1.25 0.67 103.07 105.42 2nv3 h GLY 62 Ca 0.24 -0.17 -0.10 0.00 0.00 0.00 0.00 47.33 47.29 2nv3 h GLY 62 CO -0.12 0.16 -0.16 1.46 0.00 0.00 0.00 176.54 177.88 2nv3 h GLN 63 N 0.45 0.76 0.00 4.80 4.20 -0.27 -2.98 115.11 122.06 2nv3 h GLN 63 Ca 0.16 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.54 2nv3 h GLN 63 Cb 0.07 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2nv3 h GLN 63 CO -0.04 0.94 -0.39 1.28 -0.67 0.00 0.00 178.83 179.96 2nv3 n LEU 64 N -4.30 0.54 0.16 1.46 4.77 -0.86 -4.18 117.00 114.59 2nv3 n LEU 64 Ca -0.02 0.27 -0.16 0.00 -0.03 0.00 0.00 56.01 56.06 2nv3 n LEU 64 Cb 0.40 -0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 2nv3 n LEU 64 CO 0.44 -0.02 0.53 -0.61 -1.33 0.00 0.00 177.39 176.40 2nv3 h GLN 65 N 0.00 -0.77 0.00 3.23 4.15 0.49 0.25 115.11 122.46 2nv3 h GLN 65 Ca 0.00 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2nv3 h GLN 65 Cb 0.64 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.50 2nv3 h GLN 65 CO 0.00 -0.52 0.00 -0.35 -1.93 0.00 0.00 178.83 176.03 2nv3 n PRO 66 N -5.50 0.21 0.00 -2.39 -0.04 -1.25 -1.87 135.00 124.15 2nv3 n PRO 66 Ca -0.09 0.15 0.10 0.00 -0.04 0.00 0.00 63.50 63.61 2nv3 n PRO 66 Cb 0.42 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.30 2nv3 n PRO 66 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2nv3 n SER 67 N -1.29 1.32 0.33 3.54 2.88 -0.23 -4.27 113.62 115.90 2nv3 n SER 67 Ca 0.07 -1.16 0.22 0.00 -1.33 0.00 0.00 58.87 56.67 2nv3 n SER 67 Cb 0.12 0.82 1.17 0.00 -0.75 0.00 0.00 64.21 65.57 2nv3 n SER 67 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2nv3 h LEU 68 N 0.83 0.00 -0.36 2.46 3.38 -0.28 0.28 115.31 121.62 2nv3 h LEU 68 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2nv3 h LEU 68 Cb 0.57 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2nv3 h LEU 68 CO 0.00 0.00 0.19 -0.61 0.09 0.00 0.00 178.44 178.11 2nv3 h GLN 69 N 0.00 0.38 -0.31 1.13 4.15 -1.78 -3.29 115.11 115.39 2nv3 h GLN 69 Ca -0.00 -0.02 -0.25 0.00 0.77 0.00 0.00 58.65 59.15 2nv3 h GLN 69 Cb 0.05 -0.09 -0.35 0.00 0.21 0.00 0.00 27.48 27.30 2nv3 h GLN 69 CO 0.00 0.25 -0.97 2.41 -1.93 0.00 0.00 178.83 178.59 2nv3 n THR 70 N -4.92 1.23 -2.58 2.39 -1.04 -0.92 -5.08 114.28 103.36 2nv3 n THR 70 Ca 0.00 -2.63 -0.42 0.00 -2.04 0.00 0.00 64.05 58.97 2nv3 n THR 70 Cb 0.07 0.60 -0.03 0.00 -1.82 0.00 0.00 70.33 69.15 2nv3 n THR 70 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2nv3 s GLY 71 N -3.17 2.72 0.01 3.41 0.00 0.92 -5.04 107.32 106.18 2nv3 s GLY 71 Ca 0.35 0.69 -0.00 0.00 0.00 0.00 0.00 44.72 45.75 2nv3 s GLY 71 CO -0.07 1.80 0.00 -1.14 0.00 0.00 0.00 173.10 173.69 2nv3 n SER 72 N 3.65 -1.89 0.14 1.64 3.41 -1.26 -4.45 113.62 114.85 2nv3 n SER 72 Ca 0.06 -0.06 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 