#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 2.82 -1.99 4.61 0.00 -1.26 -4.92 120.51 119.76 2nv3 n ALA 3 Ca 0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 53.44 52.73 2nv3 n ALA 3 Cb 0.00 -1.04 0.04 0.00 0.00 0.00 0.00 19.45 18.45 2nv3 n ALA 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2nv3 s ARG 4 N -2.20 2.50 0.04 0.00 1.81 -1.26 -5.13 118.95 114.71 2nv3 s ARG 4 Ca 0.30 -1.04 -0.00 0.00 -1.72 0.00 0.00 55.73 53.27 2nv3 s ARG 4 Cb 0.20 -2.56 0.00 0.00 -0.45 0.00 0.00 34.95 32.14 2nv3 s ARG 4 CO 0.41 -0.69 0.05 0.00 -0.68 0.00 0.00 175.30 174.40 2nv3 n ALA 5 N -2.25 -0.05 -3.35 2.13 0.00 -1.26 -4.95 120.51 110.78 2nv3 n ALA 5 Ca 0.10 -0.17 -0.20 0.00 0.00 0.00 0.00 53.44 53.17 2nv3 n ALA 5 Cb 0.60 0.14 0.06 0.00 0.00 0.00 0.00 19.45 20.24 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 -2.01 -5.67 0.06 0.00 7.64 -1.26 -4.91 113.62 107.47 2nv3 n SER 6 Ca -0.00 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.46 2nv3 n SER 6 Cb 0.06 -4.31 0.00 0.00 -1.01 0.00 0.00 64.21 58.95 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 -4.58 1.05 0.00 0.44 0.31 -1.26 -5.06 118.33 109.23 2nv3 n VAL 7 Ca -0.01 0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.67 2nv3 n VAL 7 Cb 0.56 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 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 -3.44 0.00 -2.43 3.52 0.00 -1.26 -4.92 120.51 111.98 2nv3 n ALA 8 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2nv3 n ALA 8 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.78 -4.75 0.00 0.00 2.88 -1.26 -4.54 113.62 104.17 2nv3 n SER 9 Ca 0.00 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 2nv3 n SER 9 Cb 0.00 -3.18 0.00 0.00 -0.75 0.00 0.00 64.21 60.28 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 -1.37 3.87 0.07 0.46 0.00 -1.26 -4.98 105.19 101.98 2nv3 n GLY 10 Ca -0.03 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 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 2.00 -0.02 0.00 -1.97 -3.34 103.07 99.74 2nv3 h GLY 11 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2nv3 h GLY 11 CO 0.00 0.00 -0.10 0.83 0.00 0.00 0.00 176.54 177.27 2nv3 h GLU 12 N -1.00 0.00 -0.70 4.80 5.08 -1.91 -2.46 114.58 118.39 2nv3 h GLU 12 Ca -0.08 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2nv3 h GLU 12 Cb 0.66 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 2nv3 h GLU 12 CO -0.05 0.10 0.40 1.25 -1.00 0.00 0.00 179.01 179.71 2nv3 h LEU 13 N 0.00 0.61 -0.86 1.33 6.46 -1.96 0.28 115.31 121.16 2nv3 h LEU 13 Ca -0.00 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 2nv3 h LEU 13 Cb 0.18 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 39.97 2nv3 h LEU 13 CO 0.01 0.39 0.49 0.44 -0.62 0.00 0.00 178.44 179.16 2nv3 h ASP 14 N 0.74 1.06 -0.20 1.25 3.32 -1.56 -2.46 116.42 118.58 2nv3 h ASP 14 Ca 0.31 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 57.13 2nv3 h ASP 14 Cb 0.18 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2nv3 h ASP 14 CO -0.18 0.84 -0.46 0.11 -1.72 0.00 0.00 179.24 177.84 2nv3 h LYS 15 N 1.20 0.67 -0.20 3.56 1.57 -1.35 -2.92 116.57 119.11 2nv3 h LYS 15 Ca 0.31 -0.45 0.06 0.00 -1.87 0.00 0.00 60.65 58.69 2nv3 h LYS 15 Cb 0.00 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.31 2nv3 h LYS 15 CO -0.05 1.07 -0.25 2.35 -0.57 0.00 0.00 179.45 182.00 2nv3 h TRP 16 N 0.36 -0.67 0.00 -1.35 2.91 -0.24 0.34 115.95 117.31 2nv3 h TRP 16 Ca -0.00 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.06 2nv3 h TRP 16 Cb 1.07 0.33 0.00 0.00 -0.51 0.00 0.00 29.16 30.04 2nv3 h TRP 16 CO 0.09 -0.33 0.00 0.39 -1.03 0.00 0.00 178.44 177.56 2nv3 n GLU 17 N -5.38 0.65 0.05 2.65 1.02 -0.95 -2.52 120.64 116.16 2nv3 n GLU 17 Ca -0.02 0.01 -0.03 0.00 -0.02 0.00 0.00 57.16 57.09 2nv3 n GLU 17 Cb 0.29 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.13 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 0.00 -6.46 3.49 3.64 -0.12 -3.41 116.57 113.71 2nv3 h LYS 18 Ca 0.00 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.84 2nv3 h LYS 18 Cb 0.01 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2nv3 h LYS 18 CO 0.00 0.55 0.58 0.42 -2.27 0.00 0.00 179.45 178.73 2nv3 s ILE 19 N -2.80 4.07 -0.30 2.00 1.09 -1.05 -4.97 121.20 119.25 2nv3 s ILE 19 Ca -0.01 1.47 -0.21 0.00 -1.10 0.00 0.00 