#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2i s LEU 3 N 0.00 4.37 0.66 0.00 1.43 -1.26 -5.00 118.68 118.88 1x2i s LEU 3 Ca 0.00 2.80 -0.10 0.00 -1.03 0.00 0.00 54.13 55.80 1x2i s LEU 3 Cb 0.00 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.61 1x2i s LEU 3 CO 0.00 -0.91 1.04 0.42 0.23 0.00 0.00 176.35 177.13 1x2i s THR 4 N 0.95 3.86 0.16 5.49 -4.23 -1.26 -4.85 115.64 115.77 1x2i s THR 4 Ca 0.71 0.49 -0.15 0.00 -1.18 0.00 0.00 61.69 61.56 1x2i s THR 4 Cb -0.48 -3.58 0.04 0.00 1.34 0.00 0.00 72.50 69.82 1x2i s THR 4 CO 0.35 -0.74 1.75 0.25 -0.54 0.00 0.00 174.62 175.69 1x2i h LEU 5 N -0.47 0.16 -0.90 4.79 5.85 -1.99 -0.55 115.31 122.20 1x2i h LEU 5 Ca -0.45 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.34 1x2i h LEU 5 Cb 1.24 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.24 1x2i h LEU 5 CO 0.63 0.12 0.59 0.00 -0.34 0.00 0.00 178.44 179.44 1x2i h ALA 6 N 1.26 1.18 -0.51 1.25 0.00 -1.99 0.57 119.26 121.02 1x2i h ALA 6 Ca 0.18 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1x2i h ALA 6 Cb 0.17 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1x2i h ALA 6 CO -0.19 0.47 0.05 0.93 0.00 0.00 0.00 179.25 180.51 1x2i h GLU 7 N 1.15 0.86 -0.65 0.00 5.08 -1.76 -1.52 114.58 117.75 1x2i h GLU 7 Ca 0.35 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1x2i h GLU 7 Cb -0.03 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1x2i h GLU 7 CO -0.11 0.87 0.11 -0.09 -1.00 0.00 0.00 179.01 178.79 1x2i h ARG 8 N 0.73 1.08 -0.37 2.33 2.43 -0.52 -0.42 114.38 119.64 1x2i h ARG 8 Ca 0.15 -0.29 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1x2i h ARG 8 Cb 0.45 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1x2i h ARG 8 CO 0.02 0.99 0.23 1.96 -1.51 0.00 0.00 179.97 181.66 1x2i h GLN 9 N 0.99 0.50 -0.53 0.20 4.20 -0.74 -1.86 115.11 117.87 1x2i h GLN 9 Ca 0.20 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1x2i h GLN 9 Cb 0.44 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1x2i h GLN 9 CO 0.01 0.37 0.21 0.00 -0.67 0.00 0.00 178.83 178.75 1x2i h ARG 10 N 0.50 0.80 -0.32 1.46 3.08 -0.99 -2.55 114.38 116.36 1x2i h ARG 10 Ca 0.14 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1x2i h ARG 10 Cb -0.01 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1x2i h ARG 10 CO -0.03 0.70 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.47 1x2i h LEU 11 N 0.72 0.47 -0.04 3.04 3.38 -0.84 0.71 115.31 122.76 1x2i h LEU 11 Ca 0.18 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1x2i h LEU 11 Cb 0.21 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1x2i h LEU 11 CO -0.01 0.57 0.00 0.40 0.09 0.00 0.00 178.44 179.49 1x2i h ILE 12 N 0.48 1.23 -0.16 1.22 2.04 -1.17 -2.98 117.51 118.17 1x2i h ILE 12 Ca 0.10 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.20 1x2i h ILE 12 Cb 0.37 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1x2i h ILE 12 CO 0.01 0.19 -0.19 0.58 0.00 0.00 0.00 178.15 178.74 1x2i h VAL 13 N -0.21 1.21 0.00 1.67 2.07 -1.21 -1.89 116.25 117.89 1x2i h VAL 13 Ca 0.01 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1x2i