#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crq s SER 2 N 0.00 -0.56 0.26 1.61 0.01 -1.26 -5.18 113.70 108.59 2crq s SER 2 Ca 0.00 0.98 -0.21 0.00 1.31 0.00 0.00 55.95 58.03 2crq s SER 2 Cb 0.00 0.99 0.05 0.00 0.21 0.00 0.00 66.02 67.26 2crq s SER 2 CO 0.00 -0.27 0.84 -0.44 0.41 0.00 0.00 173.24 173.78 2crq s SER 3 N -0.06 -0.14 -0.02 2.44 0.01 -1.26 -5.19 113.70 109.49 2crq s SER 3 Ca -0.03 -0.70 -0.18 0.00 1.31 0.00 0.00 55.95 56.36 2crq s SER 3 Cb -0.04 0.67 0.06 0.00 0.21 0.00 0.00 66.02 66.92 2crq s SER 3 CO 0.02 -1.27 0.79 0.61 0.41 0.00 0.00 173.24 173.81 2crq n GLY 4 N -0.51 0.37 3.10 3.44 0.00 -1.26 -5.17 105.19 105.16 2crq n GLY 4 Ca -0.05 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.78 2crq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crq s SER 5 N -2.76 1.63 0.11 1.61 1.04 -1.26 -5.15 113.70 108.93 2crq s SER 5 Ca 0.19 -0.25 0.08 0.00 0.48 0.00 0.00 55.95 56.44 2crq s SER 5 Cb -0.00 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.85 2crq s SER 5 CO -0.00 0.16 -0.19 -0.55 0.98 0.00 0.00 173.24 173.63 2crq s SER 6 N -0.25 2.46 0.00 7.02 0.15 -1.26 -5.04 113.70 116.78 2crq s SER 6 Ca 0.04 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.96 2crq s SER 6 Cb -0.06 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 2crq s SER 6 CO -0.00 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.06 2crq n GLY 7 N 0.89 0.40 3.68 9.45 0.00 -1.26 -5.11 105.19 113.23 2crq n GLY 7 Ca -0.18 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 2crq n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crq s PRO 8 N 0.00 4.24 -0.27 1.61 0.04 -1.26 -4.99 135.00 134.37 2crq s PRO 8 Ca 0.00 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 62.80 2crq s PRO 8 Cb 0.00 -3.72 0.10 0.00 0.04 0.00 0.00 34.50 30.92 2crq s PRO 8 CO 0.00 -0.69 0.92 -1.59 0.04 0.00 0.00 177.00 175.68 2crq s LYS 9 N 3.04 0.63 0.14 4.56 -2.85 -1.26 -5.18 119.74 118.82 2crq s LYS 9 Ca 0.66 0.72 -0.01 0.00 -1.00 0.00 0.00 55.97 56.34 2crq s LYS 9 Cb -0.31 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 35.72 2crq s LYS 9 CO 0.26 -0.08 0.06 0.95 0.10 0.00 0.00 175.35 176.64 2crq s THR 10 N 0.22 0.14 0.38 3.79 -4.23 -1.26 -5.09 115.64 109.58 2crq s THR 10 Ca 0.02 -1.93 0.07 0.00 -1.18 0.00 0.00 61.69 58.67 2crq s THR 10 Cb -0.05 -2.11 -0.00 0.00 1.34 0.00 0.00 72.50 71.68 2crq s THR 10 CO -0.03 -0.41 0.51 -0.83 -0.54 0.00 0.00 174.62 173.32 2crq s GLY 11 N -3.07 1.82 0.41 3.99 0.00 -1.26 -5.01 107.32 104.18 2crq s GLY 11 Ca 0.26 -1.60 0.20 0.00 0.00 0.00 0.00 44.72 43.58 2crq s GLY 11 CO 0.03 -1.46 1.82 -0.56 0.00 0.00 0.00 173.10 172.94 2crq h PRO 12 N 0.79 0.00 -0.95 2.90 0.13 -2.03 -3.44 132.00 129.39 2crq h PRO 12 Ca -0.43 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.89 2crq h PRO 12 Cb 1.27 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.12 2crq h PRO 12 CO 0.49 0.32 0.47 -0.08 -0.23 0.00 0.00 178.00 178.97 2crq s THR 13 N -3.84 -0.15 -0.17 1.56 -1.32 -1.26 -5.17 115.64 105.29 2crq s THR 13 Ca -0.01 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.38 2crq s THR 13 Cb 0.12 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.17 2crq s THR 13 CO 0.67 0.00 0.41 -0.04 -2.21 0.00 0.00 174.62 173.45 2crq s MET 14 N 1.73 0.40 -0.15 7.08 -1.94 -1.26 -5.14 119.30 120.01 2crq s MET 14 Ca -0.05 0.80 -0.02 0.00 -1.71 0.00 0.00 55.69 54.71 2crq s MET 14 Cb -0.03 -0.02 0.05 0.00 2.01 0.00 0.00 34.83 36.84 2crq s MET 14 CO -0.15 -0.16 0.02 0.99 -0.01 0.00 0.00 175.02 175.72 2crq s THR 15 N 1.42 0.47 -0.05 2.05 2.01 -1.26 -3.96 115.64 116.31 2crq s THR 15 Ca -0.10 -0.31 -0.13 0.00 0.31 0.00 0.00 61.69 61.46 2crq s THR 15 Cb -0.08 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.52 2crq s THR 15 CO -0.13 -0.04 