#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crq n SER 2 N 0.00 0.76 -4.62 1.61 2.88 -1.26 -4.89 113.62 108.11 2crq n SER 2 Ca 0.00 0.47 -0.34 0.00 -1.33 0.00 0.00 58.87 57.67 2crq n SER 2 Cb 0.00 -0.95 -0.10 0.00 -0.75 0.00 0.00 64.21 62.41 2crq n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2crq s SER 3 N 7.21 5.54 0.00 -3.46 0.01 -1.26 -4.96 113.70 116.78 2crq s SER 3 Ca 1.24 0.05 0.00 0.00 1.31 0.00 0.00 55.95 58.55 2crq s SER 3 Cb -1.34 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 62.94 2crq s SER 3 CO 0.58 0.17 0.00 0.61 0.41 0.00 0.00 173.24 175.01 2crq n GLY 4 N 3.58 2.86 2.83 3.44 0.00 -1.26 -5.13 105.19 111.51 2crq n GLY 4 Ca -0.17 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.66 2crq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crq s SER 5 N 0.00 2.12 0.01 1.61 0.15 -1.26 -5.13 113.70 111.19 2crq s SER 5 Ca 0.00 -0.33 0.04 0.00 0.70 0.00 0.00 55.95 56.36 2crq s SER 5 Cb 0.00 -0.65 -0.01 0.00 -1.71 0.00 0.00 66.02 63.64 2crq s SER 5 CO 0.00 -0.18 -0.11 -0.55 1.20 0.00 0.00 173.24 173.59 2crq s SER 6 N 1.83 1.34 0.00 5.45 0.15 -1.26 -5.04 113.70 116.17 2crq s SER 6 Ca 0.04 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.41 2crq s SER 6 Cb -0.13 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 2crq s SER 6 CO -0.07 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2crq n GLY 7 N 2.53 -1.67 0.01 9.45 0.00 -1.26 -4.95 105.19 109.29 2crq n GLY 7 Ca -0.15 0.62 0.07 0.00 0.00 0.00 0.00 46.02 46.56 2crq n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crq n PRO 8 N -0.33 0.01 -0.32 1.61 -0.04 -1.26 -3.74 135.00 130.93 2crq n PRO 8 Ca 0.00 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 63.83 2crq n PRO 8 Cb 0.00 -1.52 0.22 0.00 -0.04 0.00 0.00 33.50 32.16 2crq n PRO 8 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2crq n LYS 9 N -1.53 -0.08 -4.11 0.54 4.76 -1.26 -4.43 118.16 112.05 2crq n LYS 9 Ca 0.03 1.37 -0.15 0.00 -2.87 0.00 0.00 58.31 56.70 2crq n LYS 9 Cb 0.17 -2.14 -0.12 0.00 -1.84 0.00 0.00 35.03 31.10 2crq n LYS 9 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2crq s THR 10 N -5.96 0.63 0.49 -0.18 -4.23 -1.25 -5.15 115.64 99.98 2crq s THR 10 Ca -0.12 -0.97 -0.15 0.00 -1.18 0.00 0.00 61.69 59.26 2crq s THR 10 Cb 0.26 -0.65 -0.07 0.00 1.34 0.00 0.00 72.50 73.37 2crq s THR 10 CO 0.71 -0.26 0.93 -0.83 -0.54 0.00 0.00 174.62 174.62 2crq s GLY 11 N -1.35 2.02 0.00 3.99 0.00 -1.26 -4.95 107.32 105.77 2crq s GLY 11 Ca -0.07 0.07 0.14 0.00 0.00 0.00 0.00 44.72 44.87 2crq s GLY 11 CO 0.01 0.33 1.44 -1.55 0.00 0.00 0.00 173.10 173.32 2crq n PRO 12 N -1.53 0.09 -3.70 2.90 -0.04 -1.26 -4.68 135.00 126.79 2crq n PRO 12 Ca 0.05 0.21 -0.12 0.00 -0.04 0.00 0.00 63.50 63.61 2crq n PRO 12 Cb 0.54 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 2crq n PRO 12 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2crq s THR 13 N -2.82 -0.01 -0.27 0.52 2.01 -1.26 -5.16 115.64 108.64 2crq s THR 13 Ca 0.10 0.03 -0.26 0.00 0.31 0.00 0.00 61.69 61.86 2crq s THR 13 Cb 0.10 -0.70 0.16 0.00 0.01 0.00 0.00 72.50 72.07 2crq s THR 13 CO 0.25 0.01 1.24 -0.32 -0.69 0.00 0.00 174.62 175.11 2crq s MET 14 N 0.70 0.27 -0.01 4.92 0.00 -1.26 -5.17 119.30 118.74 2crq s MET 14 Ca -0.04 0.23 0.01 0.00 0.00 0.00 0.00 55.69 55.90 2crq s MET 14 Cb -0.05 0.13 0.01 0.00 0.00 0.00 0.00 34.83 34.92 2crq s MET 14 CO -0.05 -0.05 -0.03 0.99 0.00 0.00 0.00 175.02 175.88 2crq s THR 15 N -0.23 0.29 0.23 10.11 2.01 -1.26 -4.32 115.64 122.47 2crq s THR 15 Ca 0.05 -0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.02 2crq s THR 15 Cb -0.04 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.15 2crq s THR 15 CO -0.09 0.11 0.12 -0.54 -0.69 0.00 0.00 174.62 173.53 2crq s LYS 16 N 0.23 2.73 0.01 4.92 -0.14 -0.56 -5.02 119.74 121.91 2crq s LYS 16 Ca -0.02 -1.09 0.01 0.00 -1.36 0.00 0.00 55.97 53.50 2crq s LYS 16 Cb -0.05 -2.47 -0.01 0.00 -1.68 0.00 0.00 37.83 33.61 2crq s LYS 16 CO -0.00 0.42 -0.03 -1.21 -0.76 0.00 0.00 175.35 173.76 2crq s GLU 17 N -3.54 0.28 -0.08 1.68 8.01 -1.26 -1.76 118.70 122.02 2crq s GLU 17 Ca 0.31 -0.32 -0.03 0.00 0.01 0.00 0.00 54.97 54.94 2crq s GLU 17 Cb -0.08 -0.14 0.05 0.00 -4.31 0.00 0.00 34.13 29.65 2crq s GLU 17 CO 0.23 0.03 0.16 -1.17 0.01 0.00 0.00 175.26 174.52 2crq s LEU 18 N -0.64 0.15 0.01 1.80 2.96 -0.41 -4.92 118.68 117.62 2crq s LEU 18 Ca -0.05 0.33 0.06 0.00 -0.22 0.00 0.00 54.13 54.26 2crq s LEU 18 Cb -0.05 0.32 -0.02 0.00 0.50 0.00 0.00 46.19 46.94 2crq s LEU 18 CO -0.00 -0.22 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.93 2crq s VAL 19 N 1.97 1.55 -0.26 1.68 1.01 -1.26 -0.80 120.40 124.28 2crq s VAL 19 Ca -0.01 -0.95 -0.26 0.00 0.00 0.00 0.00 61.98 60.76 2crq s VAL 19 Cb -0.12 -1.31 0.14 0.00 0.00 0.00 0.00 36.38 35.09 2crq s VAL 19 CO -0.06 0.34 1.12 0.72 0.00 0.00 0.00 175.10 177.22 2crq s PHE 20 N -0.58 -0.36 0.32 5.22 -0.12 -0.92 -4.99 117.98 116.55 2crq s PHE 20 Ca 0.07 0.82 -0.28 0.00 -0.05 0.00 0.00 56.93 57.49 2crq s PHE 20 Cb -0.08 0.41 -0.10 0.00 -0.63 0.00 0.00 43.02 42.62 2crq s PHE 20 CO 0.00 -0.20 1.18 -1.54 -0.05 0.00 0.00 175.22 174.62 2crq s SER 21 N -0.10 6.96 0.55 1.98 1.04 -1.26 -2.20 113.70 120.68 2crq s SER 21 Ca 0.03 2.43 0.23 0.00 0.48 0.00 0.00 55.95 59.13 2crq s SER 21 Cb -0.04 -2.63 1.28 0.00 0.10 0.00 0.00 66.02 64.73 2crq s SER 21 CO -0.07 -0.37 1.69 -1.28 0.98 0.00 0.00 173.24 174.19 2crq h SER 22 N 3.45 0.00 0.00 7.02 0.87 -1.83 0.64 113.55 123.69 2crq h SER 22 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2crq h SER 22 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2crq h SER 22 CO 0.66 0.00 0.10 -1.13 -0.53 0.00 0.00 176.83 175.93 2crq h ASN 23 N 0.00 0.00 -1.89 6.23 -1.24 -1.89 -3.43 115.58 113.36 2crq h ASN 23 Ca 0.00 0.00 -0.65 0.00 0.71 0.00 0.00 56.30 56.36 2crq h ASN 23 Cb 0.68 0.00 0.06 0.00 0.73 0.00 0.00 38.32 39.79 2crq h ASN 23 CO 0.00 0.00 0.45 0.00 -1.29 0.00 0.00 177.43 176.59 2crq n ILE 24 N -2.96 0.32 -2.38 2.57 3.06 0.21 -4.96 119.36 115.22 2crq n ILE 24 Ca -0.03 -0.08 -0.25 0.00 -2.50 0.00 0.00 62.75 59.90 2crq n ILE 24 Cb 0.16 -0.95 0.09 0.00 0.54 0.00 0.00 39.64 39.49 2crq n ILE 24 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 2crq s GLY 25 N 0.37 1.75 0.24 4.50 0.00 -1.26 -4.86 107.32 108.07 2crq s GLY 25 Ca 0.79 -1.31 -0.06 0.00 0.00 0.00 0.00 44.72 44.15 2crq s GLY 25 CO 0.48 -0.82 1.83 -1.61 0.00 0.00 0.00 173.10 172.97 2crq h GLN 26 N -0.58 1.15 -0.32 2.90 5.75 -1.97 0.01 115.11 122.05 2crq h GLN 26 Ca -0.41 -0.17 0.07 0.00 -0.15 0.00 0.00 58.65 57.98 2crq h GLN 26 Cb 1.29 -0.20 -0.08 0.00 1.07 0.00 0.00 27.48 29.55 2crq h GLN 26 CO 0.49 0.90 -0.27 0.45 -2.65 0.00 0.00 178.83 177.75 2crq h HIS 27 N 1.14 -0.73 0.20 3.99 3.86 -2.01 -0.20 115.15 121.40 2crq h HIS 27 Ca 0.27 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.52 2crq h HIS 27 Cb 0.14 0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.98 2crq h HIS 27 CO 0.02 -0.34 -0.09 -0.44 0.86 0.00 0.00 177.93 177.93 2crq h ASP 28 N -0.24 -0.22 -1.10 2.45 5.19 -1.91 -3.26 116.42 117.32 2crq h ASP 28 Ca 0.16 -0.27 0.44 0.00 -0.62 0.00 0.00 57.03 56.73 2crq h ASP 28 Cb 0.49 0.06 -0.17 0.00 0.18 0.00 0.00 39.33 39.89 2crq h ASP 28 CO -0.46 0.32 0.64 -0.11 -3.12 0.00 0.00 179.24 176.50 2crq n LEU 29 N -4.95 0.31 -0.23 1.55 7.94 -0.02 0.81 117.00 122.40 2crq n LEU 29 Ca -0.07 1.58 0.04 0.00 -1.11 0.00 0.00 56.01 56.45 2crq n LEU 29 Cb 0.24 -0.77 0.15 0.00 0.53 0.00 0.00 43.42 43.57 2crq n LEU 29 CO 0.22 -1.75 0.88 -0.78 -1.11 0.00 0.00 177.39 