#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 3.81 0.19 1.61 0.01 -1.26 -5.16 113.70 112.91 1x4t s SER 2 Ca 0.00 -1.26 0.09 0.00 1.31 0.00 0.00 55.95 56.09 1x4t s SER 2 Cb 0.00 -0.38 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 1x4t s SER 2 CO 0.00 -0.31 -0.19 -0.44 0.41 0.00 0.00 173.24 172.71 1x4t s SER 3 N -3.66 2.95 0.02 2.44 0.01 -1.26 -5.14 113.70 109.06 1x4t s SER 3 Ca 0.34 -0.91 -0.08 0.00 1.31 0.00 0.00 55.95 56.61 1x4t s SER 3 Cb 0.05 -0.19 0.03 0.00 0.21 0.00 0.00 66.02 66.12 1x4t s SER 3 CO 0.17 -0.01 0.36 0.61 0.41 0.00 0.00 173.24 174.78 1x4t n GLY 4 N 0.08 0.75 3.95 3.44 0.00 -1.26 -5.17 105.19 106.98 1x4t n GLY 4 Ca -0.11 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 1x4t n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4t s SER 5 N -1.82 5.86 -0.11 1.61 1.04 -1.26 -5.06 113.70 113.96 1x4t s SER 5 Ca 0.08 0.33 -0.05 0.00 0.48 0.00 0.00 55.95 56.79 1x4t s SER 5 Cb -0.01 -1.58 -0.02 0.00 0.10 0.00 0.00 66.02 64.52 1x4t s SER 5 CO 0.01 -0.69 -0.09 0.77 0.98 0.00 0.00 173.24 174.22 1x4t h SER 6 N 0.39 0.00 -5.00 7.02 4.64 -2.07 -3.51 113.55 115.02 1x4t h SER 6 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1x4t h SER 6 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1x4t h SER 6 CO 0.58 0.57 0.00 0.61 -0.87 0.00 0.00 176.83 177.72 1x4t n GLY 7 N 1.71 -2.24 2.85 -0.77 0.00 -1.26 -5.05 105.19 100.43 1x4t n GLY 7 Ca -0.04 -2.15 -0.13 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.58 -0.00 -0.27 1.61 -0.14 -1.26 -5.15 119.74 113.95 1x4t s LYS 8 Ca 0.00 0.04 -0.23 0.00 -1.36 0.00 0.00 55.97 54.42 1x4t s LYS 8 Cb 0.00 -0.06 0.08 0.00 -1.68 0.00 0.00 37.83 36.16 1x4t s LYS 8 CO 0.00 -0.04 0.73 0.54 -0.76 0.00 0.00 175.35 175.83 1x4t s VAL 9 N 0.25 0.00 0.02 3.17 0.11 -1.26 -5.13 120.40 117.56 1x4t s VAL 9 Ca -0.02 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.73 1x4t s VAL 9 Cb -0.03 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.75 1x4t s VAL 9 CO -0.01 0.00 1.68 -0.75 -3.33 0.00 0.00 175.10 172.69 1x4t s LYS 10 N 0.68 4.19 0.06 1.54 2.20 -1.26 -5.00 119.74 122.15 1x4t s LYS 10 Ca -0.02 2.30 0.05 0.00 -0.36 0.00 0.00 55.97 57.95 1x4t s LYS 10 Cb -0.05 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.45 1x4t s LYS 10 CO -0.05 -0.79 -0.08 -2.00 -0.36 0.00 0.00 175.35 172.08 1x4t s GLU 11 N 3.28 2.34 0.04 4.03 2.56 -1.26 -5.11 118.70 124.58 1x4t s GLU 11 Ca 0.75 -0.89 -0.21 0.00 0.00 0.00 0.00 54.97 54.62 1x4t s GLU 11 Cb -0.38 -2.40 -0.06 0.00 2.00 0.00 0.00 34.13 33.29 1x4t s GLU 11 CO 0.32 0.55 0.63 0.50 -0.56 0.00 0.00 175.26 176.70 1x4t s ARG 12 N -1.89 4.33 0.24 4.30 6.06 -1.26 -5.05 118.95 125.69 1x4t s ARG 12 Ca 0.20 0.81 -0.30 0.00 -2.50 0.00 0.00 55.73 53.95 1x4t s ARG 12 Cb -0.11 -3.31 -0.09 0.00 0.06 0.00 0.00 34.95 31.50 1x4t s ARG 12 CO 0.12 0.44 1.13 0.50 -2.50 0.00 0.00 175.30 174.99 1x4t s ARG 13 N -0.49 4.59 0.00 5.12 3.52 -1.26 -5.05 118.95 125.39 1x4t s ARG 13 Ca 0.32 1.82 0.00 0.00 -0.13 0.00 0.00 55.73 57.74 1x4t s ARG 13 Cb -0.19 -3.21 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 1x4t s ARG 13 CO 0.19 0.11 0.00 -0.35 -0.81 0.00 0.00 175.30 174.44 1x4t n PRO 14 N 1.66 0.26 0.00 5.12 -0.04 -1.26 -5.05 135.00 135.69 1x4t n PRO 14 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1x4t n PRO 14 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 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 -1.25 0.00 -3.40 0.54 7.35 -1.26 -4.99 117.46 114.46 1x4t n PHE 15 Ca 0.00 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.25 1x4t n PHE 15 Cb 0.00 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.76 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 -3.34 5.68 0.51 -2.13 1.43 -1.26 -4.93 118.68 114.64 1x4t s LEU 16 Ca 0.00 -1.44 0.30 0.00 -1.03 0.00 0.00 54.13 51.96 1x4t s LEU 16 Cb 0.00 -2.17 1.41 0.00 0.03 0.00 0.00 46.19 45.46 1x4t s LEU 16 CO 0.00 -0.67 1.85 0.00 0.23 0.00 0.00 176.35 177.75 1x4t h ALA 17 N 8.74 2.77 -0.31 4.21 0.00 -1.94 0.43 119.26 133.15 1x4t h ALA 17 Ca -0.28 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1x4t h ALA 17 Cb 1.11 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1x4t h ALA 17 CO 0.89 -1.07 -0.08 0.66 0.00 0.00 0.00 179.25 179.65 1x4t h SER 18 N 0.10 0.49 -0.53 0.00 4.64 -1.95 -2.64 113.55 113.67 1x4t h SER 18 Ca 0.49 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.65 1x4t h SER 18 Cb 1.78 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 63.71 1x4t h SER 18 CO -0.07 0.62 0.16 -0.33 -0.87 0.00 0.00 176.83 176.35 1x4t h GLU 19 N 0.48 0.87 -6.12 4.77 4.39 -0.55 -3.37 114.58 115.06 1x4t h GLU 19 Ca 0.09 -0.17 -0.52 0.00 0.34 0.00 0.00 59.36 59.10 1x4t h GLU 19 Cb 0.44 -0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 28.88 1x4t h GLU 19 CO 0.02 0.76 1.23 0.00 -1.16 0.00 0.00 179.01 179.86 1x4t n THR 21 N 6.91 1.16 -3.65 0.00 -2.24 -1.26 -4.83 114.28 110.37 1x4t n THR 21 Ca 0.23 -0.71 -0.38 0.00 -2.27 0.00 0.00 64.05 60.93 1x4t n THR 21 Cb 0.50 -0.10 -0.12 0.00 -2.10 0.00 0.00 70.33 68.52 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 -1.77 3.80 0.08 -0.78 8.01 -1.26 -4.99 118.70 121.79 1x4t s GLU 22 Ca 0.30 -0.41 -0.26 0.00 0.01 0.00 0.00 54.97 54.62 1x4t s GLU 22 Cb 0.20 -3.55 -0.16 0.00 -4.31 0.00 0.00 34.13 26.31 1x4t s GLU 22 CO 0.13 -0.21 1.68 1.25 0.01 0.00 0.00 175.26 178.13 1x4t h LEU 23 N 8.33 -0.20 0.00 1.80 5.85 -1.89 -2.03 115.31 127.17 1x4t h LEU 23 Ca -0.36 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1x4t h LEU 23 Cb 1.18 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1x4t h LEU 23 CO 0.57 -0.12 0.00 -0.81 -0.34 0.00 0.00 178.44 177.74 1x4t n PRO 24 N -5.18 0.14 0.03 5.25 -0.04 -1.26 -2.57 135.00 131.37 1x4t n PRO 24 Ca -0.09 0.18 -0.17 0.00 -0.04 0.00 0.00 63.50 63.38 1x4t n PRO 24 Cb 0.13 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.95 1x4t n PRO 24 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1x4t h LYS 25 N 0.00 0.21 -0.20 0.54 1.79 -1.79 -3.30 116.57 113.82 1x4t h LYS 25 Ca 0.00 -0.36 -0.21 0.00 -2.18 0.00 0.00 60.65 57.90 1x4t h LYS 25 Cb 0.17 0.13 0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1x4t h LYS 25 CO 0.00 1.03 -0.69 0.00 -1.08 0.00 0.00 179.45 178.71 1x4t h ALA 26 N 0.43 0.40 0.00 3.86 0.00 -1.19 -2.76 119.26 120.00 1x4t h ALA 26 Ca -0.32 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1x4t h ALA 26 Cb 2.