#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 4.25 0.76 0.00 1.43 -1.26 -5.04 118.68 118.82 1x2i s LEU 3 Ca 0.00 2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 55.02 1x2i s LEU 3 Cb 0.00 -4.05 0.05 0.00 0.03 0.00 0.00 46.19 42.22 1x2i s LEU 3 CO 0.00 -0.35 1.14 0.42 0.23 0.00 0.00 176.35 177.79 1x2i s THR 4 N -1.56 2.66 0.15 5.49 -4.23 -1.26 -4.85 115.64 112.04 1x2i s THR 4 Ca 0.54 0.22 -0.17 0.00 -1.18 0.00 0.00 61.69 61.09 1x2i s THR 4 Cb -0.23 -3.21 0.01 0.00 1.34 0.00 0.00 72.50 70.41 1x2i s THR 4 CO 0.29 -0.28 1.74 0.25 -0.54 0.00 0.00 174.62 176.08 1x2i h LEU 5 N -0.89 0.08 -0.82 4.79 5.85 -1.99 -1.14 115.31 121.20 1x2i h LEU 5 Ca -0.46 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 1x2i h LEU 5 Cb 1.30 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.33 1x2i h LEU 5 CO 0.65 0.08 0.41 0.00 -0.34 0.00 0.00 178.44 179.24 1x2i h ALA 6 N 1.21 1.05 -0.68 1.25 0.00 -1.99 -0.27 119.26 119.84 1x2i h ALA 6 Ca 0.15 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1x2i h ALA 6 Cb 0.13 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1x2i h ALA 6 CO -0.16 0.60 0.24 0.93 0.00 0.00 0.00 179.25 180.86 1x2i h GLU 7 N 1.15 1.03 -0.49 0.00 5.08 -1.83 -1.75 114.58 117.78 1x2i h GLU 7 Ca 0.28 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1x2i h GLU 7 Cb 0.10 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1x2i h GLU 7 CO -0.04 0.88 -0.14 -0.09 -1.00 0.00 0.00 179.01 178.62 1x2i h ARG 8 N 0.97 0.96 -0.52 2.33 2.43 -0.75 -0.66 114.38 119.14 1x2i h ARG 8 Ca 0.22 -0.38 0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1x2i h ARG 8 Cb 0.25 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 1x2i h ARG 8 CO -0.01 1.05 0.34 1.96 -1.51 0.00 0.00 179.97 181.79 1x2i h GLN 9 N 0.82 0.67 -0.38 0.20 4.20 -0.83 -0.96 115.11 118.83 1x2i h GLN 9 Ca 0.12 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1x2i h GLN 9 Cb 0.70 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1x2i h GLN 9 CO 0.05 0.44 0.10 0.00 -0.67 0.00 0.00 178.83 178.76 1x2i h ARG 10 N 0.69 0.59 -0.48 1.46 3.08 -1.16 -2.45 114.38 116.11 1x2i h ARG 10 Ca 0.20 -0.14 0.07 0.00 0.07 0.00 0.00 59.98 60.18 1x2i h ARG 10 Cb -0.06 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 29.85 1x2i h ARG 10 CO -0.05 0.62 0.13 1.25 -1.07 0.00 0.00 179.97 180.85 1x2i h LEU 11 N 0.46 0.09 -0.08 3.04 5.85 -0.73 0.18 115.31 124.12 1x2i h LEU 11 Ca 0.12 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1x2i h LEU 11 Cb 0.28 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1x2i h LEU 11 CO -0.00 0.08 0.05 0.40 -0.34 0.00 0.00 178.44 178.62 1x2i h ILE 12 N 0.29 1.09 -0.15 4.05 2.04 -1.09 -2.86 117.51 120.88 1x2i h ILE 12 Ca 0.24 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 1x2i h ILE 12 Cb 0.28 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1x2i h ILE 12 CO -0.27 0.08 -0.28 0.58 0.00 0.00 0.00 178.15 178.25 1x2i h VAL 13 N 0.04 1.26 0.00 1.67 2.07 -1.06 -1.96 116.25 118.26 1x2i h VAL 13 Ca 0.03 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1x2i