h VAL 13 Cb 0.30 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1x2i h VAL 13 CO 0.00 0.30 0.00 -0.62 0.02 0.00 0.00 177.57 177.27 1x2i n GLU 14 N -4.21 0.09 0.11 1.57 1.02 0.22 -1.78 120.64 117.66 1x2i n GLU 14 Ca -0.01 0.41 0.12 0.00 -0.02 0.00 0.00 57.16 57.66 1x2i n GLU 14 Cb 0.32 -1.70 0.46 0.00 -0.02 0.00 0.00 31.44 30.50 1x2i n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x2i n GLY 15 N -0.41 -1.40 3.78 0.62 0.00 -0.71 -4.76 105.19 102.31 1x2i n GLY 15 Ca 0.02 0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1x2i n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x2i s LEU 16 N -4.32 3.90 0.41 0.99 1.43 -0.73 -4.99 118.68 115.36 1x2i s LEU 16 Ca 0.07 2.14 -0.25 0.00 -1.03 0.00 0.00 54.13 55.05 1x2i s LEU 16 Cb 0.11 -4.43 -0.08 0.00 0.03 0.00 0.00 46.19 41.81 1x2i s LEU 16 CO 0.45 -0.94 1.23 -2.16 0.23 0.00 0.00 176.35 175.16 1x2i s PRO 17 N -3.01 3.96 0.00 1.29 0.04 -1.26 -2.71 135.00 133.31 1x2i s PRO 17 Ca 0.67 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.69 1x2i s PRO 17 Cb -0.23 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1x2i s PRO 17 CO 0.28 -0.45 0.00 0.72 0.04 0.00 0.00 177.00 177.59 1x2i n HIS 18 N 0.01 0.00 -3.50 0.56 8.25 -1.26 -4.74 115.22 114.54 1x2i n HIS 18 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.09 1x2i n HIS 18 Cb 0.45 -0.54 -0.10 0.00 1.12 0.00 0.00 29.99 30.92 1x2i n HIS 18 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1x2i s VAL 19 N -2.80 5.25 0.73 1.59 1.01 -1.10 -4.99 120.40 120.09 1x2i s VAL 19 Ca 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 1x2i s VAL 19 Cb 0.00 -3.81 0.15 0.00 0.00 0.00 0.00 36.38 32.72 1x2i s VAL 19 CO 0.00 -0.16 1.00 -1.54 0.00 0.00 0.00 175.10 174.40 1x2i n SER 20 N 5.13 1.04 -0.26 3.32 3.41 -1.26 -4.69 113.62 120.30 1x2i n SER 20 Ca -0.12 -1.95 -0.06 0.00 -0.26 0.00 0.00 58.87 56.49 1x2i n SER 20 Cb 0.48 -0.67 0.05 0.00 -0.26 0.00 0.00 64.21 63.81 1x2i n SER 20 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x2i h ALA 21 N -0.84 0.92 -0.23 7.33 0.00 -1.96 -0.30 119.26 124.18 1x2i h ALA 21 Ca -0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1x2i h ALA 21 Cb 1.14 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1x2i h ALA 21 CO 0.32 0.44 0.06 1.15 0.00 0.00 0.00 179.25 181.22 1x2i h THR 22 N 0.99 1.21 -0.08 0.00 2.02 -2.00 -1.59 112.91 113.47 1x2i h THR 22 Ca 0.25 -0.67 -0.10 0.00 0.77 0.00 0.00 66.41 66.67 1x2i h THR 22 Cb 0.04 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1x2i h THR 22 CO -0.04 0.21 -0.40 0.25 0.37 0.00 0.00 175.52 175.91 1x2i h LEU 23 N 0.20 0.17 -0.36 2.58 5.85 -1.90 -1.51 115.31 120.34 1x2i h LEU 23 Ca 0.07 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1x2i h LEU 23 Cb 0.27 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1x2i h LEU 23 CO 0.00 0.56 0.05 0.00 -0.34 0.00 0.00 178.44 178.71 1x2i h ALA 24 N 1.45 0.48 -0.56 1.25 0.00 -0.84 0.67 119.26 121.71 1x2i h ALA 24 Ca 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1x2i h ALA 24 Cb 0.78 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1x2i h ALA 24 