174.85 2crq h ASP 30 N 0.00 -0.15 -0.16 1.96 3.58 -1.07 -0.58 116.42 120.01 2crq h ASP 30 Ca 0.86 0.16 -0.21 0.00 0.42 0.00 0.00 57.03 58.25 2crq h ASP 30 Cb 2.41 0.25 0.01 0.00 1.72 0.00 0.00 39.33 43.71 2crq h ASP 30 CO -0.68 -0.09 -0.72 0.74 -2.88 0.00 0.00 179.24 175.61 2crq h THR 31 N 0.19 1.28 -0.68 2.25 2.02 0.25 -3.21 112.91 115.00 2crq h THR 31 Ca 0.38 -1.92 0.14 0.00 0.77 0.00 0.00 66.41 65.78 2crq h THR 31 Cb 0.65 1.90 -0.10 0.00 -1.74 0.00 0.00 68.15 68.86 2crq h THR 31 CO -0.54 0.61 0.15 0.11 0.37 0.00 0.00 175.52 176.22 2crq h LYS 32 N 0.56 0.25 0.70 6.66 1.79 -0.71 -1.50 116.57 124.31 2crq h LYS 32 Ca -0.04 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 2crq h LYS 32 Cb 1.34 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 2crq h LYS 32 CO 0.15 0.16 -0.36 0.77 -1.08 0.00 0.00 179.45 179.09 2crq h SER 33 N 0.26 -0.88 -0.59 0.86 0.02 -1.33 -2.40 113.55 109.49 2crq h SER 33 Ca 0.37 0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.46 2crq h SER 33 Cb 0.60 0.24 -0.11 0.00 0.14 0.00 0.00 62.40 63.27 2crq h SER 33 CO -0.47 -0.60 -0.35 0.11 -1.14 0.00 0.00 176.83 174.37 2crq h LYS 34 N -0.98 -0.17 -0.45 3.45 1.57 -1.42 0.11 116.57 118.69 2crq h LYS 34 Ca -0.09 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2crq h LYS 34 Cb 0.76 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 33.02 2crq h LYS 34 CO 0.14 -0.11 -0.18 0.37 -0.57 0.00 0.00 179.45 179.10 2crq h GLN 35 N -0.17 -0.08 -0.18 3.15 5.75 -1.20 -1.56 115.11 120.83 2crq h GLN 35 Ca 0.22 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.75 2crq h GLN 35 Cb 0.55 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 2crq h GLN 35 CO -0.68 -0.05 0.06 0.82 -2.65 0.00 0.00 178.83 176.33 2crq h ILE 36 N -0.08 0.96 -0.54 2.39 2.04 -0.56 -2.97 117.51 118.75 2crq h ILE 36 Ca 0.22 -0.05 0.08 0.00 1.00 0.00 0.00 64.86 66.11 2crq h ILE 36 Cb 0.42 0.80 -0.10 0.00 -0.74 0.00 0.00 36.82 37.20 2crq h ILE 36 CO -0.51 0.03 -0.45 -0.61 0.00 0.00 0.00 178.15 176.61 2crq h GLN 37 N 0.14 -0.24 -1.11 2.37 4.15 0.12 0.38 115.11 120.91 2crq h GLN 37 Ca 0.08 0.02 0.33 0.00 0.77 0.00 0.00 58.65 59.84 2crq h GLN 37 Cb 0.05 0.06 -0.12 0.00 0.21 0.00 0.00 27.48 27.67 2crq h GLN 37 CO -0.08 -0.16 0.70 1.96 -1.93 0.00 0.00 178.83 179.32 2crq h GLN 38 N -0.25 0.29 0.14 1.69 1.08 -1.26 0.25 115.11 117.05 2crq h GLN 38 Ca 0.16 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 2crq h GLN 38 Cb 0.57 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2crq h GLN 38 CO -0.67 0.19 -0.07 -1.49 -0.95 0.00 0.00 178.83 175.85 2crq h TRP 39 N 0.30 -0.18 -0.84 2.96 6.55 -0.30 -3.21 115.95 121.23 2crq h TRP 39 Ca 0.69 -0.00 0.21 0.00 0.95 0.00 0.00 58.89 60.74 2crq h TRP 39 Cb 1.85 0.06 -0.05 0.00 -0.86 0.00 0.00 29.16 30.16 2crq h TRP 39 CO -0.01 0.28 0.58 0.82 -1.05 0.00 0.00 178.44 179.07 2crq h ILE 40 N -0.81 0.65 -0.58 1.49 1.08 0.57 -1.14 117.51 118.77 2crq h ILE 40 Ca -0.02 -0.07 0.12 0.00 -0.39 0.00 0.00 64.86 64.50 2crq h ILE 40 Cb 0.54 0.41 -0.10 0.00 -3.07 0.00 0.00 36.82 34.60 2crq h ILE 40 CO 0.03 0.04 -0.03 -0.33 -0.69 0.00 0.00 178.15 177.17 2crq h GLU 41 N 0.21 0.09 -1.17 2.37 5.08 -1.03 0.26 114.58 120.40 2crq h GLU 41 Ca 0.42 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.60 2crq h GLU 41 Cb 1.32 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.46 2crq h GLU 41 CO -0.09 0.06 0.22 1.63 -1.00 0.00 0.00 179.01 179.83 2crq n LYS 42 N -5.30 1.43 -4.09 2.33 5.02 -0.45 -4.82 118.16 112.28 2crq n LYS 42 Ca 0.08 -0.97 -0.31 0.00 -2.02 0.00 0.00 58.31 55.09 2crq n LYS 42 Cb 0.32 -1.38 -0.02 0.00 -0.02 0.00 0.00 35.03 33.93 2crq n LYS 42 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2crq n LYS 43 N 0.16 -3.37 -3.43 1.97 4.76 0.93 -4.92 118.16 114.26 2crq n LYS 