h VAL 13 Cb 0.08 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1x2i h VAL 13 CO -0.00 0.37 0.00 -0.62 0.02 0.00 0.00 177.57 177.34 1x2i n GLU 14 N -4.13 0.13 0.04 1.57 1.02 0.61 -1.74 120.64 118.15 1x2i n GLU 14 Ca -0.01 0.47 0.11 0.00 -0.02 0.00 0.00 57.16 57.71 1x2i n GLU 14 Cb 0.39 -1.82 0.44 0.00 -0.02 0.00 0.00 31.44 30.43 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 -0.53 -1.28 3.79 0.62 0.00 -0.74 -4.75 105.19 102.31 1x2i n GLY 15 Ca 0.01 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.52 3.76 0.25 0.99 1.43 -0.71 -4.98 118.68 115.90 1x2i s LEU 16 Ca 0.09 1.99 -0.30 0.00 -1.03 0.00 0.00 54.13 54.88 1x2i s LEU 16 Cb 0.12 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.68 1x2i s LEU 16 CO 0.40 -0.98 1.42 -2.16 0.23 0.00 0.00 176.35 175.26 1x2i s PRO 17 N -3.37 4.28 -2.00 1.29 0.04 -1.26 -2.74 135.00 131.24 1x2i s PRO 17 Ca 0.68 2.28 0.00 0.00 0.04 0.00 0.00 61.00 64.01 1x2i s PRO 17 Cb -0.19 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1x2i s PRO 17 CO 0.25 -0.40 0.00 0.72 0.04 0.00 0.00 177.00 177.61 1x2i n HIS 18 N 2.27 -0.11 -3.83 0.56 8.25 -1.26 -4.70 115.22 116.39 1x2i n HIS 18 Ca 0.06 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.16 1x2i n HIS 18 Cb 0.40 -3.31 -0.13 0.00 1.12 0.00 0.00 29.99 28.07 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 -2.75 3.39 0.88 1.59 1.01 -1.11 -5.03 120.40 118.39 1x2i s VAL 19 Ca 0.00 -1.23 -0.10 0.00 0.00 0.00 0.00 61.98 60.65 1x2i s VAL 19 Cb 0.00 -2.92 0.19 0.00 0.00 0.00 0.00 36.38 33.65 1x2i s VAL 19 CO 0.00 -0.12 1.21 -0.94 0.00 0.00 0.00 175.10 175.25 1x2i s SER 20 N 1.33 3.46 0.34 3.32 1.04 -1.26 -4.66 113.70 117.26 1x2i s SER 20 Ca -0.03 -0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.37 1x2i s SER 20 Cb -0.19 -0.05 0.61 0.00 0.10 0.00 0.00 66.02 66.49 1x2i s SER 20 CO 0.01 -2.48 1.91 0.00 0.98 0.00 0.00 173.24 173.65 1x2i h ALA 21 N -1.26 1.41 -0.20 5.32 0.00 -1.95 0.75 119.26 123.33 1x2i h ALA 21 Ca -0.40 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1x2i h ALA 21 Cb 1.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1x2i h ALA 21 CO 0.36 0.43 0.05 1.15 0.00 0.00 0.00 179.25 181.24 1x2i h THR 22 N 0.59 1.20 -0.05 0.00 2.02 -2.00 -2.03 112.91 112.64 1x2i h THR 22 Ca 0.14 -0.65 -0.14 0.00 0.77 0.00 0.00 66.41 66.54 1x2i h THR 22 Cb 0.23 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1x2i h THR 22 CO -0.00 0.20 -0.59 0.25 0.37 0.00 0.00 175.52 175.75 1x2i h LEU 23 N 0.15 0.17 -0.51 2.58 5.85 -1.84 -2.41 115.31 119.29 1x2i h LEU 23 Ca 0.06 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1x2i h LEU 23 Cb 0.26 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1x2i h LEU 23 CO -0.00 0.72 0.25 0.00 -0.34 0.00 0.00 178.44 179.06 1x2i h ALA 24 N 1.28 0.65 -0.64 1.25 0.00 -0.71 -0.20 119.26 120.90 1x2i h ALA 24 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1x2i h ALA 24 Cb 1.