#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 1.21 -0.06 4.61 0.00 -1.26 -4.87 120.51 120.14 2nv3 n ALA 3 Ca 0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 53.44 53.03 2nv3 n ALA 3 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.04 0.41 -3.72 0.00 1.74 -1.26 -5.08 116.66 108.71 2nv3 n ARG 4 Ca 0.00 0.16 -0.14 0.00 -0.77 0.00 0.00 57.85 57.10 2nv3 n ARG 4 Cb 0.18 -1.21 -0.09 0.00 -1.02 0.00 0.00 32.46 30.33 2nv3 n ARG 4 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2nv3 s ALA 5 N -2.66 -0.98 0.07 7.54 0.00 -1.26 -5.12 121.76 119.35 2nv3 s ALA 5 Ca -0.23 0.64 -0.31 0.00 0.00 0.00 0.00 51.96 52.07 2nv3 s ALA 5 Cb 0.04 -0.09 -0.10 0.00 0.00 0.00 0.00 23.12 22.96 2nv3 s ALA 5 CO 0.33 -0.26 1.88 0.43 0.00 0.00 0.00 175.76 178.14 2nv3 n SER 6 N 1.54 3.98 0.00 0.00 7.64 -1.26 -4.54 113.62 120.99 2nv3 n SER 6 Ca -0.19 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.65 2nv3 n SER 6 Cb 0.56 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 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 4.98 0.00 0.00 0.44 0.31 -1.26 -5.09 118.33 117.71 2nv3 n VAL 7 Ca 0.19 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.66 2nv3 n VAL 7 Cb 0.37 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 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 -1.98 0.00 -2.64 3.52 0.00 -1.26 -4.79 120.51 113.37 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 0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 -4.23 0.00 0.00 2.88 -1.26 -4.40 113.62 106.61 2nv3 n SER 9 Ca 0.00 -0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.12 2nv3 n SER 9 Cb 0.00 -3.37 0.00 0.00 -0.75 0.00 0.00 64.21 60.09 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 -1.28 4.30 0.00 0.46 0.00 -1.26 -5.01 105.19 102.40 2nv3 n GLY 10 Ca -0.07 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2nv3 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nv3 n GLY 11 N 0.00 0.61 0.30 -0.02 0.00 -1.26 -2.55 105.19 102.27 2nv3 n GLY 11 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 2nv3 n GLY 11 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2nv3 h GLU 12 N 0.00 0.00 -0.26 1.61 5.08 -1.91 -2.14 114.58 116.96 2nv3 h GLU 12 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2nv3 h GLU 12 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2nv3 h GLU 12 CO 0.00 0.01 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.83 2nv3 h LEU 13 N 0.00 0.56 -1.03 1.33 3.38 -1.96 -1.99 115.31 115.61 2nv3 h LEU 13 Ca -0.00 -0.41 0.14 0.00 0.09 0.00 0.00 57.88 57.70 2nv3 h LEU 13 Cb 0.04 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.55 2nv3 h LEU 13 CO 0.00 0.84 0.63 0.44 0.09 0.00 0.00 178.44 180.44 2nv3 h ASP 14 N 0.28 0.88 -0.02 -0.43 3.32 -1.10 -1.20 116.42 118.15 2nv3 h ASP 14 Ca 0.06 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2nv3 h ASP 14 Cb 0.63 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2nv3 h ASP 14 CO 0.04 0.44 -0.04 0.11 -1.72 0.00 0.00 179.24 178.06 2nv3 h LYS 15 N 0.93 0.07 -0.29 3.56 1.57 -1.54 -2.63 116.57 118.24 2nv3 h LYS 15 Ca 0.51 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.32 2nv3 h LYS 15 Cb 0.59 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.83 2nv3 h LYS 15 CO -0.28 0.63 -0.29 2.35 -0.57 0.00 0.00 179.45 181.28 2nv3 h TRP 16 N -0.49 -0.79 0.00 -1.35 2.91 -0.74 0.54 115.95 116.04 2nv3 h TRP 16 Ca 0.00 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.07 2nv3 h TRP 16 Cb 0.63 0.39 0.00 0.00 -0.51 0.00 0.00 29.16 29.66 2nv3 h TRP 16 CO 0.12 -0.36 0.00 0.39 -1.03 0.00 0.00 178.44 177.56 2nv3 n GLU 17 N -5.40 0.72 0.04 2.65 1.02 -0.51 -2.79 120.64 116.37 2nv3 n GLU 17 Ca -0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 2nv3 n GLU 17 Cb 0.32 -1.37 -0.14 0.00 -0.02 0.00 0.00 31.44 30.23 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 0.11 -6.34 3.49 1.63 0.48 -3.41 116.57 112.53 2nv3 h LYS 18 Ca 0.00 -0.19 -0.54 0.00 -0.85 0.00 0.00 60.65 59.07 2nv3 h LYS 18 Cb 0.00 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 2nv3 h LYS 18 CO 0.00 0.91 0.35 0.42 -3.45 0.00 0.00 179.45 177.68 2nv3 s ILE 19 N -2.64 4.89 -0.20 2.00 1.09 -1.10 -5.00 121.20 120.24 2nv3 s ILE 19 Ca -0.05 1.97 -0.20 0.00 -1.10 0.00 0.00 60.65 61.27 2nv3 s ILE 19 Cb 0.08 -4.28 -0.03 0.00 -1.06 0.00 0.00 42.46 37.17 2nv3 s ILE 19 CO 