#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4t s SER 2 N 0.00 2.63 0.41 1.61 0.15 -1.26 -5.15 113.70 112.09 1x4t s SER 2 Ca 0.00 -0.61 0.08 0.00 0.70 0.00 0.00 55.95 56.12 1x4t s SER 2 Cb 0.00 -0.19 -0.02 0.00 -1.71 0.00 0.00 66.02 64.10 1x4t s SER 2 CO 0.00 0.13 0.35 -0.94 1.20 0.00 0.00 173.24 173.99 1x4t s SER 3 N -1.52 5.03 -0.32 5.45 1.04 -1.26 -5.11 113.70 117.01 1x4t s SER 3 Ca 0.08 -0.74 -0.09 0.00 0.48 0.00 0.00 55.95 55.69 1x4t s SER 3 Cb -0.09 -0.61 0.19 0.00 0.10 0.00 0.00 66.02 65.60 1x4t s SER 3 CO 0.03 -0.61 1.02 -0.83 0.98 0.00 0.00 173.24 173.84 1x4t s GLY 4 N -4.10 -1.42 0.14 7.32 0.00 -1.26 -5.16 107.32 102.85 1x4t s GLY 4 Ca 0.47 1.37 -0.01 0.00 0.00 0.00 0.00 44.72 46.55 1x4t s GLY 4 CO 0.27 4.23 0.33 -0.56 0.00 0.00 0.00 173.10 177.37 1x4t s SER 5 N 2.15 6.40 -0.38 1.64 0.01 -1.26 -5.04 113.70 117.22 1x4t s SER 5 Ca 0.17 0.39 0.11 0.00 1.31 0.00 0.00 55.95 57.93 1x4t s SER 5 Cb 0.02 -2.00 0.44 0.00 0.21 0.00 0.00 66.02 64.68 1x4t s SER 5 CO -0.16 0.05 1.04 -0.24 0.41 0.00 0.00 173.24 174.33 1x4t n SER 6 N -0.22 3.16 -3.09 2.44 2.88 -1.26 -4.91 113.62 112.62 1x4t n SER 6 Ca -0.04 -3.23 -0.20 0.00 -1.33 0.00 0.00 58.87 54.06 1x4t n SER 6 Cb 0.53 -0.49 -0.04 0.00 -0.75 0.00 0.00 64.21 63.45 1x4t n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4t n GLY 7 N -0.29 2.23 3.90 0.46 0.00 -1.26 -5.13 105.19 105.10 1x4t n GLY 7 Ca 0.25 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 44.80 1x4t n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4t s LYS 8 N -0.78 3.33 0.00 1.61 -0.14 -1.26 -5.02 119.74 117.48 1x4t s LYS 8 Ca 0.34 0.32 0.00 0.00 -1.36 0.00 0.00 55.97 55.27 1x4t s LYS 8 Cb 0.19 -2.23 0.00 0.00 -1.68 0.00 0.00 37.83 34.10 1x4t s LYS 8 CO -0.14 -0.51 0.00 0.28 -0.76 0.00 0.00 175.35 174.22 1x4t n VAL 9 N -2.55 0.00 -4.03 3.17 0.31 -1.26 -5.09 118.33 108.88 1x4t n VAL 9 Ca 0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.26 1x4t n VAL 9 Cb 0.56 -0.47 -0.11 0.00 -0.91 0.00 0.00 33.84 32.90 1x4t n VAL 9 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1x4t s LYS 10 N -1.72 0.44 -0.25 5.55 -2.85 -1.26 -5.16 119.74 114.49 1x4t s LYS 10 Ca 0.00 -0.76 -0.27 0.00 -1.00 0.00 0.00 55.97 53.95 1x4t s LYS 10 Cb 0.00 -0.04 0.14 0.00 -2.06 0.00 0.00 37.83 35.87 1x4t s LYS 10 CO 0.00 -0.02 1.12 -2.00 0.10 0.00 0.00 175.35 174.56 1x4t s GLU 11 N -1.85 0.41 -0.11 1.78 2.56 -1.26 -5.16 118.70 115.07 1x4t s GLU 11 Ca -0.10 0.34 -0.02 0.00 0.00 0.00 0.00 54.97 55.19 1x4t s GLU 11 Cb -0.08 0.20 -0.03 0.00 2.00 0.00 0.00 34.13 36.22 1x4t s GLU 11 CO -0.01 -0.08 -0.05 0.50 -0.56 0.00 0.00 175.26 175.06 1x4t s ARG 12 N -0.24 3.24 0.35 4.30 3.00 -1.26 -5.10 118.95 123.24 1x4t s ARG 12 Ca 0.03 -0.52 -0.27 0.00 -1.00 0.00 0.00 55.73 53.96 1x4t s ARG 12 Cb -0.04 -2.77 -0.09 0.00 0.00 0.00 0.00 34.95 32.05 1x4t s ARG 12 CO -0.06 0.45 1.21 0.50 0.00 0.00 0.00 175.30 177.41 1x4t s ARG 13 N -0.22 4.27 0.00 5.12 3.52 -1.26 -5.04 118.95 125.34 1x4t s ARG 13 Ca 0.04 1.99 0.00 0.00 -0.13 0.00 0.00 55.73 57.62 1x4t s ARG 13 Cb -0.13 -2.92 