CO 0.06 0.20 0.25 0.00 0.00 0.00 0.00 179.25 179.76 1x2i h ARG 25 N 0.44 0.82 -0.58 0.00 3.08 -1.10 -0.93 114.38 116.10 1x2i h ARG 25 Ca 0.11 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1x2i h ARG 25 Cb 0.38 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1x2i h ARG 25 CO 0.01 0.68 0.35 -0.09 -1.07 0.00 0.00 179.97 179.85 1x2i h ARG 26 N 0.76 0.79 -0.33 0.04 2.43 -1.02 0.14 114.38 117.20 1x2i h ARG 26 Ca 0.19 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1x2i h ARG 26 Cb 0.15 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1x2i h ARG 26 CO -0.02 0.58 0.16 -0.07 -1.51 0.00 0.00 179.97 179.10 1x2i h LEU 27 N 0.79 0.43 -0.75 3.80 3.38 -0.59 -0.40 115.31 121.97 1x2i h LEU 27 Ca 0.21 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1x2i h LEU 27 Cb -0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1x2i h LEU 27 CO -0.04 0.44 0.06 -0.07 0.09 0.00 0.00 178.44 178.92 1x2i h LEU 28 N 0.39 0.97 -0.70 1.67 3.38 -0.90 -0.34 115.31 119.78 1x2i h LEU 28 Ca 0.11 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1x2i h LEU 28 Cb 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1x2i h LEU 28 CO -0.01 0.99 -0.39 0.11 0.09 0.00 0.00 178.44 179.23 1x2i h LYS 29 N 0.94 0.56 0.33 1.13 1.57 -0.83 0.24 116.57 120.51 1x2i h LYS 29 Ca 0.18 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1x2i h LYS 29 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1x2i h LYS 29 CO 0.02 0.85 -0.16 1.25 -0.57 0.00 0.00 179.45 180.84 1x2i h HIS 30 N 0.46 -0.40 0.00 -1.35 2.76 -0.76 -3.35 115.15 112.51 1x2i h HIS 30 Ca 0.04 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.09 1x2i h HIS 30 Cb 0.88 0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.95 1x2i h HIS 30 CO 0.03 -0.06 -0.87 0.74 -1.30 0.00 0.00 177.93 176.47 1x2i h PHE 31 N -0.88 0.00 0.00 5.26 0.04 -1.14 -3.49 116.94 116.73 1x2i h PHE 31 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1x2i h PHE 31 Cb 0.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.67 1x2i h PHE 31 CO 0.03 0.46 0.00 0.41 -0.60 0.00 0.00 178.31 178.62 1x2i n GLY 32 N 1.28 2.63 3.55 -1.45 0.00 0.85 -4.80 105.19 107.26 1x2i n GLY 32 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1x2i n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x2i s SER 33 N -1.41 -0.39 0.17 1.61 1.04 -1.26 -4.98 113.70 108.48 1x2i s SER 33 Ca 0.00 -0.13 -0.15 0.00 0.48 0.00 0.00 55.95 56.15 1x2i s SER 33 Cb 0.00 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.69 1x2i s SER 33 CO 0.00 -0.87 1.83 0.58 0.98 0.00 0.00 173.24 175.76 1x2i h VAL 34 N 2.00 1.13 -0.59 5.02 2.07 -1.93 -2.18 116.25 121.77 1x2i h VAL 34 Ca -0.26 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.06 1x2i h VAL 34 Cb 1.26 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1x2i h VAL 34 CO 0.32 0.13 0.31 -0.08 0.02 0.00 0.00 177.57 178.26 1x2i h GLU 35 N 0.68 0.56 -0.01 1.57 4.81 -1.97 -1.29 114.58 118.93 1x2i h GLU 35 Ca 0.18 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 1x2i h GLU 35 Cb -0.07 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1x2i h GLU 35 