#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 -0.80 0.37 1.61 0.15 -1.26 -5.18 113.70 108.60 1x4t s SER 2 Ca 0.00 0.69 0.08 0.00 0.70 0.00 0.00 55.95 57.42 1x4t s SER 2 Cb 0.00 1.75 -0.04 0.00 -1.71 0.00 0.00 66.02 66.02 1x4t s SER 2 CO 0.00 -0.15 0.20 -0.44 1.20 0.00 0.00 173.24 174.05 1x4t s SER 3 N 2.78 4.69 0.00 5.45 0.01 -1.26 -5.11 113.70 120.27 1x4t s SER 3 Ca 0.04 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.46 1x4t s SER 3 Cb -0.11 -0.65 0.00 0.00 0.21 0.00 0.00 66.02 65.48 1x4t s SER 3 CO -0.16 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.68 1x4t n GLY 4 N -1.25 -0.98 2.91 3.44 0.00 -1.26 -5.17 105.19 102.89 1x4t n GLY 4 Ca -0.01 0.88 -0.13 0.00 0.00 0.00 0.00 46.02 46.76 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 0.00 0.22 0.06 1.61 1.04 -1.26 -5.16 113.70 110.21 1x4t s SER 5 Ca 0.00 -0.10 0.07 0.00 0.48 0.00 0.00 55.95 56.39 1x4t s SER 5 Cb 0.00 -0.00 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 1x4t s SER 5 CO 0.00 -0.03 -0.18 -0.44 0.98 0.00 0.00 173.24 173.57 1x4t s SER 6 N -0.26 2.19 0.00 7.02 0.01 -1.26 -5.08 113.70 116.32 1x4t s SER 6 Ca -0.02 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.69 1x4t s SER 6 Cb -0.02 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1x4t s SER 6 CO -0.00 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.34 1x4t n GLY 7 N 1.64 -1.77 3.46 3.44 0.00 -1.26 -5.04 105.19 105.65 1x4t n GLY 7 Ca -0.18 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 43.94 1x4t n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x4t s LYS 8 N 0.00 1.20 -0.27 1.61 2.20 -1.26 -5.14 119.74 118.07 1x4t s LYS 8 Ca 0.00 -0.21 -0.01 0.00 -0.36 0.00 0.00 55.97 55.39 1x4t s LYS 8 Cb 0.00 0.56 0.09 0.00 -1.51 0.00 0.00 37.83 36.96 1x4t s LYS 8 CO 0.00 -0.48 0.07 0.08 -0.36 0.00 0.00 175.35 174.67 1x4t s VAL 9 N -2.82 0.75 1.02 4.02 1.01 -1.26 -5.13 120.40 117.99 1x4t s VAL 9 Ca -0.03 -1.11 -0.22 0.00 0.00 0.00 0.00 61.98 60.62 1x4t s VAL 9 Cb -0.01 -1.45 -0.09 0.00 0.00 0.00 0.00 36.38 34.83 1x4t s VAL 9 CO -0.05 -0.52 -0.81 2.29 0.00 0.00 0.00 175.10 176.01 1x4t n LYS 10 N 4.92 -0.40 -3.59 2.72 2.85 -1.26 -5.03 118.16 118.37 1x4t n LYS 10 Ca -0.05 -0.11 -0.12 0.00 -1.05 0.00 0.00 58.31 56.98 1x4t n LYS 10 Cb 0.44 -1.26 -0.06 0.00 -0.65 0.00 0.00 35.03 33.50 1x4t n LYS 10 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1x4t s GLU 11 N -2.51 0.67 0.04 -1.58 2.56 -1.26 -5.16 118.70 111.47 1x4t s GLU 11 Ca 0.44 0.38 -0.22 0.00 0.00 0.00 0.00 54.97 55.57 1x4t s GLU 11 Cb -0.04 0.32 -0.06 0.00 2.00 0.00 0.00 34.13 36.35 1x4t s GLU 11 CO 0.70 -0.16 0.67 0.50 -0.56 0.00 0.00 175.26 176.41 1x4t s ARG 12 N -0.57 4.39 0.38 4.30 6.06 -1.26 -5.03 118.95 127.22 1x4t s ARG 12 Ca -0.02 0.90 -0.28 0.00 -2.50 0.00 0.00 55.73 53.83 1x4t s ARG 12 Cb -0.02 -3.32 -0.11 0.00 0.06 0.00 0.00 34.95 31.56 1x4t s ARG 12 CO 0.01 0.40 1.49 0.50 -2.50 0.00 0.00 175.30 175.20 1x4t s ARG 13 N -0.40 4.07 0.00 5.12 3.52 -1.26 -5.01 118.95 125.00 1x4t s ARG 13 Ca 0.34 2.58 0.00 0.00 -0.13 0.00 0.00 55.73 58.52 1x4t s ARG 13 Cb -0.20 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 1x4t s ARG 13 CO 0.20 -0.56 0.00 -0.35 -0.81 0.00 0.00 175.30 173.78 1x4t n PRO 14 N 0.40 0.27 0.00 5.12 -0.04 -1.26 -5.04 135.00 134.45 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 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 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 -1.23 0.00 -3.50 0.54 7.35 -1.26 -4.97 117.46 114.39 1x4t n PHE 15 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 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 -3.06 5.84 0.60 -2.13 1.43 -1.26 -4.93 118.68 115.17 1x4t s LEU 16 Ca 0.00 -1.96 0.29 0.00 -1.03 0.00 0.00 54.13 51.43 1x4t s LEU 16 Cb 0.00 -2.06 1.27 0.00 0.03 0.00 0.00 46.19 45.43 1x4t s LEU 16 CO 0.00 -0.72 1.66 0.00 0.23 0.00 0.00 176.35 177.52 1x4t h ALA 17 N 8.47 2.53 -0.04 4.21 0.00 -1.93 0.41 119.26 132.90 1x4t h ALA 17 Ca -0.21 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1x4t h ALA 17 Cb 1.07 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1x4t h ALA 17 CO 0.89 -1.17 -0.56 0.66 0.00 0.00 0.00 179.25 179.07 1x4t h SER 18 N 0.00 0.57 -1.00 0.00 4.64 -1.96 -3.24 113.55 112.56 1x4t h SER 18 Ca 0.34 -0.71 0.22 0.00 -0.47 0.00 0.00 61.79 61.17 1x4t h SER 18 Cb 1.94 -0.17 -0.11 0.00 -0.31 0.00 0.00 62.40 63.75 1x4t h SER 18 CO -0.00 1.20 0.62 -0.33 -0.87 0.00 0.00 176.83 177.44 1x4t h GLU 19 N -0.01 0.59 -6.02 4.77 4.39 -0.59 -3.31 114.58 114.40 1x4t h GLU 19 Ca -0.06 -0.04 -0.60 0.00 0.34 0.00 0.00 59.36 59.01 1x4t h GLU 19 Cb 1.25 -0.13 -0.11 0.00 -0.10 0.00 0.00 28.75 29.66 1x4t h GLU 19 CO 0.11 0.39 1.32 0.00 -1.16 0.00 0.00 179.01 179.67 1x4t n THR 21 N 6.62 1.00 -3.87 0.00 -2.24 -1.25 -4.78 114.28 109.76 1x4t n THR 21 Ca 0.25 -0.31 -0.35 0.00 -2.27 0.00 0.00 64.05 61.37 1x4t n THR 21 Cb 0.50 -0.70 -0.13 0.00 -2.10 0.00 0.00 70.33 67.90 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 -0.94 3.48 0.03 -0.78 0.41 -1.26 -5.00 118.70 114.64 1x4t s GLU 22 Ca 0.10 -0.57 -0.25 0.00 -0.41 0.00 0.00 54.97 53.85 1x4t s GLU 22 Cb 0.08 -3.11 -0.18 0.00 -1.78 0.00 0.00 34.13 29.14 1x4t s GLU 22 CO 0.02 -0.18 1.49 1.25 -0.49 0.00 0.00 175.26 177.35 1x4t h LEU 23 N 8.12 -0.01 0.00 1.80 5.85 -1.93 -1.55 115.31 127.59 1x4t h LEU 23 Ca -0.40 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.07 1x4t h LEU 23 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1x4t h LEU 23 CO 0.60 0.25 0.00 -0.81 -0.34 0.00 0.00 178.44 178.14 1x4t n PRO 24 N -4.97 0.03 -0.05 5.25 -0.04 -1.26 -2.61 135.00 131.35 1x4t n PRO 24 Ca -0.08 0.24 -0.14 0.00 -0.04 0.00 0.00 63.50 63.48 1x4t n PRO 24 Cb 0.15 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.97 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 -1.46 0.68 0.24 0.54 4.76 -1.03 -3.82 118.16 118.07 1x4t n LYS 25 Ca 0.04 0.19 0.15 0.00 -2.87 0.00 0.00 58.31 55.82 1x4t n LYS 25 Cb 0.16 -1.66 0.54 0.00 -1.84 0.00 0.00 35.03 32.23 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 0.56 1.00 0.16 7.82 0.00 -1.03 -2.99 119.26 124.77 1x4t h ALA 26 Ca -0.44 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.16 1x4t h ALA 26 Cb 2.05 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.85 1x4t h ALA 26 CO 0.04 0.00 -1.47 0.93 0.00 0.00 0.00 179.25 178.75 1x4t h GLU 27 N 0.00 0.33 -0.08 0.00 5.08 -1.69 -3.02 114.58 115.20 1x4t h GLU 27 Ca 0.00 -0.57 -0.09 0.00 -1.00 0.00 0.00 59.36 57.70 1x4t h GLU 27 Cb 0.61 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1x4t h GLU 27 CO 0.00 1.24 -0.36 1.57 -1.00 0.00 0.00 179.01 180.45 1x4t h LYS 28 N 0.09 0.17 0.00 2.33 2.10 -1.63 -2.85 116.57 116.78 1x4t h LYS 28 Ca -0.23 -0.07 -0.22 0.00 -2.00 0.00 0.00 60.65 58.14 1x4t h LYS 28 Cb 2.05 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 33.37 1x4t h LYS 28 CO 0.20 0.51 -0.92 -1.49 -2.00 0.00 0.00 179.45 175.76 1x4t h TRP 29 N 0.15 0.51 0.77 0.07 -0.00 -1.62 -3.15 115.95 112.68 1x4t h TRP 29 Ca 0.02 -0.28 -0.04 0.00 -0.00 0.00 0.00 58.89 58.59 1x4t h TRP 29 Cb 0.71 -0.06 0.01 0.00 -0.00 0.00 0.00 29.16 29.82 1x4t h TRP 29 CO 0.01 1.09 -0.37 -0.09 -0.00 0.00 0.00 178.44 179.08 1x4t h ARG 30 N 0.19 -1.00 -0.78 0.49 2.43 -1.37 -2.40 114.38 111.94 1x4t h ARG 30 Ca -0.07 0.07 0.20 0.00 -0.81 0.00 0.00 59.98 59.37 1x4t h ARG 30 Cb 1.55 0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 31.28 1x4t h ARG 30 CO 0.15 -0.65 0.54 0.07 -1.51 0.00 0.00 179.97 178.57 1x4t h ARG 31 N -1.09 0.17 -0.63 0.20 0.11 -1.62 0.96 114.38 112.48 1x4t h ARG 31 Ca -0.11 -0.01 -0.09 0.00 0.10 0.00 0.00 59.98 59.87 1x4t h ARG 31 Cb 0.80 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.82 1x4t h ARG 31 CO 0.17 0.11 0.03 0.37 0.10 0.00 0.00 179.97 180.76 1x4t h GLN 32 N 0.18 1.09 -0.04 0.08 -0.00 -1.43 -2.72 115.11 112.27 1x4t h GLN 32 Ca 0.39 -0.33 -0.01 0.00 -0.00 0.00 0.00 58.65 58.70 1x4t h GLN 32 Cb 1.25 -0.11 -0.00 0.00 0.00 0.00 0.00 27.48 28.62 1x4t h GLN 32 CO -0.07 1.04 -0.02 0.82 0.00 0.00 0.00 178.83 180.60 1x4t h ILE 33 N 1.00 1.33 -0.93 2.39 2.04 -0.35 -3.09 117.51 119.90 1x4t h ILE 33 Ca 0.18 -1.01 0.18 0.00 1.00 0.00 0.00 64.86 65.22 1x4t h ILE 33 Cb 0.52 1.92 -0.11 0.00 -0.74 0.00 0.00 36.82 38.42 1x4t h ILE 33 CO 0.03 0.27 0.51 0.40 0.00 0.00 0.00 178.15 179.35 1x4t h ILE 34 N -0.31 0.66 -0.56 -0.67 2.04 -1.35 0.94 117.51 118.26 1x4t h ILE 34 Ca 0.01 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1x4t h ILE 34 Cb 0.45 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1x4t h ILE 34 CO 0.01 0.12 0.26 1.23 0.00 0.00 0.00 178.15 179.76 1x4t h GLY 35 N 0.64 0.84 1.03 5.37 0.00 -1.43 -2.54 103.07 106.98 1x4t h GLY 35 Ca 0.54 -0.39 -0.15 0.00 0.00 0.00 0.00 47.33 47.32 1x4t h GLY 35 CO -0.41 0.38 -0.42 0.83 0.00 0.00 0.00 176.54 176.92 1x4t h GLU 36 N 0.79 0.75 -0.43 4.80 5.08 -0.77 -2.66 114.58 122.14 1x4t h GLU 36 Ca 0.19 -0.46 0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1x4t