#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l0r s PRO 4 N 0.00 2.29 0.00 0.38 0.04 -1.26 -4.99 135.00 131.47 3l0r s PRO 4 Ca 0.00 1.34 0.22 0.00 0.04 0.00 0.00 61.00 62.60 3l0r s PRO 4 Cb 0.00 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 3l0r s PRO 4 CO 0.00 -1.64 0.95 0.41 0.04 0.00 0.00 177.00 176.76 3l0r n GLY 5 N -0.68 -1.07 0.00 0.56 0.00 -1.26 -4.68 105.19 98.06 3l0r n GLY 5 Ca 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3l0r n GLY 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3l0r n GLY 6 N 1.46 0.53 3.87 -0.02 0.00 -1.26 -4.71 105.19 105.05 3l0r n GLY 6 Ca 0.03 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 3l0r n GLY 6 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3l0r s TRP 7 N 0.87 3.56 -0.15 1.61 0.52 -1.26 -4.46 118.94 119.63 3l0r s TRP 7 Ca 0.00 0.71 0.00 0.00 0.02 0.00 0.00 56.10 56.84 3l0r s TRP 7 Cb 0.00 -2.11 0.02 0.00 -1.15 0.00 0.00 33.47 30.24 3l0r s TRP 7 CO 0.00 0.52 -0.14 0.99 0.02 0.00 0.00 176.95 178.34 3l0r s THR 8 N -1.43 1.57 0.35 2.01 2.01 0.12 -4.89 115.64 115.38 3l0r s THR 8 Ca 0.33 -0.64 -0.29 0.00 0.31 0.00 0.00 61.69 61.41 3l0r s THR 8 Cb -0.13 -1.48 -0.11 0.00 0.01 0.00 0.00 72.50 70.78 3l0r s THR 8 CO 0.19 0.45 1.52 -0.13 -0.69 0.00 0.00 174.62 175.96 3l0r s ARG 9 N 1.49 4.11 0.34 4.92 1.81 -1.26 -0.36 118.95 129.99 3l0r s ARG 9 Ca 0.05 2.58 0.06 0.00 -1.72 0.00 0.00 55.73 56.70 3l0r s ARG 9 Cb -0.13 -2.98 -0.07 0.00 -0.45 0.00 0.00 34.95 31.32 3l0r s ARG 9 CO -0.11 -0.57 -0.00 -0.65 -0.68 0.00 0.00 175.30 173.29 3l0r s GLN 10 N -1.61 1.72 -0.26 3.54 -1.52 0.68 -4.88 119.66 117.33 3l0r s GLN 10 Ca 0.56 -1.93 -0.29 0.00 -1.95 0.00 0.00 55.36 51.75 3l0r s GLN 10 Cb -0.47 -1.24 -0.01 0.00 -0.22 0.00 0.00 33.01 31.07 3l0r s GLN 10 CO 0.59 -0.06 1.45 0.34 -0.25 0.00 0.00 175.29 177.36 3l0r s ASP 11 N -3.55 6.53 0.00 5.90 2.15 -1.26 -4.37 116.67 122.07 3l0r s ASP 11 Ca 0.34 1.39 0.25 0.00 0.43 0.00 0.00 52.55 54.96 3l0r s ASP 11 Cb 0.07 -2.54 1.17 0.00 -0.30 0.00 0.00 42.92 41.33 3l0r s ASP 11 CO 0.15 -1.17 1.83 -0.81 -0.17 0.00 0.00 175.17 175.01 3l0r n PRO 12 N 7.48 0.17 0.21 4.34 -0.04 -1.26 -3.10 135.00 142.80 3l0r n PRO 12 Ca 0.17 0.06 0.14 0.00 -0.04 0.00 0.00 63.50 63.82 3l0r n PRO 12 Cb 0.46 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.83 3l0r n PRO 12 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3l0r h THR 13 N 0.00 0.00 -2.66 0.52 2.02 -1.90 -3.44 112.91 107.45 3l0r h THR 13 Ca 0.00 -0.66 -0.52 0.00 0.77 0.00 0.00 66.41 66.00 3l0r h THR 13 Cb 0.35 1.63 0.06 0.00 -1.74 0.00 0.00 68.15 68.44 3l0r h THR 13 CO 0.00 0.00 1.02 -1.61 0.37 0.00 0.00 175.52 175.30 3l0r s GLU 14 N -3.35 4.13 0.25 6.66 2.02 -1.18 -4.89 118.70 122.34 3l0r s GLU 14 Ca 0.05 2.60 -0.05 0.00 0.02 0.00 0.00 54.97 57.60 3l0r s GLU 14 Cb 0.08 -3.13 0.50 0.00 0.10 0.00 0.00 34.13 31.67 3l0r s GLU 14 CO 0.58 -0.76 1.64 0.00 0.02 0.00 0.00 175.26 176.75 3l0r h ALA 15 N 6.99 0.91 -1.01 5.21 0.00 -1.94 0.34 119.26 129.77 3l0r h ALA 15 Ca -0.43 0.23 0.23 0.00 0.00 0.00 0.00 54.91 54.94 3l0r h ALA 15 Cb 1.20 0.37 -0.11 0.00 0.00 0.00 0.00 17.79 19.25 3l0r h ALA 15 CO 0.96 -0.42 0.61 -0.09 0.00 0.00 0.00 179.25 180.31 3l0r h ARG 16 N 0.15 0.58 0.00 0.00 2.43 -1.98 0.43 114.38 115.99 3l0r h ARG 16 Ca 0.44 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.39 3l0r h ARG 16 Cb 0.80 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 3l0r h ARG 16 CO -0.64 0.38 -0.86 0.74 -1.51 0.00 0.00 179.97 178.08 3l0r h PHE 17 N 0.60 0.00 -0.54 2.20 0.04 -1.27 -1.75 116.94 116.21 3l0r h PHE 17 Ca 0.61 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 61.31 3l0r h PHE 17 Cb 1.18 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.31 3l0r h PHE 17 CO -0.00 0.86 0.06 1.25 -0.60 0.00 0.00 178.31 179.89 3l0r h LEU 18 N 0.00 0.88 -0.15 1.54 5.85 -0.69 -1.81 115.31 120.94 3l0r h LEU 18 Ca -0.01 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 3l0r h LEU 18 Cb 1.57 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 3l0r h LEU 18 CO 0.11 0.93 0.06 -0.08 -0.34 0.00 0.00 178.44 179.13 3l0r h GLU 19 N 0.80 0.22 -0.36 1.25 4.81 -1.12 -1.46 114.58 118.72 3l0r h GLU 19 Ca 0.16 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3l0r h GLU 19 Cb 0.44 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 3l0r h GLU 19 CO 0.02 0.31 0.24 -0.07 -0.73 0.00 0.00 179.01 178.78 3l0r h LEU 20 N 0.09 0.41 -0.25 1.64 3.38 -1.24 -0.66 115.31 118.69 3l0r h LEU 20 Ca 0.05 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 3l0r h LEU 20 Cb 0.17 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3l0r h LEU 20 CO -0.00 0.30 -0.60 0.00 0.09 0.00 0.00 178.44 178.23 3l0r h ALA 21 N 1.77 0.41 -0.31 1.53 0.00 -0.83 -1.15 119.26 120.68 3l0r h ALA 21 Ca 0.13 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3l0r h ALA 21 Cb -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3l0r h ALA 21 CO -0.03 0.66 0.18 0.45 0.00 0.00 0.00 179.25 180.51 3l0r h HIS 22 N 0.61 0.43 -0.52 0.00 3.86 -0.79 -0.77 115.15 117.97 3l0r h HIS 22 Ca -0.00 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.28 3l0r h HIS 22 Cb 1.22 -0.14 -0.07 0.00 1.06 0.00 0.00 27.41 29.48 3l0r h HIS 22 CO 0.08 0.34 0.11 0.35 0.86 0.00 0.00 177.93 179.67 3l0r h PHE 23 N 0.39 0.18 -0.31 2.45 3.57 -0.94 -1.00 116.94 121.28 3l0r h PHE 23 Ca 0.11 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 3l0r h PHE 23 Cb 0.05 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3l0r h PHE 23 CO -0.03 -0.00 -0.16 0.00 -2.23 0.00 0.00 178.31 175.89 3l0r h ALA 24 N 1.40 0.44 -0.41 2.41 0.00 -1.02 -3.10 119.26 118.98 3l0r h ALA 24 Ca 0.26 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 3l0r h ALA 24 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3l0r h ALA 24 CO -0.33 0.35 -0.34 1.15 0.00 0.00 0.00 179.25 180.08 3l0r h THR 25 N 0.42 1.27 0.00 0.00 2.02 -0.99 -2.94 112.91 112.68 3l0r h THR 25 Ca 0.07 -1.51 0.00 0.00 0.77 0.00 0.00 66.41 65.74 3l0r h THR 25 Cb 0.69 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 3l0r h THR 25 CO 0.05 0.51 0.00 -1.54 0.37 0.00 0.00 175.52 174.91 3l0r n SER 26 N -4.07 0.41 0.12 4.18 3.41 -0.39 -2.23 113.62 115.05 3l0r n SER 26 Ca -0.01 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 3l0r n SER 26 Cb 0.52 -0.67 0.38 0.00 -0.26 0.00 0.00 64.21 64.18 3l0r n SER 26 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3l0r h SER 27 N 0.00 0.00 -2.12 4.04 0.02 -1.43 -3.42 113.55 110.64 3l0r h SER 27 Ca 0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 3l0r h SER 27 Cb 0.47 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.85 3l0r h SER 27 CO 0.00 0.00 1.02 -1.10 -1.14 0.00 0.00 176.83 175.61 3l0r s GLN 28 N -3.11 3.64 -0.00 3.45 -1.52 -0.95 -4.73 119.66 116.44 3l0r s GLN 28 Ca 0.10 -1.71 0.08 0.00 -1.95 0.00 0.00 55.36 51.88 3l0r s GLN 28 Cb 0.12 -5.02 -0.10 0.00 -0.22 0.00 0.00 33.01 27.79 3l0r s GLN 28 CO 0.60 -1.86 0.26 0.25 -0.25 0.00 0.00 175.29 174.29 3l0r n THR 29 N 5.70 0.00 -1.74 -0.19 -2.24 -1.26 -4.62 114.28 109.93 3l0r n THR 29 Ca 0.27 