43 Ca 0.19 0.40 -0.38 0.00 -2.87 0.00 0.00 58.31 55.65 2crq n LYS 43 Cb 0.79 -4.86 -0.06 0.00 -1.84 0.00 0.00 35.03 29.06 2crq n LYS 43 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2crq s TYR 44 N -3.60 3.62 -0.57 2.13 2.02 -1.09 -4.97 117.35 114.90 2crq s TYR 44 Ca 0.41 0.92 -0.28 0.00 -0.37 0.00 0.00 57.07 57.75 2crq s TYR 44 Cb -0.22 -2.40 0.02 0.00 -0.40 0.00 0.00 41.96 38.97 2crq s TYR 44 CO 0.91 0.42 1.26 -1.01 -1.57 0.00 0.00 175.55 175.56 2crq s HIS 45 N -0.28 2.51 -0.33 2.71 3.76 -1.26 -4.30 115.29 118.11 2crq s HIS 45 Ca 0.24 0.45 -0.12 0.00 -0.15 0.00 0.00 55.06 55.48 2crq s HIS 45 Cb -0.16 -4.47 -0.01 0.00 1.11 0.00 0.00 32.58 29.04 2crq s HIS 45 CO 0.11 -1.71 0.22 0.08 -0.85 0.00 0.00 174.74 172.59 2crq s VAL 46 N 5.27 5.08 -0.50 -0.90 1.01 -1.22 -1.50 120.40 127.65 2crq s VAL 46 Ca 0.46 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 61.97 2crq s VAL 46 Cb -0.09 -3.61 0.06 0.00 0.00 0.00 0.00 36.38 32.74 2crq s VAL 46 CO 0.26 0.01 0.61 -1.58 0.00 0.00 0.00 175.10 174.40 2crq s GLN 47 N 1.69 3.12 -0.12 2.72 0.74 -0.72 -1.70 119.66 125.39 2crq s GLN 47 Ca 0.06 -0.91 -0.16 0.00 0.05 0.00 0.00 55.36 54.39 2crq s GLN 47 Cb -0.17 -4.10 -0.05 0.00 1.10 0.00 0.00 33.01 29.79 2crq s GLN 47 CO 0.09 -1.21 0.40 0.08 -0.55 0.00 0.00 175.29 174.10 2crq s VAL 48 N 2.58 5.21 -0.14 1.34 1.01 0.19 -1.29 120.40 129.30 2crq s VAL 48 Ca 0.15 0.79 -0.01 0.00 0.00 0.00 0.00 61.98 62.91 2crq s VAL 48 Cb -0.19 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.49 2crq s VAL 48 CO 0.12 0.39 -0.06 -0.89 0.00 0.00 0.00 175.10 174.66 2crq s THR 49 N 0.32 1.03 -0.44 3.92 2.01 0.02 -0.51 115.64 121.98 2crq s THR 49 Ca 0.22 -0.47 -0.19 0.00 0.31 0.00 0.00 61.69 61.56 2crq s THR 49 Cb -0.15 -1.16 0.03 0.00 0.01 0.00 0.00 72.50 71.23 2crq s THR 49 CO 0.08 0.22 0.58 -0.63 -0.69 0.00 0.00 174.62 174.18 2crq s ILE 50 N 1.68 4.91 -0.00 1.82 1.01 -1.11 -2.17 121.20 127.34 2crq s ILE 50 Ca 0.02 -0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.26 2crq s ILE 50 Cb -0.14 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 2crq s ILE 50 CO -0.08 -0.58 1.20 -0.54 0.00 0.00 0.00 174.94 174.94 2crq s LYS 51 N 2.60 4.39 -0.28 2.79 1.02 -0.93 -2.82 119.74 126.51 2crq s LYS 51 Ca 0.18 1.71 -0.11 0.00 0.02 0.00 0.00 55.97 57.77 2crq s LYS 51 Cb -0.16 -3.47 -0.05 0.00 -0.52 0.00 0.00 37.83 33.63 2crq s LYS 51 CO 0.16 -0.36 0.19 1.03 -0.92 0.00 0.00 175.35 175.46 2crq s ARG 52 N 1.70 3.96 0.18 1.68 3.00 -1.26 -2.77 118.95 125.44 2crq s ARG 52 Ca 0.57 -0.30 -0.02 0.00 0.00 0.00 0.00 55.73 55.98 2crq s ARG 52 Cb -0.27 -3.65 -0.05 0.00 0.00 0.00 0.00 34.95 30.99 2crq s ARG 52 CO 0.25 -0.17 0.38 -0.98 0.00 0.00 0.00 175.30 174.79 2crq s ARG 53 N 1.72 3.55 0.44 3.54 1.70 -1.26 -4.91 118.95 123.73 2crq s ARG 53 Ca 0.07 -0.26 0.11 0.00 -0.47 0.00 0.00 55.73 55.18 2crq s ARG 53 Cb -0.16 -2.85 0.99 0.00 -0.57 0.00 0.00 34.95 32.36 2crq s ARG 53 CO 0.10 0.43 2.06 -0.22 -1.08 0.00 0.00 175.30 176.59 2crq h LYS 54 N 2.30 0.28 -2.81 3.89 3.64 -2.01 -3.12 116.57 118.74 2crq h LYS 54 Ca -0.47 -0.03 -0.73 0.00 -1.27 0.00 0.00 60.65 58.15 2crq h LYS 54 Cb 1.18 -0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.84 2crq h LYS 54 CO 0.70 0.24 2.61 -0.25 -2.27 0.00 0.00 179.45 180.47 2crq n ASP 55 N -4.45 7.72 -3.84 4.20 8.00 -1.26 -4.87 116.55 122.04 2crq n ASP 55 Ca 0.00 -3.04 -0.26 0.00 0.71 0.00 0.00 54.79 52.20 2crq n ASP 55 Cb 0.12 -1.41 -0.17 0.00 -0.02 0.00 0.00 41.12 39.63 2crq n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2crq s ALA 56 N -0.37 1.13 -2.00 2.24 0.00 -1.18 -4.99 121.76 116.59 2crq s ALA 56 Ca 0.55 -0.50 0.21 0.00 0.00 0.00 0.00 51.96 52.22 2crq s ALA 56 Cb 0.17 -0.94 1.25 0.00 0.00 0.00 0.00 23.12 23.61 2crq s ALA 56 CO -0.08 -0.59 