#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otj s LYS 2 N 0.00 4.21 0.14 4.33 -0.14 -1.26 -4.95 119.74 122.06 2otj s LYS 2 Ca 0.00 1.17 -0.14 0.00 -1.36 0.00 0.00 55.97 55.64 2otj s LYS 2 Cb 0.00 -3.65 -0.00 0.00 -1.68 0.00 0.00 37.83 32.49 2otj s LYS 2 CO 0.00 -0.62 1.59 1.15 -0.76 0.00 0.00 175.35 176.71 2otj h THR 3 N 5.47 1.26 -2.77 2.17 2.02 -2.04 -3.44 112.91 115.58 2otj h THR 3 Ca -0.21 -1.02 -0.54 0.00 0.77 0.00 0.00 66.41 65.42 2otj h THR 3 Cb 1.07 1.04 0.01 0.00 -1.74 0.00 0.00 68.15 68.53 2otj h THR 3 CO 0.95 0.35 0.94 0.21 0.37 0.00 0.00 175.52 178.33 2otj s ASN 4 N -6.26 6.70 0.24 4.18 3.84 -1.26 -4.93 114.94 117.45 2otj s ASN 4 Ca -0.13 2.33 -0.01 0.00 0.21 0.00 0.00 52.86 55.26 2otj s ASN 4 Cb 0.11 -2.56 0.27 0.00 -0.55 0.00 0.00 41.25 38.51 2otj s ASN 4 CO 0.80 -0.82 1.64 -0.65 -2.79 0.00 0.00 177.10 175.29 2otj h PRO 5 N 8.16 0.60 -0.50 0.43 0.11 -2.00 -2.95 132.00 135.84 2otj h PRO 5 Ca -0.41 -0.26 -0.09 0.00 0.11 0.00 0.00 66.00 65.35 2otj h PRO 5 Cb 1.19 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2otj h PRO 5 CO 0.92 0.83 -0.05 0.00 -0.21 0.00 0.00 178.00 179.49 2otj h ARG 6 N 0.51 0.88 -0.02 1.05 3.08 -1.98 -1.75 114.38 116.15 2otj h ARG 6 Ca 0.06 -0.28 -0.10 0.00 0.07 0.00 0.00 59.98 59.74 2otj h ARG 6 Cb 0.78 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 2otj h ARG 6 CO 0.06 0.91 -0.45 1.25 -1.07 0.00 0.00 179.97 180.68 2otj h LEU 7 N 0.80 0.04 -0.24 3.04 5.85 -1.95 -1.52 115.31 121.34 2otj h LEU 7 Ca 0.14 -0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.69 2otj h LEU 7 Cb 0.55 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2otj h LEU 7 CO 0.03 0.49 -0.45 0.28 -0.34 0.00 0.00 178.44 178.45 2otj h SER 8 N 0.04 0.81 0.10 1.25 0.02 -1.29 -2.58 113.55 111.89 2otj h SER 8 Ca -0.00 -0.54 -0.00 0.00 -0.84 0.00 0.00 61.79 60.41 2otj h SER 8 Cb 0.81 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2otj h SER 8 CO 0.06 1.19 -0.05 0.28 -1.14 0.00 0.00 176.83 177.18 2otj h SER 9 N 0.45 -0.11 -0.68 3.07 0.02 -1.15 -0.92 113.55 114.22 2otj h SER 9 Ca 0.01 -0.18 0.15 0.00 -0.84 0.00 0.00 61.79 60.93 2otj h SER 9 Cb 1.05 0.03 -0.11 0.00 0.14 0.00 0.00 62.40 63.51 2otj h SER 9 CO 0.10 0.12 0.05 0.25 -1.14 0.00 0.00 176.83 176.20 2otj h LEU 10 N -0.34 -0.22 -0.51 5.07 5.85 -1.32 0.45 115.31 124.30 2otj h LEU 10 Ca -0.01 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2otj h LEU 10 Cb 0.28 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2otj h LEU 10 CO 0.02 -0.11 0.22 0.40 -0.34 0.00 0.00 178.44 178.63 2otj h ILE 11 N 0.15 1.20 -0.66 4.05 2.04 -1.23 0.20 117.51 123.27 2otj h ILE 11 Ca 0.37 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 2otj h ILE 11 Cb 0.62 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 2otj h ILE 11 CO -0.56 0.23 0.17 0.00 0.00 0.00 0.00 178.15 177.99 2otj h ALA 12 N 1.06 1.06 -0.13 1.87 0.00 0.46 -1.90 119.26 121.68 2otj h ALA 12 Ca 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2otj h ALA 12 Cb 0.16 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2otj h ALA 12 CO -0.02 0.63 0.01 -0.44 0.00 0.00 0.00 179.25 179.43 2otj h ASP 13 N 0.98 0.22 -0.67 0.00 3.32 0.34 -1.41 116.42 119.20 2otj h ASP 13 Ca 0.21 -0.29 0.14 0.00 0.02 0.00 0.00 57.03 57.10 2otj h ASP 13 Cb 0.34 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 2otj h ASP 13 CO -0.00 0.46 0.45 -0.07 -1.72 0.00 0.00 179.24 178.36 2otj h LEU 14 N -0.02 0.31 -0.05 1.55 3.38 -0.39 -0.94 115.31 119.15 2otj h LEU 14 Ca 0.04 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2otj h LEU 14 Cb 0.34 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2otj h LEU 14 CO 0.01 0.17 -0.19 0.11 0.09 0.00 0.00 178.44 178.62 2otj h LYS 15 N 0.33 0.21 -0.97 1.13 1.57 -0.91 -2.16 116.57 115.78 2otj h LYS 15 Ca 0.32 -0.17 0.09 0.00 -1.87 0.00 0.00 60.65 59.03 2otj h LYS 15 Cb 0.79 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.06 2otj