2nv3 n SER 72 Cb 0.49 -0.01 0.31 0.00 -0.26 0.00 0.00 64.21 64.75 2nv3 n SER 72 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2nv3 h GLU 73 N 0.00 0.11 0.39 4.33 4.81 -1.98 -1.74 114.58 120.51 2nv3 h GLU 73 Ca -0.00 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2nv3 h GLU 73 Cb 0.01 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2nv3 h GLU 73 CO 0.00 0.46 -0.19 0.93 -0.73 0.00 0.00 179.01 179.48 2nv3 h GLU 74 N 0.10 -0.51 -0.62 1.92 3.07 -1.98 -1.20 114.58 115.36 2nv3 h GLU 74 Ca 0.01 0.03 0.08 0.00 -0.50 0.00 0.00 59.36 58.98 2nv3 h GLU 74 Cb 0.67 0.11 -0.06 0.00 -0.84 0.00 0.00 28.75 28.64 2nv3 h GLU 74 CO 0.05 -0.25 0.29 1.25 -1.40 0.00 0.00 179.01 178.95 2nv3 h LEU 75 N -1.07 0.38 -1.20 1.33 6.46 -1.88 0.27 115.31 119.59 2nv3 h LEU 75 Ca -0.05 0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 57.70 2nv3 h LEU 75 Cb 0.49 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 2nv3 h LEU 75 CO 0.09 0.23 -0.12 -0.09 -0.62 0.00 0.00 178.44 177.93 2nv3 h ARG 76 N 0.53 0.41 -0.08 1.25 1.12 -1.39 -2.26 114.38 113.95 2nv3 h ARG 76 Ca 0.30 -0.11 -0.14 0.00 -1.11 0.00 0.00 59.98 58.92 2nv3 h ARG 76 Cb 0.28 -0.05 0.01 0.00 -0.01 0.00 0.00 29.97 30.20 2nv3 h ARG 76 CO -0.24 0.53 -0.49 0.77 -3.11 0.00 0.00 179.97 177.43 2nv3 h SER 77 N 0.38 0.57 0.24 -3.80 0.02 0.11 -3.20 113.55 107.87 2nv3 h SER 77 Ca 0.07 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 2nv3 h SER 77 Cb 0.44 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2nv3 h SER 77 CO 0.03 1.15 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.58 2nv3 h LEU 78 N 0.04 -0.55 -0.76 5.07 -0.00 -0.37 0.13 115.31 118.87 2nv3 h LEU 78 Ca -0.04 0.05 0.17 0.00 -0.00 0.00 0.00 57.88 58.06 2nv3 h LEU 78 Cb 1.15 0.18 -0.14 0.00 -0.00 0.00 0.00 40.66 41.86 2nv3 h LEU 78 CO 0.10 -0.31 -0.04 0.22 -0.00 0.00 0.00 178.44 178.41 2nv3 h TYR 79 N -0.46 -0.13 -0.17 1.13 3.20 -1.51 0.51 116.97 119.54 2nv3 h TYR 79 Ca -0.01 0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.81 2nv3 h TYR 79 Cb 0.42 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 2nv3 h TYR 79 CO -0.14 -0.27 -0.38 -0.91 -1.64 0.00 0.00 178.16 174.82 2nv3 h ASN 80 N 0.07 0.38 0.17 -2.11 4.21 -1.47 -1.63 115.58 115.21 2nv3 h ASN 80 Ca 0.41 -0.16 -0.01 0.00 1.21 0.00 0.00 56.30 57.75 2nv3 h ASN 80 Cb 0.70 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 2nv3 h ASN 80 CO -0.70 0.73 -0.08 0.74 -1.29 0.00 0.00 177.43 176.83 2nv3 h THR 81 N 0.31 0.95 0.00 2.81 2.02 0.19 -2.81 112.91 116.37 2nv3 h THR 81 Ca 0.03 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.44 2nv3 h THR 81 Cb 0.81 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 2nv3 h THR 81 CO 0.07 0.16 -0.17 0.40 0.37 0.00 0.00 175.52 