60.65 60.81 2nv3 s ILE 19 Cb 0.09 -3.95 -0.01 0.00 -1.06 0.00 0.00 42.46 37.53 2nv3 s ILE 19 CO 0.80 0.10 0.65 -0.13 -0.10 0.00 0.00 174.94 176.26 2nv3 s ARG 20 N 1.23 3.94 0.51 2.79 0.52 -1.26 -1.80 118.95 124.88 2nv3 s ARG 20 Ca 0.58 0.37 0.30 0.00 -0.52 0.00 0.00 55.73 56.46 2nv3 s ARG 20 Cb -0.29 -3.72 1.41 0.00 0.52 0.00 0.00 34.95 32.87 2nv3 s ARG 20 CO 0.28 -0.56 1.85 -0.07 0.02 0.00 0.00 175.30 176.82 2nv3 h LEU 21 N 9.17 0.10 -9.20 2.53 3.38 -1.45 -1.57 115.31 118.27 2nv3 h LEU 21 Ca -0.26 0.01 -0.64 0.00 0.09 0.00 0.00 57.88 57.08 2nv3 h LEU 21 Cb 1.12 -0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.70 2nv3 h LEU 21 CO 0.81 0.03 -0.77 -0.13 0.09 0.00 0.00 178.44 178.47 2nv3 s ARG 22 N -5.08 1.85 0.11 1.13 0.52 -1.26 -3.98 118.95 112.24 2nv3 s ARG 22 Ca -0.06 -1.32 -0.14 0.00 -0.52 0.00 0.00 55.73 53.69 2nv3 s ARG 22 Cb 0.22 -2.06 -0.07 0.00 0.52 0.00 0.00 34.95 33.56 2nv3 s ARG 22 CO 0.78 0.43 1.43 -1.00 0.02 0.00 0.00 175.30 176.97 2nv3 h PRO 23 N 3.15 0.76 -0.13 3.54 0.13 -1.89 -3.30 132.00 134.27 2nv3 h PRO 23 Ca -0.47 -0.40 -0.08 0.00 -0.87 0.00 0.00 66.00 64.18 2nv3 h PRO 23 Cb 1.20 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2nv3 h PRO 23 CO 0.51 1.03 -0.42 0.41 -0.23 0.00 0.00 178.00 179.30 2nv3 n GLY 24 N 0.16 5.18 0.00 1.56 0.00 -1.26 -4.94 105.19 105.89 2nv3 n GLY 24 Ca -0.03 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.10 3.44 0.00 -0.02 0.00 -1.24 -5.06 105.19 101.21 2nv3 n GLY 25 Ca 0.24 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.40 -0.21 -2.95 1.61 5.02 -1.26 -4.92 118.16 115.05 2nv3 n LYS 26 Ca 0.00 -0.37 -0.32 0.00 -2.02 0.00 0.00 58.31 55.60 2nv3 n LYS 26 Cb 0.00 -0.86 -0.05 0.00 -0.02 0.00 0.00 35.03 34.10 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 -0.08 3.96 0.12 1.97 1.02 -1.26 -5.01 119.74 120.47 2nv3 s LYS 27 Ca 0.00 0.69 0.01 0.00 0.02 0.00 0.00 55.97 56.70 2nv3 s LYS 27 Cb 0.00 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.94 2nv3 s LYS 27 CO 0.00 0.04 0.05 1.04 -0.92 0.00 0.00 175.35 175.56 2nv3 n GLN 28 N -0.77 0.69 -3.00 1.68 3.00 -1.26 -1.36 117.38 116.36 2nv3 n GLN 28 Ca 0.04 -1.05 -0.36 0.00 -0.01 0.00 0.00 57.00 55.61 2nv3 n GLN 28 Cb 0.54 0.63 -0.06 0.00 0.00 0.00 0.00 30.24 31.34 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 -2.09 3.65 0.15 1.08 2.02 -0.74 -4.52 117.35 116.91 2nv3 s TYR 29 Ca 0.07 1.51 0.04 0.00 -0.37 0.00 0.00 57.07 58.32 2nv3 s TYR 29 Cb 0.00 -2.71 -0.04 0.00 -0.40 0.00 0.00 41.96 38.81 2nv3 s TYR 29 CO 0.05 0.29 -0.08 0.15 -1.57 0.00 0.00 175.55 174.39 2nv3 s LYS 30 N -2.03 1.07 0.36 -0.62 1.02 -1.26 -4.01 119.74 114.27 2nv3 s LYS 30 Ca 0.46 -1.47 0.18 0.00 0.02 0.00 0.00 55.97 55.16 2nv3 s LYS 30 Cb -0.17 -0.55 1.20 0.00 -0.52 0.00 0.00 37.83 37.79 2nv3 s LYS 30 CO 0.22 0.03 1.64 -0.07 -0.92 0.00 0.00 175.35 176.25 2nv3 h LEU 31 N 2.76 0.43 -1.23 3.17 4.07 -1.99 0.32 115.31 122.84 2nv3 h LEU 31 Ca -0.37 0.20 0.44 0.00 0.08 0.00 0.00 57.88 58.24 2nv3 h LEU 31 Cb 1.19 0.16 -0.15 0.00 1.08 0.00 0.00 40.66 42.94 2nv3 h LEU 31 CO 0.64 -0.21 0.74 0.50 -1.08 0.00 0.00 178.44 179.02 2nv3 h LYS 32 N 0.21 0.03 0.12 1.13 3.11 -1.99 0.41 116.57 119.59 2nv3 h LYS 32 Ca 0.77 -0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 58.46 2nv3 h LYS 32 Cb 1.93 -0.01 0.02 0.00 -1.00 0.00 0.00 32.23 33.18 2nv3 h LYS 32 CO -0.61 0.02 -0.67 0.45 -2.81 0.00 0.00 179.45 175.82 2nv3 h HIS 33 N 0.03 0.45 -0.29 1.91 -0.00 -0.77 -0.35 115.15 116.12 2nv3 h HIS 33 Ca 0.86 -0.33 0.08 0.00 -0.00 0.00 0.00 60.37 60.99 2nv3 h HIS 33 Cb 2.53 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 29.92 2nv3 h HIS 33 CO -0.01 1.26 0.28 0.82 -0.00 0.00 0.00 177.93 180.28 2nv3 h ILE 34 N -0.48 0.52 0.06 2.45 2.04 -0.28 0.26 117.51 122.08 2nv3 h ILE 34 Ca -0.12 0.00 -0.37 0.00 1.00 0.00 0.00 64.86 65.38 2nv3 h ILE 34 Cb 1.53 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.35 2nv3 h ILE 34 CO 0.12 0.00 -2.16 0.52 0.00 0.00 0.00 178.15 176.64 2nv3 n VAL 35 N -3.92 1.64 0.29 1.67 0.31 -0.28 -2.95 118.33 115.07 2nv3 n VAL 35 Ca 0.04 -0.66 0.17 0.00 -0.01 0.00 0.00 64.34 63.88 2nv3 n VAL 35 Cb 0.44 -1.46 0.84 0.00 -0.91 0.00 0.00 33.84 32.75 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 -0.22 -2.39 115.95 123.91 2nv3 h TRP 36 Ca -0.47 0.00 -0.14 0.00 2.11 0.00 