h LYS 15 CO -0.08 0.81 0.62 1.03 -0.57 0.00 0.00 179.45 181.26 2otj h SER 16 N -0.34 0.93 -0.05 0.86 0.87 -0.28 -0.48 113.55 115.06 2otj h SER 16 Ca -0.01 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.43 2otj h SER 16 Cb 0.84 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 2otj h SER 16 CO 0.04 0.54 -0.44 0.00 -0.53 0.00 0.00 176.83 176.44 2otj h ALA 17 N 1.52 0.79 -0.03 6.23 0.00 -1.21 -0.90 119.26 125.67 2otj h ALA 17 Ca 0.45 -0.46 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 2otj h ALA 17 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2otj h ALA 17 CO -0.21 0.66 -0.79 0.00 0.00 0.00 0.00 179.25 178.91 2otj h ALA 18 N 1.04 0.60 0.06 0.00 0.00 -0.64 -2.24 119.26 118.08 2otj h ALA 18 Ca 0.03 -0.66 -0.13 0.00 0.00 0.00 0.00 54.91 54.16 2otj h ALA 18 Cb 0.96 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.69 2otj h ALA 18 CO 0.09 0.84 -0.53 0.00 0.00 0.00 0.00 179.25 179.65 2otj h ARG 19 N 0.16 0.26 0.00 0.00 3.08 -1.08 -3.39 114.38 113.40 2otj h ARG 19 Ca -0.04 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2otj h ARG 19 Cb 1.38 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.55 2otj h ARG 19 CO 0.12 1.11 0.00 0.43 -1.07 0.00 0.00 179.97 180.56 2otj n SER 20 N -4.30 0.00 -3.97 7.04 7.64 -0.35 -4.89 113.62 114.81 2otj n SER 20 Ca -0.12 0.61 -0.30 0.00 1.01 0.00 0.00 58.87 60.08 2otj n SER 20 Cb 0.67 -0.47 0.24 0.00 -1.01 0.00 0.00 64.21 63.65 2otj n SER 20 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2otj s SER 21 N -2.63 0.67 0.00 6.43 0.01 -0.84 -4.90 113.70 112.44 2otj s SER 21 Ca 0.00 0.90 0.29 0.00 1.31 0.00 0.00 55.95 58.45 2otj s SER 21 Cb 0.00 -1.33 1.65 0.00 0.21 0.00 0.00 66.02 66.55 2otj s SER 21 CO 0.00 -4.30 2.05 0.61 0.41 0.00 0.00 173.24 172.01 2otj n GLY 22 N -0.13 -1.03 3.61 3.44 0.00 -1.26 -4.64 105.19 105.18 2otj n GLY 22 Ca 0.10 -0.17 -0.46 0.00 0.00 0.00 0.00 46.02 45.50 2otj n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otj n GLY 23 N 0.94 0.06 0.00 -0.02 0.00 -1.10 -4.91 105.19 100.16 2otj n GLY 23 Ca 0.19 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2otj n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otj n ALA 24 N 0.84 1.82 0.06 4.61 0.00 -1.26 -4.51 120.51 122.07 2otj n ALA 24 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.35 2otj n ALA 24 Cb 0.30 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.61 2otj n ALA 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2otj h VAL 25 N 0.00 1.00 0.00 0.00 -1.51 -1.90 -2.87 116.25 110.96 2otj h VAL 25 Ca 0.00 -2.62 -0.01 0.00 -1.23 0.00 0.00 66.70 62.84 2otj h VAL 25 Cb 0.00 2.73 -0.00 0.00 -2.13 0.00 0.00 31.29 31.89 2otj h VAL 25 CO 0.00 0.83 -0.04 -0.50 -1.23 0.00 0.00 177.57 176.63 2otj h TRP 26 N 0.08 0.00 0.00 5.19 -0.00 -1.84 1.07 115.95 120.46 2otj h TRP 26 Ca -0.31 0.00 -0.19 0.00 -0.00 0.00 0.00 58.89 58.39 2otj h TRP 26 Cb 2.06 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 31.18 2otj h TRP 26 CO 0.08 0.04 -1.54 0.41 -0.00 0.00 0.00 178.44 177.43 2otj n GLY 27 N -1.06 -1.15 0.19 1.49 0.00 -1.25 -2.80 105.19 100.62 2otj n GLY 27 Ca -0.03 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 2otj n GLY 27 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2otj h ASP 28 N 0.00 0.85 0.65 1.61 3.58 -0.80 -2.58 116.42 119.73 2otj h ASP 28 Ca -0.20 -0.68 -0.14 0.00 0.42 0.00 0.00 57.03 56.43 2otj h ASP 28 Cb 1.67 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 42.44 2otj h ASP 28 CO 0.05 1.48 -0.68 0.58 -2.88 0.00 0.00 179.24 177.80 2otj h VAL 29 N 0.37 1.48 -0.54 2.25 2.07 0.97 -2.89 116.25 119.95 2otj h VAL 29 Ca -0.12 -2.30 -0.11 0.00 0.82 0.00 0.00 66.70 65.00 2otj h VAL 29 Cb 1.68 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 33.67 2otj h VAL 29 CO 0.20 0.66 -0.08 0.00 0.02 0.00 0.00 177.57 178.37 2otj h ALA 30 N 1.30 0.74 -0.31 1.67 0.00 -1.47 -1.91 119.26 119.28 2otj h ALA 30 Ca -0.01 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 2otj h ALA 30 Cb 1.