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1x4t h ALA 26 CO 0.12 0.69 0.00 0.93 0.00 0.00 0.00 179.25 180.99 1x4t h GLU 27 N 0.57 0.00 0.03 0.00 5.08 -1.70 0.22 114.58 118.78 1x4t h GLU 27 Ca -0.03 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 1x4t h GLU 27 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1x4t h GLU 27 CO 0.14 0.00 -0.75 -0.22 -1.00 0.00 0.00 179.01 177.18 1x4t h LYS 28 N 0.00 0.07 0.00 2.33 3.64 -1.60 -3.26 116.57 117.75 1x4t h LYS 28 Ca 0.00 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 1x4t h LYS 28 Cb 0.27 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1x4t h LYS 28 CO 0.00 1.05 -0.40 -1.49 -2.27 0.00 0.00 179.45 176.34 1x4t h TRP 29 N -0.82 0.00 -0.39 1.91 -0.00 -1.31 -3.03 115.95 112.31 1x4t h TRP 29 Ca -0.19 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.65 1x4t h TRP 29 Cb 1.29 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 30.44 1x4t h TRP 29 CO 0.18 0.40 0.05 -0.09 -0.00 0.00 0.00 178.44 178.99 1x4t h ARG 30 N 0.00 0.66 -0.09 0.49 2.43 -0.70 -2.13 114.38 115.04 1x4t h ARG 30 Ca -0.00 -0.18 -0.12 0.00 -0.81 0.00 0.00 59.98 58.86 1x4t h ARG 30 Cb 1.06 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1x4t h ARG 30 CO 0.05 0.72 -0.47 0.07 -1.51 0.00 0.00 179.97 178.83 1x4t h ARG 31 N 0.50 0.23 -0.56 0.20 0.11 -1.59 -2.87 114.38 110.39 1x4t h ARG 31 Ca 0.12 -0.12 -0.09 0.00 0.10 0.00 0.00 59.98 59.98 1x4t h ARG 31 Cb 0.39 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.46 1x4t h ARG 31 CO 0.01 0.66 -0.02 0.37 0.10 0.00 0.00 179.97 181.09 1x4t h GLN 32 N 0.19 0.98 -0.55 0.08 5.75 -1.38 -2.69 115.11 117.48 1x4t h GLN 32 Ca 0.01 -0.31 -0.11 0.00 -0.15 0.00 0.00 58.65 58.10 1x4t h GLN 32 Cb 0.91 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.35 1x4t h GLN 32 CO 0.07 0.98 -0.08 0.82 -2.65 0.00 0.00 178.83 177.97 1x4t h ILE 33 N 0.89 1.27 -0.79 2.39 2.04 -1.26 -2.91 117.51 119.14 1x4t h ILE 33 Ca 0.16 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 1x4t h ILE 33 Cb 0.55 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1x4t h ILE 33 CO 0.03 0.43 0.43 0.40 0.00 0.00 0.00 178.15 179.44 1x4t h ILE 34 N 0.90 1.23 -0.27 -0.67 2.04 -1.33 -1.83 117.51 117.57 1x4t h ILE 34 Ca 0.15 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.38 1x4t h ILE 34 Cb 0.63 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1x4t h ILE 34 CO 0.04 0.26 -0.08 1.23 0.00 0.00 0.00 178.15 179.60 1x4t h GLY 35 N 1.13 0.46 0.82 5.37 0.00 -1.29 -2.62 103.07 106.94 1x4t h GLY 35 Ca 0.28 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 47.18 1x4t h GLY 35 CO -0.04 0.27 -0.47 0.83 0.00 0.00 0.00 176.54 177.12 1x4t h GLU 36 N 0.41 0.46 -0.40 4.80 5.08 -1.28 -2.31 114.58 121.33 1x4t h GLU 36 Ca 0.08 -0.39 0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1x4t h GLU 36 Cb 0.39 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 1x4t h GLU 36 CO 0.02 1.03 0.07 0.82 -1.00 0.00 0.00 179.01 179.95 1x4t h ILE 37 N 0.02 0.79 0.71 3.13 2.04 -1.21 -1.56 117.51 121.43 1x4t h ILE 37 Ca -0.04 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1x4t h ILE 37 Cb 1.13 0.57 0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1x4t h ILE 37 CO 0.10 0.04 -0.34 -1.28 0.00 0.00 0.00 178.15 176.66 1x4t h SER 38 N 0.20 -0.80 -1.45 1.72 0.87 -1.54 -0.48 113.55 112.06 1x4t h SER 38 Ca 0.19 0.03 0.45 0.00 -1.23 0.00 0.00 61.79 61.23 1x4t h SER 38 Cb 0.23 0.21 -0.11 0.00 -0.44 0.00 0.00 62.40 62.29 1x4t h SER 38 CO -0.26 -0.44 0.98 0.11 -0.53 0.00 0.00 176.83 176.70 1x4t h LYS 39 N -1.23 0.07 0.20 2.24 1.79 -1.33 0.74 116.57 119.05 1x4t h LYS 39 Ca -0.10 -0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.10 1x4t h LYS 39 Cb 0.73 -0.01 0.03 0.00 -1.58 0.00 0.00 32.23 31.39 1x4t h LYS 39 CO 0.16 0.04 -1.20 0.87 -1.08 0.00 0.00 179.45 178.24 1x4t h LYS 40 N 0.07 0.43 -0.98 3.15 1.57 -1.14 -3.32 116.57 116.35 1x4t h LYS 40 Ca 0.82 -0.73 0.14 0.00 -1.87 0.00 0.00 60.65 59.01 1x4t h LYS 40 Cb 2.79 0.27 -0.09 0.00 0.08 0.00 0.00 32.23 35.28 1x4t h LYS 40 CO -0.28 1.35 0.59 0.28 -0.57 0.00 0.00 179.45 180.83 1x4t h VAL 41 N -0.09 0.83 -0.70 0.50 2.07 0.22 -0.90 116.25 118.18 1x4t h VAL 41 Ca -0.21 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.06 1x4t h VAL 41 Cb 1.93 -0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1x4t h VAL 41 CO 0.22 0.16 0.41 0.00 0.02 0.00 0.00 177.57 178.38 1x4t h ALA 42 N 1.57 0.93 0.00 1.67 0.00 -1.38 0.32 119.26 122.37 1x4t h ALA 42 Ca 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 1x4t h ALA 42 Cb 0.63 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1x4t h ALA 42 CO -0.31 0.13 -0.07 1.96 0.00 0.00 0.00 179.25 180.96 1x4t h GLN 43 N 0.77 0.00 0.25 0.00 4.20 -1.27 -1.89 115.11 117.17 1x4t h GLN 43 Ca 0.30 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.67 1x4t h GLN 43 Cb 0.13 0.00 0.04 0.00 0.30 0.00 0.00 27.48 27.94 1x4t h GLN 43 CO -0.15 0.07 -1.51 0.82 -0.67 0.00 0.00 178.83 177.38 1x4t h ILE 44 N 0.00 1.25 0.00 2.54 1.08 -0.91 -3.28 117.51 118.18 1x4t h ILE 44 Ca -0.00 -2.69 -0.03 0.00 -0.39 0.00 0.00 64.86 61.75 1x4t h ILE 44 Cb 0.12 3.01 -0.00 0.00 -3.07 0.00 0.00 36.82 36.88 1x4t h ILE 44 CO 0.01 0.82 -0.13 1.56 -0.69 0.00 0.00 178.15 179.72 1x4t h GLN 45 N 0.14 0.00 0.00 2.37 1.08 -0.52 -1.72 115.11 116.47 1x4t h GLN 45 Ca -0.27 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 56.86 1x4t h GLN 45 Cb 2.17 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.59 1x4t h GLN 45 CO 0.27 0.13 -0.34 -0.91 -0.95 0.00 0.00 178.83 177.03 1x4t h ASN 46 N 0.00 0.00 -6.84 1.46 2.35 -1.41 -3.47 115.58 107.67 1x4t h ASN 46 Ca -0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 1x4t h ASN 46 Cb 0.31 