0.00 58.89 60.39 2nv3 h TRP 36 Cb 2.00 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 29.04 2nv3 h TRP 36 CO 0.05 0.05 -1.12 0.00 -2.79 0.00 0.00 178.44 174.63 2nv3 n ALA 37 N -2.16 0.73 -0.34 2.65 0.00 0.00 -3.36 120.51 118.04 2nv3 n ALA 37 Ca -0.01 -0.60 0.22 0.00 0.00 0.00 0.00 53.44 53.04 2nv3 n ALA 37 Cb 0.22 -0.15 0.47 0.00 0.00 0.00 0.00 19.45 19.99 2nv3 n ALA 37 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2nv3 h SER 38 N -1.00 0.52 0.02 0.00 0.87 -1.54 -0.57 113.55 111.85 2nv3 h SER 38 Ca -0.21 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2nv3 h SER 38 Cb 1.00 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2nv3 h SER 38 CO -0.13 0.07 -0.01 -0.09 -0.53 0.00 0.00 176.83 176.14 2nv3 h ARG 39 N 0.44 -0.03 -0.65 2.24 2.43 -1.62 -3.23 114.38 113.96 2nv3 h ARG 39 Ca 0.63 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.94 2nv3 h ARG 39 Cb 1.47 0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 30.91 2nv3 h ARG 39 CO -0.38 0.60 -0.10 1.49 -1.51 0.00 0.00 179.97 180.06 2nv3 h GLU 40 N -0.68 0.04 -0.75 0.20 4.57 -1.15 0.87 114.58 117.67 2nv3 h GLU 40 Ca -0.00 -0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.31 2nv3 h GLU 40 Cb 0.64 -0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.13 2nv3 h GLU 40 CO 0.00 0.02 0.31 -0.07 -1.18 0.00 0.00 179.01 178.10 2nv3 h LEU 41 N 0.04 0.30 -2.05 1.64 3.38 -1.36 0.31 115.31 117.58 2nv3 h LEU 41 Ca 0.33 0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.51 2nv3 h LEU 41 Cb 0.52 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2nv3 h LEU 41 CO -0.63 0.12 0.37 -0.08 0.09 0.00 0.00 178.44 178.31 2nv3 h GLU 42 N 0.46 0.00 0.00 1.13 4.81 -0.32 0.20 114.58 120.87 2nv3 h GLU 42 Ca 0.41 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.37 2nv3 h GLU 42 Cb 0.60 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 2nv3 h GLU 42 CO -0.39 0.00 -1.55 -0.09 -0.73 0.00 0.00 179.01 176.26 2nv3 h ARG 43 N 0.00 0.00 -0.98 1.92 9.65 -0.30 -3.33 114.38 121.34 2nv3 h ARG 43 Ca 0.17 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.94 2nv3 h ARG 43 Cb 0.91 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.42 2nv3 h ARG 43 CO -0.00 0.56 0.14 1.19 2.80 0.00 0.00 179.97 184.66 2nv3 n PHE 44 N -3.09 0.76 -1.84 2.20 3.72 0.49 -4.79 117.46 114.92 2nv3 n PHE 44 Ca -0.13 -0.73 -0.19 0.00 -0.05 0.00 0.00 57.45 56.35 2nv3 n PHE 44 Cb 1.01 -0.39 -0.06 0.00 -0.94 0.00 0.00 39.48 39.10 2nv3 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2nv3 n ALA 45 N 0.08 -0.41 -4.09 4.37 0.00 -1.13 -4.94 120.51 114.39 2nv3 n ALA 45 Ca 0.14 0.25 -0.32 0.00 0.00 0.00 0.00 53.44 53.51 2nv3 n ALA 45 Cb 0.75 -1.93 -0.15 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.71 2.11 0.38 0.00 1.01 0.09 -5.02 120.40 116.26 2nv3 s VAL 46 Ca 0.00 -1.37 -0.28 0.00 0.00 0.00 0.00 61.98 60.33 2nv3 s VAL 46 Cb 0.00 -2.11 -0.11 0.00 0.00 0.00 0.00 36.38 34.16 2nv3 s VAL 46 CO 0.00 0.18 1.44 0.59 0.00 0.00 0.00 175.10 177.31 2nv3 n ASN 47 N 4.51 3.54 0.00 3.32 4.13 -1.26 -2.18 115.26 127.31 2nv3 n ASN 47 Ca -0.17 1.21 0.07 0.00 1.68 0.00 0.00 54.58 57.38 2nv3 n ASN 47 Cb 0.45 -1.59 0.37 0.00 -1.54 0.00 0.00 39.78 37.47 2nv3 n ASN 47 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2nv3 n PRO 48 N 0.41 0.21 0.00 3.52 -0.04 -1.26 -2.80 135.00 135.04 2nv3 n PRO 48 Ca 0.02 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 2nv3 n PRO 48 Cb 0.38 -1.50 0.68 0.00 -0.04 0.00 0.00 33.50 33.02 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 -0.04 -0.74 0.00 0.55 0.00 -1.26 -2.65 105.19 101.05 2nv3 n GLY 49 Ca 0.07 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.02 0.16 -0.01 0.99 4.77 -1.12 -3.22 117.00 117.54 2nv3 n LEU 50 Ca 0.17 0.35 0.13 0.00 -0.03 0.00 0.00 56.01 56.63 2nv3 n LEU 50 Cb 0.09 -0.42 0.52 0.00 -2.33 0.00 0.00 43.42 41.27 2nv3 n LEU 50 CO 0.13 0.04 0.81 0.18 -1.33 0.00 0.00 177.39 177.22 2nv3 n LEU 51 N -1.50 0.19 -2.80 2.23 4.77 -1.09 -3.41 117.00 115.39 2nv3 n LEU 51 Ca 0.07 0.30 -0.38 0.00 -0.03 0.00 0.00 56.01 55.97 2nv3 n LEU 51 Cb 0.34 -0.39 0.04 0.00 -2.33 0.00 0.00 43.42 41.08 2nv3 n LEU 51 CO 0.30 0.04 1.39 -1.84 -1.33 0.00 0.00 177.39 175.95 2nv3 n GLU 52 N -1.44 2.82 0.00 3.23 0.28 -1.20 -4.82 120.64 119.51 2nv3 n GLU 52 Ca 0.08 -3.60 0.00 0.00 -0.16 0.00 0.00 57.16 