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2otj h ALA 30 CO 0.09 0.63 -0.18 0.93 0.00 0.00 0.00 179.25 180.72 2otj h GLU 31 N 0.89 0.57 -0.12 0.00 5.08 -1.37 -1.71 114.58 117.92 2otj h GLU 31 Ca 0.14 -0.20 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 2otj h GLU 31 Cb 0.64 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2otj h GLU 31 CO 0.04 0.73 -0.62 -0.09 -1.00 0.00 0.00 179.01 178.07 2otj h ARG 32 N 0.52 0.42 -0.03 2.33 9.65 -1.31 -2.86 114.38 123.09 2otj h ARG 32 Ca 0.08 -0.30 -0.11 0.00 -1.10 0.00 0.00 59.98 58.56 2otj h ARG 32 Cb 0.61 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.22 2otj h ARG 32 CO 0.04 0.91 -0.49 -0.07 2.80 0.00 0.00 179.97 183.17 2otj h LEU 33 N 0.31 0.09 -1.25 3.80 3.38 -1.08 -2.57 115.31 117.99 2otj h LEU 33 Ca -0.01 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2otj h LEU 33 Cb 1.16 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2otj h LEU 33 CO 0.11 0.57 -0.22 -0.33 0.09 0.00 0.00 178.44 178.65 2otj h GLU 34 N 0.07 0.00 -7.34 1.13 5.08 -1.12 -3.44 114.58 108.95 2otj h GLU 34 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 2otj h GLU 34 Cb 0.89 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.25 2otj h GLU 34 CO 0.07 0.22 0.33 0.15 -1.00 0.00 0.00 179.01 178.78 2otj s LYS 35 N -3.76 2.33 0.42 2.33 1.02 -0.97 -4.97 119.74 116.14 2otj s LYS 35 Ca -0.00 0.94 -0.22 0.00 0.02 0.00 0.00 55.97 56.70 2otj s LYS 35 Cb 0.11 -1.92 -0.13 0.00 -0.52 0.00 0.00 37.83 35.37 2otj s LYS 35 CO 0.63 -1.53 0.51 -2.30 -0.92 0.00 0.00 175.35 171.74 2otj n PRO 36 N -3.42 0.52 -0.28 -1.68 -0.02 -1.26 -4.82 135.00 124.05 2otj n PRO 36 Ca 0.08 0.19 0.05 0.00 -2.02 0.00 0.00 63.50 61.80 2otj n PRO 36 Cb 0.54 -1.46 0.28 0.00 -0.02 0.00 0.00 33.50 32.84 2otj n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2otj h ARG 37 N 0.76 0.91 -0.09 -0.52 3.08 -1.93 -1.38 114.38 115.20 2otj h ARG 37 Ca -0.40 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 59.62 2otj h ARG 37 Cb 1.40 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 2otj h ARG 37 CO 0.51 0.60 0.08 0.07 -1.07 0.00 0.00 179.97 180.17 2otj h ARG 38 N 0.94 0.00 0.00 0.04 0.11 -2.01 -0.75 114.38 112.71 2otj h ARG 38 Ca 0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.46 2otj h ARG 38 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.36 2otj h ARG 38 CO -0.15 0.00 -0.38 1.79 0.10 0.00 0.00 179.97 181.33 2otj h THR 39 N 0.00 0.00 -4.09 0.08 1.35 -1.59 -3.46 112.91 105.19 2otj h THR 39 Ca 0.04 -0.96 -0.51 0.00 -0.55 0.00 0.00 66.41 64.43 2otj h THR 39 Cb 0.21 1.77 0.20 0.00 -1.73 0.00 0.00 68.15 68.61 2otj h THR 39 CO -0.00 0.00 0.14 1.41 -0.25 0.00 0.00 175.52 176.82 2otj n HIS 40 N -2.89 0.47 -2.91 4.73 8.25 -0.29 -4.96 115.22 117.64 2otj n HIS 40 Ca 0.03 0.32 -0.36 0.00 -0.26 0.00 0.00 57.72 57.45 2otj n HIS 40 Cb 0.53 -1.95 -0.06 0.00 1.12 0.00 0.00 29.99 29.63 2otj n HIS 40 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2otj s ALA 41 N -2.60 3.27 -0.42 -1.41 0.00 -1.24 -4.96 121.76 114.40 2otj s ALA 41 Ca 0.67 0.37 0.02 0.00 0.00 0.00 0.00 51.96 53.01 2otj s ALA 41 Cb -0.23 -3.04 0.15 0.00 0.00 0.00 0.00 23.12 20.00 2otj s ALA 41 CO 0.59 0.23 0.27 -1.21 0.00 0.00 0.00 175.76 175.64 2otj s GLU 42 N -2.19 1.00 -0.13 0.00 2.02 -1.25 -0.45 118.70 117.69 2otj s GLU 42 Ca 0.49 -1.87 -0.05 0.00 0.02 0.00 0.00 54.97 53.56 2otj s GLU 42 Cb -0.17 -1.80 -0.04 0.00 0.10 0.00 0.00 34.13 32.23 2otj s GLU 42 CO 0.21 -1.24 0.05 0.08 0.02 0.00 0.00 175.26 174.38 2otj s VAL 43 N 0.43 4.68 0.58 2.63 1.01 -0.57 -4.93 120.40 124.24 2otj s VAL 43 Ca 0.22 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 2otj s VAL 43 Cb -0.16 -3.04 0.04 0.00 0.00 0.00 0.00 36.38 33.23 2otj s VAL 43 CO -0.05 0.55 0.83 0.20 0.00 0.00 0.00 175.10 176.62 2otj s ASN 44 N -0.41 5.17 0.27 3.32 0.01 -1.26 0.89 114.94 122.93 