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1x2i h ALA 24 CO 0.09 0.21 0.27 0.00 0.00 0.00 0.00 179.25 179.82 1x2i h ARG 25 N 0.68 0.95 -0.46 0.00 3.08 -1.22 -1.27 114.38 116.14 1x2i h ARG 25 Ca 0.17 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1x2i h ARG 25 Cb 0.11 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1x2i h ARG 25 CO -0.02 0.79 0.30 0.00 -1.07 0.00 0.00 179.97 179.97 1x2i h ARG 26 N 0.90 0.60 -0.31 0.04 2.47 -0.98 0.21 114.38 117.31 1x2i h ARG 26 Ca 0.22 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 1x2i h ARG 26 Cb 0.19 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1x2i h ARG 26 CO -0.02 0.40 0.15 -0.07 0.56 0.00 0.00 179.97 180.99 1x2i h LEU 27 N 0.62 0.40 -0.76 3.04 3.38 -0.80 -1.24 115.31 119.95 1x2i h LEU 27 Ca 0.17 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1x2i h LEU 27 Cb -0.06 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1x2i h LEU 27 CO -0.04 0.40 -0.09 -0.07 0.09 0.00 0.00 178.44 178.73 1x2i h LEU 28 N 0.37 0.84 -0.74 1.67 3.38 -1.01 -0.30 115.31 119.51 1x2i h LEU 28 Ca 0.11 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 1x2i h LEU 28 Cb 0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1x2i h LEU 28 CO -0.01 0.96 -0.29 0.11 0.09 0.00 0.00 178.44 179.30 1x2i h LYS 29 N 0.77 0.64 0.03 1.13 1.57 -0.83 0.26 116.57 120.15 1x2i h LYS 29 Ca 0.13 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1x2i h LYS 29 Cb 0.59 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1x2i h LYS 29 CO 0.04 0.86 -0.02 1.25 -0.57 0.00 0.00 179.45 181.01 1x2i h HIS 30 N 0.55 -0.04 0.00 -1.35 2.76 -0.99 -3.35 115.15 112.73 1x2i h HIS 30 Ca 0.07 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.19 1x2i h HIS 30 Cb 0.77 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.74 1x2i h HIS 30 CO 0.03 0.57 -0.67 0.74 -1.30 0.00 0.00 177.93 177.30 1x2i h PHE 31 N -0.70 0.00 0.00 5.26 0.04 -1.11 -3.49 116.94 116.94 1x2i h PHE 31 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1x2i h PHE 31 Cb 0.63 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.78 1x2i h PHE 31 CO 0.14 0.19 0.00 0.41 -0.60 0.00 0.00 178.31 178.45 1x2i n GLY 32 N 1.20 2.49 3.23 -1.45 0.00 0.92 -4.79 105.19 106.79 1x2i n GLY 32 Ca -0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 0.24 0.16 0.17 1.61 1.04 -1.26 -4.92 113.70 110.74 1x2i s SER 33 Ca 0.00 -0.83 -0.14 0.00 0.48 0.00 0.00 55.95 55.46 1x2i s SER 33 Cb 0.00 0.35 0.07 0.00 0.10 0.00 0.00 66.02 66.54 1x2i s SER 33 CO 0.00 -0.77 1.83 0.58 0.98 0.00 0.00 173.24 175.86 1x2i h VAL 34 N 2.74 1.15 -0.81 5.02 2.07 -1.93 -2.33 116.25 122.15 1x2i h VAL 34 Ca -0.33 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 66.96 1x2i h VAL 34 Cb 1.20 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 1x2i h VAL 34 CO 0.55 0.14 0.50 -0.08 0.02 0.00 0.00 177.57 178.70 1x2i h GLU 35 N 0.73 0.89 -0.22 1.57 4.81 -1.97 -0.51 114.58 119.88 1x2i h GLU 35 Ca 0.20 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.27 1x2i h GLU 35 Cb -0.07 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 1x2i h GLU 35 CO -0.04 0.59 -0.29 0.00 -0.73 