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 38.47 1x4t h ASN 46 CO 0.02 0.34 -0.85 0.00 -1.65 0.00 0.00 177.43 175.28 1x4t n ALA 47 N -2.32 -1.81 -2.47 -0.83 0.00 -0.65 -4.79 120.51 107.65 1x4t n ALA 47 Ca -0.01 -0.35 0.01 0.00 0.00 0.00 0.00 53.44 53.09 1x4t n ALA 47 Cb 0.46 -0.86 0.01 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.26 1.10 0.00 0.00 0.00 -1.26 -4.85 105.19 97.92 1x4t n GLY 48 Ca -0.25 -0.68 0.01 0.00 0.00 0.00 0.00 46.02 45.10 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 0.09 0.02 0.00 0.99 4.77 -1.26 -5.12 117.00 116.50 1x4t n LEU 49 Ca -0.02 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1x4t n LEU 49 Cb 0.99 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 1x4t n LEU 49 CO -0.05 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 1x4t n GLY 50 N 2.10 2.83 0.30 -0.72 0.00 -1.26 -4.56 105.19 103.88 1x4t n GLY 50 Ca -0.00 -1.43 -0.07 0.00 0.00 0.00 0.00 46.02 44.52 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 1.31 -0.30 -0.34 1.61 1.02 -1.26 0.15 120.64 122.84 1x4t n GLU 51 Ca 0.00 1.09 0.16 0.00 -0.02 0.00 0.00 57.16 58.39 1x4t n GLU 51 Cb 0.00 -1.61 0.32 0.00 -0.02 0.00 0.00 31.44 30.13 1x4t n GLU 51 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1x4t h PHE 52 N 0.00 0.05 0.36 -0.32 -0.00 -2.00 0.03 116.94 115.06 1x4t h PHE 52 Ca 0.13 0.07 -0.02 0.00 -0.00 0.00 0.00 57.97 58.15 1x4t h PHE 52 Cb 0.31 0.14 0.00 0.00 -0.00 0.00 0.00 35.95 36.41 1x4t h PHE 52 CO -0.73 -0.43 -0.17 0.00 -0.00 0.00 0.00 178.31 176.98 1x4t h ARG 53 N 0.02 -0.46 -1.44 6.09 2.47 0.11 -2.12 114.38 119.04 1x4t h ARG 53 Ca 0.62 0.03 0.47 0.00 -1.26 0.00 0.00 59.98 59.84 1x4t h ARG 53 Cb 1.32 0.11 -0.12 0.00 -1.65 0.00 0.00 29.97 29.63 1x4t h ARG 53 CO -0.90 -0.19 0.95 0.82 0.56 0.00 0.00 179.97 181.21 1x4t h ILE 54 N -1.04 0.08 0.00 2.04 5.03 0.37 0.36 117.51 124.36 1x4t h ILE 54 Ca -0.05 -0.02 -0.00 0.00 -0.12 0.00 0.00 64.86 64.67 1x4t h ILE 54 Cb 0.49 0.03 0.00 0.00 -3.03 0.00 0.00 36.82 34.30 1x4t h ILE 54 CO 0.08 0.01 -0.00 0.03 -0.68 0.00 0.00 178.15 177.59 1x4t h ARG 55 N 0.05 -0.01 0.00 2.37 2.47 -1.05 -2.03 114.38 116.17 1x4t h ARG 55 Ca 0.85 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.57 1x4t h ARG 55 Cb 2.84 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 31.16 1x4t h ARG 55 CO -0.36 0.87 0.12 -0.44 0.56 0.00 0.00 179.97 180.72 1x4t h ASP 56 N -0.93 0.00 0.00 7.04 5.19 0.31 -1.02 116.42 127.02 1x4t h ASP 56 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1x4t h ASP 56 Cb 0.87 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.38 1x4t h ASP 56 CO 0.00 0.00 -0.28 0.18 -3.12 0.00 0.00 179.24 176.02 1x4t n LEU 57 N -2.74 0.86 0.15 1.55 4.77 0.20 -4.00 117.00 117.79 1x4t n LEU 57 Ca -0.02 0.38 0.17 0.00 -0.03 0.00 0.00 56.01 56.52 1x4t n LEU 57 Cb 0.17 -0.67 0.62 0.00 -2.33 0.00 0.00 43.42 41.21 1x4t n LEU 57 CO 0.15 -0.47 1.15 -0.55 -1.33 0.00 0.00 177.39 176.34 1x4t h ASN 58 N -0.47 0.00 0.10 -1.43 7.08 -1.26 0.68 115.58 120.28 1x4t h ASN 58 Ca 0.00 0.00 -0.16 