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 3l0r n THR 29 Cb 0.49 0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 69.43 3l0r n THR 29 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3l0r n GLU 30 N -1.42 2.68 -3.57 -0.78 4.71 -1.26 -3.11 120.64 117.89 3l0r n GLU 30 Ca 0.00 0.95 -0.27 0.00 -0.01 0.00 0.00 57.16 57.84 3l0r n GLU 30 Cb 0.15 -2.74 0.01 0.00 -1.01 0.00 0.00 31.44 27.85 3l0r n GLU 30 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3l0r n GLY 31 N 2.38 -0.49 3.07 0.62 0.00 -1.26 -4.97 105.19 104.54 3l0r n GLY 31 Ca 0.10 0.13 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 3l0r n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3l0r s ARG 32 N -6.25 0.89 0.04 1.61 0.52 -1.18 -5.03 118.95 109.55 3l0r s ARG 32 Ca 0.50 -0.47 -0.01 0.00 -0.52 0.00 0.00 55.73 55.24 3l0r s ARG 32 Cb -0.26 -0.86 -0.27 0.00 0.52 0.00 0.00 34.95 34.08 3l0r s ARG 32 CO 0.62 0.23 0.99 1.49 0.02 0.00 0.00 175.30 178.65 3l0r h GLU 33 N 5.67 0.20 -6.44 3.54 4.81 -1.93 -3.45 114.58 116.98 3l0r h GLU 33 Ca -0.33 -0.35 -0.62 0.00 -0.13 0.00 0.00 59.36 57.93 3l0r h GLU 33 Cb 1.17 0.13 -0.23 0.00 0.63 0.00 0.00 28.75 30.45 3l0r h GLU 33 CO 0.48 1.09 -0.85 -0.06 -0.73 0.00 0.00 179.01 178.94 3l0r s PHE 34 N -2.64 2.02 0.37 0.92 0.08 -1.26 -1.53 117.98 115.94 3l0r s PHE 34 Ca -0.06 -0.40 -0.28 0.00 0.12 0.00 0.00 56.93 56.32 3l0r s PHE 34 Cb 0.07 -1.14 -0.11 0.00 -0.57 0.00 0.00 43.02 41.28 3l0r s PHE 34 CO 0.86 0.21 1.50 0.66 -0.10 0.00 0.00 175.22 178.34 3l0r n TYR 35 N 1.30 3.00 -2.51 0.36 4.01 -0.26 -4.80 117.16 118.26 3l0r n TYR 35 Ca -0.18 0.43 -0.31 0.00 -0.16 0.00 0.00 57.90 57.68 3l0r n TYR 35 Cb 0.53 -2.54 -0.02 0.00 -0.31 0.00 0.00 39.34 37.00 3l0r n TYR 35 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3l0r s ASP 36 N -0.09 6.47 0.33 7.72 1.01 -1.26 0.02 116.67 130.87 3l0r s ASP 36 Ca 0.54 1.30 0.03 0.00 0.71 0.00 0.00 52.55 55.13 3l0r s ASP 36 Cb -0.48 -2.40 -0.04 0.00 1.01 0.00 0.00 42.92 41.01 3l0r s ASP 36 CO 0.63 -0.56 0.12 0.28 0.21 0.00 0.00 175.17 175.85 3l0r s THR 37 N -2.64 0.59 -0.23 -1.27 -1.32 0.29 -4.42 115.64 106.65 3l0r s THR 37 Ca 0.54 -2.00 -0.16 0.00 -1.21 0.00 0.00 61.69 58.86 3l0r s THR 37 Cb -0.10 -2.54 -0.04 0.00 -1.51 0.00 0.00 72.50 68.31 3l0r s THR 37 CO 0.37 0.00 0.43 -0.69 -2.21 0.00 0.00 174.62 172.52 3l0r s VAL 38 N -3.47 5.16 -0.19 5.08 1.01 -1.26 -1.82 120.40 124.91 3l0r s VAL 38 Ca 0.33 0.74 -0.18 0.00 0.00 0.00 0.00 61.98 62.87 3l0r s VAL 38 Cb 0.05 -3.75 -0.20 0.00 0.00 0.00 0.00 36.38 32.48 3l0r s VAL 38 CO 0.16 0.19 0.23 0.52 0.00 0.00 0.00 175.10 176.20 3l0r n VAL 39 N 4.67 1.59 -3.69 2.92 0.31 0.72 -4.94 118.33 119.91 3l0r n VAL 39 Ca -0.07 -0.18 -0.14 0.00 -0.01 0.00 0.00 64.34 63.93 3l0r n VAL 39 Cb 0.51 -1.96 -0.08 0.00 -0.91 0.00 0.00 33.84 31.39 3l0r n VAL 39 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3l0r s THR 40 N -2.41 0.02 -0.40 2.52 -1.32 -1.01 -4.99 115.64 108.04 3l0r s THR 40 Ca -0.28 -0.13 -0.20 0.00 -1.21 0.00 0.00 61.69 59.87 3l0r s THR 40 Cb 0.06 -0.73 0.01 0.00 -1.51 0.00 0.00 72.50 70.34 3l0r s THR 40 CO 0.63 -0.07 0.60 -0.69 -2.21 0.00 0.00 174.62 172.88 3l0r s VAL 41 N -0.45 4.90 0.06 5.08 1.01 -1.26 -0.55 120.40 129.19 3l0r s VAL 41 Ca -0.06 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.20 3l0r s VAL 41 Cb -0.03 -4.12 -0.23 0.00 0.00 0.00 0.00 36.38 32.00 3l0r s VAL 41 CO 0.03 -0.45 1.04 0.11 0.00 0.00 0.00 175.10 175.83 3l0r h LYS 42 N 8.70 0.03 -1.72 2.72 1.79 -0.51 -3.45 116.57 124.14 3l0r h LYS 42 Ca -0.26 -0.06 0.05 0.00 -2.18 0.00 0.00 60.65 58.20 3l0r h LYS 42 Cb 1.11 0.02 -0.25 0.00 -1.58 0.00 0.00 32.23 31.53 3l0r h LYS 42 CO 0.85 0.86 0.32 -2.00 -1.08 0.00 0.00 179.45 178.40 3l0r s GLU 43 N -2.66 0.57 -0.03 3.15 2.12 -1.00 -4.89 118.70 115.95 3l0r s GLU 43 Ca -0.02 0.77 0.02 0.00 0.36 0.00 0.00 54.97 56.10 3l0r s GLU 43 Cb 0.09 0.23 0.01 0.00 0.26 0.00 0.00 34.13 34.72 3l0r s GLU 43 CO 0.83 -0.08 -0.06 0.08 -0.54 0.00 0.00 175.26 175.48 3l0r s VAL 44 N 0.66 0.61 0.03 3.70 1.01 -1.26 -0.25 120.40 124.90 3l0r s VAL 44 Ca -0.02 -0.22 0.06 0.00 0.00 0.00 0.00 61.98 61.80 3l0r s VAL 44 Cb -0.05 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 3l0r s VAL 44 CO -0.08 0.22 -0.17 -1.61 0.00 0.00 0.00 175.10 173.45 3l0r s GLU 45 N 0.50 1.22 0.22 2.72 2.02 -0.52 -0.23 118.70 124.62 3l0r s GLU 45 Ca -0.07 -0.79 0.11 0.00 0.02 0.00 0.00 54.97 54.25 3l0r s GLU 45 Cb -0.11 -1.26 -0.05 0.00 0.10 0.00 0.00 34.13 32.81 3l0r s GLU 45 CO 0.00 0.33 -0.22 0.95 0.02 0.00 0.00 175.26 176.34 3l0r s THR 46 N -0.71 2.42 -0.02 3.63 -4.23 0.51 -0.95 115.64 116.30 3l0r s THR 46 Ca 0.05 -2.12 0.01 0.00 -1.18 0.00 0.00 61.69 58.45 3l0r s THR 46 Cb -0.08 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.59 3l0r s THR 46 CO 0.01 -0.19 -0.01 -1.58 -0.54 0.00 0.00 174.62 172.31 3l0r s GLN 47 N -2.90 0.27 -0.26 3.99 0.74 -0.55 0.12 119.66 121.06 3l0r s GLN 47 Ca 0.23 0.03 -0.24 0.00 0.05 0.00 0.00 55.36 55.44 3l0r s GLN 47 Cb -0.07 -0.40 -0.01 0.00 1.10 0.00 0.00 33.01 33.63 3l0r s GLN 47 CO 0.11 -0.08 0.78 0.08 -0.55 0.00 0.00 175.29 175.63 3l0r s VAL 48 N 0.73 4.85 0.00 1.34 1.01 -1.26 -0.63 120.40 126.44 3l0r s VAL 48 Ca -0.07 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.32 3l0r s VAL 48 Cb -0.10 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.19 3l0r s VAL 48 CO -0.01 -0.09 0.00 1.33 0.00 0.00 0.00 175.10 176.33 3l0r n VAL 49 N 5.30 0.00 -1.65 2.92 0.24 -1.26 -4.86 118.33 119.02 3l0r n VAL 49 Ca 0.04 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.93 3l0r n VAL 49 Cb 0.48 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.84 3l0r n VAL 49 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3l0r n ALA 50 N -3.00 6.48 0.00 2.33 0.00 -1.26 -4.71 120.51 120.35 3l0r n ALA 50 Ca 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 53.44 49.63 3l0r n ALA 50 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 19.45 16.11 3l0r n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3l0r n GLY 51 N 3.51 0.48 2.85 0.00 0.00 -1.26 -4.82 105.19 105.95 3l0r n GLY 51 Ca 0.63 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 3l0r n GLY 51 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3l0r s MET 52 N -0.63 0.02 -0.18 1.61 1.00 -0.08 -4.57 119.30 116.47 3l0r s MET 52 Ca 0.00 0.23 -0.09 0.00 0.00 0.00 0.00 55.69 55.82 3l0r s MET 52 Cb 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 34.83 34.61 3l0r s MET 52 CO 0.00 -0.14 0.13 -0.80 0.00 0.00 0.00 175.02 174.21 3l0r s ASN 53 N 0.90 6.22 -0.17 3.03 0.01 0.20 -0.81 114.94 124.32 3l0r s ASN 53 Ca -0.07 0.28 -0.03 0.00 -0.71 0.00 0.00 52.86 52.33 3l0r s ASN 53 Cb -0.10 -2.08 -0.02 0.00 0.41 0.00 0.00 41.25 39.47 3l0r s ASN 53 CO -0.03 0.23 -0.07 -0.31 -1.51 0.00 0.00 177.10 175.41 3l0r s TYR 54 N 0.04 2.93 -0.26 2.20 2.02 -0.34 -1.49 117.35 122.46 3l0r s TYR 54 Ca 0.09 -0.66 -0.02 0.00 -0.37 0.00 0.00 57.07 56.12 3l0r s TYR 54 Cb -0.11 -1.98 0.03 0.00 -0.40 0.00 0.00 41.96 39.49 3l0r s TYR 54 CO -0.01 -0.29 -0.05 0.21 -1.57 0.00 0.00 175.55 173.84 3l0r s LYS 55 N 0.80 2.79 -0.20 -0.62 2.20 -0.12 -0.72 119.74 123.87 3l0r s LYS 55 Ca -0.02 -1.01 -0.02 0.00 -0.36 0.00 0.00 55.97 54.55 3l0r s LYS 55 Cb -0.15 -3.03 -0.00 0.00 -1.51 0.00 0.00 37.83 33.15 3l0r s LYS 55 CO 0.01 -0.43 -0.09 -0.51 -0.36 0.00 0.00 175.35 173.98 3l0r s LEU 56 N 1.32 2.69 -0.33 5.43 1.43 0.48 -1.44 118.68 128.26 3l0r s LEU 56 Ca -0.01 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 3l0r s LEU 56 Cb -0.17 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 3l0r s LEU 56 CO -0.04 0.00 0.36 -0.89 0.23 0.00 0.00 176.35 176.01 3l0r s THR 57 N 1.34 5.17 0.04 5.49 2.01 0.65 -1.23 115.64 129.11 3l0r s THR 57 Ca 0.04 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.20 3l0r s THR 57 Cb -0.14 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 3l0r s THR 57 CO -0.05 -0.05 -0.10 0.27 -0.69 0.00 0.00 174.62 174.00 3l0r s ILE 58 N 2.03 0.75 -0.22 1.82 -4.36 0.11 0.29 121.20 121.63 3l0r s ILE 58 Ca 0.12 -0.98 -0.11 0.00 -0.26 0.00 0.00 60.65 59.42 3l0r s ILE 58 Cb -0.16 -0.75 -0.05 0.00 1.25 0.00 0.00 42.46 42.75 3l0r s ILE 58 CO 0.11 -0.20 0.20 -1.61 0.24 0.00 0.00 174.94 173.68 3l0r s GLU 59 N -1.30 4.14 0.32 0.37 2.02 0.29 -0.79 118.70 123.75 3l0r s GLU 59 Ca -0.04 -0.16 0.10 0.00 0.02 0.00 0.00 54.97 54.89 3l0r s GLU 59 Cb -0.08 -3.50 -0.06 0.00 0.10 0.00 0.00 34.13 30.59 3l0r s GLU 59 CO 0.01 0.13 -0.10 0.96 0.02 0.00 0.00 175.26 176.28 3l0r s ILE 60 N 0.84 2.44 -0.15 -1.63 -4.36 0.34 -0.20 121.20 118.49 3l0r s ILE 60 Ca 0.10 -2.20 -0.24 0.00 -0.26 0.00 0.00 60.65 58.06 3l0r s ILE 60 Cb -0.13 -2.60 0.06 0.00 1.25 0.00 0.00 42.46 41.04 3l0r s ILE 60 CO 0.03 -0.26 0.60 -0.55 0.24 0.00 0.00 174.94 175.00 3l0r s SER 61 N -3.61 -0.59 0.26 4.36 0.15 -0.75 -1.33 113.70 112.18 3l0r s SER 61 Ca 0.32 0.93 -0.30 0.00 0.70 0.00 0.00 55.95 57.60 3l0r s SER 61 Cb -0.00 0.91 -0.13 0.00 -1.71 0.00 0.00 66.02 65.08 3l0r s SER 61 CO 0.17 -0.37 1.39 -2.65 1.20 0.00 0.00 173.24 172.97 3l0r n PRO 62 N 1.96 2.08 -2.68 5.44 -0.02 -1.26 -0.55 135.00 139.98 3l0r n PRO 62 Ca -0.16 0.74 -0.22 0.00 -2.02 0.00 0.00 63.50 61.84 3l0r n PRO 62 Cb 0.56 -2.38 0.07 0.00 -0.02 0.00 0.00 33.50 31.72 3l0r n PRO 62 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3l0r s SER 63 N 0.17 4.89 0.05 2.55 1.04 0.10 -1.46 113.70 121.04 3l0r s SER 63 Ca 0.65 -0.27 0.23 0.00 0.48 0.00 0.00 55.95 57.04 3l0r s SER 63 Cb -0.62 -0.38 0.95 0.00 0.10 0.00 0.00 66.02 66.07 3l0r s SER 63 CO 0.52 -1.44 1.73 1.33 0.98 0.00 0.00 173.24 176.36 3l0r n VAL 64 N -2.51 0.50 -3.13 5.02 0.24 -0.24 -4.50 118.33 113.72 3l0r n VAL 64 Ca 0.12 0.08 -0.40 0.00 -2.04 0.00 0.00 64.34 62.09 3l0r n VAL 64 Cb 0.60 -0.75 -0.06 0.00 -1.47 0.00 0.00 33.84 32.17 3l0r n VAL 64 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3l0r s LYS 66 N 1.67 4.27 0.27 0.00 2.20 -1.26 -1.10 119.74 125.79 3l0r s LYS 66 Ca 0.29 0.87 -0.31 0.00 -0.36 0.00 0.00 55.97 56.47 3l0r s LYS 66 Cb -0.16 -3.57 -0.12 0.00 -1.51 0.00 0.00 37.83 32.47 3l0r s LYS 66 CO 0.11 -0.29 1.57 -0.89 -0.36 0.00 0.00 175.35 175.49 3l0r n ILE 67 N 4.71 0.90 0.00 5.43 5.41 -0.58 -1.78 119.36 133.45 3l0r n ILE 67 Ca 0.02 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.55 3l0r n ILE 67 Cb 0.49 -1.86 0.00 0.00 -0.71 0.00 0.00 39.64 37.56 3l0r n ILE 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3l0r n GLY 68 N 2.35 2.05 0.17 7.39 0.00 -1.26 -4.82 105.19 111.06 3l0r n GLY 68 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 3l0r n GLY 68 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3l0r n GLU 69 N -2.00 0.48 -4.16 1.61 4.07 -0.73 -5.05 120.64 114.86 3l0r n GLU 69 Ca 0.00 0.14 -0.10 0.00 -0.06 0.00 0.00 57.16 57.14 3l0r n GLU 69 Cb 0.00 -1.35 -0.10 0.00 -0.06 0.00 0.00 31.44 29.93 3l0r n GLU 69 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 3l0r s VAL 70 N -2.39 0.48 0.41 6.31 -7.23 -1.10 -5.04 120.40 111.84 3l0r s VAL 70 Ca -0.27 -1.91 -0.19 0.00 -1.81 0.00 0.00 61.98 57.80 3l0r s VAL 70 Cb 0.08 -1.77 -0.10 0.00 0.56 0.00 0.00 36.38 35.15 3l0r s VAL 70 CO 0.43 -0.78 0.90 -1.10 -0.31 0.00 0.00 175.10 174.24 3l0r s GLN 71 N -3.90 4.16 0.16 4.82 -0.21 -1.26 -4.76 119.66 118.67 3l0r s GLN 71 Ca 0.14 1.01 -0.30 0.00 0.02 0.00 0.00 55.36 56.23 3l0r s GLN 71 Cb 0.06 -2.23 -0.07 0.00 1.00 0.00 0.00 33.01 31.77 3l0r s GLN 71 CO -0.04 -0.00 1.10 -0.47 -2.12 0.00 0.00 175.29 173.76 3l0r s TYR 72 N -2.16 3.58 -0.01 0.91 5.04 -1.26 -4.95 117.35 118.50 3l0r s TYR 72 Ca 0.60 1.58 -0.05 0.00 -2.44 0.00 0.00 57.07 56.75 3l0r s TYR 72 Cb -0.09 -3.28 0.00 0.00 0.35 0.00 0.00 41.96 38.94 3l0r s TYR 72 CO 0.15 -0.64 0.12 -1.54 -1.34 0.00 0.00 175.55 172.30 3l0r s SER 73 N 0.02 -0.01 0.42 4.32 1.04 -1.26 -5.04 113.70 113.19 3l0r s SER 73 Ca 0.50 -0.07 0.14 0.00 0.48 0.00 0.00 55.95 57.00 3l0r s SER 73 Cb -0.29 0.22 1.00 0.00 0.10 0.00 0.00 66.02 67.05 3l0r s SER 73 CO 0.34 -0.24 1.93 0.00 0.98 0.00 0.00 173.24 176.25 3l0r h ALA 74 N 4.93 2.04 -0.00 5.32 0.00 -1.97 -1.45 119.26 128.12 3l0r h ALA 74 Ca -0.29 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.36 3l0r h ALA 74 Cb 1.20 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.93 3l0r h ALA 74 CO 0.41 -0.23 -1.03 0.93 0.00 0.00 0.00 179.25 179.33 3l0r h GLU 75 N 0.47 0.67 0.18 0.00 3.07 -2.01 -3.35 114.58 113.61 3l0r h GLU 75 Ca 0.36 -0.72 -0.35 0.00 -0.50 0.00 0.00 59.36 58.15 3l0r h GLU 75 Cb 0.74 0.20 0.01 0.00 -0.84 0.00 0.00 28.75 28.86 3l0r h GLU 75 CO -0.12 1.30 -1.76 0.37 -1.40 0.00 0.00 179.01 177.41 3l0r h GLN 76 N 0.38 0.38 -3.21 2.33 4.15 -1.94 -3.40 115.11 113.80 3l0r h GLN 76 Ca -0.12 -0.65 -0.74 0.00 0.77 0.00 0.00 58.65 57.91 3l0r h GLN 76 Cb 1.68 0.24 -0.11 0.00 0.21 0.00 0.00 27.48 29.51 3l0r h GLN 76 CO 0.20 1.31 2.50 0.00 -1.93 0.00 0.00 178.83 180.91 3l0r s VAL 78 N 0.42 3.96 0.50 0.00 -7.23 -1.26 -4.68 120.40 112.10 3l0r s VAL 78 Ca 0.48 0.76 -0.23 0.00 -1.81 0.00 0.00 61.98 61.18 3l0r s VAL 78 Cb 0.14 -3.40 -0.07 0.00 0.56 0.00 0.00 36.38 33.61 3l0r s VAL 78 CO -0.05 -0.71 1.40 -2.84 -0.31 0.00 0.00 175.10 172.59 3l0r s PRO 79 N -4.63 3.40 0.15 4.82 0.02 -1.26 -1.07 135.00 136.43 3l0r s PRO 79 Ca 0.60 2.34 -0.15 0.00 0.02 0.00 0.00 61.00 63.81 3l0r s PRO 79 Cb -0.15 -2.45 0.03 0.00 0.02 0.00 0.00 34.50 31.94 3l0r s PRO 79 CO 0.47 -1.02 1.76 0.87 -0.33 0.00 0.00 177.00 178.75 3l0r h LYS 80 N 1.88 0.64 -2.50 5.54 1.57 -1.48 -3.41 116.57 118.81 3l0r h LYS 80 Ca -0.51 -0.08 -0.45 0.00 -1.87 0.00 0.00 60.65 57.75 3l0r h LYS 80 Cb 1.28 -0.12 -0.37 0.00 0.08 0.00 0.00 32.23 33.10 3l0r h LYS 80 CO 0.59 0.51 -0.72 0.34 -0.57 0.00 0.00 179.45 179.60 3l0r s ASP 81 N -5.76 2.70 0.00 0.86 -1.08 -1.26 -5.01 116.67 107.12 3l0r s ASP 81 Ca -0.13 -1.11 0.11 0.00 -0.52 0.00 0.00 52.55 50.90 3l0r s ASP 81 Cb 0.11 0.02 0.50 0.00 -1.46 0.00 0.00 42.92 42.09 3l0r s ASP 81 CO 0.75 -0.41 1.35 0.00 0.52 0.00 0.00 175.17 177.38 3l0r n ALA 82 N 5.21 1.54 0.92 3.66 0.00 -1.26 -1.58 120.51 129.00 3l0r n ALA 82 Ca -0.03 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.49 3l0r n ALA 82 Cb 0.44 -1.18 0.27 0.00 0.00 0.00 0.00 19.45 18.97 3l0r n ALA 