h GLU 36 Cb 0.10 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1x4t h GLU 36 CO -0.02 1.08 0.17 0.82 -1.00 0.00 0.00 179.01 180.05 1x4t h ILE 37 N 0.49 0.89 0.62 3.13 2.04 -0.99 -2.63 117.51 121.07 1x4t h ILE 37 Ca 0.02 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1x4t h ILE 37 Cb 1.02 0.52 0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1x4t h ILE 37 CO 0.10 0.06 -0.30 -1.28 0.00 0.00 0.00 178.15 176.73 1x4t h SER 38 N 0.34 -0.70 -1.40 1.72 0.87 -1.48 -0.06 113.55 112.85 1x4t h SER 38 Ca 0.20 0.02 0.45 0.00 -1.23 0.00 0.00 61.79 61.23 1x4t h SER 38 Cb 0.17 0.18 -0.11 0.00 -0.44 0.00 0.00 62.40 62.20 1x4t h SER 38 CO -0.19 -0.45 0.94 0.29 -0.53 0.00 0.00 176.83 176.89 1x4t n LYS 39 N -4.48 -0.02 0.03 2.24 4.76 -1.01 0.16 118.16 119.85 1x4t n LYS 39 Ca -0.10 1.07 -0.21 0.00 -2.87 0.00 0.00 58.31 56.20 1x4t n LYS 39 Cb 0.33 -2.21 -0.14 0.00 -1.84 0.00 0.00 35.03 31.16 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 0.28 -0.93 1.97 1.57 -1.22 -3.33 116.57 114.91 1x4t h LYS 40 Ca 0.80 -0.48 0.18 0.00 -1.87 0.00 0.00 60.65 59.29 1x4t h LYS 40 Cb 2.80 0.18 -0.11 0.00 0.08 0.00 0.00 32.23 35.18 1x4t h LYS 40 CO -0.29 1.23 0.51 0.28 -0.57 0.00 0.00 179.45 180.61 1x4t h VAL 41 N -0.35 0.68 0.23 0.50 2.07 0.35 -1.80 116.25 117.92 1x4t h VAL 41 Ca -0.20 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.10 1x4t h VAL 41 Cb 1.68 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1x4t h VAL 41 CO 0.11 0.12 -0.30 0.00 0.02 0.00 0.00 177.57 177.53 1x4t h ALA 42 N 1.62 -0.58 -0.96 1.67 0.00 -1.37 0.12 119.26 119.76 1x4t h ALA 42 Ca 0.53 -0.08 0.24 0.00 0.00 0.00 0.00 54.91 55.61 1x4t h ALA 42 Cb 0.84 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1x4t h ALA 42 CO -0.40 -0.87 0.65 1.96 0.00 0.00 0.00 179.25 180.59 1x4t h GLN 43 N -0.58 0.25 -0.00 0.00 4.20 -1.45 -0.54 115.11 116.99 1x4t h GLN 43 Ca 0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1x4t h GLN 43 Cb 0.56 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1x4t h GLN 43 CO -0.11 0.17 -0.03 0.82 -0.67 0.00 0.00 178.83 179.01 1x4t h ILE 44 N 0.26 1.63 -0.52 2.54 1.08 -0.97 -3.23 117.51 118.31 1x4t h ILE 44 Ca 0.49 -1.88 0.13 0.00 -0.39 0.00 0.00 64.86 63.22 1x4t h ILE 44 Cb 1.48 2.89 -0.02 0.00 -3.07 0.00 0.00 36.82 38.10 1x4t h ILE 44 CO -0.15 0.49 0.36 1.56 -0.69 0.00 0.00 178.15 179.73 1x4t h GLN 45 N -0.76 0.08 -0.29 2.37 1.08 0.42 0.45 115.11 118.46 1x4t h GLN 45 Ca -0.00 -0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.10 1x4t h GLN 45 Cb 0.82 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.22 1x4t h GLN 45 CO 0.01 0.06 -0.21 -0.91 -0.95 0.00 0.00 178.83 176.82 1x4t h ASN 46 N 0.09 0.54 -6.59 1.46 2.35 -1.18 -3.47 115.58 108.78 1x4t h ASN 46 Ca 0.25 -0.17 -0.52 0.00 -0.55 0.00 0.00 56.30 55.30 1x4t h ASN 46 Cb 0.86 -0.15 -0.10 0.00 0.05 0.00 0.00 38.32 38.98 1x4t h ASN 46 CO -0.02 0.76 -0.88 0.00 -1.65 0.00 0.00 177.43 175.64 1x4t n ALA 