CO -0.04 0.37 -0.44 0.00 -0.73 0.00 0.00 179.01 178.18 1x2i h ARG 36 N 0.58 0.02 -0.34 1.92 3.08 -1.81 -1.62 114.38 116.21 1x2i h ARG 36 Ca 0.27 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.23 1x2i h ARG 36 Cb 0.18 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1x2i h ARG 36 CO -0.18 0.46 -0.07 0.28 -1.07 0.00 0.00 179.97 179.39 1x2i h VAL 37 N 0.02 1.28 0.00 2.04 2.07 -0.76 -2.67 116.25 118.22 1x2i h VAL 37 Ca -0.00 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1x2i h VAL 37 Cb 0.78 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1x2i h VAL 37 CO 0.06 0.37 0.00 0.49 0.02 0.00 0.00 177.57 178.51 1x2i n PHE 38 N -4.43 0.00 0.27 1.57 3.72 -0.55 -3.01 117.46 115.04 1x2i n PHE 38 Ca -0.02 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.41 1x2i n PHE 38 Cb 0.33 -0.30 0.03 0.00 -0.94 0.00 0.00 39.48 38.60 1x2i n PHE 38 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1x2i n THR 39 N -1.30 0.03 -2.10 4.37 -2.24 -0.65 -5.00 114.28 107.40 1x2i n THR 39 Ca 0.12 -0.52 -0.41 0.00 -2.27 0.00 0.00 64.05 60.98 1x2i n THR 39 Cb 0.21 1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.54 1x2i n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x2i s ALA 40 N -0.58 3.53 0.89 6.98 0.00 -1.02 -5.01 121.76 126.55 1x2i s ALA 40 Ca 0.08 1.27 -0.13 0.00 0.00 0.00 0.00 51.96 53.18 1x2i s ALA 40 Cb 0.06 -3.50 0.13 0.00 0.00 0.00 0.00 23.12 19.81 1x2i s ALA 40 CO 0.09 -0.66 1.18 -1.54 0.00 0.00 0.00 175.76 174.82 1x2i s SER 41 N -0.23 3.74 0.15 0.00 1.04 -1.26 -4.78 113.70 112.36 1x2i s SER 41 Ca 0.52 0.79 -0.16 0.00 0.48 0.00 0.00 55.95 57.58 1x2i s SER 41 Cb -0.40 -1.25 0.06 0.00 0.10 0.00 0.00 66.02 64.53 1x2i s SER 41 CO 0.50 -2.39 1.76 0.58 0.98 0.00 0.00 173.24 174.67 1x2i h VAL 42 N -1.39 0.93 -0.85 5.02 2.07 -1.95 -0.06 116.25 120.02 1x2i h VAL 42 Ca -0.48 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1x2i h VAL 42 Cb 1.32 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 1x2i h VAL 42 CO 0.59 0.06 0.52 0.00 0.02 0.00 0.00 177.57 178.76 1x2i h ALA 43 N 1.22 1.32 -0.29 1.67 0.00 -1.98 -1.34 119.26 119.86 1x2i h ALA 43 Ca 0.16 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 1x2i h ALA 43 Cb 0.11 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1x2i h ALA 43 CO -0.14 0.59 -0.53 0.93 0.00 0.00 0.00 179.25 180.09 1x2i h GLU 44 N 1.16 0.86 -0.55 0.00 5.08 -1.77 -3.10 114.58 116.27 1x2i h GLU 44 Ca 0.31 -0.54 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 1x2i h GLU 44 Cb -0.07 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1x2i h GLU 44 CO -0.06 1.18 0.11 -0.07 -1.00 0.00 0.00 179.01 179.17 1x2i h LEU 45 N 0.67 0.81 -1.28 1.33 3.38 -0.69 -2.44 115.31 117.09 1x2i h LEU 45 Ca 0.02 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1x2i h LEU 45 Cb 1.14 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1x2i h LEU 45 CO 0.12 0.80 0.00 0.24 0.09 0.00 0.00 178.44 179.69 1x2i h MET 46 N 0.82 0.00 0.00 1.13 2.86 -1.17 -1.28 114.93 117.28 1x2i h MET 46 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1x2i h MET 46 