0.00 0.00 -1.56 0.00 0.00 34.95 30.34 1x4t s ARG 13 CO 0.02 -0.18 0.00 -0.35 -0.81 0.00 0.00 175.30 173.98 1x4t n PRO 14 N 0.55 0.26 0.00 5.12 -0.04 -1.26 -5.04 135.00 134.59 1x4t n PRO 14 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1x4t n PRO 14 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 1x4t n PRO 14 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1x4t n PHE 15 N -1.24 0.00 -4.02 0.54 7.35 -1.26 -4.99 117.46 113.83 1x4t n PHE 15 Ca 0.00 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.36 1x4t n PHE 15 Cb 0.00 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.68 1x4t n PHE 15 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1x4t s LEU 16 N -4.15 3.14 0.63 -2.13 1.43 -1.26 -4.97 118.68 111.36 1x4t s LEU 16 Ca 0.00 -1.05 0.38 0.00 -1.03 0.00 0.00 54.13 52.43 1x4t s LEU 16 Cb 0.00 -1.59 2.12 0.00 0.03 0.00 0.00 46.19 46.74 1x4t s LEU 16 CO 0.00 -0.14 2.30 0.00 0.23 0.00 0.00 176.35 178.75 1x4t h ALA 17 N 7.92 1.23 0.00 4.21 0.00 -1.94 0.89 119.26 131.56 1x4t h ALA 17 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1x4t h ALA 17 Cb 1.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1x4t h ALA 17 CO 0.54 0.01 0.00 0.45 0.00 0.00 0.00 179.25 180.25 1x4t n SER 18 N -3.43 0.00 -0.02 0.00 2.88 -1.26 -2.89 113.62 108.90 1x4t n SER 18 Ca -0.03 -0.51 0.07 0.00 -1.33 0.00 0.00 58.87 57.07 1x4t n SER 18 Cb 0.09 -0.14 -0.14 0.00 -0.75 0.00 0.00 64.21 63.27 1x4t n SER 18 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1x4t n GLU 19 N -1.14 0.64 -2.42 -1.46 -0.58 0.30 -4.98 120.64 111.00 1x4t n GLU 19 Ca 0.17 -0.14 -0.37 0.00 -0.42 0.00 0.00 57.16 56.40 1x4t n GLU 19 Cb 0.16 -1.42 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 1x4t n GLU 19 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x4t n THR 21 N -0.11 0.66 -4.38 0.00 -2.24 -1.26 -5.04 114.28 101.91 1x4t n THR 21 Ca 0.05 -0.80 -0.33 0.00 -2.27 0.00 0.00 64.05 60.70 1x4t n THR 21 Cb 0.48 0.24 -0.16 0.00 -2.10 0.00 0.00 70.33 68.80 1x4t n THR 21 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x4t s GLU 22 N -1.01 3.10 0.01 -0.78 8.01 -1.26 -5.02 118.70 121.75 1x4t s GLU 22 Ca 0.11 -0.79 -0.25 0.00 0.01 0.00 0.00 54.97 54.05 1x4t s GLU 22 Cb 0.10 -2.59 -0.18 0.00 -4.31 0.00 0.00 34.13 27.15 1x4t s GLU 22 CO 0.01 -0.08 1.37 1.25 0.01 0.00 0.00 175.26 177.81 1x4t h LEU 23 N 7.59 -0.13 0.00 1.80 5.85 -1.93 -2.52 115.31 125.97 1x4t h LEU 23 Ca -0.38 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1x4t h LEU 23 Cb 1.17 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1x4t h LEU 23 CO 0.59 0.21 0.00 -0.81 -0.34 0.00 0.00 178.44 178.09 1x4t n PRO 24 N -5.01 0.15 -0.01 5.25 -0.04 -1.26 -2.64 135.00 131.44 1x4t n PRO 24 Ca -0.09 0.18 -0.18 0.00 -0.04 0.00 0.00 63.50 63.37 1x4t n PRO 24 Cb 0.21 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.03 1x4t n PRO 24 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x4t n LYS 25 N -1.35 0.73 0.22 0.54 4.76 -1.09 -3.73 118.16 118.25 1x4t n LYS 25 Ca 0.06 0.26 0.10 0.00 -2.87 0.00 0.00 58.31 55.85 1x4t n LYS 25 