47 N -2.49 -1.82 -2.60 -0.83 0.00 0.15 -4.86 120.51 108.07 1x4t n ALA 47 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 53.44 53.25 1x4t n ALA 47 Cb 0.39 -1.98 0.03 0.00 0.00 0.00 0.00 19.45 17.89 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 -1.88 1.31 0.00 0.00 0.00 -1.26 -4.83 105.19 98.53 1x4t n GLY 48 Ca -0.21 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.07 0.00 0.00 0.99 4.77 -1.26 -5.12 117.00 116.30 1x4t n LEU 49 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1x4t n LEU 49 Cb 0.97 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 1x4t n LEU 49 CO -0.01 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1x4t n GLY 50 N 2.53 3.22 0.28 -0.72 0.00 -1.26 -4.61 105.19 104.63 1x4t n GLY 50 Ca 0.00 -1.38 -0.02 0.00 0.00 0.00 0.00 46.02 44.62 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 0.88 -0.19 -0.30 1.61 1.02 -1.26 0.16 120.64 122.56 1x4t n GLU 51 Ca 0.00 1.11 0.11 0.00 -0.02 0.00 0.00 57.16 58.36 1x4t n GLU 51 Cb 0.00 -1.65 0.24 0.00 -0.02 0.00 0.00 31.44 30.01 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 0.01 0.30 -0.32 -1.00 -2.00 0.10 116.94 114.03 1x4t h PHE 52 Ca 0.23 0.06 -0.01 0.00 2.81 0.00 0.00 57.97 61.06 1x4t h PHE 52 Cb 0.42 0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.12 1x4t h PHE 52 CO -0.65 -0.32 -0.14 0.00 -1.61 0.00 0.00 178.31 175.59 1x4t h ARG 53 N 0.08 -0.38 -1.04 1.51 2.47 0.13 -2.40 114.38 114.74 1x4t h ARG 53 Ca 0.52 0.03 0.35 0.00 -1.26 0.00 0.00 59.98 59.62 1x4t h ARG 53 Cb 1.01 0.09 -0.15 0.00 -1.65 0.00 0.00 29.97 29.27 1x4t h ARG 53 CO -0.78 -0.07 0.60 0.82 0.56 0.00 0.00 179.97 181.10 1x4t h ILE 54 N -0.95 0.23 -0.05 2.04 5.03 -0.13 0.31 117.51 123.98 1x4t h ILE 54 Ca -0.04 -0.08 -0.04 0.00 -0.12 0.00 0.00 64.86 64.58 1x4t h ILE 54 Cb 0.50 -0.03 0.00 0.00 -3.03 0.00 0.00 36.82 34.26 1x4t h ILE 54 CO 0.07 0.04 -0.11 0.03 -0.68 0.00 0.00 178.15 177.50 1x4t h ARG 55 N 0.24 0.17 -0.34 2.37 2.47 -0.85 -1.81 114.38 116.62 1x4t h ARG 55 Ca 0.76 -0.11 0.03 0.00 -1.26 0.00 0.00 59.98 59.40 1x4t h ARG 55 Cb 1.88 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 30.20 1x4t h ARG 55 CO -0.60 0.69 0.23 -0.44 0.56 0.00 0.00 179.97 180.41 1x4t h ASP 56 N -0.34 0.29 0.19 7.04 3.32 -0.02 -0.24 116.42 126.67 1x4t h ASP 56 Ca 0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1x4t h ASP 56 Cb 0.69 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1x4t h ASP 56 CO 0.02 0.20 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.59 1x4t h LEU 57 N 0.34 -0.22 -1.99 1.55 3.38 -0.63 -3.21 115.31 114.54 1x4t h LEU 57 Ca 0.14 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1x4t h LEU 57 Cb 0.13 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1x4t h LEU 57 CO -0.03 0.07 0.37 -0.55 0.09 0.00 0.00 178.44 178.38 1x4t h ASN 58 N -0.69 0.00 -0.53 -0.43 7.08 -1.27 0.13 115.58 119.87 1x4t h ASN 58 Ca -0.03 0.00 -0.12 0.00 -3.08 0.00 0.00 56.30 53.07 1x4t h ASN 58 Cb 0.19 