53.47 2nv3 n GLU 52 Cb 0.33 -2.27 0.00 0.00 1.43 0.00 0.00 31.44 30.93 2nv3 n GLU 52 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 2nv3 n THR 53 N -0.58 0.00 -0.35 3.84 5.66 -1.25 -4.97 114.28 116.63 2nv3 n THR 53 Ca 0.53 0.00 0.25 0.00 -3.05 0.00 0.00 64.05 61.78 2nv3 n THR 53 Cb 0.33 0.00 0.50 0.00 -1.55 0.00 0.00 70.33 69.60 2nv3 n THR 53 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 2nv3 h SER 54 N 0.00 0.48 0.49 1.09 4.64 -1.87 0.80 113.55 119.19 2nv3 h SER 54 Ca 0.00 0.14 -0.18 0.00 -0.47 0.00 0.00 61.79 61.28 2nv3 h SER 54 Cb 0.00 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 2nv3 h SER 54 CO 0.00 -0.04 -0.78 -0.08 -0.87 0.00 0.00 176.83 175.06 2nv3 h GLU 55 N 0.35 0.22 0.00 4.77 4.81 -1.95 -2.99 114.58 119.79 2nv3 h GLU 55 Ca 0.70 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 2nv3 h GLU 55 Cb 1.70 0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.13 2nv3 h GLU 55 CO -0.47 0.89 0.00 0.41 -0.73 0.00 0.00 179.01 179.11 2nv3 n GLY 56 N 0.66 -1.00 0.09 1.92 0.00 0.27 -3.73 105.19 103.40 2nv3 n GLY 56 Ca -0.03 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 2nv3 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nv3 h ARG 58 N -1.00 0.00 -0.09 0.00 2.47 -1.63 0.68 114.38 114.81 2nv3 h ARG 58 Ca -0.13 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.43 2nv3 h ARG 58 Cb 0.94 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.27 2nv3 h ARG 58 CO -0.08 0.00 -0.54 0.37 0.56 0.00 0.00 179.97 180.28 2nv3 h GLN 59 N 0.00 0.52 -0.74 0.04 4.15 -1.75 -3.14 115.11 114.18 2nv3 h GLN 59 Ca 0.69 -0.44 0.21 0.00 0.77 0.00 0.00 58.65 59.88 2nv3 h GLN 59 Cb 2.86 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 30.62 2nv3 h GLN 59 CO -0.01 1.07 0.53 0.82 -1.93 0.00 0.00 178.83 179.32 2nv3 h ILE 60 N 0.11 0.64 0.01 2.39 2.04 0.26 0.29 117.51 123.24 2nv3 h ILE 60 Ca -0.04 -0.01 -0.19 0.00 1.00 0.00 0.00 64.86 65.62 2nv3 h ILE 60 Cb 1.19 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2nv3 h ILE 60 CO 0.11 0.00 -0.89 -0.07 0.00 0.00 0.00 178.15 177.30 2nv3 h LEU 61 N 0.02 0.11 -1.84 1.44 3.38 -1.48 -3.21 115.31 113.73 2nv3 h LEU 61 Ca 0.35 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2nv3 h LEU 61 Cb 1.39 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 2nv3 h LEU 61 CO -0.01 0.94 0.02 1.23 0.09 0.00 0.00 178.44 180.71 2nv3 h GLY 62 N 2.28 0.12 0.32 0.83 0.00 -0.38 0.70 103.07 106.93 2nv3 h GLY 62 Ca -0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 2nv3 h GLY 62 CO 0.13 0.05 -0.03 1.46 0.00 0.00 0.00 176.54 178.14 2nv3 h GLN 63 N 0.11 -0.09 0.00 4.80 4.20 -1.54 -3.23 115.11 119.37 2nv3 h GLN 63 Ca 0.03 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2nv3 h GLN 63 Cb 0.05 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2nv3 h GLN 63 CO -0.00 0.48 0.00 1.28 -0.67 0.00 0.00 178.83 179.92 2nv3 n LEU 64 N -4.82 0.37 0.30 1.46 4.77 -1.11 -3.82 117.00 114.15 2nv3 n LEU 64 Ca -0.08 0.55 -0.16 0.00 -0.03 0.00 0.00 56.01 56.28 2nv3 n LEU 64 Cb 0.30 -0.46 -0.09 0.00 -2.33 0.00 0.00 43.42 40.85 2nv3 n LEU 64 CO 0.29 -0.20 0.52 -0.61 -1.33 0.00 0.00 177.39 176.07 2nv3 h GLN 65 N 0.00 -0.91 0.00 3.23 4.15 0.40 0.72 115.11 122.70 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 0.51 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.41 2nv3 h GLN 65 CO 0.00 -0.61 0.00 -0.35 -1.93 0.00 0.00 178.83 175.94 2nv3 n PRO 66 N -5.15 0.49 -0.00 -2.39 -0.04 -1.25 -1.83 135.00 124.83 2nv3 n PRO 66 Ca -0.11 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.40 2nv3 n PRO 66 Cb 0.42 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.96 0.68 0.28 3.54 7.64 -0.65 -4.48 113.62 119.67 2nv3 n SER 67 Ca 0.11 -0.71 0.17 0.00 1.01 0.00 0.00 58.87 59.45 2nv3 n SER 67 Cb 0.05 1.04 0.84 0.00 -1.01 0.00 0.00 64.21 65.14 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 0.06 -3.43 3.38 -0.12 -0.86 115.31 114.34 2nv3 h LEU 68 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2nv3 h LEU 68 Cb 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2nv3 h LEU 68 CO 0.00 0.00 -1.95 1.67 0.09 0.00 0.00 178.44 178.25 2nv3 n GLN 69 N -3.13 0.67 -0.98 1.13 0.00 -1.26 -4.28 117.38 109.53 2nv3 n GLN 69 Ca -0.00 0.32 -0.21 0.00 -0.00 0.00 0.00 57.00 57.11 2nv3 n GLN 69 Cb 0.39 -1.66 0.07 0.00 0.00 0.00 0.00 30.24 