1.78 -0.85 0.00 0.00 0.00 175.76 176.01 2crq n GLU 57 N 5.00 0.95 -3.74 0.00 0.00 -1.26 -4.65 120.64 116.94 2crq n GLU 57 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.68 2crq n GLU 57 Cb 0.49 -1.34 -0.12 0.00 0.00 0.00 0.00 31.44 30.46 2crq n GLU 57 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 2crq s GLN 58 N -2.00 3.04 1.08 3.44 -1.52 -1.26 -5.09 119.66 117.34 2crq s GLN 58 Ca 0.31 -0.90 -0.14 0.00 -1.95 0.00 0.00 55.36 52.69 2crq s GLN 58 Cb 0.14 -3.42 0.17 0.00 -0.22 0.00 0.00 33.01 29.68 2crq s GLN 58 CO 0.24 -0.48 0.66 0.43 -0.25 0.00 0.00 175.29 175.89 2crq n SER 59 N 4.88 -1.59 -0.22 5.90 7.64 -1.26 -4.74 113.62 124.23 2crq n SER 59 Ca -0.14 0.04 -0.02 0.00 1.01 0.00 0.00 58.87 59.76 2crq n SER 59 Cb 0.48 -1.21 0.18 0.00 -1.01 0.00 0.00 64.21 62.65 2crq n SER 59 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2crq h GLU 60 N -2.19 1.01 0.00 1.43 4.11 -1.98 -1.21 114.58 115.75 2crq h GLU 60 Ca -0.53 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 58.77 2crq h GLU 60 Cb 1.32 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2crq h GLU 60 CO 0.42 0.77 0.02 0.93 0.07 0.00 0.00 179.01 181.22 2crq h GLU 61 N 1.01 0.00 0.09 1.06 5.08 -2.03 -1.45 114.58 118.34 2crq h GLU 61 Ca 0.25 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.26 2crq h GLU 61 Cb 0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2crq h GLU 61 CO -0.03 0.00 -1.96 0.39 -1.00 0.00 0.00 179.01 176.41 2crq n GLU 62 N -2.73 0.73 -0.23 2.33 -0.58 -0.48 -4.12 120.64 115.56 2crq n GLU 62 Ca -0.02 0.26 0.17 0.00 -0.42 0.00 0.00 57.16 57.15 2crq n GLU 62 Cb 0.08 -1.72 0.49 0.00 -0.57 0.00 0.00 31.44 29.72 2crq n GLU 62 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2crq h THR 63 N 0.05 0.73 -0.70 2.62 2.02 -0.99 -0.73 112.91 115.92 2crq h THR 63 Ca -0.40 -0.16 0.11 0.00 0.77 0.00 0.00 66.41 66.73 2crq h THR 63 Cb 2.03 0.24 -0.08 0.00 -1.74 0.00 0.00 68.15 68.60 2crq h THR 63 CO 0.08 0.08 0.30 -0.33 0.37 0.00 0.00 175.52 176.03 2crq h GLU 64 N 0.45 0.49 -0.99 6.66 3.07 -1.69 -0.99 114.58 121.59 2crq h GLU 64 Ca 0.44 -0.03 0.29 0.00 -0.50 0.00 0.00 59.36 59.56 2crq h GLU 64 Cb 1.01 -0.11 -0.14 0.00 -0.84 0.00 0.00 28.75 28.67 2crq h GLU 64 CO -0.17 0.32 0.53 0.93 -1.40 0.00 0.00 179.01 179.23 2crq h GLU 65 N 0.50 0.37 -0.66 2.33 5.08 -1.34 -1.70 114.58 119.16 2crq h GLU 65 Ca 0.36 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.76 2crq h GLU 65 Cb 0.45 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.53 2crq h GLU 65 CO -0.32 0.24 -0.45 0.82 -1.00 0.00 0.00 179.01 178.31 2crq h ILE 66 N 0.38 0.00 -0.97 3.13 1.08 -1.29 0.18 117.51 120.02 2crq h ILE 66 Ca 0.69 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 65.38 2crq h ILE 66 Cb 1.48 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 35.05 2crq h ILE 66 CO -0.58 0.00 -0.13 -0.26 -0.69 0.00 0.00 178.15 176.50 2crq h PHE 67 N -0.07 -0.31 0.07 1.37 0.04 -1.45 0.29 116.94 116.86 2crq h PHE 67 Ca 0.11 0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.97 2crq h PHE 67 Cb 0.35 0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.78 2crq h PHE 67 CO -0.94 -0.42 -0.12 -0.91 -0.60 0.00 0.00 178.31 175.33 2crq h ASN 68 N 0.01 -0.32 -1.01 2.17 2.35 -0.77 -1.80 115.58 116.20 2crq h ASN 68 Ca 0.52 0.04 0.32 0.00 -0.55 0.00 0.00 56.30 56.63 2crq h ASN 68 Cb 0.92 0.12 -0.15 0.00 0.05 0.00 0.00 38.32 39.27 2crq h ASN 68 CO -0.96 -0.17 0.58 1.56 -1.65 0.00 0.00 177.43 176.79 2crq h GLN 69 N -0.23 0.31 -0.15 0.81 4.20 0.55 0.57 115.11 121.17 2crq h GLN 69 Ca 0.02 -0.02 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 2crq h GLN 69 Cb 0.25 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 27.96 2crq h GLN 69 CO -0.07 0.21 -0.75 0.82 -0.67 0.00 0.00 178.83 178.37 2crq h ILE 70 N 0.32 1.30 0.00 2.54 2.04 -0.96 -3.05 117.51 119.70 2crq h ILE 70 Ca 0.74 -1.