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.42 1x4t h ASN 58 CO 0.04 0.00 -0.15 -0.78 -2.08 0.00 0.00 177.43 174.47 1x4t h ASP 59 N 0.00 1.04 0.49 6.14 3.58 -1.07 -3.13 116.42 123.48 1x4t h ASP 59 Ca 0.07 -0.37 -0.25 0.00 0.42 0.00 0.00 57.03 56.90 1x4t h ASP 59 Cb 0.80 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1x4t h ASP 59 CO -0.00 1.17 -1.10 -0.33 -2.88 0.00 0.00 179.24 176.10 1x4t h GLU 60 N 0.90 0.33 -0.49 0.28 4.39 -0.76 -3.33 114.58 115.90 1x4t h GLU 60 Ca 0.13 -0.46 0.05 0.00 0.34 0.00 0.00 59.36 59.42 1x4t h GLU 60 Cb 0.72 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 29.46 1x4t h GLU 60 CO 0.06 1.16 -0.38 0.82 -1.16 0.00 0.00 179.01 179.51 1x4t h ILE 61 N 0.14 0.00 -0.41 3.13 1.08 -1.36 0.10 117.51 120.20 1x4t h ILE 61 Ca -0.11 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.45 1x4t h ILE 61 Cb 1.79 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 35.45 1x4t h ILE 61 CO 0.19 0.00 -0.20 0.78 -0.69 0.00 0.00 178.15 178.23 1x4t h ASN 62 N -0.11 -0.68 -0.98 1.72 2.35 -1.70 0.13 115.58 116.31 1x4t h ASN 62 Ca 0.08 0.16 0.21 0.00 -0.55 0.00 0.00 56.30 56.19 1x4t h ASN 62 Cb 0.32 0.37 -0.09 0.00 0.05 0.00 0.00 38.32 38.96 1x4t h ASN 62 CO -0.52 -0.23 0.62 0.11 -1.65 0.00 0.00 177.43 175.76 1x4t h LYS 63 N -0.12 0.58 -0.07 0.81 1.79 -1.25 0.11 116.57 118.43 1x4t h LYS 63 Ca 0.20 -0.03 -0.22 0.00 -2.18 0.00 0.00 60.65 58.41 1x4t h LYS 63 Cb 0.43 -0.13 0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1x4t h LYS 63 CO -0.49 0.38 -0.85 -0.07 -1.08 0.00 0.00 179.45 177.34 1x4t h LEU 64 N 0.59 0.71 -0.22 2.94 3.38 0.15 -3.25 115.31 119.61 1x4t h LEU 64 Ca 0.55 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1x4t h LEU 64 Cb 1.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1x4t h LEU 64 CO -0.30 1.29 0.10 0.25 0.09 0.00 0.00 178.44 179.86 1x4t h LEU 65 N 0.36 0.30 -0.45 1.67 5.85 0.15 -3.06 115.31 120.13 1x4t h LEU 65 Ca -0.07 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.60 1x4t h LEU 65 Cb 1.47 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.33 1x4t h LEU 65 CO 0.16 0.36 -0.26 0.03 -0.34 0.00 0.00 178.44 178.39 1x4t h ARG 66 N 0.22 -0.17 -0.85 1.25 3.08 -1.09 0.29 114.38 117.12 1x4t h ARG 66 Ca 0.07 0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.35 1x4t h ARG 66 Cb 0.15 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 1x4t h ARG 66 CO -0.01 -0.11 0.58 1.49 -1.07 0.00 0.00 179.97 180.85 1x4t h GLU 67 N -0.17 0.21 -0.24 0.04 4.57 -1.57 -0.08 114.58 117.33 1x4t h GLU 67 Ca 0.20 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.30 1x4t h GLU 67 Cb 0.50 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1x4t h GLU 67 CO -0.55 0.14 -0.13 -0.22 -1.18 0.00 0.00 179.01 177.07 1x4t h LYS 68 N 0.21 0.51 -0.35 1.92 3.64 -0.36 -1.58 116.57 120.57 1x4t h LYS 68 Ca 0.42 -0.23 0.10 0.00 -1.27 0.00 0.00 60.65 59.67 1x4t h LYS 68 Cb 1.32 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 1x4t h LYS 68 CO -0.09 0.79 0.40 