176.35 2nv3 h ILE 82 N -0.60 0.79 0.00 3.11 2.04 -0.36 -1.74 117.51 120.76 2nv3 h ILE 82 Ca -0.02 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 2nv3 h ILE 82 Cb 0.45 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 2nv3 h ILE 82 CO 0.04 0.17 -0.09 0.00 0.00 0.00 0.00 178.15 178.26 2nv3 h ALA 83 N 1.83 1.01 0.00 1.87 0.00 -1.18 0.95 119.26 123.73 2nv3 h ALA 83 Ca -0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2nv3 h ALA 83 Cb 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2nv3 h ALA 83 CO 0.02 0.12 -0.82 0.28 0.00 0.00 0.00 179.25 178.85 2nv3 h VAL 84 N 0.00 0.19 0.03 0.00 2.07 -1.06 -3.32 116.25 114.16 2nv3 h VAL 84 Ca -0.00 -1.33 -0.35 0.00 0.82 0.00 0.00 66.70 65.84 2nv3 h VAL 84 Cb 0.63 1.81 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 2nv3 h VAL 84 CO 0.01 0.11 -1.96 -0.11 0.02 0.00 0.00 177.57 175.64 2nv3 n LEU 85 N -2.87 2.21 -0.34 2.57 7.94 -1.04 -4.16 117.00 121.32 2nv3 n LEU 85 Ca -0.01 0.27 0.15 0.00 -1.11 0.00 0.00 56.01 55.32 2nv3 n LEU 85 Cb 0.62 -0.95 0.35 0.00 0.53 0.00 0.00 43.42 43.98 2nv3 n LEU 85 CO 0.39 0.58 1.14 0.22 -1.11 0.00 0.00 177.39 178.61 2nv3 h TYR 86 N -0.64 0.94 -0.76 1.96 3.20 -0.99 0.19 116.97 120.87 2nv3 h TYR 86 Ca -0.50 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.41 2nv3 h TYR 86 Cb 1.63 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 39.60 2nv3 h TYR 86 CO 0.03 0.07 0.49 0.00 -1.64 0.00 0.00 178.16 177.12 2nv3 h VAL 88 N 1.03 1.25 -0.47 0.00 2.07 -0.72 0.50 116.25 119.91 2nv3 h VAL 88 Ca 0.28 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 2nv3 h VAL 88 Cb -0.10 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2nv3 h VAL 88 CO -0.06 0.38 -0.02 0.45 0.02 0.00 0.00 177.57 178.34 2nv3 h HIS 89 N 0.78 0.85 -0.24 1.57 -0.00 -0.75 -2.20 115.15 115.16 2nv3 h HIS 89 Ca 0.14 -0.13 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2nv3 h HIS 89 Cb 0.51 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 2nv3 h HIS 89 CO 0.03 0.80 0.00 1.04 -0.00 0.00 0.00 177.93 179.80 2nv3 n GLN 90 N -4.20 2.17 -3.08 2.45 1.13 -0.81 -4.88 117.38 110.15 2nv3 n GLN 90 Ca 0.02 -1.13 -0.13 0.00 -1.94 0.00 0.00 57.00 53.82 2nv3 n GLN 90 Cb 0.31 -1.57 0.07 0.00 0.11 0.00 0.00 30.24 29.16 2nv3 n GLN 90 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2nv3 n ARG 91 N 0.27 -4.53 -4.78 -1.09 0.63 -0.83 -5.03 116.66 101.30 2nv3 n ARG 91 Ca 0.10 0.68 -0.26 0.00 -0.92 0.00 0.00 57.85 57.45 2nv3 n ARG 91 Cb 0.47 -5.13 -0.16 0.00 0.45 0.00 0.00 32.46 28.09 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 -3.29 1.37 -0.22 5.15 1.01 0.17 -5.00 121.20 120.39 2nv3 s ILE 92 Ca 0.08 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 2nv3 s ILE 92 Cb -0.01 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 