2otj s ASN 44 Ca 0.09 0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.32 2otj s ASN 44 Cb -0.12 -0.91 0.37 0.00 0.41 0.00 0.00 41.25 41.00 2otj s ASN 44 CO 0.02 -1.25 1.73 -0.07 -1.51 0.00 0.00 177.10 176.03 2otj h LEU 45 N -0.08 0.62 -1.97 0.60 3.38 -0.79 -3.02 115.31 114.06 2otj h LEU 45 Ca -0.42 -0.18 0.10 0.00 0.09 0.00 0.00 57.88 57.47 2otj h LEU 45 Cb 1.30 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2otj h LEU 45 CO 0.54 0.79 0.44 1.23 0.09 0.00 0.00 178.44 181.52 2otj h GLY 46 N 0.97 0.00 1.22 0.83 0.00 -1.68 -0.01 103.07 104.40 2otj h GLY 46 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.14 2otj h GLY 46 CO 0.04 0.00 -1.55 -0.09 0.00 0.00 0.00 176.54 174.94 2otj h ARG 47 N 0.00 0.11 -0.31 4.80 2.43 -1.85 -3.06 114.38 116.50 2otj h ARG 47 Ca 0.17 -0.20 -0.17 0.00 -0.81 0.00 0.00 59.98 58.97 2otj h ARG 47 Cb 1.04 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2otj h ARG 47 CO -0.00 0.88 -0.49 0.82 -1.51 0.00 0.00 179.97 179.66 2otj h ILE 48 N 0.03 1.28 0.00 1.20 2.04 -1.18 -2.41 117.51 118.46 2otj h ILE 48 Ca -0.23 -1.68 -0.04 0.00 1.00 0.00 0.00 64.86 63.91 2otj h ILE 48 Cb 1.97 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.61 2otj h ILE 48 CO 0.12 0.55 -0.18 -0.08 0.00 0.00 0.00 178.15 178.56 2otj h GLU 49 N 0.67 0.00 0.01 2.37 4.57 -1.19 -0.01 114.58 121.01 2otj h GLU 49 Ca 0.03 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.96 2otj h GLU 49 Cb 1.09 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.64 2otj h GLU 49 CO 0.11 0.18 -1.32 -0.09 -1.18 0.00 0.00 179.01 176.71 2otj h ARG 50 N 0.00 0.02 -0.00 1.92 2.43 -1.39 -3.40 114.38 113.96 2otj h ARG 50 Ca -0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2otj h ARG 50 Cb 0.33 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2otj h ARG 50 CO 0.02 0.82 -0.05 0.66 -1.51 0.00 0.00 179.97 179.91 2otj n TYR 51 N -3.24 0.00 -3.09 2.20 4.02 -0.93 -5.04 117.16 111.07 2otj n TYR 51 Ca -0.08 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.51 2otj n TYR 51 Cb 0.99 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.28 2otj n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2otj s ALA 52 N -0.76 3.46 0.06 -0.72 0.00 -0.03 -5.07 121.76 118.70 2otj s ALA 52 Ca 0.01 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 51.67 2otj s ALA 52 Cb 0.01 -2.54 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 2otj s ALA 52 CO 0.05 0.14 -0.10 1.14 0.00 0.00 0.00 175.76 176.99 2otj s GLN 53 N -3.62 0.66 0.82 0.00 -2.07 -1.26 -4.93 119.66 109.24 2otj s GLN 53 Ca 0.48 -0.89 -0.13 0.00 -1.82 0.00 0.00 55.36 53.01 2otj s GLN 53 Cb -0.10 -0.46 0.09 0.00 -1.09 0.00 0.00 33.01 31.45 2otj s GLN 53 CO 0.29 0.09 1.19 -1.21 -1.32 0.00 0.00 175.29 174.33 2otj s GLU 54 N -1.88 1.60 -1.75 9.60 2.02 -1.26 -2.92 118.70 124.11 2otj s GLU 54 Ca -0.05 1.69 0.00 0.00 0.02 0.00 0.00 54.97 56.63 2otj s GLU 54 Cb -0.08 -1.78 0.00 0.00 0.10 0.00 0.00 34.13 32.37 2otj s GLU 54 CO 0.01 -2.23 0.00 -0.25 0.02 0.00 0.00 175.26 172.81 2otj n ASP 55 N -3.42 -4.94 -3.66 -0.19 8.00 -1.26 -4.92 116.55 106.16 2otj n ASP 55 Ca 0.13 0.28 -0.27 0.00 0.71 0.00 0.00 54.79 55.64 2otj n ASP 55 Cb 0.51 -4.30 -0.17 0.00 -0.02 0.00 0.00 41.12 37.14 2otj n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2otj s GLU 56 N -4.17 0.31 0.10 -1.24 2.12 -1.15 -4.98 118.70 109.69 2otj s GLU 56 Ca 0.00 -0.25 -0.31 0.00 0.36 0.00 0.00 54.97 54.77 2otj s GLU 56 Cb 0.00 -1.92 -0.08 0.00 0.26 0.00 0.00 34.13 32.39 2otj s GLU 56 CO 0.00 -0.68 1.57 0.99 -0.54 0.00 0.00 175.26 176.60 2otj s THR 57 N 2.02 3.01 -0.24 -1.70 2.01 -0.83 -4.59 115.64 115.32 2otj s THR 57 Ca 0.01 0.58 -0.22 0.00 0.31 0.00 0.00 61.69 62.37 2otj s THR 57 Cb -0.16 -3.37 -0.01 0.00 0.01 0.00 0.00 72.50 68.96 2otj s THR 57 CO -0.10 0.02 0.70 -0.69 -0.69 0.00 0.00 174.62 173.86 2otj s VAL 58 N 2.00 4.94 -0.21 3.82 1.01 -0.17 -0.58 120.40 131.20 2otj s VAL 58 Ca 0.71 