0.33 -0.54 -0.69 0.00 0.00 174.62 173.55 2crq s LYS 16 N 1.90 3.85 -0.08 4.92 -0.14 -1.18 -5.01 119.74 124.00 2crq s LYS 16 Ca 0.01 0.25 0.02 0.00 -1.36 0.00 0.00 55.97 54.89 2crq s LYS 16 Cb -0.15 -3.24 -0.02 0.00 -1.68 0.00 0.00 37.83 32.73 2crq s LYS 16 CO -0.07 0.65 -0.14 -1.21 -0.76 0.00 0.00 175.35 173.82 2crq s GLU 17 N -0.86 2.86 -0.06 1.68 2.02 -1.26 -1.71 118.70 121.37 2crq s GLU 17 Ca 0.21 -0.69 0.05 0.00 0.02 0.00 0.00 54.97 54.56 2crq s GLU 17 Cb -0.15 -2.48 -0.00 0.00 0.10 0.00 0.00 34.13 31.59 2crq s GLU 17 CO 0.10 0.46 -0.21 -1.17 0.02 0.00 0.00 175.26 174.46 2crq s LEU 18 N -0.30 1.98 -0.05 1.80 2.96 -0.23 -4.95 118.68 119.90 2crq s LEU 18 Ca 0.02 -0.45 -0.00 0.00 -0.22 0.00 0.00 54.13 53.49 2crq s LEU 18 Cb -0.13 -1.19 0.03 0.00 0.50 0.00 0.00 46.19 45.40 2crq s LEU 18 CO 0.03 0.17 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.53 2crq s VAL 19 N 0.11 0.31 0.03 1.68 1.01 -1.26 -1.06 120.40 121.21 2crq s VAL 19 Ca -0.08 0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 2crq s VAL 19 Cb -0.14 -0.42 0.03 0.00 0.00 0.00 0.00 36.38 35.85 2crq s VAL 19 CO 0.04 0.20 0.41 0.72 0.00 0.00 0.00 175.10 176.47 2crq s PHE 20 N 1.38 -0.26 1.06 5.22 -0.71 -1.08 -5.01 117.98 118.59 2crq s PHE 20 Ca -0.04 0.25 -0.12 0.00 -1.04 0.00 0.00 56.93 55.98 2crq s PHE 20 Cb -0.13 0.20 0.23 0.00 -1.21 0.00 0.00 43.02 42.11 2crq s PHE 20 CO -0.02 -0.55 1.07 -1.54 -1.34 0.00 0.00 175.22 172.83 2crq s SER 21 N -1.90 1.84 0.09 1.98 1.04 -1.26 -3.42 113.70 112.07 2crq s SER 21 Ca -0.06 1.62 0.13 0.00 0.48 0.00 0.00 55.95 58.12 2crq s SER 21 Cb -0.01 -2.30 -0.14 0.00 0.10 0.00 0.00 66.02 63.66 2crq s SER 21 CO -0.01 -3.68 1.01 -1.28 0.98 0.00 0.00 173.24 170.25 2crq h SER 22 N -2.27 0.00 -0.19 7.02 0.87 -1.92 -3.30 113.55 113.77 2crq h SER 22 Ca -0.56 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 59.94 2crq h SER 22 Cb 1.31 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.24 2crq h SER 22 CO 0.50 0.78 0.08 -3.20 -0.53 0.00 0.00 176.83 174.45 2crq n ASN 23 N -3.11 2.66 -4.71 6.23 5.15 -1.26 -4.91 115.26 115.30 2crq n ASN 23 Ca -0.07 -2.31 -0.42 0.00 -0.60 0.00 0.00 54.58 51.18 2crq n ASN 23 Cb 0.90 -0.56 -0.03 0.00 -0.53 0.00 0.00 39.78 39.56 2crq n ASN 23 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2crq s ILE 24 N -1.13 2.60 0.85 -1.44 2.07 -1.24 -4.97 121.20 117.94 2crq s ILE 24 Ca 0.14 0.35 -0.11 0.00 -1.41 0.00 0.00 60.65 59.62 2crq s ILE 24 Cb 0.11 -3.23 0.10 0.00 0.13 0.00 0.00 42.46 39.58 2crq s ILE 24 CO 0.03 0.02 1.10 -0.83 -1.91 0.00 0.00 174.94 173.36 2crq s GLY 25 N 1.53 1.66 0.07 1.50 0.00 -1.26 -4.71 107.32 106.11 2crq s GLY 25 Ca 0.72 0.28 -0.24 0.00 0.00 0.00 0.00 44.72 45.49 2crq s GLY 25 CO 0.32 0.69 1.64 -1.61 0.00 0.00 0.00 173.10 174.14 2crq h GLN 26 N -1.47 -0.00 -0.55 2.90 5.75 -1.99 0.86 115.11 120.61 2crq h GLN 26 Ca -0.45 0.00 0.16 0.00 -0.15 0.00 0.00 58.65 58.21 2crq h GLN 26 Cb 1.25 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.78 2crq h GLN 26 CO 0.49 0.10 0.42 1.25 -2.65 0.00 0.00 178.83 178.43 2crq h HIS 27 N -0.10 0.00 0.00 3.99 2.76 -2.01 -1.84 115.15 117.95 2crq h HIS 27 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2crq h HIS 27 Cb 0.10 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.06 2crq h HIS 27 CO -0.04 0.00 -0.04 -0.44 -1.30 0.00 0.00 177.93 176.11 2crq h ASP 28 N 0.00 0.00 -1.68 3.26 3.32 -1.78 -3.36 116.42 116.18 2crq h ASP 28 Ca 0.26 0.00 0.50 0.00 0.02 0.00 0.00 57.03 57.81 2crq h ASP 28 Cb 1.09 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.56 2crq h ASP 28 CO -0.00 0.12 1.20 -0.11 -1.72 0.00 0.00 179.24 178.72 2crq n LEU 29 N -2.62 0.03 -0.06 1.55 7.94 0.25 0.34 117.00 124.42 2crq n LEU 29 Ca -0.01 0.93 -0.09 0.00 -1.11 0.00 0.00 56.01 