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3l0r n GLN 83 N -1.47 0.05 -3.11 0.00 1.13 -1.26 -4.65 117.38 108.07 3l0r n GLN 83 Ca 0.03 0.01 -0.44 0.00 -1.94 0.00 0.00 57.00 54.67 3l0r n GLN 83 Cb 0.13 -1.53 -0.05 0.00 0.11 0.00 0.00 30.24 28.89 3l0r n GLN 83 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3l0r s GLN 84 N -3.03 3.10 0.03 -1.09 2.00 -0.61 -5.04 119.66 115.01 3l0r s GLN 84 Ca 0.10 -1.04 0.06 0.00 -2.00 0.00 0.00 55.36 52.49 3l0r s GLN 84 Cb 0.17 -4.18 -0.02 0.00 0.80 0.00 0.00 33.01 29.78 3l0r s GLN 84 CO 0.69 -1.40 -0.19 0.15 -0.50 0.00 0.00 175.29 174.04 3l0r s LYS 85 N 2.80 1.34 -0.01 1.67 1.02 -1.26 -4.43 119.74 120.87 3l0r s LYS 85 Ca 0.15 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.34 3l0r s LYS 85 Cb -0.21 -1.38 -0.00 0.00 -0.52 0.00 0.00 37.83 35.71 3l0r s LYS 85 CO 0.10 0.36 -0.08 -1.12 -0.92 0.00 0.00 175.35 173.68 3l0r s SER 86 N -0.95 1.03 -0.14 2.83 0.01 -0.44 -4.93 113.70 111.10 3l0r s SER 86 Ca 0.06 -0.16 -0.19 0.00 1.31 0.00 0.00 55.95 56.97 3l0r s SER 86 Cb -0.08 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 65.96 3l0r s SER 86 CO 0.01 0.09 0.53 -0.89 0.41 0.00 0.00 173.24 173.40 3l0r s THR 87 N -0.10 5.13 0.08 1.44 2.01 -1.26 -0.50 115.64 122.44 3l0r s THR 87 Ca 0.02 1.05 0.06 0.00 0.31 0.00 0.00 61.69 63.12 3l0r s THR 87 Cb -0.04 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 3l0r s THR 87 CO -0.00 0.26 -0.16 0.00 -0.69 0.00 0.00 174.62 174.03 3l0r s VAL 89 N -1.31 2.75 -0.09 0.00 1.01 0.18 -0.71 120.40 122.23 3l0r s VAL 89 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3l0r s VAL 89 Cb -0.10 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 3l0r s VAL 89 CO 0.03 0.50 -0.13 0.00 0.00 0.00 0.00 175.10 175.49 3l0r s ALA 90 N 1.08 2.67 -0.15 5.51 0.00 -0.37 -0.98 121.76 129.52 3l0r s ALA 90 Ca -0.00 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.04 3l0r s ALA 90 Cb -0.14 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.87 3l0r s ALA 90 CO -0.04 0.40 -0.17 0.08 0.00 0.00 0.00 175.76 176.03 3l0r s VAL 91 N -0.20 2.49 -0.15 0.00 1.01 -0.29 -0.39 120.40 122.88 3l0r s VAL 91 Ca 0.01 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 3l0r s VAL 91 Cb -0.13 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 3l0r s VAL 91 CO 0.03 0.53 -0.13 -0.63 0.00 0.00 0.00 175.10 174.89 3l0r s ILE 92 N 0.78 2.92 -0.11 2.22 1.09 0.10 0.52 121.20 128.73 3l0r s ILE 92 Ca -0.06 -0.69 -0.16 0.00 -1.10 0.00 0.00 60.65 58.64 3l0r s ILE 92 Cb -0.15 -2.24 -0.05 0.00 -1.06 0.00 0.00 42.46 38.96 3l0r s ILE 92 CO -0.00 0.51 0.39 -0.47 -0.10 0.00 0.00 174.94 175.27 3l0r s TYR 93 N 0.62 3.54 -0.05 3.97 5.04 0.59 -1.20 117.35 129.88 3l0r s TYR 93 Ca -0.07 0.80 0.00 0.00 -2.44 0.00 0.00 57.07 55.36 3l0r s TYR 93 Cb -0.16 -2.41 0.02 0.00 0.35 0.00 0.00 41.96 39.76 3l0r s TYR 93 CO 0.03 0.30 -0.03 -1.58 -1.34 0.00 0.00 175.55 172.93 3l0r s HIS 94 N 0.20 0.66 -0.60 4.97 5.65 0.01 -1.11 115.29 125.07 3l0r s HIS 94 Ca 0.22 -0.17 -0.02 0.00 0.25 0.00 0.00 55.06 55.35 3l0r s HIS 94 Cb -0.15 -0.65 0.15 0.00 -1.18 0.00 0.00 32.58 30.76 3l0r s HIS 94 CO 0.08 -0.21 0.40 0.08 -0.65 0.00 0.00 174.74 174.44 3l0r s VAL 95 N 1.13 3.49 0.27 0.89 1.01 0.33 -0.90 120.40 126.63 3l0r s VAL 95 Ca -0.08 -2.98 -0.04 0.00 0.00 0.00 0.00 61.98 58.89 3l0r s VAL 95 Cb -0.14 -3.30 0.26 0.00 0.00 0.00 0.00 36.38 33.20 3l0r s VAL 95 CO -0.01 -0.85 1.94 -0.65 0.00 0.00 0.00 175.10 175.52 3l0r h PRO 96 N 6.99 1.21 0.00 2.72 0.11 -1.94 -1.47 132.00 139.62 3l0r h PRO 96 Ca -0.03 