Cb 0.13 -1.71 0.42 0.00 -1.84 0.00 0.00 35.03 32.03 1x4t n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x4t h ALA 26 N 0.27 0.99 -0.09 7.82 0.00 -1.22 -3.12 119.26 123.91 1x4t h ALA 26 Ca -0.41 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.13 1x4t h ALA 26 Cb 2.03 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.79 1x4t h ALA 26 CO 0.08 0.29 -0.59 0.93 0.00 0.00 0.00 179.25 179.96 1x4t h GLU 27 N 0.00 0.56 -0.71 0.00 5.08 -1.68 -2.13 114.58 115.70 1x4t h GLU 27 Ca -0.00 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1x4t h GLU 27 Cb 0.80 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 1x4t h GLU 27 CO 0.03 1.11 0.44 1.57 -1.00 0.00 0.00 179.01 181.16 1x4t h LYS 28 N 0.17 0.94 -0.03 2.33 2.10 -1.63 -2.16 116.57 118.29 1x4t h LYS 28 Ca -0.05 -0.07 -0.20 0.00 -2.00 0.00 0.00 60.65 58.33 1x4t h LYS 28 Cb 1.25 -0.21 -0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1x4t h LYS 28 CO 0.12 0.65 -0.85 -1.49 -2.00 0.00 0.00 179.45 175.88 1x4t h TRP 29 N 0.97 0.52 -0.01 0.07 -0.00 -1.56 -2.70 115.95 113.25 1x4t h TRP 29 Ca 0.26 -0.26 0.01 0.00 -0.00 0.00 0.00 58.89 58.89 1x4t h TRP 29 Cb -0.07 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.16 29.01 1x4t h TRP 29 CO 0.00 1.06 -0.05 -0.09 -0.00 0.00 0.00 178.44 179.36 1x4t h ARG 30 N 0.22 -0.09 0.00 0.49 2.43 -0.76 0.76 114.38 117.44 1x4t h ARG 30 Ca -0.05 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 1x4t h ARG 30 Cb 1.46 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.01 1x4t h ARG 30 CO 0.14 -0.06 -0.36 0.07 -1.51 0.00 0.00 179.97 178.26 1x4t h ARG 31 N -0.09 0.00 -0.30 0.20 0.11 -1.51 -2.42 114.38 110.37 1x4t h ARG 31 Ca 0.02 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.92 1x4t h ARG 31 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 1x4t h ARG 31 CO -0.06 0.36 -0.54 0.37 0.10 0.00 0.00 179.97 180.20 1x4t h GLN 32 N 0.00 0.88 -0.09 0.08 4.15 -1.05 -3.07 115.11 116.01 1x4t h GLN 32 Ca -0.00 -0.55 -0.03 0.00 0.77 0.00 0.00 58.65 58.84 1x4t h GLN 32 Cb 0.71 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.46 1x4t h GLN 32 CO 0.05 1.19 -0.04 0.82 -1.93 0.00 0.00 178.83 178.91 1x4t h ILE 33 N 0.68 1.32 -0.99 2.39 2.04 -0.69 -3.07 117.51 119.20 1x4t h ILE 33 Ca 0.02 -1.06 0.22 0.00 1.00 0.00 0.00 64.86 65.04 1x4t h ILE 33 Cb 1.14 1.83 -0.09 0.00 -0.74 0.00 0.00 36.82 38.96 1x4t h ILE 33 CO 0.12 0.30 0.63 0.40 0.00 0.00 0.00 178.15 179.59 1x4t h ILE 34 N -0.17 0.64 -0.70 -0.67 2.04 -1.49 0.73 117.51 117.88 1x4t h ILE 34 Ca 0.02 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 1x4t h ILE 34 Cb 0.49 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1x4t h ILE 34 CO 0.01 0.10 0.19 1.23 0.00 0.00 0.00 178.15 179.68 1x4t h GLY 35 N 0.55 1.18 0.73 5.37 0.00 -1.44 -2.74 103.07 106.73 1x4t h GLY 35 Ca 0.56 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1x4t h GLY 35 CO -0.31 0.67 -0.05 0.83 0.00 0.00 0.00 176.54 177.68 1x4t h GLU 36 N 1.05 -0.14 -0.60 4.80 5.08 -0.83 -2.24 114.58 121.70 1x4t h GLU 36 Ca 0.22 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.72 