0.00 0.00 179.01 178.54 1x2i h ARG 36 N 0.92 0.44 -0.39 1.92 3.08 -1.80 -1.67 114.38 116.88 1x2i h ARG 36 Ca 0.35 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 60.16 1x2i h ARG 36 Cb 0.16 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1x2i h ARG 36 CO -0.17 0.69 -0.02 0.28 -1.07 0.00 0.00 179.97 179.69 1x2i h VAL 37 N 0.39 1.26 0.00 2.04 2.07 -0.82 -2.62 116.25 118.56 1x2i h VAL 37 Ca 0.05 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1x2i h VAL 37 Cb 0.71 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1x2i h VAL 37 CO 0.05 0.35 0.00 0.49 0.02 0.00 0.00 177.57 178.48 1x2i n PHE 38 N -4.44 0.00 0.12 1.57 3.01 -0.27 -3.04 117.46 114.42 1x2i n PHE 38 Ca -0.01 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.47 1x2i n PHE 38 Cb 0.30 -0.35 0.03 0.00 -0.01 0.00 0.00 39.48 39.44 1x2i n PHE 38 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1x2i n THR 39 N -1.35 0.22 -2.43 4.37 -2.24 -0.66 -4.98 114.28 107.21 1x2i n THR 39 Ca 0.09 -0.61 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 1x2i n THR 39 Cb 0.21 0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.49 3.42 0.93 6.98 0.00 -1.00 -5.03 121.76 126.57 1x2i s ALA 40 Ca 0.06 0.93 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 1x2i s ALA 40 Cb 0.04 -3.36 0.15 0.00 0.00 0.00 0.00 23.12 19.95 1x2i s ALA 40 CO 0.05 -0.25 1.13 -1.54 0.00 0.00 0.00 175.76 175.15 1x2i s SER 41 N -0.58 3.33 0.17 0.00 1.04 -1.26 -4.75 113.70 111.65 1x2i s SER 41 Ca 0.47 1.01 -0.14 0.00 0.48 0.00 0.00 55.95 57.76 1x2i s SER 41 Cb -0.33 -1.60 0.11 0.00 0.10 0.00 0.00 66.02 64.30 1x2i s SER 41 CO 0.41 -2.67 1.78 0.58 0.98 0.00 0.00 173.24 174.32 1x2i h VAL 42 N -1.58 0.95 -0.95 5.02 2.07 -1.96 0.05 116.25 119.85 1x2i h VAL 42 Ca -0.51 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1x2i h VAL 42 Cb 1.33 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 1x2i h VAL 42 CO 0.61 0.08 0.63 0.00 0.02 0.00 0.00 177.57 178.91 1x2i h ALA 43 N 1.25 1.32 -0.35 1.67 0.00 -1.96 -1.69 119.26 119.51 1x2i h ALA 43 Ca 0.20 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1x2i h ALA 43 Cb 0.12 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1x2i h ALA 43 CO -0.15 0.63 -0.40 0.93 0.00 0.00 0.00 179.25 180.26 1x2i h GLU 44 N 1.29 0.88 -0.68 0.00 5.08 -1.74 -2.99 114.58 116.41 1x2i h GLU 44 Ca 0.35 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1x2i h GLU 44 Cb -0.15 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1x2i h GLU 44 CO -0.08 1.13 0.41 -0.07 -1.00 0.00 0.00 179.01 179.40 1x2i h LEU 45 N 0.67 0.81 -0.62 1.33 3.38 -0.63 -2.07 115.31 118.18 1x2i h LEU 45 Ca 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1x2i h LEU 45 Cb 0.99 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1x2i h LEU 45 CO 0.10 0.62 0.00 0.23 0.09 0.00 0.00 178.44 179.48 1x2i n MET 46 N -4.40 0.12 0.24 1.13 2.81 -0.67 -2.12 117.12 114.24 1x2i n MET 46 Ca 0.07 0.44 0.12 0.00 -1.81 0.00 0.00 57.70 56.52 1x2i n MET 46 Cb 0.07 -1.77 0.56 0.00 -0.71 0.00 0.00 33.22 31.37 1x2i n MET 46 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1x2i h LYS 47 N 0.00 0.00 -6.35 0.03 1.57 -1.38 -3.43 116.57 107.01 1x2i h LYS 47 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1x2i h LYS 47 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1x2i h LYS 47 CO 0.00 0.15 0.81 0.08 -0.57 0.00 0.00 179.45 179.93 1x2i s VAL 48 N -3.74 3.84 -0.04 0.50 1.01 -0.90 -4.94 120.40 116.13 1x2i s VAL 48 Ca 0.00 1.