2nv3 s ILE 92 CO 0.58 0.40 -0.03 1.51 0.00 0.00 0.00 174.94 177.40 2nv3 s ASP 93 N 0.17 4.42 0.47 3.58 1.47 -1.26 -3.57 116.67 121.95 2nv3 s ASP 93 Ca -0.06 -0.36 0.08 0.00 1.18 0.00 0.00 52.55 53.38 2nv3 s ASP 93 Cb -0.12 -1.76 0.03 0.00 -0.34 0.00 0.00 42.92 40.73 2nv3 s ASP 93 CO 0.03 -0.02 0.65 0.68 0.68 0.00 0.00 175.17 177.19 2nv3 s VAL 94 N 1.47 2.76 -0.04 2.11 -7.23 -1.26 -5.04 120.40 113.17 2nv3 s VAL 94 Ca 0.06 -0.97 0.22 0.00 -1.81 0.00 0.00 61.98 59.48 2nv3 s VAL 94 Cb -0.14 -2.79 -0.34 0.00 0.56 0.00 0.00 36.38 33.67 2nv3 s VAL 94 CO -0.02 0.00 0.48 0.29 -0.31 0.00 0.00 175.10 175.54 2nv3 n LYS 95 N -2.00 0.65 -3.71 4.82 5.02 -1.26 -4.89 118.16 116.78 2nv3 n LYS 95 Ca 0.10 -0.20 0.02 0.00 -2.02 0.00 0.00 58.31 56.22 2nv3 n LYS 95 Cb 0.60 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 2nv3 n LYS 95 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2nv3 s ASP 96 N -4.48 -0.03 0.23 4.39 1.47 -1.26 -4.44 116.67 112.55 2nv3 s ASP 96 Ca -0.08 -0.12 0.15 0.00 1.18 0.00 0.00 52.55 53.68 2nv3 s ASP 96 Cb 0.14 0.12 0.80 0.00 -0.34 0.00 0.00 42.92 43.64 2nv3 s ASP 96 CO 0.90 -0.23 1.44 0.41 0.68 0.00 0.00 175.17 178.37 2nv3 n THR 97 N -0.61 1.27 -0.05 2.11 -1.04 -1.01 -1.92 114.28 113.04 2nv3 n THR 97 Ca -0.05 0.67 -0.01 0.00 -2.04 0.00 0.00 64.05 62.62 2nv3 n THR 97 Cb 0.62 -1.67 -0.00 0.00 -1.82 0.00 0.00 70.33 67.46 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 -0.19 -2.82 3.64 -1.89 -3.02 116.57 112.29 2nv3 h LYS 98 Ca 0.00 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2nv3 h LYS 98 Cb 0.05 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2nv3 h LYS 98 CO 0.00 0.00 0.18 0.93 -2.27 0.00 0.00 179.45 178.29 2nv3 h GLU 99 N -0.88 0.00 -0.08 1.90 4.39 -1.88 -1.24 114.58 116.80 2nv3 h GLU 99 Ca 0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2nv3 h GLU 99 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2nv3 h GLU 99 CO 0.00 0.00 -0.21 0.00 -1.16 0.00 0.00 179.01 177.64 2nv3 h ALA 100 N 1.81 0.13 0.10 3.43 0.00 -1.51 -2.21 119.26 121.01 2nv3 h ALA 100 Ca 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2nv3 h ALA 100 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2nv3 h ALA 100 CO -0.00 0.09 -0.05 -0.07 0.00 0.00 0.00 179.25 179.22 2nv3 h LEU 101 N -0.20 -0.12 -0.50 0.00 3.38 -1.18 -2.91 115.31 113.78 2nv3 h LEU 101 Ca -0.00 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.82 2nv3 h LEU 101 Cb 0.82 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 2nv3 h LEU 101 CO 0.05 0.15 0.17 0.44 0.09 0.00 0.00 178.44 179.34 2nv3 h ASP 102 N -0.39 0.16 -0.85 -0.43 5.19 -1.37 0.30 116.42 119.03 2nv3 h ASP 102 Ca -0.01 0.07 0.16 0.00 -0.62 0.00 0.00 57.03 56.62 2nv3 h ASP 102 Cb 0.32 0.06 -0.10 