55.74 2crq n LEU 29 Cb 0.02 -0.46 -0.02 0.00 0.53 0.00 0.00 43.42 43.48 2crq n LEU 29 CO 0.01 -0.95 0.66 -0.78 -1.11 0.00 0.00 177.39 175.22 2crq h ASP 30 N 0.00 -0.94 -0.89 1.96 3.58 -1.47 -0.35 116.42 118.30 2crq h ASP 30 Ca 0.83 0.16 -0.02 0.00 0.42 0.00 0.00 57.03 58.42 2crq h ASP 30 Cb 3.24 0.43 -0.04 0.00 1.72 0.00 0.00 39.33 44.67 2crq h ASP 30 CO -0.07 -0.32 0.49 0.74 -2.88 0.00 0.00 179.24 177.21 2crq h THR 31 N -0.29 1.26 -0.19 2.25 2.02 -0.31 -2.57 112.91 115.07 2crq h THR 31 Ca 0.14 -0.63 0.04 0.00 0.77 0.00 0.00 66.41 66.72 2crq h THR 31 Cb 0.51 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 2crq h THR 31 CO -0.43 0.29 -0.03 0.11 0.37 0.00 0.00 175.52 175.83 2crq h LYS 32 N 1.25 0.03 -0.60 6.66 1.79 -1.21 0.59 116.57 125.06 2crq h LYS 32 Ca 0.31 -0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.82 2crq h LYS 32 Cb 0.02 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.62 2crq h LYS 32 CO -0.05 0.02 0.35 0.77 -1.08 0.00 0.00 179.45 179.46 2crq h SER 33 N 0.03 0.56 0.22 0.86 0.02 -0.86 -1.84 113.55 112.52 2crq h SER 33 Ca 0.09 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2crq h SER 33 Cb 0.13 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2crq h SER 33 CO -0.18 0.38 -0.10 0.11 -1.14 0.00 0.00 176.83 175.90 2crq h LYS 34 N 0.68 -0.28 -0.93 3.45 1.57 -1.04 -0.70 116.57 119.32 2crq h LYS 34 Ca 0.25 0.02 0.19 0.00 -1.87 0.00 0.00 60.65 59.24 2crq h LYS 34 Cb 0.07 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.37 2crq h LYS 34 CO -0.13 -0.11 0.60 0.37 -0.57 0.00 0.00 179.45 179.61 2crq h GLN 35 N -0.39 0.54 0.04 3.15 5.75 -0.65 -1.76 115.11 121.80 2crq h GLN 35 Ca -0.03 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2crq h GLN 35 Cb 0.30 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.73 2crq h GLN 35 CO 0.05 0.36 -0.02 0.82 -2.65 0.00 0.00 178.83 177.38 2crq h ILE 36 N 0.55 1.32 -0.76 2.39 2.04 -0.99 -3.27 117.51 118.79 2crq h ILE 36 Ca 0.50 -1.30 0.17 0.00 1.00 0.00 0.00 64.86 65.23 2crq h ILE 36 Cb 1.03 2.16 -0.13 0.00 -0.74 0.00 0.00 36.82 39.14 2crq h ILE 36 CO -0.24 0.32 0.01 -0.61 0.00 0.00 0.00 178.15 177.63 2crq h GLN 37 N -0.65 0.10 -0.48 2.37 4.15 -0.29 0.16 115.11 120.47 2crq h GLN 37 Ca -0.01 -0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.51 2crq h GLN 37 Cb 0.57 -0.02 -0.10 0.00 0.21 0.00 0.00 27.48 28.14 2crq h GLN 37 CO 0.01 0.07 -0.19 1.96 -1.93 0.00 0.00 178.83 178.74 2crq h GLN 38 N 0.10 -0.08 0.25 1.69 4.20 -1.46 -0.87 115.11 118.95 2crq h GLN 38 Ca 0.41 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.12 2crq h GLN 38 Cb 0.73 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 2crq h GLN 38 CO -0.66 -0.06 -0.18 -1.49 -0.67 0.00 0.00 178.83 175.78 2crq h TRP 39 N -0.09 -0.46 -0.94 2.96 6.55 -1.05 -2.54 115.95 120.39 2crq h TRP 39 Ca 0.23 -0.00 0.23 0.00 0.95 0.00 0.00 58.89 60.30 2crq h TRP 39 Cb 0.44 0.17 -0.12 0.00 -0.86 0.00 0.00 29.16 28.79 2crq h TRP 39 CO -0.47 -0.27 0.48 0.82 -1.05 0.00 0.00 178.44 177.95 2crq h ILE 40 N -0.42 0.51 -1.00 1.49 1.08 -0.59 0.25 117.51 118.82 2crq h ILE 40 Ca -0.02 -0.17 0.16 0.00 -0.39 0.00 0.00 64.86 64.45 2crq h ILE 40 Cb 0.37 -0.02 -0.10 0.00 -3.07 0.00 0.00 36.82 34.00 2crq h ILE 40 CO 0.01 0.09 0.62 -0.33 -0.69 0.00 0.00 178.15 177.85 2crq h GLU 41 N 0.48 0.82 -0.89 2.37 5.08 -0.74 0.43 114.58 122.13 2crq h GLU 41 Ca 0.59 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.88 2crq h GLU 41 Cb 1.13 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 2crq h GLU 41 CO -0.50 0.54 0.04 1.63 -1.00 0.00 0.00 179.01 179.72 2crq n LYS 42 N -4.69 2.09 -3.78 2.33 5.02 0.85 -4.87 118.16 115.12 2crq n LYS 42 Ca 0.21 -0.99 -0.25 0.00 -2.02 0.00 0.00 58.31 55.27 2crq n LYS 42 Cb 0.49 -1.68 0.02 0.00 -0.02 