0.83 0.16 0.58 -0.13 -0.10 0.00 0.00 174.94 176.28 2nv3 s ARG 20 N 1.08 4.21 0.54 2.79 0.52 -1.26 -2.89 118.95 123.93 2nv3 s ARG 20 Ca 0.50 0.53 0.35 0.00 -0.52 0.00 0.00 55.73 56.59 2nv3 s ARG 20 Cb -0.20 -3.57 1.53 0.00 0.52 0.00 0.00 34.95 33.23 2nv3 s ARG 20 CO 0.26 -0.20 1.81 -0.07 0.02 0.00 0.00 175.30 177.13 2nv3 h LEU 21 N 8.06 0.02 -9.40 2.53 3.38 -0.72 -1.57 115.31 117.60 2nv3 h LEU 21 Ca -0.33 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.07 2nv3 h LEU 21 Cb 1.15 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.76 2nv3 h LEU 21 CO 0.76 0.00 -0.65 -0.13 0.09 0.00 0.00 178.44 178.51 2nv3 s ARG 22 N -4.97 1.78 0.24 1.13 3.00 -1.26 -3.77 118.95 115.10 2nv3 s ARG 22 Ca -0.05 -1.95 0.01 0.00 0.00 0.00 0.00 55.73 53.74 2nv3 s ARG 22 Cb 0.23 -1.49 0.27 0.00 0.00 0.00 0.00 34.95 33.96 2nv3 s ARG 22 CO 0.80 0.04 1.61 -1.00 0.00 0.00 0.00 175.30 176.75 2nv3 h PRO 23 N 2.02 0.45 0.00 3.54 0.13 -1.87 -3.04 132.00 133.24 2nv3 h PRO 23 Ca -0.42 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2nv3 h PRO 23 Cb 1.24 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2nv3 h PRO 23 CO 0.72 0.80 -0.33 0.78 -0.23 0.00 0.00 178.00 179.74 2nv3 h GLY 24 N 1.14 0.00 0.00 1.56 0.00 -1.94 -3.47 103.07 100.35 2nv3 h GLY 24 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2nv3 h GLY 24 CO 0.08 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.23 2nv3 n GLY 25 N 1.22 -0.03 2.43 4.60 0.00 -1.15 -4.97 105.19 107.28 2nv3 n GLY 25 Ca 0.03 -1.59 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 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 0.37 -1.31 -2.70 1.61 4.81 -1.26 -4.64 118.16 115.04 2nv3 n LYS 26 Ca 0.00 0.99 -0.05 0.00 -0.87 0.00 0.00 58.31 58.38 2nv3 n LYS 26 Cb 0.00 -5.35 0.05 0.00 0.02 0.00 0.00 35.03 29.75 2nv3 n LYS 26 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2nv3 n LYS 27 N -2.59 0.32 -1.48 1.64 5.02 -1.26 -5.06 118.16 114.74 2nv3 n LYS 27 Ca -0.19 -1.11 -0.29 0.00 -2.02 0.00 0.00 58.31 54.70 2nv3 n LYS 27 Cb 0.62 -0.58 0.16 0.00 -0.02 0.00 0.00 35.03 35.21 2nv3 n LYS 27 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2nv3 s GLN 28 N 0.52 0.62 0.26 1.97 -0.21 -1.26 -0.04 119.66 121.51 2nv3 s GLN 28 Ca 0.27 0.15 -0.21 0.00 0.02 0.00 0.00 55.36 55.60 2nv3 s GLN 28 Cb 0.17 -1.79 -0.09 0.00 1.00 0.00 0.00 33.01 32.30 2nv3 s GLN 28 CO -0.12 -2.52 0.78 0.71 -2.12 0.00 0.00 175.29 172.01 2nv3 s TYR 29 N -3.29 3.63 0.14 0.91 2.02 -1.14 -4.66 117.35 114.97 2nv3 s TYR 29 Ca 0.66 1.48 0.04 0.00 -0.37 0.00 0.00 57.07 58.88 2nv3 s TYR 29 Cb -0.13 -2.69 -0.04 0.00 -0.40 0.00 0.00 41.96 38.70 2nv3 s TYR 29 CO 0.54 0.28 -0.08 0.15 -1.57 0.00 0.00 175.55 174.87 2nv3 s LYS 30 N -2.08 1.04 0.32 -0.62 1.02 -1.26 -4.22 119.74 113.93 2nv3 s LYS 30 Ca 0.46 -1.45 0.09 0.00 0.02 0.00 0.00 55.97 55.09 2nv3 s LYS 30 Cb -0.16 -0.53 0.89 0.00 -0.52 0.00 0.00 37.83 37.50 2nv3 s LYS 30 CO 0.21 0.04 1.71 -0.07 -0.92 0.00 0.00 175.35 176.32 2nv3 h LEU 31 N 2.79 0.58 -0.92 3.17 3.38 -2.00 0.03 115.31 122.35 2nv3 h LEU 31 Ca -0.36 0.15 0.35 0.00 0.09 0.00 0.00 57.88 58.11 2nv3 h LEU 31 Cb 1.19 0.07 -0.17 0.00 0.09 0.00 0.00 40.66 41.84 2nv3 h LEU 31 CO 0.64 0.04 0.38 0.29 0.09 0.00 0.00 178.44 179.88 2nv3 n LYS 32 N -4.95 -0.06 -0.04 1.13 4.76 -1.26 0.71 118.16 118.45 2nv3 n LYS 32 Ca 0.27 1.29 -0.14 0.00 -2.87 0.00 0.00 58.31 56.85 2nv3 n LYS 32 Cb 0.77 -2.25 -0.09 0.00 -1.84 0.00 0.00 35.03 31.62 2nv3 n LYS 32 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2nv3 h HIS 33 N 0.00 0.37 -0.12 2.13 3.86 -1.40 -0.38 115.15 119.61 2nv3 h HIS 33 Ca 0.73 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 59.75 2nv3 h HIS 33 Cb 1.85 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 30.24 2nv3 h HIS 33 CO -0.12 0.83 -0.13 0.82 0.86 0.00 0.00 177.93 180.20 2nv3 h ILE 34 N -0.20 1.16 0.00 2.45 2.04 0.22 -1.07 117.51 122.11 2nv3 h ILE 34 Ca -0.01 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.11 2nv3 h ILE 34 Cb 0.83 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 2nv3 h ILE 34 CO 0.05 0.21 -0.19 0.58 0.00 0.00 0.00 178.15 178.80 2nv3 h VAL 35 N 0.17 1.59 0.00 1.67 2.07 -0.38 -0.07 116.25 121.30 2nv3 h VAL 35 Ca 0.04 -1.98 -0.01 0.00 0.82 0.00 0.00 66.70 65.56 2nv3 h VAL 35 Cb 0.33 2.