0.00 0.18 0.00 0.00 39.33 39.79 2nv3 h ASP 102 CO 0.02 0.12 0.42 0.11 -3.12 0.00 0.00 179.24 176.79 2nv3 h LYS 103 N 0.34 0.55 0.00 3.56 1.79 -1.34 0.32 116.57 121.78 2nv3 h LYS 103 Ca 0.24 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2nv3 h LYS 103 Cb 0.27 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2nv3 h LYS 103 CO -0.26 0.36 -0.30 0.82 -1.08 0.00 0.00 179.45 178.99 2nv3 h ILE 104 N 0.57 0.00 0.00 1.86 2.04 -1.09 -2.98 117.51 117.90 2nv3 h ILE 104 Ca 0.48 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2nv3 h ILE 104 Cb 0.74 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 2nv3 h ILE 104 CO -0.40 0.00 -0.41 -0.08 0.00 0.00 0.00 178.15 177.26 2nv3 h GLU 105 N 0.00 0.00 0.03 2.37 4.22 0.29 -3.18 114.58 118.31 2nv3 h GLU 105 Ca 0.00 0.00 -0.36 0.00 0.08 0.00 0.00 59.36 59.08 2nv3 h GLU 105 Cb 0.88 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.08 2nv3 h GLU 105 CO 0.00 0.00 -2.00 -1.91 -2.18 0.00 0.00 179.01 172.92 2nv3 n GLU 106 N -2.20 0.63 0.29 1.92 2.13 0.76 -3.54 120.64 120.63 2nv3 n GLU 106 Ca 0.04 0.35 0.17 0.00 0.66 0.00 0.00 57.16 58.37 2nv3 n GLU 106 Cb 0.44 -1.63 0.87 0.00 0.27 0.00 0.00 31.44 31.39 2nv3 n GLU 106 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2nv3 h GLU 107 N -0.60 0.00 -0.36 5.31 5.08 -1.67 -1.69 114.58 120.64 2nv3 h GLU 107 Ca -0.51 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.77 2nv3 h GLU 107 Cb 1.65 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.85 2nv3 h GLU 107 CO -0.19 0.05 0.03 1.04 -1.00 0.00 0.00 179.01 178.94 2nv3 n GLN 108 N -3.37 2.77 0.05 2.33 6.02 -1.20 -4.51 117.38 119.46 2nv3 n GLN 108 Ca -0.02 -2.97 -0.13 0.00 -0.01 0.00 0.00 57.00 53.87 2nv3 n GLN 108 Cb 0.20 -1.90 -0.14 0.00 1.02 0.00 0.00 30.24 29.42 2nv3 n GLN 108 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 2nv3 h ASN 109 N 1.72 0.24 0.05 1.08 -0.73 -1.35 -3.34 115.58 113.26 2nv3 h ASN 109 Ca 0.10 -0.34 -0.20 0.00 1.87 0.00 0.00 56.30 57.73 2nv3 h ASN 109 Cb 1.65 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 40.16 2nv3 h ASN 109 CO 0.35 1.28 -0.73 0.11 -0.37 0.00 0.00 177.43 178.07 2nv3 h LYS 110 N 0.04 0.60 -0.55 6.67 1.57 -1.79 -3.13 116.57 119.98 2nv3 h LYS 110 Ca -0.21 -0.48 0.10 0.00 -1.87 0.00 0.00 60.65 58.19 2nv3 h LYS 110 Cb 1.97 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 34.34 2nv3 h LYS 110 CO 0.14 1.10 0.37 0.66 -0.57 0.00 0.00 179.45 181.15 2nv3 h SER 111 N 0.41 0.30 -0.34 0.86 4.64 -1.85 -0.82 113.55 116.75 2nv3 h SER 111 Ca -0.04 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2nv3 h SER 111 Cb 1.33 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 2nv3 h SER 111 CO 0.14 0.18 0.19 0.50 -0.87 0.00 0.00 176.83 176.97 2nv3 h LYS 112 N 0.34 0.48 -0.02 