1.30 -0.07 0.00 0.00 0.00 0.00 61.98 63.91 2otj s VAL 58 Cb -0.40 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 2otj s VAL 58 CO 0.31 0.00 0.07 -0.69 0.00 0.00 0.00 175.10 174.80 2otj s VAL 59 N 2.53 4.62 -0.26 2.92 1.01 0.14 0.74 120.40 132.09 2otj s VAL 59 Ca 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2otj s VAL 59 Cb -0.15 -3.11 0.04 0.00 0.00 0.00 0.00 36.38 33.15 2otj s VAL 59 CO 0.08 0.40 -0.08 -0.69 0.00 0.00 0.00 175.10 174.82 2otj s VAL 60 N 0.91 2.59 -0.00 2.92 1.01 0.15 -1.16 120.40 126.81 2otj s VAL 60 Ca 0.04 -1.30 -0.00 0.00 0.00 0.00 0.00 61.98 60.71 2otj s VAL 60 Cb -0.14 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 2otj s VAL 60 CO 0.03 0.09 2.06 -0.81 0.00 0.00 0.00 175.10 176.47 2otj n PRO 61 N 4.58 1.04 0.00 2.72 -0.04 -1.26 -3.61 135.00 138.43 2otj n PRO 61 Ca -0.15 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2otj n PRO 61 Cb 0.45 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 2otj n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2otj n GLY 62 N 1.54 2.58 3.05 0.55 0.00 -1.26 -3.66 105.19 107.99 2otj n GLY 62 Ca 0.02 0.13 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 2otj n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2otj s LYS 63 N 3.74 0.64 -0.18 1.61 2.20 0.40 -1.18 119.74 126.98 2otj s LYS 63 Ca 0.00 -0.55 -0.07 0.00 -0.36 0.00 0.00 55.97 54.99 2otj s LYS 63 Cb 0.00 -0.57 -0.04 0.00 -1.51 0.00 0.00 37.83 35.71 2otj s LYS 63 CO 0.00 0.14 0.06 0.08 -0.36 0.00 0.00 175.35 175.27 2otj s VAL 64 N -0.73 4.78 0.19 4.02 1.01 -0.29 -1.51 120.40 127.86 2otj s VAL 64 Ca -0.02 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.00 2otj s VAL 64 Cb -0.06 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 2otj s VAL 64 CO 0.00 0.47 -0.04 -0.76 0.00 0.00 0.00 175.10 174.78 2otj s LEU 65 N 0.28 3.17 0.00 3.92 1.43 0.26 -1.15 118.68 126.59 2otj s LEU 65 Ca 0.03 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2otj s LEU 65 Cb -0.12 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.28 2otj s LEU 65 CO 0.00 0.09 0.56 0.61 0.23 0.00 0.00 176.35 177.84 2otj n GLY 66 N -0.14 1.45 3.82 -3.19 0.00 -1.26 -2.18 105.19 103.69 2otj n GLY 66 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 2otj n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2otj s SER 67 N 0.19 7.04 0.00 1.61 0.01 -1.26 -4.81 113.70 116.48 2otj s SER 67 Ca 0.00 1.50 0.00 0.00 1.31 0.00 0.00 55.95 58.76 2otj s SER 67 Cb 0.00 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2otj s SER 67 CO 0.00 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.18 2otj n GLY 68 N 0.31 -1.12 3.61 3.44 0.00 -1.26 -1.60 105.19 108.56 2otj n GLY 68 Ca 0.01 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 2otj n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2otj s VAL 69 N -1.01 3.81 -0.15 1.61 1.01 -1.26 -4.63 120.40 119.77 2otj s VAL 69 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2otj s VAL 69 Cb 0.00 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.80 2otj s VAL 69 CO 0.00 0.53 -0.13 -0.22 0.00 0.00 0.00 175.10 175.27 2otj s LEU 70 N -1.05 1.71 -0.12 3.92 2.96 -1.26 -4.38 118.68 120.46 2otj s LEU 70 Ca 0.14 -0.52 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 2otj s LEU 70 Cb -0.11 -1.16 -0.10 0.00 0.50 0.00 0.00 46.19 45.32 2otj s LEU 70 CO 0.04 -0.07 -0.05 0.00 -1.32 0.00 0.00 176.35 174.94 2otj n GLN 71 N 4.78 1.17 -1.69 1.98 6.02 -1.26 -4.79 117.38 123.59 2otj n GLN 71 Ca -0.16 0.04 -0.43 0.00 -0.01 0.00 0.00 57.00 56.44 2otj n GLN 71 Cb 0.50 -1.27 -0.01 0.00 1.02 0.00 0.00 30.24 30.48 2otj n GLN 71 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2otj n LYS 72 N -2.67 2.08 -2.23 -1.09 5.02 -1.26 -4.88 118.16 113.12 2otj n LYS 72 Ca -0.21 0.73 -0.42 0.00 -2.02 0.00 0.00 58.31 56.39 2otj n LYS 72 Cb 0.79 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 2otj n LYS 72 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2otj