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 2crq h ILE 70 Cb 1.70 1.98 -0.00 0.00 -0.74 0.00 0.00 36.82 39.76 2crq h ILE 70 CO -0.59 0.62 -0.05 0.25 0.00 0.00 0.00 178.15 178.38 2crq h LEU 71 N 0.50 0.00 0.00 1.44 5.85 0.84 -2.21 115.31 121.73 2crq h LEU 71 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2crq h LEU 71 Cb 1.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2crq h LEU 71 CO 0.15 0.05 0.00 0.00 -0.34 0.00 0.00 178.44 178.30 2crq n GLN 72 N -3.24 0.11 -0.01 1.25 1.13 0.16 -1.20 117.38 115.59 2crq n GLN 72 Ca -0.01 0.21 0.09 0.00 -1.94 0.00 0.00 57.00 55.35 2crq n GLN 72 Cb 0.26 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 28.98 2crq n GLN 72 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2crq n THR 73 N -1.30 0.00 -2.63 5.09 -2.24 -0.83 -4.58 114.28 107.79 2crq n THR 73 Ca 0.04 -0.37 -0.09 0.00 -2.27 0.00 0.00 64.05 61.36 2crq n THR 73 Cb 0.07 0.19 0.03 0.00 -2.10 0.00 0.00 70.33 68.52 2crq n THR 73 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 2crq n MET 74 N -2.03 1.98 0.00 -0.78 -0.00 -0.48 -4.87 117.12 110.95 2crq n MET 74 Ca -0.03 -3.63 0.07 0.00 -0.00 0.00 0.00 57.70 54.12 2crq n MET 74 Cb 0.43 -1.65 0.40 0.00 -0.00 0.00 0.00 33.22 32.41 2crq n MET 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2crq n PRO 75 N -0.42 0.31 0.00 3.17 -0.04 -0.34 0.70 135.00 138.39 2crq n PRO 75 Ca 0.16 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2crq n PRO 75 Cb 0.81 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 2crq n PRO 75 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2crq n ASP 76 N -1.18 0.28 0.00 3.54 5.68 -1.26 -4.77 116.55 118.83 2crq n ASP 76 Ca 0.09 -0.69 0.00 0.00 -0.50 0.00 0.00 54.79 53.68 2crq n ASP 76 Cb 0.09 0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 2crq n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2crq n ILE 77 N -0.19 0.00 -3.93 2.12 3.06 -1.01 -3.60 119.36 115.81 2crq n ILE 77 Ca 0.00 -0.09 -0.10 0.00 -2.50 0.00 0.00 62.75 60.06 2crq n ILE 77 Cb 0.08 0.56 -0.10 0.00 0.54 0.00 0.00 39.64 40.71 2crq n ILE 77 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2crq s ALA 78 N -1.63 -0.09 0.02 1.51 0.00 0.22 -3.65 121.76 118.13 2crq s ALA 78 Ca 0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 51.96 51.53 2crq s ALA 78 Cb 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 2crq s ALA 78 CO 0.00 -0.20 0.05 -0.08 0.00 0.00 0.00 175.76 175.53 2crq s THR 79 N -1.55 0.11 -0.72 0.00 -1.32 0.97 -4.23 115.64 108.89 2crq s THR 79 Ca -0.14 -0.87 -0.25 0.00 -1.21 0.00 0.00 61.69 59.21 2crq s THR 79 Cb -0.08 -0.43 -0.15 0.00 -1.51 0.00 0.00 72.50 70.33 2crq s THR 79 CO -0.00 -0.48 2.46 0.49 -2.21 0.00 0.00 174.62 174.87 2crq n PHE 80 N 1.40 1.04 0.16 9.09 3.01 -1.26 -2.47 117.46 128.43 2crq n PHE 80 Ca -0.23 0.14 -0.10 0.00 1.01 0.00 0.00 57.45 58.27 2crq n PHE 80 Cb 0.56 -2.36 -0.06 0.00 -0.01 0.00 0.00 39.48 37.61 2crq n PHE 80 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2crq h SER 81 N 15.64 -0.41 -3.72 4.37 0.87 -1.34 -3.42 113.55 125.54 2crq h SER 81 Ca -0.12 -0.11 -0.65 0.00 -1.23 0.00 0.00 61.79 59.68 2crq h SER 81 Cb 1.21 0.10 -0.40 0.00 -0.44 0.00 0.00 62.40 62.87 2crq h SER 81 CO 1.23 0.05 -0.71 -0.44 -0.53 0.00 0.00 176.83 176.42 2crq s SER 82 N -5.05 4.62 0.13 6.23 0.01 -0.80 -4.93 113.70 113.91 2crq s SER 82 Ca -0.11 -2.22 -0.24 0.00 1.31 0.00 0.00 55.95 54.69 2crq s SER 82 Cb 0.01 -1.54 -0.14 0.00 0.21 0.00 0.00 66.02 64.55 2crq s SER 82 CO 0.36 -0.36 0.51 0.54 0.41 0.00 0.00 173.24 174.69 2crq n ARG 83 N 4.16 0.00 -2.05 12.44 1.74 -1.26 -2.36 116.66 129.32 2crq n ARG 83 Ca 0.04 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.85 