1x4t h GLU 36 Cb 0.34 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.51 1x4t h GLU 36 CO -0.00 0.14 -0.01 0.82 -1.00 0.00 0.00 179.01 178.96 1x4t h ILE 37 N -0.41 0.50 0.84 3.13 2.04 -1.36 -2.25 117.51 120.00 1x4t h ILE 37 Ca -0.01 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1x4t h ILE 37 Cb 0.34 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1x4t h ILE 37 CO 0.02 0.02 -0.41 -1.28 0.00 0.00 0.00 178.15 176.50 1x4t h SER 38 N 0.11 -0.98 -0.90 1.72 0.87 -1.44 0.15 113.55 113.08 1x4t h SER 38 Ca 0.31 0.04 0.36 0.00 -1.23 0.00 0.00 61.79 61.27 1x4t h SER 38 Cb 0.49 0.26 -0.16 0.00 -0.44 0.00 0.00 62.40 62.55 1x4t h SER 38 CO -0.52 -0.69 0.43 0.29 -0.53 0.00 0.00 176.83 175.82 1x4t n LYS 39 N -5.07 -0.06 0.00 2.24 4.76 -0.85 0.83 118.16 120.01 1x4t n LYS 39 Ca -0.14 1.25 -0.17 0.00 -2.87 0.00 0.00 58.31 56.38 1x4t n LYS 39 Cb 0.45 -2.22 -0.13 0.00 -1.84 0.00 0.00 35.03 31.29 1x4t n LYS 39 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1x4t h LYS 40 N 0.00 0.25 -0.82 1.97 1.57 -1.11 -3.28 116.57 115.15 1x4t h LYS 40 Ca 0.74 -0.34 0.20 0.00 -1.87 0.00 0.00 60.65 59.38 1x4t h LYS 40 Cb 1.92 0.11 -0.12 0.00 0.08 0.00 0.00 32.23 34.22 1x4t h LYS 40 CO -0.71 1.09 0.24 0.28 -0.57 0.00 0.00 179.45 179.78 1x4t h VAL 41 N -0.42 0.43 0.16 0.50 2.07 0.34 -0.86 116.25 118.47 1x4t h VAL 41 Ca -0.08 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1x4t h VAL 41 Cb 1.30 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1x4t h VAL 41 CO 0.10 0.05 -0.20 0.00 0.02 0.00 0.00 177.57 177.54 1x4t h ALA 42 N 1.69 -0.37 -0.92 1.67 0.00 -1.26 -0.47 119.26 119.60 1x4t h ALA 42 Ca 0.49 -0.05 0.24 0.00 0.00 0.00 0.00 54.91 55.60 1x4t h ALA 42 Cb 0.92 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 1x4t h ALA 42 CO -0.57 -0.74 0.63 1.96 0.00 0.00 0.00 179.25 180.53 1x4t h GLN 43 N -0.41 0.19 0.03 0.00 4.20 -1.23 -1.24 115.11 116.64 1x4t h GLN 43 Ca 0.01 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1x4t h GLN 43 Cb 0.40 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1x4t h GLN 43 CO -0.07 0.12 -0.01 0.82 -0.67 0.00 0.00 178.83 179.02 1x4t h ILE 44 N 0.19 1.44 -0.64 2.54 1.08 -0.77 -3.22 117.51 118.13 1x4t h ILE 44 Ca 0.46 -1.69 0.19 0.00 -0.39 0.00 0.00 64.86 63.43 1x4t h ILE 44 Cb 1.50 2.53 -0.03 0.00 -3.07 0.00 0.00 36.82 37.76 1x4t h ILE 44 CO -0.10 0.42 0.54 1.56 -0.69 0.00 0.00 178.15 179.88 1x4t h GLN 45 N -0.80 0.00 -0.21 2.37 1.08 0.02 0.27 115.11 117.83 1x4t h GLN 45 Ca -0.00 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.04 1x4t h GLN 45 Cb 0.71 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 1x4t h GLN 45 CO 0.01 0.00 -0.52 -0.91 -0.95 0.00 0.00 178.83 176.46 1x4t h ASN 46 N 0.00 0.65 -6.37 1.46 2.35 -1.36 -3.47 115.58 108.84 1x4t h ASN 46 Ca 0.30 -0.34 -0.47 0.00 -0.55 0.00 0.00 56.30 55.25 1x4t h ASN 46 Cb 1.38 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.57 1x4t h ASN 46 CO -0.00 1.05 -0.90 0.00 -1.65 0.00 0.00 177.43 175.93 1x4t n ALA 47 N -2.52 -2.17 -2.71 -0.83 0.00 0.94 -4.89 120.51 