n ASP 73 N 0.78 4.85 -4.70 4.39 2.03 -1.25 -4.45 116.55 118.20 2otj n ASP 73 Ca 0.05 -3.06 -0.30 0.00 0.52 0.00 0.00 54.79 52.00 2otj n ASP 73 Cb 0.36 -1.52 -0.08 0.00 -0.72 0.00 0.00 41.12 39.17 2otj n ASP 73 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2otj s VAL 74 N 0.97 4.07 -0.44 5.18 -7.23 -1.26 -4.61 120.40 117.08 2otj s VAL 74 Ca 0.41 -0.98 -0.19 0.00 -1.81 0.00 0.00 61.98 59.41 2otj s VAL 74 Cb 0.10 -2.95 0.03 0.00 0.56 0.00 0.00 36.38 34.12 2otj s VAL 74 CO -0.01 0.11 0.54 -0.89 -0.31 0.00 0.00 175.10 174.53 2otj s THR 75 N -1.34 4.97 -0.18 5.32 2.01 -1.26 -2.22 115.64 122.94 2otj s THR 75 Ca 0.26 -0.24 -0.14 0.00 0.31 0.00 0.00 61.69 61.88 2otj s THR 75 Cb -0.12 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 2otj s THR 75 CO 0.19 -0.55 0.31 -0.69 -0.69 0.00 0.00 174.62 173.19 2otj s VAL 76 N 2.43 5.28 -0.17 3.82 1.01 -0.18 -1.00 120.40 131.59 2otj s VAL 76 Ca 0.16 0.57 -0.01 0.00 0.00 0.00 0.00 61.98 62.70 2otj s VAL 76 Cb -0.17 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 2otj s VAL 76 CO 0.15 0.35 -0.13 0.00 0.00 0.00 0.00 175.10 175.47 2otj s ALA 77 N 0.74 2.57 0.23 5.51 0.00 0.23 -0.38 121.76 130.65 2otj s ALA 77 Ca 0.17 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.00 2otj s ALA 77 Cb -0.13 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 2otj s ALA 77 CO 0.05 -0.14 0.26 0.00 0.00 0.00 0.00 175.76 175.93 2otj s ALA 78 N 0.99 0.76 0.20 0.00 0.00 -1.04 0.30 121.76 122.97 2otj s ALA 78 Ca -0.02 -1.46 0.12 0.00 0.00 0.00 0.00 51.96 50.60 2otj s ALA 78 Cb -0.15 1.29 0.30 0.00 0.00 0.00 0.00 23.12 24.56 2otj s ALA 78 CO -0.02 -0.68 1.57 0.28 0.00 0.00 0.00 175.76 176.90 2otj h VAL 79 N 2.46 1.34 -1.54 0.00 2.07 -1.21 -2.35 116.25 117.02 2otj h VAL 79 Ca -0.32 -2.24 0.12 0.00 0.82 0.00 0.00 66.70 65.07 2otj h VAL 79 Cb 1.25 2.25 -0.23 0.00 -1.52 0.00 0.00 31.29 33.04 2otj h VAL 79 CO 0.46 0.62 0.62 -0.62 0.02 0.00 0.00 177.57 178.66 2otj s ASP 80 N -6.71 -0.31 0.08 0.57 -1.08 -1.19 -4.85 116.67 103.18 2otj s ASP 80 Ca -0.00 0.30 0.08 0.00 -0.52 0.00 0.00 52.55 52.41 2otj s ASP 80 Cb 0.11 0.26 -0.03 0.00 -1.46 0.00 0.00 42.92 41.80 2otj s ASP 80 CO 0.76 -0.31 -0.22 -0.36 0.52 0.00 0.00 175.17 175.55 2otj s PHE 81 N -1.32 1.94 0.84 -5.34 0.40 -1.26 -1.14 117.98 112.11 2otj s PHE 81 Ca 0.01 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 55.83 2otj s PHE 81 Cb -0.01 -1.11 0.10 0.00 0.51 0.00 0.00 43.02 42.52 2otj s PHE 81 CO -0.01 0.18 1.10 -1.54 0.70 0.00 0.00 175.22 175.65 2otj s SER 82 N -1.61 4.04 0.14 1.36 1.04 -0.30 -4.78 113.70 113.59 2otj s SER 82 Ca 0.09 1.30 -0.21 0.00 0.48 0.00 0.00 55.95 57.61 2otj s SER 82 Cb -0.10 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.03 2otj s SER 82 CO 0.03 -2.25 1.67 1.23 0.98 0.00 0.00 173.24 174.90 2otj h GLY 83 N -1.29 0.00 1.33 7.32 0.00 -2.00 -2.02 103.07 106.42 2otj h GLY 83 Ca -0.48 0.17 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 2otj h GLY 83 CO 0.58 -0.15 -0.03 -0.84 0.00 0.00 0.00 176.54 176.10 2otj h THR 84 N -0.14 1.25 0.30 4.70 2.02 -1.96 -2.94 112.91 116.14 2otj h THR 84 Ca 0.12 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 2otj h THR 84 Cb 0.31 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2otj h THR 84 CO -0.28 0.37 -0.15 0.00 0.37 0.00 0.00 175.52 175.83 2otj h ALA 85 N 1.22 -0.41 -0.09 6.16 0.00 -1.76 -1.26 119.26 123.12 2otj h ALA 85 Ca 0.14 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2otj h ALA 85 Cb 0.50 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2otj h ALA 85 CO 0.03 -0.67 0.13 1.49 0.00 0.00 0.00 179.25 180.22 2otj h GLU 86 N -0.53 0.00 0.00 0.00 4.81 -1.36 -1.25 114.58 116.25 2otj h GLU 86 Ca -0.04 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2otj h GLU 86 Cb 0.39 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 2otj h GLU 86 CO 0.07 0.00 -0.07 1.15 -0.73 0.00 0.00 179.01 179.43 