4.77 1.63 -1.66 0.14 116.57 122.25 2nv3 h LYS 112 Ca 0.25 -0.06 -0.13 0.00 -0.85 0.00 0.00 60.65 59.86 2nv3 h LYS 112 Cb 0.55 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 2nv3 h LYS 112 CO -0.06 0.41 -0.59 0.87 -3.45 0.00 0.00 179.45 176.63 2nv3 h LYS 113 N 0.43 0.07 0.00 1.90 1.57 -1.39 -2.97 116.57 116.18 2nv3 h LYS 113 Ca 0.12 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 2nv3 h LYS 113 Cb 0.07 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2nv3 h LYS 113 CO -0.02 0.64 -0.59 0.87 -0.57 0.00 0.00 179.45 179.78 2nv3 h LYS 114 N 0.05 0.00 0.00 3.15 1.79 -0.82 0.66 116.57 121.40 2nv3 h LYS 114 Ca -0.01 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 2nv3 h LYS 114 Cb 1.05 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.70 2nv3 h LYS 114 CO 0.08 0.59 -0.12 0.00 -1.08 0.00 0.00 179.45 178.92 2nv3 h ALA 115 N 1.41 1.73 -1.28 3.86 0.00 -0.57 -3.39 119.26 121.03 2nv3 h ALA 115 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2nv3 h ALA 115 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2nv3 h ALA 115 CO 0.08 0.15 0.00 1.04 0.00 0.00 0.00 179.25 180.52 2nv3 n GLN 116 N -4.30 0.00 -2.86 0.00 6.02 -1.16 -4.99 117.38 110.08 2nv3 n GLN 116 Ca -0.03 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.79 2nv3 n GLN 116 Cb 0.19 -0.07 0.00 0.00 1.02 0.00 0.00 30.24 31.38 2nv3 n GLN 116 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2nv3 n GLN 117 N -1.91 -3.00 0.00 -1.09 7.27 0.21 -4.31 117.38 114.54 2nv3 n GLN 117 Ca 0.00 0.60 0.00 0.00 0.07 0.00 0.00 57.00 57.67 2nv3 n GLN 117 Cb 0.00 -5.27 0.00 0.00 2.41 0.00 0.00 30.24 27.38 2nv3 n GLN 117 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2nv3 n ALA 118 N -2.88 0.00 -1.05 1.69 0.00 -1.26 -4.95 120.51 112.06 2nv3 n ALA 118 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 2nv3 n ALA 118 Cb 0.59 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.32 2nv3 n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nv3 n ALA 119 N -0.61 4.80 -1.22 0.00 0.00 -1.26 -4.30 120.51 117.92 2nv3 n ALA 119 Ca 0.00 -2.42 -0.02 0.00 0.00 0.00 0.00 53.44 51.00 2nv3 n ALA 119 Cb 0.00 -1.30 0.23 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.33 4.02 -1.51 0.00 0.00 -1.26 -4.48 120.51 116.94 2nv3 n ALA 120 Ca 0.45 -2.73 0.03 0.00 0.00 0.00 0.00 53.44 51.18 2nv3 n ALA 120 Cb 1.45 -0.86 0.20 0.00 0.00 0.00 0.00 19.45 20.24 2nv3 n ALA 120 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2nv3 n ASP 121 N -0.80 2.03 -4.74 0.00 5.75 -1.26 -5.04 116.55 112.50 2nv3 n ASP 121 Ca 0.33 -3.80 -0.41 0.00 -0.01 0.00 0.00 54.79 50.89 2nv3 n ASP 121 Cb 1.09 -0.56 -0.03 0.00 -1.03 0.00 0.00 41.12 40.60 2nv3 n ASP 121 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2nv3 s THR 122 N -3.21 3.23 0.31 2.12 -4.23 -1.26 -4.75 115.64 107.84 2nv3 s THR 122 Ca 0.40 1.