0.00 0.00 35.03 33.83 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 -3.49 -4.72 1.97 4.01 0.15 -4.96 118.16 111.29 2crq n LYS 43 Ca 0.11 0.51 -0.33 0.00 -0.51 0.00 0.00 58.31 58.09 2crq n LYS 43 Cb 0.61 -4.74 -0.12 0.00 -0.51 0.00 0.00 35.03 30.26 2crq n LYS 43 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 2crq s TYR 44 N -3.73 2.85 -0.40 2.13 2.02 -1.13 -5.02 117.35 114.07 2crq s TYR 44 Ca 0.11 -0.14 -0.29 0.00 -0.37 0.00 0.00 57.07 56.37 2crq s TYR 44 Cb -0.04 -1.72 0.01 0.00 -0.40 0.00 0.00 41.96 39.82 2crq s TYR 44 CO 0.85 0.19 1.30 -1.01 -1.57 0.00 0.00 175.55 175.30 2crq s HIS 45 N -0.55 2.62 -0.19 2.71 3.76 -1.25 -4.28 115.29 118.10 2crq s HIS 45 Ca 0.08 0.76 -0.11 0.00 -0.15 0.00 0.00 55.06 55.64 2crq s HIS 45 Cb -0.12 -4.21 -0.05 0.00 1.11 0.00 0.00 32.58 29.32 2crq s HIS 45 CO 0.02 -1.67 0.18 0.08 -0.85 0.00 0.00 174.74 172.50 2crq s VAL 46 N 4.83 5.38 -0.41 -0.90 1.01 -1.25 -3.12 120.40 125.93 2crq s VAL 46 Ca 0.56 0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.77 2crq s VAL 46 Cb -0.13 -3.52 0.09 0.00 0.00 0.00 0.00 36.38 32.83 2crq s VAL 46 CO 0.29 0.43 0.22 -1.58 0.00 0.00 0.00 175.10 174.46 2crq s GLN 47 N 0.36 2.39 0.18 2.72 0.74 -0.69 -2.44 119.66 122.92 2crq s GLN 47 Ca 0.11 -1.58 -0.13 0.00 0.05 0.00 0.00 55.36 53.81 2crq s GLN 47 Cb -0.12 -3.67 -0.07 0.00 1.10 0.00 0.00 33.01 30.25 2crq s GLN 47 CO -0.00 -0.98 0.55 0.08 -0.55 0.00 0.00 175.29 174.39 2crq s VAL 48 N 1.31 4.88 -0.02 1.34 1.01 0.25 -1.06 120.40 128.10 2crq s VAL 48 Ca 0.04 0.70 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 2crq s VAL 48 Cb -0.23 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.49 2crq s VAL 48 CO -0.01 0.12 0.05 -0.89 0.00 0.00 0.00 175.10 174.37 2crq s THR 49 N -1.61 -0.04 -0.09 3.92 2.01 -0.23 -1.61 115.64 118.00 2crq s THR 49 Ca 0.42 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.57 2crq s THR 49 Cb -0.13 -0.10 -0.02 0.00 0.01 0.00 0.00 72.50 72.26 2crq s THR 49 CO 0.20 0.06 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.43 2crq s ILE 50 N 0.74 3.19 -0.06 1.82 1.01 -0.36 -2.62 121.20 124.91 2crq s ILE 50 Ca -0.06 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 2crq s ILE 50 Cb -0.08 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 2crq s ILE 50 CO -0.02 0.56 0.11 -0.54 0.00 0.00 0.00 174.94 175.05 2crq s LYS 51 N -0.24 3.28 0.50 2.79 1.02 -1.22 -1.50 119.74 124.37 2crq s LYS 51 Ca 0.02 -0.30 0.02 0.00 0.02 0.00 0.00 55.97 55.73 2crq s LYS 51 Cb -0.13 -3.03 0.02 0.00 -0.52 0.00 0.00 37.83 34.17 2crq s LYS 51 CO 0.03 0.72 0.15 0.54 -0.92 0.00 0.00 175.35 175.87 2crq n ARG 52 N 1.61 0.79 -4.18 1.68 1.74 -0.74 -3.14 116.66 114.42 2crq n ARG 52 Ca -0.16 -3.40 -0.11 0.00 -0.77 0.00 0.00 57.85 53.41 2crq n ARG 52 Cb 0.54 0.70 -0.10 0.00 -1.02 0.00 0.00 32.46 32.58 2crq n ARG 52 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2crq s ARG 53 N -3.89 0.88 0.18 5.56 1.81 -1.26 -4.99 118.95 117.23 2crq s ARG 53 Ca 0.12 -1.37 0.09 0.00 -1.72 0.00 0.00 55.73 52.84 2crq s ARG 53 Cb -0.01 -0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.27 2crq s ARG 53 CO 0.07 -0.05 1.38 -0.22 -0.68 0.00 0.00 175.30 175.80 2crq h LYS 54 N 2.92 0.00 0.00 3.54 1.63 -2.01 -3.25 116.57 119.39 2crq h LYS 54 Ca -0.35 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 2crq h LYS 54 Cb 1.