29.03 2nv3 n GLN 69 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2nv3 n THR 70 N -3.77 2.93 -3.79 1.69 -1.04 -0.50 -4.89 114.28 104.91 2nv3 n THR 70 Ca -0.37 -1.89 -0.12 0.00 -2.04 0.00 0.00 64.05 59.63 2nv3 n THR 70 Cb 0.93 -1.15 -0.08 0.00 -1.82 0.00 0.00 70.33 68.21 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 -0.48 -0.08 0.00 3.41 0.00 -0.45 -4.99 107.32 104.74 2nv3 s GLY 71 Ca 0.41 0.03 0.00 0.00 0.00 0.00 0.00 44.72 45.16 2nv3 s GLY 71 CO 0.01 -0.17 0.00 -1.14 0.00 0.00 0.00 173.10 171.80 2nv3 n SER 72 N 0.90 0.00 0.07 1.64 3.41 -1.26 -4.84 113.62 113.53 2nv3 n SER 72 Ca -0.20 -0.46 0.07 0.00 -0.26 0.00 0.00 58.87 58.03 2nv3 n SER 72 Cb 0.58 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.86 2nv3 n SER 72 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2nv3 n GLU 73 N -0.46 0.08 -0.16 4.33 4.07 -1.26 -2.21 120.64 125.03 2nv3 n GLU 73 Ca 0.00 0.44 -0.10 0.00 -0.06 0.00 0.00 57.16 57.45 2nv3 n GLU 73 Cb 0.00 -1.69 0.03 0.00 -0.06 0.00 0.00 31.44 29.72 2nv3 n GLU 73 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 2nv3 h GLU 74 N 0.00 0.97 0.01 5.31 4.81 -2.00 -1.37 114.58 122.31 2nv3 h GLU 74 Ca 0.00 -0.38 -0.26 0.00 -0.13 0.00 0.00 59.36 58.59 2nv3 h GLU 74 Cb 0.15 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 2nv3 h GLU 74 CO 0.00 1.05 -1.39 1.25 -0.73 0.00 0.00 179.01 179.19 2nv3 h LEU 75 N 0.86 0.04 -1.06 1.64 5.85 -1.77 -3.30 115.31 117.56 2nv3 h LEU 75 Ca 0.12 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 2nv3 h LEU 75 Cb 0.72 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2nv3 h LEU 75 CO 0.06 1.06 -0.44 0.03 -0.34 0.00 0.00 178.44 178.80 2nv3 h ARG 76 N 0.01 0.00 -0.20 1.25 3.08 -1.47 -2.71 114.38 114.34 2nv3 h ARG 76 Ca -0.16 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.81 2nv3 h ARG 76 Cb 1.91 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.96 2nv3 h ARG 76 CO 0.11 0.44 -0.17 0.77 -1.07 0.00 0.00 179.97 180.04 2nv3 h SER 77 N 0.00 0.50 0.07 7.04 0.02 -1.34 -3.06 113.55 116.78 2nv3 h SER 77 Ca -0.00 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2nv3 h SER 77 Cb 0.84 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.24 2nv3 h SER 77 CO 0.06 0.86 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.50 2nv3 h LEU 78 N 0.15 -0.08 -0.65 5.07 -0.00 -1.62 -1.10 115.31 117.09 2nv3 h LEU 78 Ca 0.04 -0.12 0.12 0.00 -0.00 0.00 0.00 57.88 57.91 2nv3 h LEU 78 Cb 0.71 0.02 -0.12 0.00 -0.00 0.00 0.00 40.66 41.27 2nv3 h LEU 78 CO 0.04 0.08 -0.30 0.22 -0.00 0.00 0.00 178.44 178.48 2nv3 h TYR 79 N -0.23 -0.79 -0.11 1.13 3.20 -1.54 0.67 116.97 119.31 2nv3 h TYR 79 Ca -0.01 0.07 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 2nv3 h TYR 79 Cb 0.20 0.44 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 2nv3 h TYR 79 CO -0.03 -0.36 -0.29 -0.91 -1.64 0.00 0.00 178.16 174.93 2nv3 h ASN 80 N -0.11 0.20 -0.17 -2.11 4.21 -1.45 -2.51 115.58 113.64 2nv3 h ASN 80 Ca 0.27 -0.06 -0.15 0.00 1.21 0.00 0.00 56.30 57.57 2nv3 h ASN 80 Cb 0.55 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.69 2nv3 h ASN 80 CO -0.71 0.49 -0.42 0.74 -1.29 0.00 0.00 177.43 176.24 2nv3 h THR 81 N 0.18 1.29 0.00 2.81 2.02 0.10 -2.86 112.91 116.45 2nv3 h THR 81 Ca 0.03 -1.60 -0.05 0.00 0.77 0.00 0.00 66.41 65.56 2nv3 h THR 81 Cb 0.61 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 2nv3 h THR 81 CO 0.04 0.52 -0.22 0.40 0.37 0.00 0.00 175.52 176.63 2nv3 h ILE 82 N 0.58 0.52 0.00 3.11 2.04 0.37 -2.65 117.51 121.48 2nv3 h ILE 82 Ca 0.04 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.75 2nv3 h ILE 82 Cb 0.96 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 2nv3 h ILE 82 CO 0.09 0.22 -0.03 0.00 0.00 0.00 0.00 178.15 178.43 2nv3 n ALA 83 N -2.21 2.34 0.05 1.87 0.00 -0.97 -2.71 120.51 118.88 2nv3 n ALA 83 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.40 2nv3 n ALA 83 Cb 0.45 -1.46 -0.07 0.00 0.00 0.00 0.00 19.45 18.37 2nv3 n ALA 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2nv3 h VAL 84 N 0.00 0.43 0.14 0.00 2.07 -1.33 -3.33 116.25 114.24 2nv3 h VAL 84 Ca 0.00 -1.85 -0.33 0.00 0.82 0.00 0.00 66.70 65.34 2nv3 h VAL 84 Cb 0.65 1.96 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2nv3 h VAL 84 CO 0.00 0.25 -1.67 0.25 0.02 0.00 0.00 177.57 176.41 2nv3 h LEU 85 N 0.00 0.45 -1.35 