2otj h THR 87 N 0.00 0.44 -0.72 0.32 2.02 -1.28 -2.99 112.91 110.70 2otj h THR 87 Ca 0.04 -1.34 0.21 0.00 0.77 0.00 0.00 66.41 66.09 2otj h THR 87 Cb 0.30 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 2otj h THR 87 CO -0.00 0.15 0.52 0.11 0.37 0.00 0.00 175.52 176.66 2otj h LYS 88 N -1.00 0.02 0.12 6.66 1.57 -0.82 -1.81 116.57 121.32 2otj h LYS 88 Ca -0.01 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2otj h LYS 88 Cb 0.30 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2otj h LYS 88 CO -0.01 0.01 -0.06 0.82 -0.57 0.00 0.00 179.45 179.65 2otj h ILE 89 N 0.02 0.97 0.00 1.86 2.04 -1.36 -3.25 117.51 117.80 2otj h ILE 89 Ca 0.34 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.93 2otj h ILE 89 Cb 1.34 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 2otj h ILE 89 CO -0.01 0.26 0.13 0.44 0.00 0.00 0.00 178.15 178.97 2otj h ASP 90 N -0.85 0.00 -0.09 1.72 3.32 -1.18 0.86 116.42 120.20 2otj h ASP 90 Ca -0.02 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.80 2otj h ASP 90 Cb 0.55 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.12 2otj h ASP 90 CO 0.03 0.00 -0.87 1.56 -1.72 0.00 0.00 179.24 178.24 2otj h GLN 91 N 0.00 0.75 0.00 3.56 4.20 -1.52 -3.37 115.11 118.74 2otj h GLN 91 Ca 0.00 -0.68 0.00 0.00 0.06 0.00 0.00 58.65 58.03 2otj h GLN 91 Cb 0.26 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2otj h GLN 91 CO 0.00 1.28 -0.82 1.33 -0.67 0.00 0.00 178.83 179.95 2otj n VAL 92 N -3.92 0.00 0.00 -0.54 0.24 -0.31 -5.08 118.33 108.71 2otj n VAL 92 Ca -0.09 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 2otj n VAL 92 Cb 0.79 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 2otj n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2otj n GLY 93 N 1.54 4.10 3.06 7.63 0.00 0.28 -3.91 105.19 117.90 2otj n GLY 93 Ca 0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 2otj n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2otj s GLU 94 N 4.40 0.21 -0.18 1.61 2.12 -0.94 -4.22 118.70 121.69 2otj s GLU 94 Ca 0.00 0.62 -0.17 0.00 0.36 0.00 0.00 54.97 55.78 2otj s GLU 94 Cb 0.00 -0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.27 2otj s GLU 94 CO 0.00 -0.20 0.45 0.00 -0.54 0.00 0.00 175.26 174.97 2otj s ALA 95 N 1.62 3.54 0.02 6.30 0.00 -1.26 -1.01 121.76 130.97 2otj s ALA 95 Ca -0.06 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 51.53 2otj s ALA 95 Cb -0.11 -2.68 -0.02 0.00 0.00 0.00 0.00 23.12 20.32 2otj s ALA 95 CO -0.09 -0.26 -0.13 0.08 0.00 0.00 0.00 175.76 175.36 2otj s VAL 96 N 1.22 1.00 0.43 0.00 1.01 0.49 -4.96 120.40 119.59 2otj s VAL 96 Ca 0.22 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 61.16 2otj s VAL 96 Cb -0.15 -0.89 -0.09 0.00 0.00 0.00 0.00 36.38 35.25 2otj s VAL 96 CO 0.09 0.08 1.03 -0.94 0.00 0.00 0.00 175.10 175.35 2otj s SER 97 N -0.84 6.64 0.60 3.32 1.04 -1.26 -2.51 113.70 120.69 2otj s SER 97 Ca 0.02 1.95 0.32 0.00 0.48 0.00 0.00 55.95 58.72 2otj s SER 97 Cb -0.07 -2.57 1.91 0.00 0.10 0.00 0.00 66.02 65.39 2otj s SER 97 CO 0.01 -0.57 2.26 0.25 0.98 0.00 0.00 173.24 176.16 2otj h LEU 98 N 2.10 0.00 -0.77 2.42 5.85 -1.75 -0.77 115.31 122.38 2otj h LEU 98 Ca -0.49 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.12 2otj h LEU 98 Cb 1.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2otj h LEU 98 CO 0.61 0.00 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.16 2otj h GLU 99 N 0.00 0.69 -0.01 1.25 3.07 -1.91 -2.52 114.58 115.15 2otj h GLU 99 Ca 0.01 -0.27 -0.02 0.00 -0.50 0.00 0.00 59.36 58.58 2otj h GLU 99 Cb 0.04 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 2otj h GLU 99 CO -0.00 0.85 -0.08 1.96 -1.40 0.00 0.00 179.01 180.34 2otj h GLN 100 N 0.60 0.06 -0.76 2.33 4.20 -1.53 -3.27 115.11 116.74 2otj h GLN 100 Ca 0.09 -0.06 0.17 0.00 0.06 0.00 0.00 58.65 58.91 2otj h GLN 100 Cb 0.71 0.02 -0.13 0.00 0.30 0.00 0.00 27.48 28.37 2otj h GLN 100 CO 0.05 0.79 0.02 0.00 -0.67 0.00 0.00 