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 2crq h LYS 54 CO 0.64 0.85 -1.38 -0.40 -3.45 0.00 0.00 179.45 175.71 2crq n ASP 55 N -3.42 0.47 -4.68 4.20 5.75 -1.26 -4.96 116.55 112.64 2crq n ASP 55 Ca 0.00 -0.05 -0.31 0.00 -0.01 0.00 0.00 54.79 54.43 2crq n ASP 55 Cb 0.84 1.17 0.16 0.00 -1.03 0.00 0.00 41.12 42.26 2crq n ASP 55 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2crq s ALA 56 N -3.35 1.44 -0.61 2.12 0.00 -1.23 -4.87 121.76 115.27 2crq s ALA 56 Ca -0.01 0.38 -0.06 0.00 0.00 0.00 0.00 51.96 52.26 2crq s ALA 56 Cb 0.13 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.76 2crq s ALA 56 CO 0.84 -2.62 3.18 -0.85 0.00 0.00 0.00 175.76 176.31 2crq n GLU 57 N -4.12 2.75 -0.98 0.00 0.28 -1.26 -4.89 120.64 112.42 2crq n GLU 57 Ca 0.10 -1.80 -0.32 0.00 -0.16 0.00 0.00 57.16 54.98 2crq n GLU 57 Cb 0.53 -2.28 -0.00 0.00 1.43 0.00 0.00 31.44 31.11 2crq n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2crq n GLN 58 N 2.35 0.00 -3.44 3.44 -0.00 -1.26 -4.98 117.38 113.49 2crq n GLN 58 Ca 0.55 0.00 0.02 0.00 -0.00 0.00 0.00 57.00 57.56 2crq n GLN 58 Cb 0.62 -0.75 -0.05 0.00 -0.00 0.00 0.00 30.24 30.06 2crq n GLN 58 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2crq s SER 59 N -0.75 -0.31 0.38 2.61 0.01 -1.26 -5.01 113.70 109.37 2crq s SER 59 Ca 0.45 0.46 0.12 0.00 1.31 0.00 0.00 55.95 58.28 2crq s SER 59 Cb -0.49 1.27 0.92 0.00 0.21 0.00 0.00 66.02 67.94 2crq s SER 59 CO 0.47 -0.07 1.88 -0.33 0.41 0.00 0.00 173.24 175.60 2crq h GLU 60 N 6.59 0.56 -0.22 12.44 3.07 -1.99 0.32 114.58 135.35 2crq h GLU 60 Ca -0.20 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 58.51 2crq h GLU 60 Cb 1.14 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.93 2crq h GLU 60 CO 0.13 0.37 -0.32 0.93 -1.40 0.00 0.00 179.01 178.72 2crq h GLU 61 N 0.57 0.60 0.06 2.33 3.07 -1.99 -2.38 114.58 116.84 2crq h GLU 61 Ca 0.43 -0.36 -0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2crq h GLU 61 Cb 0.83 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 2crq h GLU 61 CO -0.18 0.96 -0.03 0.93 -1.40 0.00 0.00 179.01 179.30 2crq h GLU 62 N 0.29 -0.08 0.17 2.33 5.08 -1.59 -1.72 114.58 119.07 2crq h GLU 62 Ca 0.02 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2crq h GLU 62 Cb 0.91 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 2crq h GLU 62 CO 0.07 0.09 -0.27 1.15 -1.00 0.00 0.00 179.01 179.05 2crq h THR 63 N -0.23 0.41 -0.22 1.13 2.02 -1.05 -2.84 112.91 112.13 2crq h THR 63 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 2crq h THR 63 Cb 0.20 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 2crq h THR 63 CO 0.01 0.00 -0.21 -0.33 0.37 0.00 0.00 175.52 175.36 2crq h GLU 64 N -0.52 -0.22 -0.79 6.66 5.08 -1.42 -2.32 114.58 121.05 2crq h GLU 64 Ca 0.02 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.52 2crq h GLU 64 Cb 0.52 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.69 2crq h GLU 64 CO -0.12 -0.15 -0.30 0.39 -1.00 0.00 0.00 179.01 177.83 2crq n GLU 65 N -5.36 -0.17 -0.05 2.33 1.02 -0.65 -1.09 120.64 116.67 2crq n GLU 65 Ca -0.01 1.22 -0.01 0.00 -0.02 0.00 0.00 57.16 58.34 2crq n GLU 65 Cb 0.27 -1.82 -0.01 0.00 -0.02 0.00 0.00 31.44 29.86 2crq n GLU 65 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2crq n ILE 66 N -5.18 -0.09 -0.31 -3.67 2.08 -0.87 0.69 119.36 112.01 2crq n ILE 66 Ca 0.09 1.34 0.13 0.00 0.56 0.00 0.00 62.75 64.86 2crq n ILE 66 Cb 0.33 -1.76 0.30 0.00 -0.75 0.00 0.00 39.64 37.76 2crq n ILE 66 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 2crq h PHE 67 N 0.00 0.67 -0.88 1.39 0.04 -1.24 0.25 116.94 117.18 2crq h PHE 67 Ca 0.02 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 2crq h PHE 67 Cb 0.05 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.00 2crq h PHE 67 CO -0.78 -0.02 0.48 -0.97 -0.60 0.00 0.00 178.31 176.42 2crq h ASN 68 N 0.43 1.09 -0.93 2.17 -1.24 0.58 -1.09 115.58 116.59 2crq h ASN 68 Ca 0.55 -0.09 0.02 0.00 0.71 0.00 0.00 56.30 57.48 2crq h ASN 68 Cb 1.02 -0.28 -0.05 0.00 0.73 0.00 0.00 38.32 39.75 2crq h ASN 68 CO -0.51 0.88 0.61 1.56 -1.29 0.00 0.00 177.43 178.68 2crq h GLN 69 N 1.23 1.20 -0.14 6.67 4.20 0.34 -2.05 115.11 126.56 2crq h GLN 