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1x2i h MET 46 CO 0.00 0.00 0.00 0.87 1.06 0.00 0.00 176.91 178.84 1x2i h LYS 47 N 0.00 0.00 -6.35 1.72 1.79 -1.44 -3.45 116.57 108.84 1x2i h LYS 47 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 1x2i h LYS 47 Cb 0.15 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.76 1x2i h LYS 47 CO 0.00 0.00 0.23 0.08 -1.08 0.00 0.00 179.45 178.68 1x2i s VAL 48 N -3.24 4.72 0.21 0.50 1.01 -0.49 -5.00 120.40 118.12 1x2i s VAL 48 Ca 0.07 1.77 -0.31 0.00 0.00 0.00 0.00 61.98 63.51 1x2i s VAL 48 Cb 0.10 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 32.18 1x2i s VAL 48 CO 0.56 0.32 1.64 -0.70 0.00 0.00 0.00 175.10 176.92 1x2i s GLU 49 N 0.16 4.16 0.00 2.72 2.12 -1.26 -1.87 118.70 124.73 1x2i s GLU 49 Ca 0.42 2.52 0.00 0.00 0.36 0.00 0.00 54.97 58.27 1x2i s GLU 49 Cb -0.21 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.09 1x2i s GLU 49 CO 0.25 -0.67 0.00 0.41 -0.54 0.00 0.00 175.26 174.71 1x2i n GLY 50 N 3.47 0.11 3.13 -1.50 0.00 -1.26 -5.03 105.19 104.10 1x2i n GLY 50 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1x2i n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x2i s ILE 51 N -2.00 2.35 0.11 -0.61 1.01 -0.78 -5.01 121.20 116.27 1x2i s ILE 51 Ca 0.00 -1.22 0.02 0.00 0.00 0.00 0.00 60.65 59.45 1x2i s ILE 51 Cb 0.00 -2.20 0.02 0.00 0.01 0.00 0.00 42.46 40.29 1x2i s ILE 51 CO 0.00 0.23 0.12 0.61 0.00 0.00 0.00 174.94 175.90 1x2i n GLY 52 N 4.57 2.41 0.26 6.18 0.00 -1.26 -4.41 105.19 112.93 1x2i n GLY 52 Ca -0.17 -2.17 -0.04 0.00 0.00 0.00 0.00 46.02 43.64 1x2i n GLY 52 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1x2i h GLU 53 N 0.00 0.77 0.29 1.61 4.81 -1.94 -1.16 114.58 118.96 1x2i h GLU 53 Ca -0.06 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1x2i h GLU 53 Cb 0.25 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1x2i h GLU 53 CO 0.09 0.51 -0.18 0.87 -0.73 0.00 0.00 179.01 179.58 1x2i h LYS 54 N 0.80 -0.43 -0.64 1.92 1.57 -2.00 -1.57 116.57 116.21 1x2i h LYS 54 Ca 0.26 0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.99 1x2i h LYS 54 Cb 0.01 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1x2i h LYS 54 CO -0.10 -0.29 0.08 0.82 -0.57 0.00 0.00 179.45 179.39 1x2i h ILE 55 N -0.45 1.26 -0.56 1.86 2.04 -1.93 -2.21 117.51 117.52 1x2i h ILE 55 Ca -0.03 -1.05 0.04 0.00 1.00 0.00 0.00 64.86 64.81 1x2i h ILE 55 Cb 0.37 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1x2i h ILE 55 CO 0.03 0.39 0.32 0.00 0.00 0.00 0.00 178.15 178.90 1x2i h ALA 56 N 1.03 0.73 -0.18 1.87 0.00 -1.08 -0.35 119.26 121.26 1x2i h ALA 56 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1x2i h ALA 56 Cb 0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1x2i h ALA 56 CO 0.02 0.01 -0.41 0.87 0.00 0.00 0.00 179.25 179.74 1x2i h LYS 57 N 0.62 0.42 -0.34 0.00 1.57 -1.14 -0.69 116.57 117.02 1x2i h LYS 57 Ca 0.24 -0.21 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 1x2i h LYS 57 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1x2i h LYS 57 CO -0.13 0.76 -0.28 0.93 -0.57 0.00 0.00 179.45 180.17 1x2i h GLU 58 N 0.35 