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2nv3 h VAL 35 CO 0.02 0.53 -0.04 -0.25 0.02 0.00 0.00 177.57 177.85 2nv3 h TRP 36 N -0.61 0.00 0.00 1.57 7.01 -0.93 -2.61 115.95 120.39 2nv3 h TRP 36 Ca -0.03 0.00 -0.14 0.00 2.11 0.00 0.00 58.89 60.83 2nv3 h TRP 36 Cb 0.98 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.02 2nv3 h TRP 36 CO 0.19 0.04 -0.96 0.00 -2.79 0.00 0.00 178.44 174.93 2nv3 h ALA 37 N 1.96 0.17 -1.02 2.65 0.00 -1.21 -3.10 119.26 118.70 2nv3 h ALA 37 Ca -0.00 -0.94 0.27 0.00 0.00 0.00 0.00 54.91 54.24 2nv3 h ALA 37 Cb 0.26 0.64 -0.12 0.00 0.00 0.00 0.00 17.79 18.56 2nv3 h ALA 37 CO 0.01 0.61 0.61 0.77 0.00 0.00 0.00 179.25 181.25 2nv3 h SER 38 N -1.00 0.60 -0.00 0.00 0.02 -0.95 -0.59 113.55 111.63 2nv3 h SER 38 Ca -0.22 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2nv3 h SER 38 Cb 1.00 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2nv3 h SER 38 CO -0.13 0.05 -0.01 0.03 -1.14 0.00 0.00 176.83 175.63 2nv3 h ARG 39 N 0.49 0.01 -0.59 3.45 2.47 -1.64 -3.23 114.38 115.34 2nv3 h ARG 39 Ca 0.66 -0.00 0.12 0.00 -1.26 0.00 0.00 59.98 59.49 2nv3 h ARG 39 Cb 1.39 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 29.60 2nv3 h ARG 39 CO -0.47 0.72 -0.19 1.49 0.56 0.00 0.00 179.97 182.08 2nv3 h GLU 40 N -0.71 -0.05 -0.83 0.04 4.57 -1.08 0.96 114.58 117.49 2nv3 h GLU 40 Ca -0.00 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.33 2nv3 h GLU 40 Cb 0.72 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.23 2nv3 h GLU 40 CO 0.00 -0.03 0.41 -0.07 -1.18 0.00 0.00 179.01 178.14 2nv3 h LEU 41 N -0.05 0.47 -2.02 1.64 3.38 -1.29 0.29 115.31 117.73 2nv3 h LEU 41 Ca 0.28 0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.46 2nv3 h LEU 41 Cb 0.47 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2nv3 h LEU 41 CO -0.63 0.19 0.41 -0.08 0.09 0.00 0.00 178.44 178.42 2nv3 h GLU 42 N 0.58 0.00 0.00 1.13 4.81 -0.07 0.30 114.58 121.34 2nv3 h GLU 42 Ca 0.46 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.49 2nv3 h GLU 42 Cb 0.66 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 2nv3 h GLU 42 CO -0.38 0.00 -1.39 0.00 -0.73 0.00 0.00 179.01 176.51 2nv3 h ARG 43 N 0.00 0.00 -0.99 1.92 2.47 -0.33 -3.34 114.38 114.11 2nv3 h ARG 43 Ca 0.20 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.74 2nv3 h ARG 43 Cb 1.02 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.23 2nv3 h ARG 43 CO -0.00 0.38 0.22 1.19 0.56 0.00 0.00 179.97 182.32 2nv3 n PHE 44 N -2.97 1.08 -1.89 3.04 3.72 0.88 -4.80 117.46 116.52 2nv3 n PHE 44 Ca -0.10 -0.94 -0.19 0.00 -0.05 0.00 0.00 57.45 56.17 2nv3 n PHE 44 Cb 0.88 -0.49 -0.05 0.00 -0.94 0.00 0.00 39.48 38.88 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 -0.07 -0.43 -4.03 4.37 0.00 -1.15 -4.95 120.51 114.25 2nv3 n ALA 45 Ca 0.21 0.25 -0.31 0.00 0.00 0.00 0.00 53.44 53.59 2nv3 n ALA 45 Cb 0.90 -1.99 -0.16 0.00 0.00 0.00 0.00 19.45 18.20 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 -2.77 1.78 0.41 0.00 1.01 -0.06 -5.03 120.40 115.74 2nv3 s VAL 46 Ca 0.00 -1.04 -0.27 0.00 0.00 0.00 0.00 61.98 60.67 2nv3 s VAL 46 Cb 0.00 -1.80 -0.09 0.00 0.00 0.00 0.00 36.38 34.49 2nv3 s VAL 46 CO 0.00 0.24 1.42 0.20 0.00 0.00 0.00 175.10 176.96 2nv3 s ASN 47 N 1.35 6.19 0.00 3.32 0.01 -1.26 -1.88 114.94 122.67 2nv3 s ASN 47 Ca -0.01 2.90 0.15 0.00 -0.71 0.00 0.00 52.86 55.19 2nv3 s ASN 47 Cb -0.16 -2.66 0.73 0.00 0.41 0.00 0.00 41.25 39.58 2nv3 s ASN 47 CO -0.09 -0.96 1.41 -0.81 -1.51 0.00 0.00 177.10 175.14 2nv3 n PRO 48 N 0.18 0.19 0.00 -0.60 -0.04 -1.26 -2.57 135.00 130.89 2nv3 n PRO 48 Ca 0.03 0.16 0.13 0.00 -0.04 0.00 0.00 63.50 63.78 2nv3 n PRO 48 Cb 0.41 -1.50 0.64 0.00 -0.04 0.00 0.00 33.50 33.01 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 -1.23 1.17 0.55 0.00 -1.26 -3.04 105.19 101.35 2nv3 n GLY 49 Ca 0.07 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.35 3.36 -0.00 0.99 4.77 -1.06 -3.67 117.00 120.03 2nv3 n LEU 50 Ca 0.11 -1.70 0.06 0.00 -0.03 0.00 0.00 56.01 54.45 2nv3 n LEU 50 Cb 0.24 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 40.70 2nv3 n LEU 50 CO 0.21 0.48 -0.51 0.18 -1.33 0.00 0.00 177.39 176.42 2nv3 n LEU 51 N 0.42 0.11 0.07 2.23 4.77 -1.17 -1.75 117.00 121.68 2nv3 n LEU 51 Ca 0.15 -0.11 -0.05 0.00 -0.03 0.00 0.00 56.01 55.97 2nv3 n LEU 51 Cb 0.69 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.69 2nv3 n LEU 51 CO 0.16 0.03 0.13 1.05 -1.33 0.00 