0.00 -3.08 0.00 0.00 56.30 53.06 1x4t h ASN 58 Cb 0.28 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.51 1x4t h ASN 58 CO 0.00 0.00 -0.56 -0.78 -2.08 0.00 0.00 177.43 174.01 1x4t h ASP 59 N 0.00 0.55 0.46 6.14 3.58 -1.36 -3.17 116.42 122.61 1x4t h ASP 59 Ca 0.16 -0.30 -0.24 0.00 0.42 0.00 0.00 57.03 57.07 1x4t h ASP 59 Cb 1.38 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1x4t h ASP 59 CO -0.00 1.00 -1.04 -0.33 -2.88 0.00 0.00 179.24 175.98 1x4t h GLU 60 N 0.37 0.34 -0.03 0.28 5.08 0.23 -3.30 114.58 117.54 1x4t h GLU 60 Ca 0.00 -0.43 0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1x4t h GLU 60 Cb 1.10 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1x4t h GLU 60 CO 0.10 1.13 -0.12 0.82 -1.00 0.00 0.00 179.01 179.94 1x4t h ILE 61 N 0.16 0.00 -0.69 3.13 1.08 -1.40 0.98 117.51 120.76 1x4t h ILE 61 Ca -0.10 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.50 1x4t h ILE 61 Cb 1.71 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.33 1x4t h ILE 61 CO 0.17 0.00 -0.30 0.78 -0.69 0.00 0.00 178.15 178.12 1x4t h ASN 62 N -0.13 -1.06 -0.84 1.72 2.35 -1.71 0.67 115.58 116.58 1x4t h ASN 62 Ca 0.01 0.24 0.17 0.00 -0.55 0.00 0.00 56.30 56.16 1x4t h ASN 62 Cb 0.15 0.57 -0.06 0.00 0.05 0.00 0.00 38.32 39.02 1x4t h ASN 62 CO -0.10 -0.29 0.56 0.11 -1.65 0.00 0.00 177.43 176.06 1x4t h LYS 63 N -0.09 0.47 0.02 0.81 1.79 -1.52 0.15 116.57 118.20 1x4t h LYS 63 Ca 0.29 -0.03 -0.23 0.00 -2.18 0.00 0.00 60.65 58.50 1x4t h LYS 63 Cb 0.56 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1x4t h LYS 63 CO -0.75 0.31 -0.97 -0.07 -1.08 0.00 0.00 179.45 176.90 1x4t h LEU 64 N 0.49 0.45 -0.10 2.94 3.38 0.27 -3.26 115.31 119.48 1x4t h LEU 64 Ca 0.43 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1x4t h LEU 64 Cb 0.93 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1x4t h LEU 64 CO -0.17 1.19 -0.06 0.25 0.09 0.00 0.00 178.44 179.75 1x4t h LEU 65 N 0.18 0.22 -1.35 1.67 5.85 0.15 -3.06 115.31 118.98 1x4t h LEU 65 Ca -0.08 -0.43 0.26 0.00 0.84 0.00 0.00 57.88 58.46 1x4t h LEU 65 Cb 1.61 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 42.49 1x4t h LEU 65 CO 0.16 0.61 0.66 0.03 -0.34 0.00 0.00 178.44 179.56 1x4t h ARG 66 N -0.16 0.41 -0.62 1.25 3.08 -0.90 0.35 114.38 117.78 1x4t h ARG 66 Ca 0.02 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1x4t h ARG 66 Cb 0.53 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1x4t h ARG 66 CO 0.02 0.27 0.20 1.49 -1.07 0.00 0.00 179.97 180.88 1x4t h GLU 67 N 0.42 0.93 0.02 0.04 4.57 -1.58 -3.01 114.58 115.98 1x4t h GLU 67 Ca 0.58 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.59 1x4t h GLU 67 Cb 1.43 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1x4t h GLU 67 CO -0.29 0.80 -0.01 -0.22 -1.18 0.00 0.00 179.01 178.10 1x4t h LYS 68 N 0.91 -0.03 -0.59 1.92 3.64 -0.33 -1.72 116.57 120.38 1x4t h LYS 68 Ca 0.21 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.76 1x4t h LYS 68 Cb 0.24 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1x4t h LYS 68 CO -0.01 0.22 0.83 0.78 -2.27 0.00 0.00 179.45 179.00 1x4t h GLY 69 N -0.27 0.00 0.13 5.01 0.00 -1.31 0.87 103.07 107.49 1x4t h GLY 69 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 1x4t h GLY 69 CO 0.01 0.00 -1.87 1.42 0.00 0.00 0.00 176.54 176.10 1x4t n HIS 70 N -3.28 0.71 0.16 5.60 8.25 -1.02 -4.07 115.22 121.56 1x4t n HIS 70 Ca 0.12 0.25 -0.06 0.00 -0.26 0.00 0.00 57.72 57.77 1x4t n HIS 70 Cb 1.03 -1.