69 Ca 0.31 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.86 2crq h GLN 69 Cb 0.02 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.53 2crq h GLN 69 CO -0.05 0.79 -0.25 0.82 -0.67 0.00 0.00 178.83 179.47 2crq h ILE 70 N 1.24 1.36 -0.62 2.54 2.04 -0.96 -3.11 117.51 120.00 2crq h ILE 70 Ca 0.35 -1.50 0.14 0.00 1.00 0.00 0.00 64.86 64.85 2crq h ILE 70 Cb -0.11 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 2crq h ILE 70 CO -0.09 0.45 0.43 0.25 0.00 0.00 0.00 178.15 179.19 2crq h LEU 71 N 0.03 0.22 -1.53 1.44 5.85 -0.94 0.19 115.31 120.56 2crq h LEU 71 Ca 0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2crq h LEU 71 Cb 0.84 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2crq h LEU 71 CO 0.06 0.12 0.08 1.56 -0.34 0.00 0.00 178.44 179.91 2crq h GLN 72 N 0.23 0.00 0.00 1.25 4.20 -1.30 0.28 115.11 119.78 2crq h GLN 72 Ca 0.30 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.99 2crq h GLN 72 Cb 0.85 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.63 2crq h GLN 72 CO -0.06 0.00 -1.54 0.25 -0.67 0.00 0.00 178.83 176.81 2crq n THR 73 N -2.34 0.36 -2.54 -0.54 -2.24 0.65 -4.39 114.28 103.23 2crq n THR 73 Ca -0.02 -0.54 -0.13 0.00 -2.27 0.00 0.00 64.05 61.10 2crq n THR 73 Cb 0.11 -0.19 0.03 0.00 -2.10 0.00 0.00 70.33 68.18 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 -2.48 2.31 0.16 -0.78 0.00 0.77 -4.85 117.12 112.25 2crq n MET 74 Ca -0.03 -3.78 0.13 0.00 0.00 0.00 0.00 57.70 54.02 2crq n MET 74 Cb 0.59 -1.78 0.54 0.00 0.00 0.00 0.00 33.22 32.56 2crq n MET 74 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 2crq h PRO 75 N 2.62 0.00 0.00 3.17 0.13 -1.13 0.32 132.00 137.11 2crq h PRO 75 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2crq h PRO 75 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2crq h PRO 75 CO 0.53 0.00 -0.03 -0.25 -0.23 0.00 0.00 178.00 178.02 2crq n ASP 76 N -2.42 1.99 0.00 1.44 9.92 -1.26 -4.72 116.55 121.51 2crq n ASP 76 Ca 0.02 -2.53 0.00 0.00 -0.53 0.00 0.00 54.79 51.75 2crq n ASP 76 Cb 0.24 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 2crq n ASP 76 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2crq n ILE 77 N -0.94 0.00 -4.42 0.53 3.06 -1.04 -4.90 119.36 111.65 2crq n ILE 77 Ca 0.08 0.00 -0.21 0.00 -2.50 0.00 0.00 62.75 60.12 2crq n ILE 77 Cb 0.49 -0.19 -0.10 0.00 0.54 0.00 0.00 39.64 40.38 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 -1.25 2.34 0.04 1.51 0.00 0.11 -1.77 121.76 122.74 2crq s ALA 78 Ca 0.00 -1.85 -0.12 0.00 0.00 0.00 0.00 51.96 49.99 2crq s ALA 78 Cb 0.00 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.18 2crq s ALA 78 CO 0.00 0.01 0.25 -0.08 0.00 0.00 0.00 175.76 175.95 2crq s THR 79 N -2.92 0.10 -0.84 0.00 -1.32 0.23 -4.47 115.64 106.41 2crq s THR 79 Ca 0.28 -0.79 -0.25 0.00 -1.21 0.00 0.00 61.69 59.72 2crq s THR 79 Cb 0.02 -0.94 -0.11 0.00 -1.51 0.00 0.00 72.50 69.96 2crq s THR 79 CO 0.11 -0.43 2.24 -0.36 -2.21 0.00 0.00 174.62 173.97 2crq s PHE 80 N -2.60 1.37 -0.03 9.09 0.08 -1.26 -1.47 117.98 123.16 2crq s PHE 80 Ca -0.05 1.54 -0.24 0.00 0.12 0.00 0.00 56.93 58.30 2crq s PHE 80 Cb -0.01 -3.64 -0.18 0.00 -0.57 0.00 0.00 43.02 38.62 2crq s PHE 80 CO -0.04 -1.59 1.14 1.03 -0.10 0.00 0.00 175.22 175.67 2crq h SER 81 N 12.14 -0.12 -3.51 1.36 0.87 -1.83 -3.41 113.55 119.04 2crq h SER 81 Ca 0.04 -0.40 -0.63 0.00 -1.23 0.00 0.00 61.79 59.57 2crq h SER 81 Cb 1.00 0.03 -0.40 0.00 -0.44 0.00 0.00 62.40 62.59 2crq h SER 81 CO 1.08 0.37 -0.73 -0.44 -0.53 0.00 0.00 176.83 176.57 2crq s SER 82 N -5.52 4.50 0.17 6.23 0.01 -1.19 -5.00 113.70 112.89 2crq s SER 82 Ca -0.15 -1.95 -0.31 0.00 1.31 0.00 0.00 55.95 54.86 2crq s SER 82 Cb 0.01 -1.36 -0.17 0.00 0.21 0.00 0.00 66.02 64.71 2crq s SER 82 CO 0.59 -0.39 0.73 0.54 