0.78 -2.27 0.00 0.00 179.45 179.06 1x4t h GLY 69 N 0.23 0.00 0.50 5.01 0.00 -0.33 0.88 103.07 109.37 1x4t h GLY 69 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.02 1x4t h GLY 69 CO 0.04 0.00 -2.08 1.42 0.00 0.00 0.00 176.54 175.91 1x4t n HIS 70 N -3.65 0.93 0.02 5.60 8.25 -1.10 -4.01 115.22 121.26 1x4t n HIS 70 Ca 0.06 0.21 -0.01 0.00 -0.26 0.00 0.00 57.72 57.72 1x4t n HIS 70 Cb 0.56 -1.13 -0.00 0.00 1.12 0.00 0.00 29.99 30.54 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 0.05 -0.04 -1.71 4.41 4.06 -0.18 0.38 115.95 122.92 1x4t h TRP 71 Ca -0.45 -0.00 0.53 0.00 2.06 0.00 0.00 58.89 61.03 1x4t h TRP 71 Cb 2.01 0.01 -0.11 0.00 -1.00 0.00 0.00 29.16 30.08 1x4t h TRP 71 CO 0.06 -0.02 1.18 0.93 -3.56 0.00 0.00 178.44 177.02 1x4t h GLU 72 N -0.08 0.00 0.14 0.49 5.08 -1.14 1.28 114.58 120.36 1x4t h GLU 72 Ca -0.00 -0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.02 1x4t h GLU 72 Cb 0.03 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1x4t h GLU 72 CO 0.01 0.00 -1.69 0.28 -1.00 0.00 0.00 179.01 176.61 1x4t h VAL 73 N 0.01 0.98 0.00 3.13 2.07 -1.69 -3.17 116.25 117.57 1x4t h VAL 73 Ca 0.91 -2.61 -0.01 0.00 0.82 0.00 0.00 66.70 65.81 1x4t h VAL 73 Cb 3.34 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 35.83 1x4t h VAL 73 CO -0.22 0.83 -0.06 -0.09 0.02 0.00 0.00 177.57 178.05 1x4t h ARG 74 N 0.08 0.00 -0.31 1.57 9.65 0.60 -1.62 114.38 124.35 1x4t h ARG 74 Ca -0.31 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.47 1x4t h ARG 74 Cb 2.06 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.62 1x4t h ARG 74 CO 0.16 0.06 -0.21 0.82 2.80 0.00 0.00 179.97 183.59 1x4t h ILE 75 N 0.00 1.26 0.01 1.20 2.04 -1.15 -2.77 117.51 118.10 1x4t h ILE 75 Ca -0.00 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 1x4t h ILE 75 Cb 0.13 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1x4t h ILE 75 CO 0.01 0.41 -0.05 0.50 0.00 0.00 0.00 178.15 179.02 1x4t h LYS 76 N 0.53 0.02 0.00 2.37 3.64 -1.30 0.26 116.57 122.08 1x4t h LYS 76 Ca 0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1x4t h LYS 76 Cb 0.65 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1x4t h LYS 76 CO 0.05 0.93 0.30 0.93 -2.27 0.00 0.00 179.45 179.39 1x4t h GLU 77 N -0.87 0.00 0.00 1.90 5.08 -1.38 0.58 114.58 119.89 1x4t h GLU 77 Ca -0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1x4t h GLU 77 Cb 0.95 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1x4t h GLU 77 CO 0.01 0.00 -1.25 -0.07 -1.00 0.00 0.00 179.01 176.70 1x4t h LEU 78 N 0.00 0.00 0.00 1.33 3.38 -1.51 -3.48 115.31 115.04 1x4t h LEU 78 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x4t h LEU 78 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1x4t h LEU 78 CO 0.00 0.42 0.00 0.61 0.09 0.00 0.00 178.44 179.56 1x4t n GLY 79 N 1.33 0.90 0.00 0.83 0.00 0.20 -4.96 105.19 103.49 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 3.68 3.77 -0.02 0.00 0.89 -4.97 105.19 108.54 1x4t n GLY 80 Ca 0.00 -2.06 -0.32 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 1.66 2.61 -0.80 1.61 0.04 -1.26 -4.33 135.00 134.53 1x4t s PRO 81 Ca 0.00 1.32 -0.18 0.00 0.04 0.00 0.00 61.00 62.18 1x4t s PRO 81 Cb 0.00 -1.93 0.14 0.00 0.04 0.00 0.00 34.50 32.74 1x4t s PRO 81 CO 0.00 -1.38 0.94 0.34 0.04 0.00 0.00 177.00 176.93 1x4t s ASP 82 N -2.85 6.50 -0.10 6.66 2.15 -1.26 -3.25 116.67 124.52 1x4t s ASP 82 Ca 0.65 -1.91 -0.13 0.00 0.43 0.00 0.00 52.55 51.59 1x4t s ASP 82 Cb -0.19 -2.34 -0.27 0.00 -0.30 0.00 0.00 42.92 39.81 1x4t s ASP 82 CO 0.46 -1.02 0.53 1.88 -0.17 0.00 0.00 175.17 176.85 1x4t h TYR 83 N 8.79 0.49 -0.72 -5.34 0.05 -1.92 -3.34 116.97 114.98 1x4t h TYR 83 Ca -0.01 -0.36 0.21 0.00 0.05 0.00 0.00 58.73 58.62 1x4t h TYR 83 Cb 1.05 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.74 1x4t h TYR 83 CO 1.04 1.63 0.56 0.78 -1.05 0.00 0.00 178.16 181.12 1x4t h GLY 84 N 0.34 0.00 -0.92 3.88 0.00 -1.87 -2.35 103.07 102.15 1x4t h GLY 84 Ca -0.34 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.18 1x4t h GLY 84 CO 0.08 0.00 -0.20 1.17 0.00 0.00 0.00 176.54 177.59 1x4t n LYS 85 N -4.14 -0.08 -0.92 4.80 4.81 -1.25 -4.58 118.16 116.78 1x4t n LYS 85 Ca 0.15 1.43 -0.30 0.00 -0.87 0.00 0.00 58.31 58.71 1x4t n LYS 85 Cb 0.83 -2.15 -0.01 0.00 0.02 0.00 0.00 35.03 33.73 1x4t n LYS 85 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1x4t n VAL 86 N -5.48 0.62 -3.61 3.15 0.24 -0.89 -4.98 118.33 107.39 1x4t n VAL 86 Ca 0.16 -0.35 -0.11 0.00 -2.04 0.00 0.00 64.34 61.99 1x4t n VAL 86 Cb 0.49 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.80 1x4t n VAL 86 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1x4t s SER 87 N -0.70 -0.50 0.35 -1.34 0.01 -1.26 -5.14 113.70 105.11 1x4t s SER 87 Ca 0.42 0.82 -0.17 0.00 1.31 0.00 0.00 55.95 58.33 1x4t s SER 87 Cb -0.48 0.78 0.05 0.00 0.21 0.00 0.00 66.02 66.57 1x4t s SER 87 CO 0.43 -0.28 0.79 -0.83 0.41 0.00 0.00 173.24 173.77 1x4t s GLY 88 N -0.29 0.24 -0.44 3.44 0.00 -1.26 -5.11 107.32 103.90 1x4t s GLY 88 Ca -0.00 -0.61 -0.28 0.00 0.00 0.00 0.00 44.72 43.82 1x4t s GLY 88 CO -0.01 -0.12 1.75 2.56 0.00 0.00 0.00 173.10 177.29 1x4t s PRO 89 N -2.68 3.15 -0.07 2.90 0.04 -1.26 -4.87 135.00 132.20 1x4t s PRO 89 Ca 0.15 1.07 -0.25 0.00 0.04 0.00 0.00 61.00 62.01 1x4t s PRO 89 Cb -0.05 -4.23 -0.27 0.00 0.04 0.00 0.00 34.50 29.99 1x4t s PRO 89 CO 0.10 -2.09 0.92 0.77 0.04 0.00 0.00 177.00 176.74 1x4t h SER 90 N 13.16 0.25 0.05 6.66 0.02 -2.07 -3.37 113.55 128.26 1x4t h SER 90 Ca -0.30 -0.89 -0.14 0.00 -0.84 0.00 0.00 61.79 59.62 1x4t h SER 90 Cb 1.16 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 1x4t h SER 90 CO 1.10 1.12 -0.73 0.28 -1.14 0.00 0.00 176.83 177.46 1x4t h SER 91 N -0.58 0.15 0.00 3.07 0.02 -2.09 -3.57 113.55 110.56 1x4t h SER 91 Ca -0.06 -0.84 0.00 0.00 -0.84 0.00 0.00 61.79 60.05 1x4t h SER 91 Cb 1.21 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1x4t h SER 91 CO 0.07 1.31 0.00 0.61 -1.14 0.00 0.00 176.83 177.68