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.03 1x4t n HIS 70 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1x4t h TRP 71 N -0.68 -0.38 -1.02 4.41 4.06 -0.02 0.76 115.95 123.09 1x4t h TRP 71 Ca -0.48 -0.01 0.29 0.00 2.06 0.00 0.00 58.89 60.76 1x4t h TRP 71 Cb 1.60 0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 29.84 1x4t h TRP 71 CO 0.04 -0.24 1.07 0.93 -3.56 0.00 0.00 178.44 176.68 1x4t h GLU 72 N -0.45 0.00 0.05 0.49 5.08 -1.20 1.20 114.58 119.75 1x4t h GLU 72 Ca -0.04 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.98 1x4t h GLU 72 Cb 0.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1x4t h GLU 72 CO 0.07 0.00 -1.94 0.28 -1.00 0.00 0.00 179.01 176.42 1x4t n VAL 73 N -3.46 1.66 0.26 3.13 0.31 -1.02 -2.74 118.33 116.47 1x4t n VAL 73 Ca 0.22 -0.73 0.13 0.00 -0.01 0.00 0.00 64.34 63.95 1x4t n VAL 73 Cb 1.38 -1.31 0.70 0.00 -0.91 0.00 0.00 33.84 33.70 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 0.03 0.00 -0.28 5.55 9.65 0.81 -2.43 114.38 127.71 1x4t h ARG 74 Ca -0.39 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.37 1x4t h ARG 74 Cb 2.03 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.60 1x4t h ARG 74 CO 0.07 0.13 -0.34 0.82 2.80 0.00 0.00 179.97 183.45 1x4t h ILE 75 N 0.00 1.29 -0.06 1.20 2.04 -1.28 -2.58 117.51 118.13 1x4t h ILE 75 Ca -0.00 -1.47 -0.07 0.00 1.00 0.00 0.00 64.86 64.32 1x4t h ILE 75 Cb 0.38 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1x4t h ILE 75 CO 0.02 0.47 -0.22 0.50 0.00 0.00 0.00 178.15 178.92 1x4t h LYS 76 N 0.52 0.25 0.00 2.37 3.64 -1.49 0.48 116.57 122.35 1x4t h LYS 76 Ca 0.06 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1x4t h LYS 76 Cb 0.83 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1x4t h LYS 76 CO 0.07 0.83 0.00 0.93 -2.27 0.00 0.00 179.45 179.01 1x4t h GLU 77 N -0.28 0.00 0.00 1.90 5.08 -1.50 -0.81 114.58 118.97 1x4t h GLU 77 Ca -0.01 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 1x4t h GLU 77 Cb 0.86 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 1x4t h GLU 77 CO 0.05 0.00 -1.49 1.28 -1.00 0.00 0.00 179.01 177.85 1x4t n LEU 78 N -2.50 0.82 0.00 1.33 4.77 -0.97 -4.96 117.00 115.49 1x4t n LEU 78 Ca -0.01 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1x4t n LEU 78 Cb 0.09 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1x4t n LEU 78 CO 0.15 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1x4t n GLY 79 N 1.42 1.40 0.00 -0.72 0.00 -0.31 -4.87 105.19 102.10 1x4t n GLY 79 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 3.61 3.77 -0.02 0.00 0.17 -4.99 105.19 107.73 1x4t