108.32 1x4t n ALA 47 Ca -0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 53.44 53.13 1x4t n ALA 47 Cb 0.59 -2.29 0.10 0.00 0.00 0.00 0.00 19.45 17.85 1x4t n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4t n GLY 48 N -1.84 1.83 0.00 0.00 0.00 -1.26 -4.91 105.19 99.00 1x4t n GLY 48 Ca -0.25 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1x4t n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4t n LEU 49 N -1.07 0.00 0.00 0.99 4.77 -1.26 -5.12 117.00 115.32 1x4t n LEU 49 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1x4t n LEU 49 Cb 0.85 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1x4t n LEU 49 CO -0.06 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 1x4t n GLY 50 N 2.53 3.98 0.28 -0.72 0.00 -1.26 -4.68 105.19 105.32 1x4t n GLY 50 Ca 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 46.02 45.08 1x4t n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x4t n GLU 51 N 0.00 -0.14 -0.29 1.61 1.02 -1.26 0.23 120.64 121.81 1x4t n GLU 51 Ca 0.00 1.13 -0.02 0.00 -0.02 0.00 0.00 57.16 58.25 1x4t n GLU 51 Cb 0.00 -1.68 0.10 0.00 -0.02 0.00 0.00 31.44 29.85 1x4t n GLU 51 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1x4t h PHE 52 N 0.00 0.95 0.28 -0.32 -1.00 -2.00 -2.09 116.94 112.76 1x4t h PHE 52 Ca 0.28 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.07 1x4t h PHE 52 Cb 0.46 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 39.71 1x4t h PHE 52 CO -0.62 0.53 -0.14 0.00 -1.61 0.00 0.00 178.31 176.48 1x4t h ARG 53 N 0.98 -0.36 -1.01 1.51 2.47 0.26 -1.38 114.38 116.84 1x4t h ARG 53 Ca 0.33 0.02 0.25 0.00 -1.26 0.00 0.00 59.98 59.32 1x4t h ARG 53 Cb 0.04 0.08 -0.12 0.00 -1.65 0.00 0.00 29.97 28.32 1x4t h ARG 53 CO -0.12 -0.07 0.61 0.82 0.56 0.00 0.00 179.97 181.77 1x4t h ILE 54 N -0.66 0.53 -0.17 2.04 5.03 -0.34 0.13 117.51 124.07 1x4t h ILE 54 Ca -0.04 -0.19 -0.14 0.00 -0.12 0.00 0.00 64.86 64.38 1x4t h ILE 54 Cb 0.46 -0.06 0.00 0.00 -3.03 0.00 0.00 36.82 34.19 1x4t h ILE 54 CO 0.06 0.10 -0.42 0.03 -0.68 0.00 0.00 178.15 177.24 1x4t h ARG 55 N 0.54 0.58 0.00 2.37 2.47 -1.26 -2.40 114.38 116.68 1x4t h ARG 55 Ca 0.64 -0.40 -0.02 0.00 -1.26 0.00 0.00 59.98 58.93 1x4t h ARG 55 Cb 1.29 0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.67 1x4t h ARG 55 CO -0.44 1.02 -0.11 -0.44 0.56 0.00 0.00 179.97 180.56 1x4t h ASP 56 N 0.23 0.00 0.22 7.04 5.19 0.27 0.21 116.42 129.59 1x4t h ASP 56 Ca -0.01 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 1x4t h ASP 56 Cb 1.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.55 1x4t h ASP 56 CO 0.09 0.11 -0.10 -0.07 -3.12 0.00 0.00 179.24 176.15 1x4t h LEU 57 N 0.00 -0.25 -2.26 1.55 3.38 -0.79 -3.19 115.31 113.76 1x4t h LEU 57 Ca -0.00 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1x4t h LEU 57 Cb 0.20 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1x4t h LEU 57 CO 0.01 0.18 0.11 -0.55 0.09 0.00 0.00 178.44 178.28 1x4t h ASN 58 N -1.00 0.00 -0.53 -0.43 7.08 -1.39 -1.53 115.58 117.78 1x4t h ASN 58 Ca -0.03 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.17 