178.83 179.02 2otj h ALA 101 N 0.28 0.81 -0.76 3.87 0.00 -1.39 0.48 119.26 122.55 2otj h ALA 101 Ca -0.01 0.24 0.08 0.00 0.00 0.00 0.00 54.91 55.22 2otj h ALA 101 Cb 0.81 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 2otj h ALA 101 CO 0.02 -0.42 0.50 0.82 0.00 0.00 0.00 179.25 180.16 2otj h ILE 102 N 0.11 0.98 0.05 0.00 2.04 -1.52 0.34 117.51 119.50 2otj h ILE 102 Ca 0.42 -0.25 -0.11 0.00 1.00 0.00 0.00 64.86 65.92 2otj h ILE 102 Cb 0.74 0.19 0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2otj h ILE 102 CO -0.67 0.13 -0.44 -0.08 0.00 0.00 0.00 178.15 177.09 2otj h GLU 103 N 0.73 0.22 0.00 2.37 4.81 -0.21 -2.31 114.58 120.18 2otj h GLU 103 Ca 0.34 -0.30 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2otj h GLU 103 Cb 0.37 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2otj h GLU 103 CO -0.12 1.08 -0.21 -0.91 -0.73 0.00 0.00 179.01 178.11 2otj h ASN 104 N -0.50 0.00 -1.36 1.04 2.35 -0.48 -3.35 115.58 113.28 2otj h ASN 104 Ca -0.07 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.24 2otj h ASN 104 Cb 1.27 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 39.33 2otj h ASN 104 CO 0.09 0.21 -0.92 -3.20 -1.65 0.00 0.00 177.43 171.96 2otj n ASN 105 N -3.81 -0.75 0.29 5.81 5.15 0.11 -4.98 115.26 117.09 2otj n ASN 105 Ca -0.02 -2.93 0.17 0.00 -0.60 0.00 0.00 54.58 51.20 2otj n ASN 105 Cb 0.31 0.16 0.95 0.00 -0.53 0.00 0.00 39.78 40.67 2otj n ASN 105 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2otj h PRO 106 N 3.88 0.00 -0.00 1.20 0.13 -1.56 0.74 132.00 136.39 2otj h PRO 106 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2otj h PRO 106 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2otj h PRO 106 CO 0.41 0.00 -0.21 0.39 -0.23 0.00 0.00 178.00 178.36 2otj n GLU 107 N -3.71 0.01 -3.50 0.86 4.71 -1.26 -3.86 120.64 113.89 2otj n GLU 107 Ca -0.02 -0.00 -0.22 0.00 -0.01 0.00 0.00 57.16 56.90 2otj n GLU 107 Cb 0.12 -1.50 0.04 0.00 -1.01 0.00 0.00 31.44 29.09 2otj n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2otj n GLY 108 N 1.50 -1.11 3.63 0.62 0.00 0.25 -2.70 105.19 107.38 2otj n GLY 108 Ca 0.06 0.50 -0.27 0.00 0.00 0.00 0.00 46.02 46.31 2otj n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2otj s SER 109 N -3.32 4.59 -1.23 1.61 1.04 -1.26 -4.69 113.70 110.43 2otj s SER 109 Ca 0.35 -0.42 -0.08 0.00 0.48 0.00 0.00 55.95 56.28 2otj s SER 109 Cb -0.10 -0.92 -0.01 0.00 0.10 0.00 0.00 66.02 65.08 2otj s SER 109 CO 0.82 0.12 0.71 1.41 0.98 0.00 0.00 173.24 177.28 2otj n HIS 110 N 0.13 -1.93 -3.89 5.02 8.25 -1.26 -4.86 115.22 116.68 2otj n HIS 110 Ca -0.11 0.69 -0.21 0.00 -0.26 0.00 0.00 57.72 57.84 2otj n HIS 110 Cb 0.54 -3.94 -0.17 0.00 1.12 0.00 0.00 29.99 27.55 2otj n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2otj s VAL 111 N -3.61 0.34 -0.22 1.59 0.11 -1.26 -1.96 120.40 115.39 2otj s VAL 111 Ca 0.22 0.07 -0.12 0.00 -2.93 0.00 0.00 61.98 59.22 2otj s VAL 111 Cb -0.07 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 34.28 2otj s VAL 111 CO 0.83 0.22 0.25 -0.60 -3.33 0.00 0.00 175.10 172.47 2otj s ARG 112 N 1.53 4.12 -0.07 1.54 6.06 0.25 -4.90 118.95 127.47 2otj s ARG 112 Ca -0.02 -0.09 -0.25 0.00 -2.50 0.00 0.00 55.73 52.87 2otj s ARG 112 Cb -0.13 -3.53 -0.03 0.00 0.06 0.00 0.00 34.95 31.32 2otj s ARG 112 CO -0.03 0.04 0.77 0.08 -2.50 0.00 0.00 175.30 173.66 2otj s VAL 113 N 1.10 4.99 -0.04 7.11 1.01 -1.26 0.25 120.40 133.55 2otj s VAL 113 Ca 0.12 1.58 0.02 0.00 0.00 0.00 0.00 61.98 63.70 2otj s VAL 113 Cb -0.14 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 32.15 2otj s VAL 113 CO 0.05 0.19 -0.08 -0.63 0.00 0.00 0.00 175.10 174.64 2otj s ILE 114 N 1.09 0.74 0.00 2.22 -1.09 -0.31 -4.93 121.20 118.92 2otj s ILE 114 Ca 0.40 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 2otj s ILE 114 Cb -0.18 -0.70 0.00 0.00 -1.58 0.00 0.00 42.46 40.00 2otj s ILE 114 CO 0.19 0.25 0.00 -2.11 -1.23 0.00 0.00 174.94 172.04