0.00 177.39 177.43 2nv3 h GLU 52 N 0.00 0.00 -5.05 3.23 4.11 -1.78 -3.44 114.58 111.65 2nv3 h GLU 52 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.78 2nv3 h GLU 52 Cb 0.48 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.50 2nv3 h GLU 52 CO 0.00 0.84 -0.65 0.95 0.07 0.00 0.00 179.01 180.23 2nv3 s THR 53 N -2.75 4.10 0.44 -1.06 -4.23 -1.26 -4.98 115.64 105.90 2nv3 s THR 53 Ca 0.01 -0.25 0.27 0.00 -1.18 0.00 0.00 61.69 60.53 2nv3 s THR 53 Cb 0.09 -2.88 0.46 0.00 1.34 0.00 0.00 72.50 71.52 2nv3 s THR 53 CO 0.81 0.39 1.72 0.77 -0.54 0.00 0.00 174.62 177.77 2nv3 h SER 54 N 7.79 0.28 -0.58 3.99 4.64 -1.89 0.37 113.55 128.16 2nv3 h SER 54 Ca -0.37 0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.06 2nv3 h SER 54 Cb 1.17 0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.27 2nv3 h SER 54 CO 0.60 -0.02 0.34 -0.08 -0.87 0.00 0.00 176.83 176.81 2nv3 h GLU 55 N 0.21 0.65 -0.30 4.77 4.22 -1.93 -2.24 114.58 119.96 2nv3 h GLU 55 Ca 0.68 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 60.08 2nv3 h GLU 55 Cb 2.07 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 31.16 2nv3 h GLU 55 CO -0.27 0.43 0.20 0.78 -2.18 0.00 0.00 179.01 177.96 2nv3 h GLY 56 N 0.67 0.42 0.60 1.92 0.00 -0.40 -2.93 103.07 103.36 2nv3 h GLY 56 Ca 0.24 -0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.46 2nv3 h GLY 56 CO -0.12 0.15 -0.07 0.00 0.00 0.00 0.00 176.54 176.50 2nv3 h ARG 58 N -0.04 0.33 -0.24 0.00 2.43 -1.24 0.23 114.38 115.86 2nv3 h ARG 58 Ca 0.09 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.07 2nv3 h ARG 58 Cb 0.17 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2nv3 h ARG 58 CO -0.20 0.22 -0.51 0.37 -1.51 0.00 0.00 179.97 178.34 2nv3 h GLN 59 N 0.34 0.76 0.33 0.20 4.15 -1.21 -2.44 115.11 117.24 2nv3 h GLN 59 Ca 0.56 -0.51 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 2nv3 h GLN 59 Cb 1.08 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.84 2nv3 h GLN 59 CO -0.56 1.13 -0.16 0.82 -1.93 0.00 0.00 178.83 178.13 2nv3 h ILE 60 N 0.50 0.68 -0.95 2.39 2.04 0.70 -2.31 117.51 120.57 2nv3 h ILE 60 Ca 0.00 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.88 2nv3 h ILE 60 Cb 1.12 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 2nv3 h ILE 60 CO 0.11 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.82 2nv3 h LEU 61 N -0.45 1.02 -1.70 1.44 3.38 -0.74 -1.57 115.31 116.69 2nv3 h LEU 61 Ca -0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2nv3 h LEU 61 Cb 0.34 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2nv3 h LEU 61 CO 0.07 0.70 0.12 1.23 0.09 0.00 0.00 178.44 180.65 2nv3 h GLY 62 N 1.18 0.34 0.74 0.83 0.00 -1.15 0.47 103.07 105.48 2nv3 h GLY 62 Ca 0.38 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.51 2nv3 h GLY 62 CO -0.12 0.14 -0.16 1.46 0.00 0.00 0.00 176.54 177.85 2nv3 h GLN 63 N 0.33 0.36 -0.00 4.80 4.20 -0.73 -3.06 115.11 121.00 2nv3 h GLN 63 Ca 0.09 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.60 2nv3 h GLN 63 Cb 0.03 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2nv3 h GLN 63 CO -0.01 0.76 -0.10 1.28 -0.67 0.00 0.00 178.83 180.09 2nv3 n LEU 64 N -4.54 0.15 0.45 1.46 4.77 -1.01 -4.03 117.00 114.25 2nv3 n LEU 64 Ca -0.06 0.32 -0.20 0.00 -0.03 0.00 0.00 56.01 56.03 2nv3 n LEU 64 Cb 0.38 -0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 2nv3 n LEU 64 CO 0.39 0.03 0.54 -0.61 -1.33 0.00 0.00 177.39 176.42 2nv3 h GLN 65 N 0.07 -1.19 0.00 3.23 4.15 0.04 0.22 115.11 121.63 2nv3 h GLN 65 Ca 0.00 0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.50 2nv3 h GLN 65 Cb 0.45 0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.41 2nv3 h GLN 65 CO 0.00 -0.80 0.00 -0.35 -1.93 0.00 0.00 178.83 175.75 2nv3 n PRO 66 N -5.64 0.22 -0.00 -2.39 -0.04 -1.25 -1.92 135.00 123.98 2nv3 n PRO 66 Ca -0.15 0.14 0.07 0.00 -0.04 0.00 0.00 63.50 63.52 2nv3 n PRO 66 Cb 0.51 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.27 0.73 0.32 3.54 7.64 -0.87 -4.40 113.62 119.30 2nv3 n SER 67 Ca 0.07 -0.84 0.20 0.00 1.01 0.00 0.00 58.87 59.31 2nv3 n SER 67 Cb 0.12 1.01 1.09 0.00 -1.01 0.00 0.00 64.21 65.42 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 -0.63 -3.43 3.38 0.11 -1.99 115.31 112.75 2nv3 h LEU 68 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 2nv3 h LEU 68 Cb 0.37 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.02 