1x4t h ASN 58 Cb 0.22 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.44 1x4t h ASN 58 CO 0.05 0.00 0.26 -0.78 -2.08 0.00 0.00 177.43 174.88 1x4t h ASP 59 N 0.00 0.69 0.25 6.14 1.82 -1.02 -2.83 116.42 121.46 1x4t h ASP 59 Ca 0.05 -0.13 -0.18 0.00 -0.39 0.00 0.00 57.03 56.38 1x4t h ASP 59 Cb 0.28 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.11 1x4t h ASP 59 CO -0.00 0.62 -0.73 -0.33 -1.61 0.00 0.00 179.24 177.19 1x4t h GLU 60 N 0.71 0.41 -0.53 0.28 4.39 -1.28 -3.31 114.58 115.25 1x4t h GLU 60 Ca 0.18 -0.34 0.07 0.00 0.34 0.00 0.00 59.36 59.61 1x4t h GLU 60 Cb 0.11 0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 28.74 1x4t h GLU 60 CO -0.02 0.98 -0.51 0.82 -1.16 0.00 0.00 179.01 179.12 1x4t h ILE 61 N 0.28 0.04 -0.46 3.13 1.08 -1.18 -0.21 117.51 120.19 1x4t h ILE 61 Ca -0.03 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.53 1x4t h ILE 61 Cb 1.31 0.04 -0.10 0.00 -3.07 0.00 0.00 36.82 35.00 1x4t h ILE 61 CO 0.13 0.00 -0.19 0.78 -0.69 0.00 0.00 178.15 178.18 1x4t h ASN 62 N -0.29 -0.66 -0.97 1.72 2.35 -1.63 0.16 115.58 116.25 1x4t h ASN 62 Ca 0.13 0.16 0.15 0.00 -0.55 0.00 0.00 56.30 56.19 1x4t h ASN 62 Cb 0.57 0.37 -0.09 0.00 0.05 0.00 0.00 38.32 39.23 1x4t h ASN 62 CO -0.66 -0.22 0.61 0.11 -1.65 0.00 0.00 177.43 175.62 1x4t h LYS 63 N -0.09 0.82 -0.29 0.81 1.79 -1.26 -0.82 116.57 117.53 1x4t h LYS 63 Ca 0.22 -0.05 -0.17 0.00 -2.18 0.00 0.00 60.65 58.47 1x4t h LYS 63 Cb 0.43 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1x4t h LYS 63 CO -0.53 0.54 -0.48 -0.07 -1.08 0.00 0.00 179.45 177.83 1x4t h LEU 64 N 0.84 0.93 0.41 2.94 3.38 0.80 -3.18 115.31 121.43 1x4t h LEU 64 Ca 0.50 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1x4t h LEU 64 Cb 0.68 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1x4t h LEU 64 CO -0.28 1.27 -0.32 0.25 0.09 0.00 0.00 178.44 179.46 1x4t h LEU 65 N 0.62 -0.83 -0.77 1.67 5.85 0.56 -2.71 115.31 119.69 1x4t h LEU 65 Ca 0.02 0.06 0.17 0.00 0.84 0.00 0.00 57.88 58.97 1x4t h LEU 65 Cb 1.09 0.27 -0.14 0.00 0.37 0.00 0.00 40.66 42.24 1x4t h LEU 65 CO 0.11 -0.48 -0.09 0.03 -0.34 0.00 0.00 178.44 177.67 1x4t h ARG 66 N -0.73 0.04 -0.86 1.25 3.08 -1.36 0.34 114.38 116.15 1x4t h ARG 66 Ca -0.04 -0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.18 1x4t h ARG 66 Cb 0.63 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.57 1x4t h ARG 66 CO -0.00 0.03 0.42 1.49 -1.07 0.00 0.00 179.97 180.83 1x4t h GLU 67 N 0.04 0.54 0.54 0.04 4.57 -1.46 -2.06 114.58 116.78 1x4t h GLU 67 Ca 0.40 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.52 1x4t h GLU 67 Cb 0.67 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1x4t h GLU 67 CO -0.74 0.35 -0.26 -0.22 -1.18 0.00 0.00 179.01 176.96 1x4t h LYS 68 N 0.55 -0.70 -1.65 1.92 3.64 -0.15 -0.92 116.57 119.27 1x4t h LYS 68 Ca 0.49 0.05 0.49 0.00 -1.27 0.00 0.00 60.65 60.40 1x4t h LYS 68 Cb 0.76 0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.66 1x4t h LYS 68 CO -0.41 -0.43 1.17 0.78 -2.27 0.00 0.00 179.45 178.29 1x4t h GLY 69 N -0.82 0.24 0.52 5.01 0.00 -0.79 0.42 103.07 107.66 1x4t h GLY 69 Ca -0.07 -0.02 -0.27 0.00 0.00 0.00 0.00 47.33 46.96 1x4t h GLY 69 CO 0.12 -0.07 -1.38 0.45 0.00 0.00 0.00 176.54 175.66 1x4t h HIS 70 N 0.02 0.41 0.18 5.60 3.86 -1.25 -3.31 115.15 120.66 1x4t h HIS 70 Ca 0.82 -0.30 -0.01 0.00 -1.16 0.00 0.00 60.37 59.72 1x4t h HIS 70 Cb 3.15 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 31.60 1x4t h HIS 70 CO -0.00 1.54 -0.09 -1.49 0.86 0.00 0.00 177.93 178.75 1x4t h TRP 71 N -0.35 -0.23 -0.81 2.45 4.06 0.11 0.77 115.95 121.95 1x4t h TRP 71 Ca -0.30 -0.01 0.24 0.00 2.06 0.00 0.00 58.89 60.88 1x4t h TRP 71 Cb 1.72 0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 29.93 1x4t h TRP 71 CO 0.13 -0.14 1.04 0.93 -3.56 0.00 0.00 178.44 176.84 1x4t h GLU 72 N -0.34 0.00 0.03 0.49 5.08 -0.78 1.18 114.58 120.24 1x4t h GLU 72 Ca -0.03 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.98 1x4t h GLU 72 Cb 0.19 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 1x4t h GLU 72 CO 0.04 0.00 -2.14 0.28 -1.00 0.00 0.00 179.01 176.19 1x4t n VAL 73 N -3.25 1.58 0.24 3.13 0.31 -1.15 -2.58 118.33 116.61 1x4t n VAL 73 Ca 0.18 -0.72 0.11 0.00 -0.01 0.00 0.00 64.34 63.90 1x4t n VAL 73 Cb 1.29 -1.19 0.60 0.00 -0.91 0.00 0.00 33.84 33.63 1x4t n VAL 73 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1x4t h ARG 74 N 0.02 0.00 0.00 5.55 9.65 0.81 -2.36 114.38 128.05 1x4t h ARG 74 Ca -0.46 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.33 1x4t h ARG 74 Cb 2.05 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.61 1x4t h ARG 74 CO 0.03 0.18 -0.44 0.82 2.80 0.00 0.00 179.97 183.36 1x4t h ILE 75 N 0.00 1.31 0.10 1.20 2.04 -1.05 -2.98 117.51 118.12 1x4t h ILE 75 Ca -0.00 -1.53 -0.22 0.00 1.00 0.00 0.00 64.86 64.11 1x4t h ILE 75 Cb 0.52 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1x4t h ILE 75 CO 0.02 0.44 -1.08 0.50 0.00 0.00 0.00 178.15 178.03 1x4t h LYS 76 N 0.00 0.22 -0.18 2.37 3.64 -1.36 0.54 116.57 121.80 1x4t h LYS 76 Ca -0.00 -0.37 0.05 0.00 -1.27 0.00 0.00 60.65 59.06 1x4t h LYS 76 Cb 0.79 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1x4t h LYS 76 CO 0.06 1.18 0.34 0.93 -2.27 0.00 0.00 179.45 179.68 1x4t h GLU 77 N -0.45 0.00 0.00 1.90 5.08 -1.44 0.36 114.58 120.02 1x4t h GLU 77 Ca -0.23 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.93 1x4t h GLU 77 Cb 1.61 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.83 1x4t h GLU 77 CO 0.06 0.00 -1.19 -0.07 -1.00 0.00 0.00 179.01 176.81 1x4t h LEU 78 N 0.00 0.00 0.00 1.33 4.07 -1.61 -3.47 115.31 115.63 1x4t h LEU 78 Ca 0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1x4t h LEU 78 Cb 0.76 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.50 1x4t h LEU 78 CO -0.00 0.80 0.00 0.61 -1.08 0.00 0.00 178.44 178.77 1x4t n GLY 79 N 1.39 0.75 0.00 0.83 0.00 0.12 -4.97 105.19 103.32 1x4t n GLY 79 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1x4t n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4t n GLY 80 N 0.00 2.99 3.77 -0.02 0.00 0.18 -4.99 105.19 107.12 1x4t n GLY 80 Ca 0.00 -2.00 