2crq n ARG 83 Cb 0.41 -0.88 -0.05 0.00 -1.02 0.00 0.00 32.46 30.91 2crq n ARG 83 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2crq s PRO 84 N -0.64 2.54 0.43 5.56 0.04 -1.26 -4.64 135.00 137.03 2crq s PRO 84 Ca 0.56 -0.48 0.03 0.00 0.04 0.00 0.00 61.00 61.15 2crq s PRO 84 Cb -0.80 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 28.64 2crq s PRO 84 CO 0.45 -3.52 0.62 -1.59 0.04 0.00 0.00 177.00 173.01 2crq s LYS 85 N 6.90 2.95 0.16 4.56 -2.85 -1.16 -4.74 119.74 125.56 2crq s LYS 85 Ca 0.70 -0.78 -0.30 0.00 -1.00 0.00 0.00 55.97 54.58 2crq s LYS 85 Cb -0.05 -2.64 -0.08 0.00 -2.06 0.00 0.00 37.83 32.99 2crq s LYS 85 CO 0.02 -0.27 1.33 0.00 0.10 0.00 0.00 175.35 176.54 2crq s ALA 86 N -2.47 3.54 0.32 0.59 0.00 -1.26 -2.78 121.76 119.70 2crq s ALA 86 Ca 0.50 1.09 0.08 0.00 0.00 0.00 0.00 51.96 53.63 2crq s ALA 86 Cb -0.10 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 2crq s ALA 86 CO 0.36 -0.56 -0.07 0.96 0.00 0.00 0.00 175.76 176.45 2crq s ILE 87 N 0.52 1.97 -1.26 0.00 -4.36 -0.98 -4.67 121.20 112.43 2crq s ILE 87 Ca 0.60 -2.16 -0.09 0.00 -0.26 0.00 0.00 60.65 58.74 2crq s ILE 87 Cb -0.36 -2.59 0.01 0.00 1.25 0.00 0.00 42.46 40.77 2crq s ILE 87 CO 0.35 -0.22 0.17 -2.11 0.24 0.00 0.00 174.94 173.36 2crq n ARG 88 N -0.72 -0.77 0.00 0.37 1.85 -1.26 0.63 116.66 116.76 2crq n ARG 88 Ca -0.05 0.05 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2crq n ARG 88 Cb 0.64 -2.77 0.00 0.00 -1.05 0.00 0.00 32.46 29.28 2crq n ARG 88 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2crq n GLY 89 N -2.25 2.98 0.00 2.89 0.00 -1.26 -4.28 105.19 103.26 2crq n GLY 89 Ca -0.23 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2crq n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2crq n GLY 90 N 0.00 0.83 0.31 -0.02 0.00 0.20 -5.01 105.19 101.50 2crq n GLY 90 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2crq n GLY 90 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2crq h THR 91 N 0.00 0.87 -1.94 2.61 1.35 -1.74 -3.43 112.91 110.63 2crq h THR 91 Ca 0.00 -0.26 -0.57 0.00 -0.55 0.00 0.00 66.41 65.03 2crq h THR 91 Cb 0.00 0.05 -0.10 0.00 -1.73 0.00 0.00 68.15 66.37 2crq h THR 91 CO 0.00 0.14 -0.60 0.00 -0.25 0.00 0.00 175.52 174.80 2crq s ALA 92 N -6.02 3.26 0.25 6.62 0.00 -1.26 -4.24 121.76 120.37 2crq s ALA 92 Ca -0.12 -1.91 0.08 0.00 0.00 0.00 0.00 51.96 50.01 2crq s ALA 92 Cb 0.20 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2crq s ALA 92 CO 0.78 0.08 0.06 0.45 0.00 0.00 0.00 175.76 177.13 2crq s SER 93 N -3.74 4.88 -0.16 0.00 0.15 -1.13 -2.31 113.70 111.40 2crq s SER 93 Ca 0.35 -0.49 -0.06 0.00 0.70 0.00 0.00 55.95 56.45 2crq s SER 93 Cb -0.01 -1.04 0.07 0.00 -1.71 0.00 0.00 66.02 63.33 2crq s SER 93 CO 0.20 0.00 0.33 -0.32 1.20 0.00 0.00 173.24 174.65 2crq s MET 94 N -3.63 0.23 0.06 5.44 0.00 -1.12 -2.74 119.30 117.54 2crq s MET 94 Ca 0.31 0.85 0.00 0.00 0.00 0.00 0.00 55.69 56.85 2crq s MET 94 Cb -0.07 0.10 -0.04 0.00 0.00 0.00 0.00 34.83 34.82 2crq s MET 94 CO 0.21 -0.26 -0.04 0.00 0.00 0.00 0.00 175.02 174.93 2crq s VAL 96 N -3.23 1.93 -0.06 0.00 1.01 -1.00 0.58 120.40 119.64 2crq s VAL 96 Ca 0.03 -1.46 0.05 0.00 0.00 0.00 0.00 61.98 60.60 2crq s VAL 96 Cb 0.03 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 2crq s VAL 96 CO -0.06 0.15 -0.21 -0.36 0.00 0.00 0.00 175.10 174.61 2crq s PHE 97 N -0.95 2.53 0.21 5.22 0.40 -0.69 -0.90 117.98 123.80 2crq s PHE 97 Ca 0.10 -0.52 0.01 0.00 -0.60 0.00 0.00 56.93 55.92 2crq s PHE 97 Cb -0.10 -1.61 -0.05 0.00 0.51 0.00 0.00 43.02 41.77 2crq s PHE 97 CO 0.03 -0.08 0.05 -0.98 0.70 0.00 0.00 175.22 174.94 2crq s ARG 98 N -0.34 1.23 0.04 0.44 1.70 -1.03 -3.37 118.95 117.63 2crq s ARG 98 Ca 0.02 -1.63 -0.18 0.00 -0.47 0.00 0.00 55.73 53.47 2crq s ARG 