0.41 0.00 0.00 173.24 175.13 2crq n ARG 83 N 4.46 0.24 -2.24 12.44 3.00 -1.26 -3.48 116.66 129.82 2crq n ARG 83 Ca 0.01 0.09 -0.41 0.00 -0.01 0.00 0.00 57.85 57.53 2crq n ARG 83 Cb 0.42 -1.26 -0.03 0.00 0.00 0.00 0.00 32.46 31.59 2crq n ARG 83 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2crq s PRO 84 N -0.82 4.44 0.06 5.56 0.04 -1.26 -4.83 135.00 138.18 2crq s PRO 84 Ca 0.69 2.05 -0.07 0.00 0.04 0.00 0.00 61.00 63.72 2crq s PRO 84 Cb -0.96 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 30.43 2crq s PRO 84 CO 0.56 -0.11 0.14 -1.59 0.04 0.00 0.00 177.00 176.04 2crq s LYS 85 N -1.11 0.70 -0.13 4.56 0.00 -1.24 -4.96 119.74 117.56 2crq s LYS 85 Ca 0.50 -0.85 -0.29 0.00 0.00 0.00 0.00 55.97 55.33 2crq s LYS 85 Cb -0.37 0.28 -0.04 0.00 0.00 0.00 0.00 37.83 37.70 2crq s LYS 85 CO 0.45 -0.20 1.70 0.00 0.00 0.00 0.00 175.35 177.30 2crq s ALA 86 N -3.19 3.39 0.28 0.59 0.00 -1.26 -3.10 121.76 118.48 2crq s ALA 86 Ca -0.00 0.75 0.07 0.00 0.00 0.00 0.00 51.96 52.78 2crq s ALA 86 Cb 0.02 -3.82 -0.03 0.00 0.00 0.00 0.00 23.12 19.28 2crq s ALA 86 CO -0.07 -1.76 0.23 0.96 0.00 0.00 0.00 175.76 175.12 2crq s ILE 87 N 4.91 4.11 -1.66 0.00 -4.36 0.54 -4.51 121.20 120.23 2crq s ILE 87 Ca 0.76 -1.39 0.00 0.00 -0.26 0.00 0.00 60.65 59.76 2crq s ILE 87 Cb -0.30 -3.32 0.00 0.00 1.25 0.00 0.00 42.46 40.09 2crq s ILE 87 CO 0.31 -0.28 0.00 0.54 0.24 0.00 0.00 174.94 175.74 2crq n ARG 88 N -1.25 -1.50 0.00 0.37 1.74 -1.26 -2.74 116.66 112.01 2crq n ARG 88 Ca -0.06 0.94 0.00 0.00 -0.77 0.00 0.00 57.85 57.97 2crq n ARG 88 Cb 0.59 -5.48 0.00 0.00 -1.02 0.00 0.00 32.46 26.55 2crq n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2crq n GLY 89 N -0.99 2.79 0.00 -0.13 0.00 -1.26 -4.42 105.19 101.18 2crq n GLY 89 Ca -0.22 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.06 0.00 -0.02 0.00 -1.11 -4.98 105.19 99.02 2crq n GLY 90 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2crq n GLY 90 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2crq n THR 91 N 0.00 0.00 -3.84 2.61 -1.04 -1.20 -5.00 114.28 105.80 2crq n THR 91 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 2crq n THR 91 Cb 0.00 -0.97 -0.08 0.00 -1.82 0.00 0.00 70.33 67.46 2crq n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2crq s ALA 92 N -1.97 -0.36 0.23 2.41 0.00 -1.24 -1.79 121.76 119.04 2crq s ALA 92 Ca 0.00 -0.30 0.07 0.00 0.00 0.00 0.00 51.96 51.73 2crq s ALA 92 Cb 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 2crq s ALA 92 CO 0.00 -0.37 0.16 -1.54 0.00 0.00 0.00 175.76 174.00 2crq s SER 93 N -2.14 5.40 -0.07 0.00 1.04 -0.56 -0.34 113.70 117.03 2crq s SER 93 Ca -0.04 -0.26 -0.03 0.00 0.48 0.00 0.00 55.95 56.10 2crq s SER 93 Cb -0.01 -1.35 0.04 0.00 0.10 0.00 0.00 66.02 64.81 2crq s SER 93 CO -0.04 -0.00 0.16 -0.32 0.98 0.00 0.00 173.24 174.01 2crq s MET 94 N -3.60 0.09 0.07 4.02 0.00 -1.18 -1.23 119.30 117.47 2crq s MET 94 Ca 0.32 0.41 -0.04 0.00 0.00 0.00 0.00 55.69 56.38 2crq s MET 94 Cb -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 34.83 34.53 2crq s MET 94 CO 0.24 -0.19 0.06 0.00 0.00 0.00 0.00 175.02 175.13 2crq s VAL 96 N -3.90 1.60 -0.17 0.00 1.01 -1.23 -0.59 120.40 117.13 2crq s VAL 96 Ca 0.06 -1.28 -0.03 0.00 0.00 0.00 0.00 61.98 60.74 2crq s VAL 96 Cb 0.07 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 2crq s VAL 96 CO -0.10 0.09 -0.06 -0.36 0.00 0.00 0.00 175.10 174.67 2crq s PHE 97 N -0.92 2.94 0.07 5.22 0.40 -1.02 -2.57 117.98 122.10 2crq s PHE 97 Ca 0.06 -0.59 0.04 0.00 -0.60 0.00 0.00 56.93 55.85 2crq s PHE 97 Cb -0.09 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.42 2crq s PHE 97 CO 0.02 -0.25 -0.02 0.50 0.70 0.00 0.00 175.22 176.18 2crq s ARG 98 N 0.73 2.53 0.39 0.44 3.52 -0.55 -3.86 118.95 122.16 2crq s ARG 