2.57 5.85 -1.53 -3.34 115.31 117.96 2nv3 h LEU 85 Ca -0.13 -0.70 0.01 0.00 0.84 0.00 0.00 57.88 57.90 2nv3 h LEU 85 Cb 1.49 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 2nv3 h LEU 85 CO 0.04 1.59 0.44 0.22 -0.34 0.00 0.00 178.44 180.39 2nv3 h TYR 86 N 0.08 0.83 0.00 1.25 5.03 -1.67 -0.68 116.97 121.81 2nv3 h TYR 86 Ca -0.30 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.02 2nv3 h TYR 86 Cb 2.05 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 40.05 2nv3 h TYR 86 CO 0.08 0.53 -0.05 0.00 -1.32 0.00 0.00 178.16 177.39 2nv3 h VAL 88 N 0.00 1.36 0.08 0.00 2.07 -1.26 0.45 116.25 118.96 2nv3 h VAL 88 Ca -0.00 -2.33 -0.21 0.00 0.82 0.00 0.00 66.70 64.98 2nv3 h VAL 88 Cb 0.21 2.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2nv3 h VAL 88 CO 0.01 0.70 -1.05 0.45 0.02 0.00 0.00 177.57 177.70 2nv3 h HIS 89 N 0.30 0.31 0.00 1.57 3.86 -1.31 -3.32 115.15 116.55 2nv3 h HIS 89 Ca -0.08 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 58.90 2nv3 h HIS 89 Cb 1.55 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 30.01 2nv3 h HIS 89 CO 0.07 1.41 0.00 0.94 0.86 0.00 0.00 177.93 181.21 2nv3 n GLN 90 N -4.15 0.45 -3.08 2.45 7.27 0.13 -4.91 117.38 115.53 2nv3 n GLN 90 Ca -0.22 0.02 -0.13 0.00 0.07 0.00 0.00 57.00 56.74 2nv3 n GLN 90 Cb 0.78 -1.50 0.07 0.00 2.41 0.00 0.00 30.24 32.00 2nv3 n GLN 90 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2nv3 n ARG 91 N -1.26 -4.60 -3.33 3.69 0.63 -0.53 -4.98 116.66 106.28 2nv3 n ARG 91 Ca 0.14 0.67 -0.43 0.00 -0.92 0.00 0.00 57.85 57.31 2nv3 n ARG 91 Cb 0.21 -5.10 -0.08 0.00 0.45 0.00 0.00 32.46 27.94 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 5.11 -0.39 5.15 1.01 0.15 -5.01 121.20 123.93 2nv3 s ILE 92 Ca 0.06 -0.56 -0.27 0.00 0.00 0.00 0.00 60.65 59.88 2nv3 s ILE 92 Cb -0.01 -4.08 -0.06 0.00 0.01 0.00 0.00 42.46 38.32 2nv3 s ILE 92 CO 0.57 -0.49 2.34 -1.81 0.00 0.00 0.00 174.94 175.55 2nv3 s ASP 93 N 2.07 4.81 -0.02 3.58 1.01 -1.26 -4.75 116.67 122.10 2nv3 s ASP 93 Ca 0.10 1.37 -0.00 0.00 0.71 0.00 0.00 52.55 54.72 2nv3 s ASP 93 Cb -0.19 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 2nv3 s ASP 93 CO 0.11 -2.55 0.04 0.68 0.21 0.00 0.00 175.17 173.66 2nv3 s VAL 94 N 10.78 4.45 -0.08 -1.27 -7.23 -1.26 -4.96 120.40 120.83 2nv3 s VAL 94 Ca 0.98 -0.43 0.21 0.00 -1.81 0.00 0.00 61.98 60.93 2nv3 s VAL 94 Cb -0.23 -2.98 -0.32 0.00 0.56 0.00 0.00 36.38 33.42 2nv3 s VAL 94 CO 0.29 0.42 0.37 0.29 -0.31 0.00 0.00 175.10 176.16 2nv3 n LYS 95 N 1.48 0.67 -3.64 4.82 4.01 -1.26 -4.89 118.16 119.35 2nv3 n LYS 95 Ca -0.15 -0.15 -0.05 0.00 -0.51 0.00 0.00 58.31 57.45 2nv3 n LYS 95 Cb 0.53 -1.52 -0.02 0.00 -0.51 0.00 0.00 35.03 33.51 2nv3 n LYS 95 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 2nv3 s ASP 96 N -4.78 -0.24 0.61 4.39 1.47 -1.26 -4.13 116.67 112.74 2nv3 s ASP 96 Ca -0.09 -0.20 0.26 0.00 1.18 0.00 0.00 52.55 53.71 2nv3 s ASP 96 Cb 0.12 0.40 1.27 0.00 -0.34 0.00 0.00 42.92 44.37 2nv3 s ASP 96 CO 0.89 -0.70 1.70 0.74 0.68 0.00 0.00 175.17 178.47 2nv3 h THR 97 N 2.00 0.19 0.00 2.11 2.02 -1.41 -0.23 112.91 117.59 2nv3 h THR 97 Ca -0.23 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 2nv3 h THR 97 Cb 1.23 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2nv3 h THR 97 CO 0.28 0.00 -0.15 0.50 0.37 0.00 0.00 175.52 176.52 2nv3 h LYS 98 N 0.00 0.00 -0.93 6.66 3.64 -1.86 -3.26 116.57 120.83 2nv3 h LYS 98 Ca 0.23 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.84 2nv3 h LYS 98 Cb 1.55 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.31 2nv3 h LYS 98 CO -0.00 0.66 0.63 0.93 -2.27 0.00 0.00 179.45 179.39 2nv3 h GLU 99 N -1.00 0.25 0.48 1.90 4.39 -1.44 -1.34 114.58 117.82 2nv3 h GLU 99 Ca -0.03 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2nv3 h GLU 99 Cb 0.71 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2nv3 h GLU 99 CO -0.02 0.17 -0.23 0.00 -1.16 0.00 0.00 179.01 177.77 2nv3 h ALA 100 N 1.59 -0.64 -0.26 3.43 0.00 -1.46 0.28 119.26 122.20 2nv3 h ALA 100 Ca 0.48 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.26 2nv3 h ALA 100 Cb 1.42 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 2nv3 h ALA 100 CO -0.14 -0.78 -0.01 1.25 0.00 0.00 0.00 179.25 179.57 2nv3 h LEU 101 N -0.80 -0.13 -0.31 0.00 7.12 -1.32 0.07 115.31 119.93 2nv3 h LEU 101 Ca -0.07 