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.91 2nv3 s THR 122 Cb 0.38 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.57 2nv3 s THR 122 CO -0.04 0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 2nv3 n GLY 123 N 2.41 -1.62 3.75 3.99 0.00 -1.26 -5.17 105.19 107.29 2nv3 n GLY 123 Ca 0.06 0.42 -0.08 0.00 0.00 0.00 0.00 46.02 46.42 2nv3 n GLY 123 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2nv3 s ASN 124 N -2.00 -0.27 0.27 1.61 3.84 -1.26 -5.18 114.94 111.95 2nv3 s ASN 124 Ca 0.00 -0.58 0.02 0.00 0.21 0.00 0.00 52.86 52.51 2nv3 s ASN 124 Cb 0.00 0.68 -0.03 0.00 -0.55 0.00 0.00 41.25 41.35 2nv3 s ASN 124 CO 0.00 -1.26 0.44 0.54 -2.79 0.00 0.00 177.10 174.03 2nv3 s ASN 125 N -2.91 6.33 -0.38 -4.21 2.20 -1.26 -5.08 114.94 109.62 2nv3 s ASN 125 Ca 0.11 0.31 0.03 0.00 -0.94 0.00 0.00 52.86 52.37 2nv3 s ASN 125 Cb -0.04 -1.97 0.11 0.00 -2.00 0.00 0.00 41.25 37.35 2nv3 s ASN 125 CO 0.04 -0.15 0.11 -0.94 -2.94 0.00 0.00 177.10 173.23 2nv3 s SER 126 N -3.77 4.81 -0.09 3.54 1.04 -1.26 -5.08 113.70 112.87 2nv3 s SER 126 Ca 0.37 -2.27 0.04 0.00 0.48 0.00 0.00 55.95 54.57 2nv3 s SER 126 Cb -0.10 -1.67 -0.01 0.00 0.10 0.00 0.00 66.02 64.35 2nv3 s SER 126 CO 0.32 -0.39 -0.22 -1.58 0.98 0.00 0.00 173.24 172.34 2nv3 s GLN 127 N 0.75 2.97 -0.27 4.02 0.74 -1.26 -5.11 119.66 121.50 2nv3 s GLN 127 Ca 0.12 -0.85 -0.22 0.00 0.05 0.00 0.00 55.36 54.45 2nv3 s GLN 127 Cb -0.21 -2.32 0.07 0.00 1.10 0.00 0.00 33.01 31.66 2nv3 s GLN 127 CO -0.06 0.24 0.69 0.54 -0.55 0.00 0.00 175.29 176.15 2nv3 s VAL 128 N 0.20 -0.00 0.61 1.34 0.11 -1.26 -5.17 120.40 116.23 2nv3 s VAL 128 Ca -0.14 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.84 2nv3 s VAL 128 Cb -0.17 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.72 2nv3 s VAL 128 CO 0.07 0.00 0.95 -0.55 -3.33 0.00 0.00 175.10 172.24 2nv3 s SER 129 N 0.67 5.63 0.85 3.54 0.15 -1.26 -5.09 113.70 118.19 2nv3 s SER 129 Ca -0.02 0.87 -0.07 0.00 0.70 0.00 0.00 55.95 57.43 2nv3 s SER 129 Cb -0.05 -1.84 0.13 0.00 -1.71 0.00 0.00 66.02 62.56 2nv3 s SER 129 CO -0.04 -1.09 0.84 0.00 1.20 0.00 0.00 173.24 174.14 2nv3 n GLN 130 N -2.68 -0.50 -4.75 5.44 10.64 -1.26 -5.12 117.38 119.15 2nv3 n GLN 130 Ca 0.05 -1.63 -0.33 0.00 -1.83 0.00 0.00 57.00 53.27 2nv3 n GLN 130 Cb 0.57 -0.76 -0.08 0.00 -0.86 0.00 0.00 30.24 29.12 2nv3 n GLN 130 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2nv3 s ASN 131 N -4.18 4.10 0.00 2.61 2.20 -1.26 -5.36 114.94 113.05 2nv3 s ASN 131 Ca 0.50 -1.64 0.18 0.00 -0.94 0.00 0.00 52.86 50.97 2nv3 s ASN 131 Cb -0.02 0.46 1.08 0.00 -2.00 0.00 0.00 41.25 40.77 2nv3 s ASN 131 CO 0.34 -0.83 1.48 0.00 -2.94 0.00 0.00 177.10 175.15