n GLY 80 Ca 0.00 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 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 2.53 3.73 -0.97 1.61 0.04 -1.26 -4.40 135.00 136.28 1x4t s PRO 81 Ca 0.00 1.76 -0.20 0.00 0.04 0.00 0.00 61.00 62.60 1x4t s PRO 81 Cb 0.00 -2.37 0.11 0.00 0.04 0.00 0.00 34.50 32.28 1x4t s PRO 81 CO 0.00 -0.57 1.24 0.34 0.04 0.00 0.00 177.00 178.04 1x4t s ASP 82 N -1.40 6.61 0.04 6.66 -1.08 -1.26 -3.55 116.67 122.70 1x4t s ASP 82 Ca 0.64 -1.92 -0.04 0.00 -0.52 0.00 0.00 52.55 50.71 1x4t s ASP 82 Cb -0.28 -2.45 -0.28 0.00 -1.46 0.00 0.00 42.92 38.45 1x4t s ASP 82 CO 0.34 -1.18 1.01 1.88 0.52 0.00 0.00 175.17 177.75 1x4t h TYR 83 N 9.02 0.50 -0.65 -5.34 0.05 -1.91 -3.24 116.97 115.40 1x4t h TYR 83 Ca 0.18 -0.36 0.07 0.00 0.05 0.00 0.00 58.73 58.67 1x4t h TYR 83 Cb 1.01 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.69 1x4t h TYR 83 CO 1.20 1.33 0.43 0.78 -1.05 0.00 0.00 178.16 180.85 1x4t h GLY 84 N 1.58 0.79 0.35 3.88 0.00 -1.78 -2.74 103.07 105.16 1x4t h GLY 84 Ca -0.19 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 1x4t h GLY 84 CO 0.19 0.18 -0.02 1.70 0.00 0.00 0.00 176.54 178.59 1x4t h LYS 85 N 0.62 -0.06 -0.81 4.80 3.64 -1.90 -3.34 116.57 119.52 1x4t h LYS 85 Ca 0.28 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.74 1x4t h LYS 85 Cb 0.31 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.05 1x4t h LYS 85 CO -0.09 0.54 -0.48 0.28 -2.27 0.00 0.00 179.45 177.43 1x4t n VAL 86 N -4.82 -0.55 -4.36 2.00 0.31 -1.04 -4.37 118.33 105.50 1x4t n VAL 86 Ca -0.09 2.19 -0.24 0.00 -0.01 0.00 0.00 64.34 66.19 1x4t n VAL 86 Cb 0.31 -2.73 -0.17 0.00 -0.91 0.00 0.00 33.84 30.34 1x4t n VAL 86 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1x4t s SER 87 N -5.07 1.72 0.35 4.52 0.15 -1.15 -5.14 113.70 109.08 1x4t s SER 87 Ca -0.10 -0.27 0.07 0.00 0.70 0.00 0.00 55.95 56.36 1x4t s SER 87 Cb 0.09 -0.76 -0.02 0.00 -1.71 0.00 0.00 66.02 63.62 1x4t s SER 87 CO 0.50 -0.02 0.36 -0.83 1.20 0.00 0.00 173.24 174.45 1x4t s GLY 88 N 0.95 1.81 -0.97 9.45 0.00 -1.26 -4.63 107.32 112.67 1x4t s GLY 88 Ca -0.10 -1.65 -0.24 0.00 0.00 0.00 0.00 44.72 42.73 1x4t s GLY 88 CO 0.00 -1.55 1.94 2.56 0.00 0.00 0.00 173.10 176.06 1x4t s PRO 89 N -4.08 2.54 -0.13 2.90 0.04 -1.26 -4.92 135.00 130.09 1x4t s PRO 89 Ca 0.44 -0.49 -0.38 0.00 0.04 0.00 0.00 61.00 60.60 1x4t s PRO 89 Cb -0.06 -5.10 -0.15 0.00 0.04 0.00 0.00 34.50 29.22 1x4t s PRO 89 CO 0.28 -3.51 1.65 0.45 0.04 0.00 0.00 177.00 175.91 1x4t n SER 90 N 14.06 2.37 -4.15 6.66 2.88 -1.26 -0.50 113.62 133.67 1x4t n SER 90 Ca 0.41 1.07 -0.34 0.00 -1.33 0.00 0.00 58.87 58.69 1x4t n SER 90 Cb 0.47 -1.20 -0.02 0.00 -0.75 0.00 0.00 64.21 62.71 1x4t n SER 90 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x4t n SER 91 N 4.68 -2.88 0.00 -3.46 2.88 -1.26 -5.29 113.62 108.30 1x4t n SER 91 Ca 0.23 -0.99 0.00 0.00 -1.33 0.00 0.00 58.87 56.78 1x4t n SER 91 Cb 0.18 -2.91 0.00 0.00 -0.75 0.00 0.00 64.21 60.73 1x4t n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42