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.88 1x2i s VAL 48 Cb 0.10 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 1x2i s VAL 48 CO 0.60 -0.01 1.63 -0.70 0.00 0.00 0.00 175.10 176.62 1x2i s GLU 49 N 2.43 4.19 0.00 2.72 2.56 -1.26 -1.41 118.70 127.94 1x2i s GLU 49 Ca 0.62 2.18 0.00 0.00 0.00 0.00 0.00 54.97 57.77 1x2i s GLU 49 Cb -0.30 -3.90 0.00 0.00 2.00 0.00 0.00 34.13 31.94 1x2i s GLU 49 CO 0.25 -0.81 0.00 0.41 -0.56 0.00 0.00 175.26 174.56 1x2i n GLY 50 N 4.06 1.65 3.26 -1.50 0.00 -1.26 -5.04 105.19 106.37 1x2i n GLY 50 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.05 3.77 0.31 -0.61 -1.09 -0.50 -5.07 121.20 115.97 1x2i s ILE 51 Ca 0.00 -1.20 0.00 0.00 -2.23 0.00 0.00 60.65 57.22 1x2i s ILE 51 Cb 0.00 -3.17 0.06 0.00 -1.58 0.00 0.00 42.46 37.78 1x2i s ILE 51 CO 0.00 -0.22 0.43 0.61 -1.23 0.00 0.00 174.94 174.53 1x2i n GLY 52 N 4.80 0.82 0.15 6.18 0.00 -1.26 -4.52 105.19 111.37 1x2i n GLY 52 Ca -0.12 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 43.80 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 0.44 0.05 1.61 4.81 -1.96 -1.59 114.58 117.93 1x2i h GLU 53 Ca -0.14 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1x2i h GLU 53 Cb 0.54 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 1x2i h GLU 53 CO 0.16 0.49 -0.23 -0.22 -0.73 0.00 0.00 179.01 178.47 1x2i h LYS 54 N 0.30 -0.38 -0.55 1.92 1.63 -1.99 -0.73 116.57 116.76 1x2i h LYS 54 Ca 0.09 0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 1x2i h LYS 54 Cb 0.23 0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.92 1x2i h LYS 54 CO -0.00 -0.25 0.28 0.82 -3.45 0.00 0.00 179.45 176.84 1x2i h ILE 55 N -0.39 1.20 -0.40 2.00 1.08 -1.94 -1.94 117.51 117.10 1x2i h ILE 55 Ca 0.05 -0.53 0.02 0.00 -0.39 0.00 0.00 64.86 64.00 1x2i h ILE 55 Cb 0.45 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.71 1x2i h ILE 55 CO -0.18 0.22 0.23 0.00 -0.69 0.00 0.00 178.15 177.74 1x2i h ALA 56 N 1.12 0.50 -0.68 1.87 0.00 -1.00 -0.15 119.26 120.91 1x2i h ALA 56 Ca 0.19 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1x2i h ALA 56 Cb 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1x2i h ALA 56 CO -0.03 -0.10 0.19 0.87 0.00 0.00 0.00 179.25 180.19 1x2i h LYS 57 N 0.47 1.07 -0.42 0.00 1.57 -0.99 -1.21 116.57 117.06 1x2i h LYS 57 Ca 0.16 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1x2i h LYS 57 Cb 0.01 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1x2i h LYS 57 CO -0.07 0.92 0.07 0.93 -0.57 0.00 0.00 179.45 180.73 1x2i h GLU 58 N 1.02 0.69 0.16 3.15 4.39 -0.93 -0.85 114.58 122.22 1x2i h GLU 58 Ca 