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 2nv3 h LEU 101 Cb 0.56 0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.79 2nv3 h LEU 101 CO 0.11 -0.03 0.15 0.44 -0.13 0.00 0.00 178.44 178.98 2nv3 h ASP 102 N 0.06 0.41 0.30 1.25 3.32 -1.33 -2.23 116.42 118.20 2nv3 h ASP 102 Ca 0.13 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2nv3 h ASP 102 Cb 0.17 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 2nv3 h ASP 102 CO -0.22 0.41 -0.35 0.11 -1.72 0.00 0.00 179.24 177.46 2nv3 h LYS 103 N 0.37 -0.67 -0.56 3.56 1.79 0.01 0.38 116.57 121.44 2nv3 h LYS 103 Ca 0.11 0.05 0.16 0.00 -2.18 0.00 0.00 60.65 58.79 2nv3 h LYS 103 Cb 0.11 0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 2nv3 h LYS 103 CO -0.01 -0.45 0.41 0.82 -1.08 0.00 0.00 179.45 179.14 2nv3 h ILE 104 N -0.70 0.70 0.00 1.86 2.04 -0.95 0.25 117.51 120.72 2nv3 h ILE 104 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2nv3 h ILE 104 Cb 0.65 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2nv3 h ILE 104 CO -0.09 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.44 2nv3 n GLU 105 N -4.34 0.00 -0.30 2.37 -0.58 -0.55 -3.46 120.64 113.78 2nv3 n GLU 105 Ca 0.11 0.48 0.19 0.00 -0.42 0.00 0.00 57.16 57.52 2nv3 n GLU 105 Cb 0.64 -1.12 0.46 0.00 -0.57 0.00 0.00 31.44 30.85 2nv3 n GLU 105 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2nv3 h GLU 106 N 0.00 0.49 -0.97 3.49 4.57 -0.85 0.14 114.58 121.44 2nv3 h GLU 106 Ca 0.00 -0.03 0.18 0.00 -1.18 0.00 0.00 59.36 58.33 2nv3 h GLU 106 Cb 0.00 -0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 28.39 2nv3 h GLU 106 CO 0.00 0.32 0.61 1.49 -1.18 0.00 0.00 179.01 180.25 2nv3 h GLU 107 N 0.50 0.68 -0.08 1.92 4.22 -0.61 0.29 114.58 121.50 2nv3 h GLU 107 Ca 0.55 -0.04 -0.17 0.00 0.08 0.00 0.00 59.36 59.78 2nv3 h GLU 107 Cb 1.22 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2nv3 h GLU 107 CO -0.28 0.45 -0.68 0.37 -2.18 0.00 0.00 179.01 176.69 2nv3 h GLN 108 N 0.70 0.35 -0.07 1.92 -0.00 -0.75 -3.14 115.11 114.11 2nv3 h GLN 108 Ca 0.53 -0.27 -0.17 0.00 -0.00 0.00 0.00 58.65 58.74 2nv3 h GLN 108 Cb 0.91 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.44 2nv3 h GLN 108 CO -0.30 0.90 -0.70 -0.97 0.00 0.00 0.00 178.83 177.76 2nv3 h ASN 109 N 0.24 0.41 0.30 -0.69 -1.24 -0.65 -3.02 115.58 110.94 2nv3 h ASN 109 Ca -0.02 -0.26 -0.03 0.00 0.71 0.00 0.00 56.30 56.70 2nv3 h ASN 109 Cb 1.23 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 40.16 2nv3 h ASN 109 CO 0.11 0.98 -0.13 0.11 -1.29 0.00 0.00 177.43 177.22 2nv3 h LYS 110 N 0.24 0.00 -1.02 6.67 1.57 -0.52 -2.06 116.57 121.45 2nv3 h LYS 110 Ca -0.02 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.31 2nv3 h LYS 110 Cb 1.26 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.32 2nv3 h LYS 110 CO 0.12 0.13 0.57 0.45 -0.57 0.00 0.00 179.45 180.14 2nv3 n SER 111 N -3.80 4.12 0.00 0.86 2.88 -1.14 -4.25 113.62 112.29 2nv3 n SER 111 Ca -0.02 -3.35 0.00 0.00 -1.33 0.00 0.00 58.87 54.17 2nv3 n SER 111 Cb 0.23 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 2nv3 n SER 111 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2nv3 n LYS 112 N -0.80 0.00 -0.09 -1.46 4.81 -0.77 -4.75 118.16 115.10 2nv3 n LYS 112 Ca 0.50 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 58.07 2nv3 n LYS 112 Cb 1.35 -0.41 0.53 0.00 0.02 0.00 0.00 35.03 36.53 2nv3 n LYS 112 CO 0.00 0.00 0.00 1.57 1.17 0.00 0.00 177.40 180.14 2nv3 h LYS 113 N 0.00 0.33 -0.09 1.64 2.10 -1.73 0.11 116.57 118.93 2nv3 h LYS 113 Ca 0.00 -0.02 0.02 0.00 -2.00 0.00 0.00 60.65 58.65 2nv3 h LYS 113 Cb 0.80 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 32.06 2nv3 h LYS 113 CO 0.00 0.22 0.09 0.87 -2.00 0.00 0.00 179.45 178.63 2nv3 h LYS 114 N 0.34 0.00 -0.97 0.07 1.79 -1.86 0.04 116.57 116.00 2nv3 h LYS 114 Ca 0.29 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.35 2nv3 h LYS 114 Cb 0.68 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.08 2nv3 h LYS 114 CO -0.07 0.00 0.53 0.00 -1.08 0.00 0.00 179.45 178.82 2nv3 n ALA 115 N -2.37 5.09 -2.20 3.86 0.00 0.36 -4.11 120.51 121.15 2nv3 n ALA 115 Ca -0.01 -2.47 -0.04 0.00 0.00 0.00 0.00 53.44 50.92 2nv3 n ALA 115 Cb 0.19 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 2nv3 n ALA 115 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2nv3 n