2nv3 h LEU 68 CO 0.00 0.00 0.12 -0.61 0.09 0.00 0.00 178.44 178.04 2nv3 h GLN 69 N 0.00 0.24 -0.95 1.13 -0.00 -1.77 -3.22 115.11 110.54 2nv3 h GLN 69 Ca 0.01 -0.01 -0.35 0.00 -0.00 0.00 0.00 58.65 58.29 2nv3 h GLN 69 Cb 0.12 -0.05 -0.40 0.00 0.00 0.00 0.00 27.48 27.14 2nv3 h GLN 69 CO -0.00 0.16 -1.18 2.41 0.00 0.00 0.00 178.83 180.22 2nv3 n THR 70 N -5.15 1.05 -3.21 2.39 -1.04 -0.92 -5.09 114.28 102.31 2nv3 n THR 70 Ca 0.10 -3.08 -0.39 0.00 -2.04 0.00 0.00 64.05 58.64 2nv3 n THR 70 Cb 0.35 0.69 -0.05 0.00 -1.82 0.00 0.00 70.33 69.50 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 -3.20 2.45 1.25 3.41 0.00 -0.80 -5.06 107.32 105.37 2nv3 s GLY 71 Ca 0.28 -0.08 -0.19 0.00 0.00 0.00 0.00 44.72 44.73 2nv3 s GLY 71 CO 0.03 0.95 0.63 -1.14 0.00 0.00 0.00 173.10 173.57 2nv3 n SER 72 N 3.81 -3.41 0.21 1.64 3.41 -1.26 -4.30 113.62 113.72 2nv3 n SER 72 Ca -0.05 -0.58 0.16 0.00 -0.26 0.00 0.00 58.87 58.14 2nv3 n SER 72 Cb 0.51 -0.93 0.81 0.00 -0.26 0.00 0.00 64.21 64.34 2nv3 n SER 72 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2nv3 h GLU 73 N -3.11 0.00 0.31 4.33 5.08 -1.99 -1.36 114.58 117.84 2nv3 h GLU 73 Ca -0.37 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 2nv3 h GLU 73 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2nv3 h GLU 73 CO 0.24 0.00 -0.15 1.49 -1.00 0.00 0.00 179.01 179.59 2nv3 h GLU 74 N 0.00 -0.41 -0.13 2.33 4.81 -1.99 -1.72 114.58 117.48 2nv3 h GLU 74 Ca 0.08 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2nv3 h GLU 74 Cb 0.40 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2nv3 h GLU 74 CO -0.00 -0.07 0.08 1.25 -0.73 0.00 0.00 179.01 179.53 2nv3 h LEU 75 N -0.88 0.13 -0.07 1.64 6.46 -1.73 -1.22 115.31 119.63 2nv3 h LEU 75 Ca -0.04 -0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.75 2nv3 h LEU 75 Cb 0.52 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.38 2nv3 h LEU 75 CO 0.07 0.10 -0.17 0.03 -0.62 0.00 0.00 178.44 177.85 2nv3 h ARG 76 N 0.16 -0.23 -0.26 1.25 3.08 -1.35 -1.61 114.38 115.42 2nv3 h ARG 76 Ca 0.05 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.16 2nv3 h ARG 76 Cb -0.01 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 2nv3 h ARG 76 CO -0.02 -0.16 -0.02 0.77 -1.07 0.00 0.00 179.97 179.48 2nv3 h SER 77 N -0.24 -0.13 -0.17 7.04 0.02 -1.15 -2.29 113.55 116.63 2nv3 h SER 77 Ca 0.08 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 2nv3 h SER 77 Cb 0.35 0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.94 2nv3 h SER 77 CO -0.21 -0.04 -0.30 -0.07 -1.14 0.00 0.00 176.83 175.07 2nv3 h LEU 78 N 0.06 -0.95 -0.27 5.07 -0.00 -0.83 0.15 115.31 118.55 2nv3 h LEU 78 Ca 0.12 0.15 0.06 0.00 -0.00 0.00 0.00 57.88 58.21 2nv3 h LEU 78 Cb 0.17 0.41 -0.08 0.00 -0.00 0.00 0.00 40.66 41.16 2nv3 h LEU 78 CO -0.22 -0.34 -0.32 0.22 -0.00 0.00 0.00 178.44 177.78 2nv3 h TYR 79 N -0.36 -0.90 -0.96 1.13 3.20 -0.97 0.31 116.97 118.42 2nv3 h TYR 79 Ca 0.11 0.05 0.10 0.00 3.14 0.00 0.00 58.73 62.13 2nv3 h TYR 79 Cb 0.52 0.43 -0.07 0.00 1.54 0.00 0.00 36.73 39.16 2nv3 h TYR 79 CO -0.41 -0.39 0.62 -0.91 -1.64 0.00 0.00 178.16 175.43 2nv3 h ASN 80 N -0.32 0.91 0.13 -2.11 -0.26 -0.90 0.24 115.58 113.26 2nv3 h ASN 80 Ca 0.13 0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.90 2nv3 h ASN 80 Cb 0.54 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 2nv3 h ASN 80 CO -0.45 0.52 -0.06 0.74 -1.06 0.00 0.00 177.43 177.13 2nv3 h THR 81 N 0.99 0.00 -1.16 2.81 2.02 0.81 -2.92 112.91 115.45 2nv3 h THR 81 Ca 0.45 -0.09 0.34 0.00 0.77 0.00 0.00 66.41 67.88 2nv3 h THR 81 Cb 0.39 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.70 2nv3 h THR 81 CO -0.21 0.00 0.76 0.40 0.37 0.00 0.00 175.52 176.84 2nv3 h ILE 82 N -0.26 0.37 -0.50 3.11 2.04 -0.42 0.31 117.51 122.16 2nv3 h ILE 82 Ca -0.02 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.77 2nv3 h ILE 82 Cb 0.13 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 2nv3 h ILE 82 CO 0.03 0.04 0.32 0.00 0.00 0.00 0.00 178.15 178.54 2nv3 h ALA 83 N 1.57 0.63 0.16 1.87 0.00 -0.96 -2.01 119.26 120.53 2nv3 h ALA 83 Ca 0.67 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.55 2nv3 h ALA 83 Cb 1.99 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2nv3 h ALA 83 CO -0.29 0.05 -0.08 0.28 0.00 0.00 0.00 179.25 179.21 2nv3 h VAL 84 N 0.64 0.00 -1.12 0.00 2.07 -0.18 -3.06 