0.70 -0.09 3.15 5.08 -0.90 0.45 114.58 123.31 1x2i h GLU 58 Ca 0.03 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 1x2i h GLU 58 Cb 0.87 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1x2i h GLU 58 CO 0.07 0.89 -0.01 0.82 -1.00 0.00 0.00 179.01 179.79 1x2i h ILE 59 N 0.60 1.26 -0.14 3.13 2.04 -0.84 -2.57 117.51 120.98 1x2i h ILE 59 Ca 0.08 -0.84 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 1x2i h ILE 59 Cb 0.78 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 1x2i h ILE 59 CO 0.06 0.24 -0.11 0.03 0.00 0.00 0.00 178.15 178.37 1x2i h ARG 60 N -0.13 0.22 -0.14 2.37 2.47 -0.98 -1.96 114.38 116.24 1x2i h ARG 60 Ca 0.03 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 1x2i h ARG 60 Cb 0.37 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 1x2i h ARG 60 CO 0.01 0.34 0.05 -0.09 0.56 0.00 0.00 179.97 180.84 1x2i h ARG 61 N 0.21 0.21 -0.76 0.04 9.65 -0.77 0.95 114.38 123.91 1x2i h ARG 61 Ca 0.04 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1x2i h ARG 61 Cb 0.33 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.84 1x2i h ARG 61 CO 0.02 0.31 0.34 0.28 2.80 0.00 0.00 179.97 183.72 1x2i h VAL 62 N 0.06 1.24 -0.24 0.20 2.07 -1.10 0.63 116.25 119.12 1x2i h VAL 62 Ca 0.05 -0.72 -0.17 0.00 0.82 0.00 0.00 66.70 66.67 1x2i h VAL 62 Cb 0.18 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1x2i h VAL 62 CO -0.00 0.30 -0.54 0.40 0.02 0.00 0.00 177.57 177.75 1x2i h ILE 63 N 1.09 1.30 0.00 4.57 2.04 -1.13 -3.33 117.51 122.05 1x2i h ILE 63 Ca 0.26 -1.76 0.00 0.00 1.00 0.00 0.00 64.86 64.36 1x2i h ILE 63 Cb 0.15 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1x2i h ILE 63 CO -0.03 0.56 -1.03 0.35 0.00 0.00 0.00 178.15 178.00 1x2i n THR 64 N -3.98 0.03 -1.99 -0.27 -2.24 0.31 -4.99 114.28 101.15 1x2i n THR 64 Ca -0.04 -0.10 -0.36 0.00 -2.27 0.00 0.00 64.05 61.29 1x2i n THR 64 Cb 0.61 0.63 0.04 0.00 -2.10 0.00 0.00 70.33 69.51 1x2i n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x2i s ALA 65 N -3.09 2.54 0.55 6.98 0.00 0.20 -4.99 121.76 123.95 1x2i s ALA 65 Ca 0.06 1.04 -0.18 0.00 0.00 0.00 0.00 51.96 52.88 1x2i s ALA 65 Cb 0.16 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 1x2i s ALA 65 CO 0.83 -1.20 1.06 -1.25 0.00 0.00 0.00 175.76 175.20 1x2i s PRO 66 N -3.32 3.47 -0.28 0.00 0.04 -1.26 -4.99 135.00 128.67 1x2i s PRO 66 Ca 0.78 1.31 -0.21 0.00 0.04 0.00 0.00 61.00 62.92 1x2i s PRO 66 Cb -0.31 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.17 1x2i s PRO 66 CO 0.34 -0.70 0.65 -0.47 0.04 0.00 0.00 177.00 176.86 1x2i s TYR 67 N -2.22 3.25 -0.14 0.56 5.04 -1.26 -5.04 117.35 117.54 1x2i s TYR 67 Ca 0.66 0.73 0.02 0.00 -2.44 0.00 0.00 57.07 56.04 1x2i s TYR 67 Cb -0.17 -2.95 0.01 0.00 0.35 0.00 0.00 41.96 39.20 1x2i s TYR 67 CO 0.30 -0.42 -0.20 0.42 -1.34 0.00 0.00 175.55 174.31 1x2i s ILE 68 N 2.61 1.94 -2.16 3.14 1.01 -1.26 -5.33 121.20 121.14 1x2i s ILE 68 Ca 0.27 -0.90 0.17 0.00 0.00 0.00 0.00 60.65 60.19 1x2i s ILE 68 Cb -0.15 -1.73 0.14 0.00 0.01 0.00 0.00 42.46 40.73 1x2i s ILE 68 CO 0.10 0.52 1.05 -0.62 0.00 0.00 0.00 174.94 175.99