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 1x4t n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4t s PRO 81 N 2.85 2.67 -0.42 1.61 0.04 -1.26 -4.40 135.00 136.10 1x4t s PRO 81 Ca 0.00 1.34 -0.10 0.00 0.04 0.00 0.00 61.00 62.28 1x4t s PRO 81 Cb 0.00 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.67 1x4t s PRO 81 CO 0.00 -1.35 0.26 0.16 0.04 0.00 0.00 177.00 176.12 1x4t s ASP 82 N -2.77 5.71 -0.19 6.66 -4.77 -1.26 -3.04 116.67 117.00 1x4t s ASP 82 Ca 0.66 -1.39 0.13 0.00 -3.30 0.00 0.00 52.55 48.65 1x4t s ASP 82 Cb -0.20 -2.01 -0.21 0.00 -1.09 0.00 0.00 42.92 39.41 1x4t s ASP 82 CO 0.45 -0.52 0.01 -1.22 0.70 0.00 0.00 175.17 174.59 1x4t n TYR 83 N 4.96 0.00 0.01 2.11 4.01 -1.09 -4.52 117.16 122.65 1x4t n TYR 83 Ca -0.11 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.59 1x4t n TYR 83 Cb 0.44 -0.88 -0.11 0.00 -0.31 0.00 0.00 39.34 38.48 1x4t n TYR 83 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1x4t h GLY 84 N 3.19 0.00 0.50 2.72 0.00 -1.83 -3.31 103.07 104.34 1x4t h GLY 84 Ca -0.49 0.00 0.09 0.00 0.00 0.00 0.00 47.33 46.94 1x4t h GLY 84 CO 0.01 0.00 0.43 1.70 0.00 0.00 0.00 176.54 178.67 1x4t h LYS 85 N 0.00 0.69 -0.65 4.80 1.63 -1.83 0.53 116.57 121.74 1x4t h LYS 85 Ca -0.20 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 1x4t h LYS 85 Cb 1.80 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 33.27 1x4t h LYS 85 CO 0.07 0.46 0.00 1.33 -3.45 0.00 0.00 179.45 177.86 1x4t n VAL 86 N -4.79 1.72 -3.89 2.00 0.24 -1.26 -4.72 118.33 107.63 1x4t n VAL 86 Ca 0.13 -0.97 -0.30 0.00 -2.04 0.00 0.00 64.34 61.15 1x4t n VAL 86 Cb 0.28 -0.14 -0.15 0.00 -1.47 0.00 0.00 33.84 32.36 1x4t n VAL 86 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1x4t s SER 87 N -0.70 4.35 0.00 -1.34 0.15 0.18 -5.06 113.70 111.28 1x4t s SER 87 Ca 0.40 -2.25 0.00 0.00 0.70 0.00 0.00 55.95 54.80 1x4t s SER 87 Cb 0.28 -1.36 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 1x4t s SER 87 CO 0.16 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1x4t n GLY 88 N 4.09 3.54 3.77 9.45 0.00 -1.26 -4.85 105.19 119.92 1x4t n GLY 88 Ca 0.03 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 1x4t n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4t s PRO 89 N -1.26 3.97 -0.54 1.61 0.04 -1.26 -5.00 135.00 132.55 1x4t s PRO 89 Ca 0.00 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 1x4t s PRO 89 Cb 0.00 -2.61 0.13 0.00 0.04 0.00 0.00 34.50 32.06 1x4t s PRO 89 CO 0.00 -0.40 0.44 -1.12 0.04 0.00 0.00 177.00 175.97 1x4t s SER 90 N -1.15 5.95 0.02 6.66 0.01 -1.26 -5.05 113.70 118.88 1x4t s SER 90 Ca 0.59 -1.99 -0.30 0.00 1.31 0.00 0.00 55.95 55.56 1x4t s SER 90 Cb -0.31 -2.09 -0.06 0.00 0.21 0.00 0.00 66.02 63.76 1x4t s SER 90 CO 0.39 -0.73 1.49 -0.44 0.41 0.00 0.00 173.24 174.36 1x4t s SER 91 N 2.86 6.76 0.00 2.44 0.01 -1.26 -5.35 113.70 119.16 1x4t s SER 91 Ca 0.06 2.25 0.00 0.00 1.31 0.00 0.00 55.95 59.57 1x4t s SER 91 Cb -0.26 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.41 1x4t s SER 91 CO -0.00 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.47