116.25 114.61 2nv3 h VAL 84 Ca 0.19 -0.02 0.43 0.00 0.82 0.00 0.00 66.70 68.11 2nv3 h VAL 84 Cb -0.04 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.56 2nv3 h VAL 84 CO -0.06 0.00 0.65 0.25 0.02 0.00 0.00 177.57 178.43 2nv3 h LEU 85 N -0.24 0.30 -0.73 2.57 5.85 -1.54 0.79 115.31 122.32 2nv3 h LEU 85 Ca -0.02 0.22 0.14 0.00 0.84 0.00 0.00 57.88 59.06 2nv3 h LEU 85 Cb 0.16 0.22 -0.09 0.00 0.37 0.00 0.00 40.66 41.32 2nv3 h LEU 85 CO 0.04 -0.35 0.26 0.22 -0.34 0.00 0.00 178.44 178.26 2nv3 h TYR 86 N 0.03 0.44 -0.01 1.25 3.20 -1.25 0.40 116.97 121.03 2nv3 h TYR 86 Ca 0.85 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.76 2nv3 h TYR 86 Cb 2.37 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 40.56 2nv3 h TYR 86 CO -0.01 0.03 0.02 0.00 -1.64 0.00 0.00 178.16 176.56 2nv3 h VAL 88 N 0.00 1.29 0.01 0.00 2.07 -0.20 0.56 116.25 119.97 2nv3 h VAL 88 Ca 0.01 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 65.92 2nv3 h VAL 88 Cb 0.04 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2nv3 h VAL 88 CO -0.00 0.51 -0.07 0.45 0.02 0.00 0.00 177.57 178.48 2nv3 h HIS 89 N 0.60 0.05 -0.00 1.57 -0.00 -1.12 -3.30 115.15 112.96 2nv3 h HIS 89 Ca 0.05 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2nv3 h HIS 89 Cb 0.96 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 2nv3 h HIS 89 CO 0.05 0.99 -0.03 0.94 -0.00 0.00 0.00 177.93 179.88 2nv3 n GLN 90 N -4.58 0.20 -3.08 2.45 -0.06 -0.74 -4.93 117.38 106.65 2nv3 n GLN 90 Ca -0.10 -0.01 -0.13 0.00 -2.00 0.00 0.00 57.00 54.75 2nv3 n GLN 90 Cb 0.50 -1.50 0.07 0.00 -4.06 0.00 0.00 30.24 25.24 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 -1.39 -4.98 -2.98 3.69 0.63 0.16 -4.96 116.66 106.82 2nv3 n ARG 91 Ca 0.10 0.63 -0.43 0.00 -0.92 0.00 0.00 57.85 57.23 2nv3 n ARG 91 Cb 0.30 -5.00 -0.05 0.00 0.45 0.00 0.00 32.46 28.16 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 -3.27 4.63 -0.49 5.15 1.01 0.84 -4.98 121.20 124.10 2nv3 s ILE 92 Ca 0.03 0.10 -0.32 0.00 0.00 0.00 0.00 60.65 60.46 2nv3 s ILE 92 Cb -0.01 -4.38 -0.12 0.00 0.01 0.00 0.00 42.46 37.95 2nv3 s ILE 92 CO 0.54 -0.87 2.33 0.47 0.00 0.00 0.00 174.94 177.41 2nv3 n ASP 93 N 6.80 1.89 -4.35 3.58 9.92 -1.26 -4.80 116.55 128.33 2nv3 n ASP 93 Ca -0.01 0.15 -0.32 0.00 -0.53 0.00 0.00 54.79 54.08 2nv3 n ASP 93 Cb 0.47 -1.29 -0.15 0.00 -0.64 0.00 0.00 41.12 39.51 2nv3 n ASP 93 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2nv3 s VAL 94 N 8.79 2.48 -0.14 2.53 -7.23 -1.26 -4.91 120.40 120.66 2nv3 s VAL 94 Ca 1.11 -0.92 0.21 0.00 -1.81 0.00 0.00 61.98 60.57 2nv3 s VAL 94 Cb -0.75 -1.94 -0.16 0.00 0.56 0.00 0.00 36.38 34.09 2nv3 s VAL 94 CO 0.43 0.57 0.74 1.17 -0.31 0.00 0.00 175.10 177.71 2nv3 n LYS 95 N 2.72 0.63 -3.74 4.82 4.81 -1.26 -4.88 118.16 121.26 2nv3 n LYS 95 Ca -0.17 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.28 2nv3 n LYS 95 Cb 0.52 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.88 2nv3 n LYS 95 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2nv3 s ASP 96 N -5.09 -0.05 0.62 3.14 -4.77 -1.26 -4.24 116.67 105.02 2nv3 s ASP 96 Ca -0.04 -0.24 0.42 0.00 -3.30 0.00 0.00 52.55 49.39 2nv3 s ASP 96 Cb 0.11 0.23 2.28 0.00 -1.09 0.00 0.00 42.92 44.45 2nv3 s ASP 96 CO 0.84 -0.44 2.28 0.74 0.70 0.00 0.00 175.17 179.29 2nv3 h THR 97 N 2.00 0.00 -0.22 2.11 2.02 -1.37 -1.90 112.91 115.55 2nv3 h THR 97 Ca -0.28 -0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.81 2nv3 h THR 97 Cb 1.20 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 68.55 2nv3 h THR 97 CO 0.29 0.00 -0.20 0.50 0.37 0.00 0.00 175.52 176.48 2nv3 h LYS 98 N 0.00 0.52 0.00 6.66 3.64 -1.85 -2.83 116.57 122.71 2nv3 h LYS 98 Ca 0.00 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2nv3 h LYS 98 Cb 0.00 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2nv3 h LYS 98 CO 0.00 0.85 0.00 0.39 -2.27 0.00 0.00 179.45 178.42 2nv3 n GLU 99 N -4.42 0.00 -0.25 1.90 -0.58 -0.73 -0.71 120.64 115.85 2nv3 n GLU 99 Ca -0.05 0.32 0.14 0.00 -0.42 0.00 0.00 57.16 57.16 2nv3 n GLU 99 Cb 0.41 -1.06 0.28 0.00 -0.57 0.00 0.00 31.44 30.49 2nv3 n GLU 99 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2nv3 n ALA 100 N -1.47 0.48 0.15 0.62 0.00 -1.13 0.91 120.51 120.08 2nv3 n ALA 100 Ca 0.00 0.77 -0.10 0.00 0.00 0.00 0.00 53.44 54.11 2nv3 n ALA 100 Cb 0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 