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3l0r h PRO 96 Cb 0.95 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.78 3l0r h PRO 96 CO 0.71 0.80 0.00 -2.67 -0.21 0.00 0.00 178.00 176.63 3l0r n TRP 97 N -4.41 0.00 -0.40 0.65 2.14 -1.26 -1.82 117.44 112.34 3l0r n TRP 97 Ca 0.12 0.00 0.04 0.00 2.07 0.00 0.00 57.50 59.73 3l0r n TRP 97 Cb 0.05 -0.38 0.07 0.00 -0.81 0.00 0.00 31.31 30.23 3l0r n TRP 97 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 3l0r n GLN 98 N -1.38 2.45 -4.15 -2.67 6.02 -0.63 -5.01 117.38 112.01 3l0r n GLN 98 Ca 0.08 -1.95 -0.29 0.00 -0.01 0.00 0.00 57.00 54.83 3l0r n GLN 98 Cb 0.22 -1.22 -0.06 0.00 1.02 0.00 0.00 30.24 30.20 3l0r n GLN 98 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3l0r n ASN 99 N -0.70 0.09 -4.06 1.08 3.02 -0.76 -4.95 115.26 108.98 3l0r n ASN 99 Ca 0.07 -1.14 -0.18 0.00 -0.03 0.00 0.00 54.58 53.31 3l0r n ASN 99 Cb 0.42 -2.35 -0.14 0.00 -0.61 0.00 0.00 39.78 37.11 3l0r n ASN 99 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3l0r s GLN 100 N -6.96 0.72 -0.24 3.52 0.74 -1.04 -5.03 119.66 111.37 3l0r s GLN 100 Ca 0.06 -0.50 -0.19 0.00 0.05 0.00 0.00 55.36 54.77 3l0r s GLN 100 Cb -0.03 -0.68 0.06 0.00 1.10 0.00 0.00 33.01 33.47 3l0r s GLN 100 CO 0.94 0.17 0.61 0.21 -0.55 0.00 0.00 175.29 176.68 3l0r s LYS 101 N -0.69 0.69 0.13 1.67 2.20 -1.26 -0.51 119.74 121.97 3l0r s LYS 101 Ca 0.01 0.93 -0.18 0.00 -0.36 0.00 0.00 55.97 56.37 3l0r s LYS 101 Cb -0.06 0.27 0.04 0.00 -1.51 0.00 0.00 37.83 36.58 3l0r s LYS 101 CO 0.00 -0.11 0.46 -1.54 -0.36 0.00 0.00 175.35 173.80 3l0r s SER 102 N 0.71 -0.33 -0.42 1.43 1.04 -0.27 -5.00 113.70 110.87 3l0r s SER 102 Ca -0.03 -0.20 -0.26 0.00 0.48 0.00 0.00 55.95 55.94 3l0r s SER 102 Cb -0.05 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.60 3l0r s SER 102 CO -0.05 -0.87 0.95 -0.69 0.98 0.00 0.00 173.24 173.56 3l0r s VAL 103 N -3.67 4.50 0.02 5.02 1.01 -1.26 -0.30 120.40 125.72 3l0r s VAL 103 Ca 0.02 0.99 -0.17 0.00 0.00 0.00 0.00 61.98 62.82 3l0r s VAL 103 Cb 0.01 -4.41 -0.28 0.00 0.00 0.00 0.00 36.38 31.70 3l0r s VAL 103 CO -0.11 -0.72 1.06 0.74 0.00 0.00 0.00 175.10 176.07 3l0r h THR 104 N 5.98 1.36 -2.60 3.92 2.02 -0.29 -3.48 112.91 119.83 3l0r h THR 104 Ca -0.24 -2.38 -0.08 0.00 0.77 0.00 0.00 66.41 64.48 3l0r h THR 104 Cb 1.08 2.77 -0.19 0.00 -1.74 0.00 0.00 68.15 70.07 3l0r h THR 104 CO 1.02 0.71 -0.03 -0.94 0.37 0.00 0.00 175.52 176.65 3l0r s SER 105 N -7.18 -0.42 -0.25 4.18 1.04 -1.14 -4.98 113.70 104.93 3l0r s SER 105 Ca -0.11 0.33 -0.02 0.00 0.48 0.00 0.00 55.95 56.63 3l0r s SER 105 Cb 0.04 0.44 0.13 0.00 0.10 0.00 0.00 66.02 66.73 3l0r s SER 105 CO 0.89 -0.58 0.33 -0.47 0.98 0.00 0.00 173.24 174.38 3l0r s TYR 106 N -1.59 -0.63 -0.12 5.02 5.04 -1.26 -1.13 117.35 122.68 3l0r s TYR 106 Ca -0.10 0.34 -0.00 0.00 -2.44 0.00 0.00 57.07 54.86 3l0r s TYR 106 Cb -0.02 -0.23 0.02 0.00 0.35 0.00 0.00 41.96 42.09 3l0r s TYR 106 CO 0.05 -0.79 -0.08 1.03 -1.34 0.00 0.00 175.55 174.41 3l0r s ARG 107 N 2.45 1.62 -0.35 4.97 0.52 -0.16 -4.97 118.95 123.03 3l0r s ARG 107 Ca 0.10 -0.29 0.03 0.00 -0.52 0.00 0.00 55.73 55.05 3l0r s ARG 107 Cb -0.15 -1.64 0.10 0.00 0.52 0.00 0.00 34.95 33.78 3l0r s ARG 107 CO -0.22 -0.26 0.07 0.00 0.02 0.00 0.00 175.30 174.91 3l0r s GLU 109 N 0.95 2.57 0.00 0.00 2.02 -1.26 -5.03 118.70 117.95 3l0r s GLU 109 Ca 0.10 1.23 0.00 0.00 0.02 0.00 0.00 54.97 56.32 3l0r s GLU 109 Cb -0.20 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.10 3l0r s GLU 109 CO -0.07 -1.41 0.00 0.72 0.02 0.00 0.00 175.26 174.52