98 Cb -0.12 -0.23 -0.06 0.00 -0.57 0.00 0.00 34.95 33.96 2crq s ARG 98 CO 0.02 -0.21 0.52 -1.58 -1.08 0.00 0.00 175.30 172.98 2crq s HIS 99 N -3.72 3.76 -0.43 5.89 5.65 -1.26 -0.02 115.29 125.16 2crq s HIS 99 Ca 0.30 1.18 -0.33 0.00 0.25 0.00 0.00 55.06 56.46 2crq s HIS 99 Cb 0.07 -2.45 -0.11 0.00 -1.18 0.00 0.00 32.58 28.90 2crq s HIS 99 CO 0.08 0.57 2.29 1.28 -0.65 0.00 0.00 174.74 178.31 2crq n LEU 100 N 1.92 2.04 -0.11 8.88 4.77 -1.24 -4.79 117.00 128.46 2crq n LEU 100 Ca -0.11 0.21 -0.22 0.00 -0.03 0.00 0.00 56.01 55.86 2crq n LEU 100 Cb 0.51 -1.30 -0.12 0.00 -2.33 0.00 0.00 43.42 40.19 2crq n LEU 100 CO 0.40 -0.87 -1.23 -1.54 -1.33 0.00 0.00 177.39 172.82 2crq n SER 101 N 11.09 1.99 -3.38 -1.43 3.41 -1.26 -4.92 113.62 119.11 2crq n SER 101 Ca 0.43 0.10 -0.25 0.00 -0.26 0.00 0.00 58.87 58.89 2crq n SER 101 Cb 0.28 -0.65 0.24 0.00 -0.26 0.00 0.00 64.21 63.82 2crq n SER 101 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2crq n LYS 102 N -3.69 -3.84 -0.95 4.33 5.02 -1.26 -4.74 118.16 113.02 2crq n LYS 102 Ca -0.45 -1.14 -0.18 0.00 -2.02 0.00 0.00 58.31 54.52 2crq n LYS 102 Cb 0.94 -1.74 -0.11 0.00 -0.02 0.00 0.00 35.03 34.10 2crq n LYS 102 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2crq n LYS 103 N -4.20 2.21 -3.34 1.97 4.01 -1.26 -4.84 118.16 112.71 2crq n LYS 103 Ca 0.11 -1.22 -0.19 0.00 -0.51 0.00 0.00 58.31 56.49 2crq n LYS 103 Cb 0.49 -2.18 -0.02 0.00 -0.51 0.00 0.00 35.03 32.81 2crq n LYS 103 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2crq n GLU 104 N 2.95 1.01 -1.03 1.97 4.71 -1.26 -5.09 120.64 123.89 2crq n GLU 104 Ca 0.47 -2.42 -0.36 0.00 -0.01 0.00 0.00 57.16 54.84 2crq n GLU 104 Cb 0.61 0.40 0.04 0.00 -1.01 0.00 0.00 31.44 31.47 2crq n GLU 104 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2crq n GLU 105 N -1.21 -0.00 -3.62 3.49 -0.58 -1.26 -5.01 120.64 112.45 2crq n GLU 105 Ca -0.06 -0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.55 2crq n GLU 105 Cb 0.43 -1.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.24 2crq n GLU 105 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2crq s LYS 106 N -1.87 0.97 -0.07 3.49 -2.85 -1.26 -4.86 119.74 113.28 2crq s LYS 106 Ca 0.42 -0.25 -0.14 0.00 -1.00 0.00 0.00 55.97 55.00 2crq s LYS 106 Cb -0.22 0.44 0.03 0.00 -2.06 0.00 0.00 37.83 36.02 2crq s LYS 106 CO 0.81 -0.33 0.35 0.45 0.10 0.00 0.00 175.35 176.72 2crq s SER 107 N -1.89 -0.29 0.34 0.03 0.15 -1.24 -4.99 113.70 105.81 2crq s SER 107 Ca -0.06 0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.99 2crq s SER 107 Cb -0.01 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2crq s SER 107 CO -0.01 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.74 2crq n GLY 108 N 2.01 -0.74 3.75 9.45 0.00 -1.26 -4.81 105.19 113.59 2crq n GLY 108 Ca -0.18 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 2crq n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crq s PRO 109 N 0.00 4.42 -0.24 1.61 0.04 -1.26 -4.95 135.00 134.62 2crq s PRO 109 Ca 0.00 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 2crq s PRO 109 Cb 0.00 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 2crq s PRO 109 CO 0.00 -0.16 1.73 -1.54 0.04 0.00 0.00 177.00 177.07 2crq s SER 110 N -0.05 6.16 0.21 6.66 1.04 -1.26 -4.99 113.70 121.47 2crq s SER 110 Ca 0.53 1.58 0.05 0.00 0.48 0.00 0.00 55.95 58.59 2crq s SER 110 Cb -0.37 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.19 2crq s SER 110 CO 0.42 -1.44 0.24 -0.44 0.98 0.00 0.00 173.24 173.00 2crq s SER 111 N 5.11 5.84 0.00 7.02 0.01 -1.26 -5.24 113.70 125.18 2crq s SER 111 Ca 0.77 -0.08 0.26 0.00 1.31 0.00 0.00 55.95 58.21 2crq s SER 111 Cb -0.25 -1.60 0.63 0.00 0.21 0.00 0.00 66.02 65.01 2crq s SER 111 CO 0.32 -0.01 1.51 0.61 0.41 0.00 0.00 173.24 176.08