18.77 2nv3 n ALA 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2nv3 h LEU 101 N 0.00 -0.38 -2.46 0.00 7.12 -1.58 -2.10 115.31 115.91 2nv3 h LEU 101 Ca 0.49 -0.14 0.00 0.00 0.13 0.00 0.00 57.88 58.37 2nv3 h LEU 101 Cb 1.12 0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 41.35 2nv3 h LEU 101 CO -0.65 0.08 0.18 0.44 -0.13 0.00 0.00 178.44 178.36 2nv3 h ASP 102 N -1.00 0.00 0.54 1.25 3.32 0.19 0.43 116.42 121.16 2nv3 h ASP 102 Ca -0.05 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.71 2nv3 h ASP 102 Cb 0.49 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2nv3 h ASP 102 CO 0.08 0.00 -1.47 0.11 -1.72 0.00 0.00 179.24 176.24 2nv3 h LYS 103 N 0.00 0.19 0.00 3.56 1.79 0.60 -2.61 116.57 120.10 2nv3 h LYS 103 Ca 0.00 -0.32 -0.25 0.00 -2.18 0.00 0.00 60.65 57.90 2nv3 h LYS 103 Cb 0.36 0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.09 2nv3 h LYS 103 CO -0.00 1.03 -1.37 0.82 -1.08 0.00 0.00 179.45 178.85 2nv3 h ILE 104 N 0.05 1.25 0.00 1.86 2.04 -0.14 -2.83 117.51 119.74 2nv3 h ILE 104 Ca -0.21 -3.04 -0.18 0.00 1.00 0.00 0.00 64.86 62.43 2nv3 h ILE 104 Cb 1.98 2.62 -0.03 0.00 -0.74 0.00 0.00 36.82 40.65 2nv3 h ILE 104 CO 0.15 0.71 -0.89 -0.08 0.00 0.00 0.00 178.15 178.04 2nv3 h GLU 105 N 0.00 0.00 0.11 2.37 4.57 -0.40 -3.24 114.58 117.98 2nv3 h GLU 105 Ca -0.15 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 57.88 2nv3 h GLU 105 Cb 1.89 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 30.50 2nv3 h GLU 105 CO 0.10 0.86 -0.65 1.49 -1.18 0.00 0.00 179.01 179.63 2nv3 h GLU 106 N 0.00 0.25 -0.18 1.92 4.81 -1.57 -2.85 114.58 116.96 2nv3 h GLU 106 Ca -0.02 -0.41 0.05 0.00 -0.13 0.00 0.00 59.36 58.85 2nv3 h GLU 106 Cb 1.68 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 31.20 2nv3 h GLU 106 CO 0.11 1.19 0.22 0.93 -0.73 0.00 0.00 179.01 180.73 2nv3 h GLU 107 N -0.47 0.00 -0.31 1.92 3.07 -1.62 0.32 114.58 117.50 2nv3 h GLU 107 Ca -0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 2nv3 h GLU 107 Cb 1.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.41 2nv3 h GLU 107 CO 0.12 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.77 2nv3 n GLN 108 N -3.70 3.10 0.07 2.33 3.00 -1.22 -4.41 117.38 116.55 2nv3 n GLN 108 Ca 0.02 -2.76 0.00 0.00 -0.01 0.00 0.00 57.00 54.24 2nv3 n GLN 108 Cb 0.34 -1.80 0.00 0.00 0.00 0.00 0.00 30.24 28.78 2nv3 n GLN 108 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2nv3 n ASN 109 N -0.23 0.38 0.13 1.08 5.15 0.79 -4.77 115.26 117.79 2nv3 n ASN 109 Ca 0.21 0.21 0.17 0.00 -0.60 0.00 0.00 54.58 54.57 2nv3 n ASN 109 Cb 0.85 -0.00 0.75 0.00 -0.53 0.00 0.00 39.78 40.86 2nv3 n ASN 109 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 2nv3 h LYS 110 N 0.00 0.00 0.00 1.20 3.64 -0.85 0.14 116.57 120.70 2nv3 h LYS 110 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2nv3 h LYS 110 Cb 0.17 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2nv3 h LYS 110 CO 0.00 0.00 -0.29 1.03 -2.27 0.00 0.00 179.45 177.92 2nv3 h SER 111 N 0.00 0.00 0.09 4.20 0.87 -1.77 0.22 113.55 117.16 2nv3 h SER 111 Ca 0.14 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.36 2nv3 h SER 111 Cb 0.67 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 2nv3 h SER 111 CO -0.00 0.29 -1.88 1.17 -0.53 0.00 0.00 176.83 175.88 2nv3 n LYS 112 N -4.20 0.71 0.22 2.24 4.81 0.33 -4.00 118.16 118.28 2nv3 n LYS 112 Ca -0.02 0.33 0.07 0.00 -0.87 0.00 0.00 58.31 57.81 2nv3 n LYS 112 Cb 0.33 -1.70 0.53 0.00 0.02 0.00 0.00 35.03 34.21 2nv3 n LYS 112 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2nv3 h LYS 113 N -0.20 0.00 -1.00 1.64 3.64 -1.11 -2.17 116.57 117.37 2nv3 h LYS 113 Ca -0.42 0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 58.51 2nv3 h LYS 113 Cb 1.86 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 33.41 2nv3 h LYS 113 CO -0.00 0.21 0.56 1.63 -2.27 0.00 0.00 179.45 179.58 2nv3 n LYS 114 N -4.07 2.06 -0.96 1.90 4.76 0.06 -4.33 118.16 117.59 2nv3 n LYS 114 Ca -0.02 -2.55 -0.07 0.00 -2.87 0.00 0.00 58.31 52.79 2nv3 n LYS 114 Cb 0.29 -2.00 0.27 0.00 -1.84 0.00 0.00 35.03 31.74 2nv3 n LYS 114 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2nv3 n ALA 115 N -0.89 4.54 -2.41 7.82 0.00 -0.82 -4.31 120.51 124.44 2nv3 n ALA 115 Ca 0.51 -2.56 0.03 0.00 0.00 0.00 0.00 53.44 51.42 2nv3 n ALA 115 Cb 1.49 -1.15 0.05 