98 Ca -0.03 -0.81 -0.18 0.00 -0.13 0.00 0.00 55.73 54.58 2crq s ARG 98 Cb -0.15 -2.53 -0.10 0.00 -1.56 0.00 0.00 34.95 30.62 2crq s ARG 98 CO 0.02 0.56 0.86 -1.58 -0.81 0.00 0.00 175.30 174.35 2crq s HIS 99 N -1.23 3.35 -1.30 5.12 5.65 -1.26 0.74 115.29 126.36 2crq s HIS 99 Ca 0.23 1.43 -0.18 0.00 0.25 0.00 0.00 55.06 56.79 2crq s HIS 99 Cb -0.12 -2.71 0.05 0.00 -1.18 0.00 0.00 32.58 28.62 2crq s HIS 99 CO 0.15 -0.05 1.83 1.28 -0.65 0.00 0.00 174.74 177.30 2crq n LEU 100 N -0.63 4.99 0.00 8.88 4.77 -0.73 -4.70 117.00 129.57 2crq n LEU 100 Ca 0.05 -3.85 0.00 0.00 -0.03 0.00 0.00 56.01 52.18 2crq n LEU 100 Cb 0.54 -1.72 0.00 0.00 -2.33 0.00 0.00 43.42 39.90 2crq n LEU 100 CO 0.40 0.06 0.00 -0.24 -1.33 0.00 0.00 177.39 176.28 2crq n SER 101 N 8.70 0.00 -0.07 -1.43 2.88 -1.26 -4.75 113.62 117.69 2crq n SER 101 Ca 0.49 0.21 -0.05 0.00 -1.33 0.00 0.00 58.87 58.19 2crq n SER 101 Cb 0.45 -0.46 -0.02 0.00 -0.75 0.00 0.00 64.21 63.43 2crq n SER 101 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2crq h LYS 102 N 0.00 0.00 -5.45 -1.46 1.79 -2.04 -3.42 116.57 105.98 2crq h LYS 102 Ca 0.00 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.82 2crq h LYS 102 Cb 0.00 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 30.50 2crq h LYS 102 CO 0.00 0.08 1.09 0.15 -1.08 0.00 0.00 179.45 179.70 2crq s LYS 103 N -2.12 3.59 -0.03 3.15 3.01 -1.26 -4.99 119.74 121.09 2crq s LYS 103 Ca -0.13 -1.51 0.01 0.00 -1.01 0.00 0.00 55.97 53.33 2crq s LYS 103 Cb 0.02 -5.09 -0.03 0.00 -1.01 0.00 0.00 37.83 31.72 2crq s LYS 103 CO 0.21 -1.94 -0.02 -1.83 0.51 0.00 0.00 175.35 172.27 2crq s GLU 104 N 3.59 2.77 0.80 1.68 -1.05 -1.26 -4.77 118.70 120.46 2crq s GLU 104 Ca 0.38 -0.58 -0.15 0.00 -0.15 0.00 0.00 54.97 54.47 2crq s GLU 104 Cb -0.03 -2.64 0.01 0.00 -0.44 0.00 0.00 34.13 31.03 2crq s GLU 104 CO -0.10 0.64 0.69 0.39 0.95 0.00 0.00 175.26 177.83 2crq n GLU 105 N 1.70 0.15 -1.52 -4.83 -0.58 -1.26 -4.62 120.64 109.68 2crq n GLU 105 Ca -0.16 0.10 -0.18 0.00 -0.42 0.00 0.00 57.16 56.50 2crq n GLU 105 Cb 0.53 -2.01 -0.16 0.00 -0.57 0.00 0.00 31.44 29.23 2crq n GLU 105 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2crq n LYS 106 N -1.63 0.22 -3.73 3.49 3.00 -1.26 -4.80 118.16 113.45 2crq n LYS 106 Ca 0.10 -0.35 -0.16 0.00 -0.00 0.00 0.00 58.31 57.90 2crq n LYS 106 Cb 0.51 -2.07 -0.06 0.00 0.00 0.00 0.00 35.03 33.41 2crq n LYS 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2crq n SER 107 N 10.76 0.15 -4.80 3.14 2.88 -1.26 -5.15 113.62 119.33 2crq n SER 107 Ca 0.58 -2.64 -0.38 0.00 -1.33 0.00 0.00 58.87 55.11 2crq n SER 107 Cb 0.26 1.06 -0.06 0.00 -0.75 0.00 0.00 64.21 64.72 2crq n SER 107 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2crq s GLY 108 N -2.80 2.71 -0.03 0.46 0.00 -1.26 -5.02 107.32 101.37 2crq s GLY 108 Ca 0.24 0.16 -0.30 0.00 0.00 0.00 0.00 44.72 44.82 2crq s GLY 108 CO 0.17 0.57 1.47 2.56 0.00 0.00 0.00 173.10 177.87 2crq s PRO 109 N -1.47 4.24 -0.30 2.90 0.04 -1.26 -4.99 135.00 134.16 2crq s PRO 109 Ca 0.36 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.35 2crq s PRO 109 Cb -0.19 -3.70 0.15 0.00 0.04 0.00 0.00 34.50 30.80 2crq s PRO 109 CO 0.22 -0.67 0.63 0.45 0.04 0.00 0.00 177.00 177.66 2crq s SER 110 N 2.30 -1.24 0.65 6.66 0.15 -1.26 -5.15 113.70 115.80 2crq s SER 110 Ca 0.66 1.31 -0.18 0.00 0.70 0.00 0.00 55.95 58.44 2crq s SER 110 Cb -0.31 2.25 -0.01 0.00 -1.71 0.00 0.00 66.02 66.24 2crq s SER 110 CO 0.26 -0.24 1.28 -0.24 1.20 0.00 0.00 173.24 175.51 2crq n SER 111 N 5.44 2.03 0.00 5.45 2.88 -1.26 -5.25 113.62 122.91 2crq n SER 111 Ca -0.08 0.83 0.12 0.00 -1.33 0.00 0.00 58.87 58.41 2crq n SER 111 Cb 0.50 -1.55 0.73 0.00 -0.75 0.00 0.00 64.21 63.13 2crq n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42