GLN 116 N -0.81 0.26 0.08 0.00 6.02 -0.00 -4.93 117.38 118.00 2nv3 n GLN 116 Ca 0.50 -1.26 -0.11 0.00 -0.01 0.00 0.00 57.00 56.12 2nv3 n GLN 116 Cb 1.49 0.35 -0.12 0.00 1.02 0.00 0.00 30.24 32.98 2nv3 n GLN 116 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 2nv3 h GLN 117 N 0.38 0.13 -0.10 -1.09 5.75 -1.70 -3.24 115.11 115.26 2nv3 h GLN 117 Ca -0.49 -0.22 0.03 0.00 -0.15 0.00 0.00 58.65 57.82 2nv3 h GLN 117 Cb 1.46 0.08 -0.00 0.00 1.07 0.00 0.00 27.48 30.09 2nv3 h GLN 117 CO -0.20 1.09 0.09 0.00 -2.65 0.00 0.00 178.83 177.16 2nv3 h ALA 118 N 0.82 1.83 -0.94 3.38 0.00 -1.91 -0.43 119.26 121.99 2nv3 h ALA 118 Ca -0.07 -0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.33 2nv3 h ALA 118 Cb 1.83 0.01 -0.29 0.00 0.00 0.00 0.00 17.79 19.34 2nv3 h ALA 118 CO 0.16 -0.14 0.61 0.00 0.00 0.00 0.00 179.25 179.89 2nv3 n ALA 119 N -2.42 5.61 -2.59 0.00 0.00 -1.22 -4.35 120.51 115.53 2nv3 n ALA 119 Ca -0.01 -3.02 -0.02 0.00 0.00 0.00 0.00 53.44 50.40 2nv3 n ALA 119 Cb 0.20 -1.43 0.03 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.11 -0.78 -2.46 0.00 0.00 -0.21 -4.99 120.51 110.96 2nv3 n ALA 120 Ca 0.58 -0.42 0.04 0.00 0.00 0.00 0.00 53.44 53.64 2nv3 n ALA 120 Cb 1.46 -0.74 0.03 0.00 0.00 0.00 0.00 19.45 20.20 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 -0.52 1.05 -4.77 0.00 5.75 -1.00 -4.94 116.55 112.12 2nv3 n ASP 121 Ca -0.11 -2.09 -0.37 0.00 -0.01 0.00 0.00 54.79 52.20 2nv3 n ASP 121 Cb 0.65 -0.31 -0.00 0.00 -1.03 0.00 0.00 41.12 40.42 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 -0.22 2.96 0.00 2.12 -4.23 -1.26 -4.76 115.64 110.25 2nv3 s THR 122 Ca 0.34 0.72 0.00 0.00 -1.18 0.00 0.00 61.69 61.57 2nv3 s THR 122 Cb 0.39 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.86 2nv3 s THR 122 CO -0.16 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 2nv3 n GLY 123 N 0.49 0.53 3.66 3.99 0.00 -1.26 -5.06 105.19 107.54 2nv3 n GLY 123 Ca 0.08 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 2nv3 n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2nv3 s ASN 124 N -4.00 -0.19 -0.02 1.61 0.01 -1.26 -5.19 114.94 105.90 2nv3 s ASN 124 Ca 0.00 -0.70 -0.30 0.00 -0.71 0.00 0.00 52.86 51.15 2nv3 s ASN 124 Cb 0.00 0.63 0.11 0.00 0.41 0.00 0.00 41.25 42.40 2nv3 s ASN 124 CO 0.00 -1.19 1.07 0.21 -1.51 0.00 0.00 177.10 175.69 2nv3 s ASN 125 N -2.95 -0.20 0.28 -1.22 3.84 -1.26 -5.19 114.94 108.25 2nv3 s ASN 125 Ca 0.15 -0.12 -0.04 0.00 0.21 0.00 0.00 52.86 53.06 2nv3 s ASN 125 Cb -0.03 0.30 -0.01 0.00 -0.55 0.00 0.00 41.25 40.96 2nv3 s ASN 125 CO 0.05 -0.51 0.39 -0.94 -2.79 0.00 0.00 177.10 173.30 2nv3 s SER 126 N -2.61 0.53 0.35 -4.21 1.04 -1.26 -5.19 113.70 102.36 2nv3 s SER 126 Ca 0.10 -1.33 -0.04 0.00 0.48 0.00 0.00 55.95 55.16 2nv3 s SER 126 Cb 0.00 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.70 2nv3 s SER 126 CO -0.04 -1.14 0.51 0.00 0.98 0.00 0.00 173.24 173.55 2nv3 s GLN 127 N -3.59 1.95 0.05 4.02 -2.07 -1.26 -5.18 119.66 113.58 2nv3 s GLN 127 Ca 0.31 -1.73 0.04 0.00 -1.82 0.00 0.00 55.36 52.16 2nv3 s GLN 127 Cb 0.01 0.46 -0.02 0.00 -1.09 0.00 0.00 33.01 32.37 2nv3 s GLN 127 CO 0.16 -0.82 -0.11 0.14 -1.32 0.00 0.00 175.29 173.34 2nv3 s VAL 128 N -2.98 0.86 -0.29 3.63 -7.23 -1.26 -5.14 120.40 107.98 2nv3 s VAL 128 Ca 0.29 -1.11 -0.12 0.00 -1.81 0.00 0.00 61.98 59.23 2nv3 s VAL 128 Cb -0.01 -0.85 0.12 0.00 0.56 0.00 0.00 36.38 36.20 2nv3 s VAL 128 CO 0.19 -0.23 0.69 -0.44 -0.31 0.00 0.00 175.10 175.01 2nv3 s SER 129 N -1.49 -1.05 -0.10 4.85 0.01 -1.26 -5.16 113.70 109.51 2nv3 s SER 129 Ca -0.04 1.50 0.04 0.00 1.31 0.00 0.00 55.95 58.76 2nv3 s SER 129 Cb -0.09 1.99 -0.00 0.00 0.21 0.00 0.00 66.02 68.12 2nv3 s SER 129 CO 0.01 -0.22 -0.24 -1.58 0.41 0.00 0.00 173.24 171.63 2nv3 s GLN 130 N 2.48 3.00 0.00 12.44 -0.44 -1.26 -4.98 119.66 130.91 2nv3 s GLN 130 Ca -0.07 -0.87 0.00 0.00 -2.50 0.00 0.00 55.36 51.92 2nv3 s GLN 130 Cb -0.09 -2.30 0.00 0.00 -1.64 0.00 0.00 33.01 28.97 2nv3 s GLN 130 CO -0.19 0.21 0.00 0.27 0.50 0.00 0.00 175.29 176.08 2nv3 n ASN 131 N 3.44 0.81 0.00 6.67 6.94 -1.26 -5.39 115.26 126.47 2nv3 n ASN 131 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.37 2nv3 n ASN 131 Cb 0.53 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 2nv3 n ASN 131 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23