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.51 0.53 -0.21 0.00 6.02 -1.26 -4.87 117.38 117.07 2nv3 n GLN 116 Ca 0.41 -2.43 0.11 0.00 -0.01 0.00 0.00 57.00 55.08 2nv3 n GLN 116 Cb 1.33 -0.48 0.40 0.00 1.02 0.00 0.00 30.24 32.51 2nv3 n GLN 116 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2nv3 h GLN 117 N 1.24 0.62 -0.18 -1.09 4.20 -1.92 0.85 115.11 118.83 2nv3 h GLN 117 Ca -0.17 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.43 2nv3 h GLN 117 Cb 1.69 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.31 2nv3 h GLN 117 CO 0.11 0.41 -0.20 0.00 -0.67 0.00 0.00 178.83 178.49 2nv3 h ALA 118 N 1.61 1.33 -0.50 3.87 0.00 -1.96 -2.67 119.26 120.94 2nv3 h ALA 118 Ca 0.38 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 2nv3 h ALA 118 Cb 0.59 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.17 2nv3 h ALA 118 CO -0.15 0.45 0.12 0.00 0.00 0.00 0.00 179.25 179.68 2nv3 n ALA 119 N -2.48 4.20 -2.17 0.00 0.00 0.08 -4.40 120.51 115.73 2nv3 n ALA 119 Ca -0.01 -2.71 0.04 0.00 0.00 0.00 0.00 53.44 50.76 2nv3 n ALA 119 Cb 0.34 -0.94 0.06 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.75 2.55 -0.96 0.00 0.00 0.03 -4.84 120.51 116.55 2nv3 n ALA 120 Ca 0.35 -2.34 -0.23 0.00 0.00 0.00 0.00 53.44 51.23 2nv3 n ALA 120 Cb 1.16 -0.61 0.12 0.00 0.00 0.00 0.00 19.45 20.13 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 -0.00 4.86 -4.89 0.00 5.75 -1.23 -4.95 116.55 116.08 2nv3 n ASP 121 Ca 0.08 -3.40 -0.29 0.00 -0.01 0.00 0.00 54.79 51.17 2nv3 n ASP 121 Cb 0.96 -0.86 0.09 0.00 -1.03 0.00 0.00 41.12 40.29 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 -3.15 2.00 0.40 2.12 -4.23 -1.26 -5.00 115.64 106.51 2nv3 s THR 122 Ca 0.49 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.73 2nv3 s THR 122 Cb 0.41 -2.99 -0.10 0.00 1.34 0.00 0.00 72.50 71.16 2nv3 s THR 122 CO 0.06 0.00 1.41 -0.83 -0.54 0.00 0.00 174.62 174.72 2nv3 s GLY 123 N -4.56 2.94 -0.06 3.99 0.00 -1.26 -5.01 107.32 103.37 2nv3 s GLY 123 Ca 0.62 1.44 -0.30 0.00 0.00 0.00 0.00 44.72 46.48 2nv3 s GLY 123 CO 0.49 2.08 0.94 0.21 0.00 0.00 0.00 173.10 176.82 2nv3 s ASN 124 N -0.42 -0.35 0.28 1.64 3.84 -1.26 -5.10 114.94 113.58 2nv3 s ASN 124 Ca 0.56 0.09 0.00 0.00 0.21 0.00 0.00 52.86 53.72 2nv3 s ASN 124 Cb -0.43 0.35 0.00 0.00 -0.55 0.00 0.00 41.25 40.61 2nv3 s ASN 124 CO 0.57 -0.53 0.00 -0.46 -2.79 0.00 0.00 177.10 173.89 2nv3 n ASN 125 N -0.02 -0.31 -4.84 -4.21 6.94 -1.26 -5.10 115.26 106.46 2nv3 n ASN 125 Ca -0.08 0.47 -0.37 0.00 -0.02 0.00 0.00 54.58 54.58 2nv3 n ASN 125 Cb 0.61 0.51 -0.06 0.00 -2.36 0.00 0.00 39.78 38.47 2nv3 n ASN 125 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2nv3 s SER 126 N -4.89 6.60 -0.30 0.53 0.01 -1.26 -5.07 113.70 109.32 2nv3 s SER 126 Ca 0.00 0.71 -0.14 0.00 1.31 0.00 0.00 55.95 57.84 2nv3 s SER 126 Cb 0.00 -2.17 0.17 0.00 0.21 0.00 0.00 66.02 64.23 2nv3 s SER 126 CO 0.00 0.34 1.02 0.00 0.41 0.00 0.00 173.24 175.00 2nv3 s GLN 127 N -0.89 0.24 -0.01 12.44 -2.07 -1.26 -5.18 119.66 122.94 2nv3 s GLN 127 Ca 0.19 0.53 -0.08 0.00 -1.82 0.00 0.00 55.36 54.18 2nv3 s GLN 127 Cb -0.14 0.31 0.00 0.00 -1.09 0.00 0.00 33.01 32.09 2nv3 s GLN 127 CO 0.09 -0.17 0.15 0.14 -1.32 0.00 0.00 175.29 174.18 2nv3 s VAL 128 N 2.64 0.07 1.11 3.63 -7.23 -1.26 -5.16 120.40 114.20 2nv3 s VAL 128 Ca -0.00 -0.59 -0.13 0.00 -1.81 0.00 0.00 61.98 59.45 2nv3 s VAL 128 Cb -0.08 -0.42 0.22 0.00 0.56 0.00 0.00 36.38 36.66 2nv3 s VAL 128 CO -0.15 -0.32 0.80 -0.24 -0.31 0.00 0.00 175.10 174.88 2nv3 n SER 129 N 1.63 -1.55 -4.73 4.85 2.88 -1.26 -4.96 113.62 110.49 2nv3 n SER 129 Ca -0.21 -0.03 -0.39 0.00 -1.33 0.00 0.00 58.87 56.91 2nv3 n SER 129 Cb 0.56 -1.23 -0.05 0.00 -0.75 0.00 0.00 64.21 62.73 2nv3 n SER 129 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2nv3 s GLN 130 N -4.20 4.40 -0.30 -1.46 -2.07 -1.26 -4.97 119.66 109.79 2nv3 s GLN 130 Ca 0.65 0.75 0.18 0.00 -1.82 0.00 0.00 55.36 55.12 2nv3 s GLN 130 Cb -0.22 -3.43 0.48 0.00 -1.09 0.00 0.00 33.01 28.75 2nv3 s GLN 130 CO 0.64 0.14 1.06 0.27 -1.32 0.00 0.00 175.29 176.09 2nv3 n ASN 131 N 3.57 2.18 -0.60 12.60 0.23 -1.26 -5.35 115.26 126.63 2nv3 n ASN 131 Ca -0.04 -2.61 0.07 0.00 -0.53 0.00 0.00 54.58 51.48 2nv3 n ASN 131 Cb 0.51 -0.48 0.06 0.00 -2.08 0.00 0.00 39.78 37.80 2nv3 n ASN 131 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33