0.22 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1x2i h GLU 58 Cb 0.32 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1x2i h GLU 58 CO -0.00 0.73 -0.08 0.82 -1.16 0.00 0.00 179.01 179.31 1x2i h ILE 59 N 0.55 0.83 -0.58 3.13 2.04 -0.80 -2.24 117.51 120.43 1x2i h ILE 59 Ca 0.13 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.95 1x2i h ILE 59 Cb 0.37 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1x2i h ILE 59 CO 0.01 0.00 0.23 -0.09 0.00 0.00 0.00 178.15 178.30 1x2i h ARG 60 N -0.23 0.84 -0.34 2.37 9.65 -1.16 -1.71 114.38 123.81 1x2i h ARG 60 Ca -0.02 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 58.72 1x2i h ARG 60 Cb 0.18 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 1x2i h ARG 60 CO 0.03 0.70 0.19 -0.09 2.80 0.00 0.00 179.97 183.60 1x2i h ARG 61 N 0.83 0.48 -0.62 0.20 2.43 -0.94 -0.76 114.38 116.01 1x2i h ARG 61 Ca 0.20 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 1x2i h ARG 61 Cb 0.17 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1x2i h ARG 61 CO -0.02 0.40 0.07 0.28 -1.51 0.00 0.00 179.97 179.19 1x2i h VAL 62 N 0.43 1.26 -0.43 0.20 2.07 -1.10 -0.49 116.25 118.19 1x2i h VAL 62 Ca 0.12 -1.06 -0.13 0.00 0.82 0.00 0.00 66.70 66.45 1x2i h VAL 62 Cb 0.06 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1x2i h VAL 62 CO -0.02 0.39 -0.24 0.40 0.02 0.00 0.00 177.57 178.12 1x2i h ILE 63 N 0.96 1.27 0.00 4.57 2.04 -1.12 -3.29 117.51 121.94 1x2i h ILE 63 Ca 0.19 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.66 1x2i h ILE 63 Cb 0.47 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1x2i h ILE 63 CO 0.02 0.47 -0.84 0.35 0.00 0.00 0.00 178.15 178.15 1x2i n THR 64 N -4.10 0.01 -1.95 -0.27 -2.24 -0.31 -4.98 114.28 100.44 1x2i n THR 64 Ca -0.00 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 1x2i n THR 64 Cb 0.46 0.71 -0.01 0.00 -2.10 0.00 0.00 70.33 69.39 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 -3.01 3.50 0.63 6.98 0.00 -0.20 -4.97 121.76 124.70 1x2i s ALA 65 Ca 0.09 1.41 -0.17 0.00 0.00 0.00 0.00 51.96 53.29 1x2i s ALA 65 Cb 0.16 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1x2i s ALA 65 CO 0.81 -0.87 1.18 -1.25 0.00 0.00 0.00 175.76 175.63 1x2i s PRO 66 N -2.00 2.78 -0.28 0.00 0.04 -1.26 -4.96 135.00 129.32 1x2i s PRO 66 Ca 0.52 1.71 -0.19 0.00 0.04 0.00 0.00 61.00 63.08 1x2i s PRO 66 Cb -0.43 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 1x2i s PRO 66 CO 0.57 -1.33 0.55 -0.47 0.04 0.00 0.00 177.00 176.37 1x2i s TYR 67 N -1.84 3.25 -0.02 0.56 5.04 -1.26 -5.04 117.35 118.04 1x2i s TYR 67 Ca 0.74 0.59 -0.02 0.00 -2.44 0.00 0.00 57.07 55.95 1x2i s TYR 67 Cb -0.28 -2.82 0.01 0.00 0.35 0.00 0.00 41.96 39.22 1x2i s TYR 67 CO 0.37 -0.36 0.06 0.96 -1.34 0.00 0.00 175.55 175.24 1x2i s ILE 68 N 2.41 -0.01 -2.51 3.14 -4.36 -1.26 -5.33 121.20 113.28 1x2i s ILE 68 Ca 0.22 0.03 0.20 0.00 -0.26 0.00 0.00 60.65 60.84 1x2i s ILE 68 Cb -0.15 -0.10 0.16 0.00 1.25 0.00 0.00 42.46 43.62 1x2i s ILE 68 CO 0.10 0.01 1.14 -0.62 0.24 0.00 0.00 174.94 175.81