#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 -0.08 0.01 1.61 1.04 -1.26 -5.16 113.70 109.86 2crq s SER 2 Ca 0.00 0.05 -0.29 0.00 0.48 0.00 0.00 55.95 56.19 2crq s SER 2 Cb 0.00 0.29 0.11 0.00 0.10 0.00 0.00 66.02 66.52 2crq s SER 2 CO 0.00 -0.27 1.24 -0.94 0.98 0.00 0.00 173.24 174.25 2crq s SER 3 N -0.83 -0.06 -0.05 7.02 1.04 -1.26 -5.17 113.70 114.39 2crq s SER 3 Ca -0.09 -0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.16 2crq s SER 3 Cb -0.05 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.30 2crq s SER 3 CO 0.01 -0.40 -0.10 -0.83 0.98 0.00 0.00 173.24 172.90 2crq s GLY 4 N -3.11 0.67 -0.04 7.32 0.00 -1.26 -5.13 107.32 105.77 2crq s GLY 4 Ca 0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 44.72 44.54 2crq s GLY 4 CO -0.02 0.13 0.09 -0.56 0.00 0.00 0.00 173.10 172.74 2crq s SER 5 N 0.60 -0.06 0.37 1.64 0.01 -1.26 -5.16 113.70 109.83 2crq s SER 5 Ca -0.11 0.19 0.08 0.00 1.31 0.00 0.00 55.95 57.42 2crq s SER 5 Cb -0.14 0.13 -0.07 0.00 0.21 0.00 0.00 66.02 66.15 2crq s SER 5 CO 0.02 -0.09 -0.04 -0.44 0.41 0.00 0.00 173.24 173.11 2crq s SER 6 N 0.62 3.85 0.00 2.44 0.01 -1.26 -5.04 113.70 114.32 2crq s SER 6 Ca -0.05 -1.24 0.00 0.00 1.31 0.00 0.00 55.95 55.98 2crq s SER 6 Cb -0.07 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.78 2crq s SER 6 CO -0.03 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.93 2crq n GLY 7 N -0.89 0.37 3.77 3.44 0.00 -1.26 -5.15 105.19 105.48 2crq n GLY 7 Ca -0.05 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 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 2.39 0.01 1.61 0.04 -1.26 -5.07 135.00 132.72 2crq s PRO 8 Ca 0.00 1.22 0.05 0.00 0.04 0.00 0.00 61.00 62.31 2crq s PRO 8 Cb 0.00 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2crq s PRO 8 CO 0.00 -1.55 -0.16 -1.59 0.04 0.00 0.00 177.00 173.74 2crq s LYS 9 N -4.71 1.15 0.32 4.56 0.00 -1.26 -5.15 119.74 114.66 2crq s LYS 9 Ca 0.63 -0.67 0.10 0.00 0.00 0.00 0.00 55.97 56.03 2crq s LYS 9 Cb -0.18 -1.15 -0.06 0.00 0.00 0.00 0.00 37.83 36.44 2crq s LYS 9 CO 0.52 0.30 -0.13 0.95 0.00 0.00 0.00 175.35 177.00 2crq s THR 10 N -0.58 2.32 -0.03 3.79 -4.23 -1.26 -5.16 115.64 110.50 2crq s THR 10 Ca 0.05 -2.26 -0.19 0.00 -1.18 0.00 0.00 61.69 58.10 2crq s THR 10 Cb -0.07 -2.54 0.04 0.00 1.34 0.00 0.00 72.50 71.26 2crq s THR 10 CO 0.00 -0.26 0.40 -0.83 -0.54 0.00 0.00 174.62 173.40 2crq s GLY 11 N -3.58 -0.26 0.45 3.99 0.00 -1.26 -5.04 107.32 101.62 2crq s GLY 11 Ca 0.32 0.61 0.24 0.00 0.00 0.00 0.00 44.72 45.88 2crq s GLY 11 CO 0.16 0.37 1.87 -0.56 0.00 0.00 0.00 173.10 174.94 2crq h PRO 12 N 3.74 0.00 -1.94 2.90 0.13 -2.09 -3.44 132.00 131.30 2crq h PRO 12 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2crq h PRO 12 Cb 1.17 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.08 2crq h PRO 12 CO 0.39 0.23 0.13 -0.08 -0.23 0.00 0.00 178.00 178.44 2crq s THR 13 N -3.80 0.00 -0.12 1.56 -1.32 -1.26 -5.16 115.64 105.55 2crq s THR 13 Ca -0.01 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.43 2crq s THR 13 Cb 0.11 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.16 2crq s THR 13 CO 0.63 0.00 0.24 -0.04 -2.21 0.00 0.00 174.62 173.24 2crq s MET 14 N 0.97 0.13 -0.02 7.08 -1.94 -1.26 -5.15 119.30 119.11 2crq s MET 14 Ca -0.05 0.68 0.01 0.00 -1.71 0.00 0.00 55.69 54.63 2crq s MET 14 Cb -0.05 -0.09 0.01 0.00 2.01 0.00 0.00 34.83 36.71 2crq s MET 14 CO -0.10 -0.27 -0.03 0.99 -0.01 0.00 0.00 175.02 175.60 2crq s THR 15 N 2.25 0.29 -0.10 2.05 2.01 -1.26 -4.51 115.64 116.37 2crq s THR 15 Ca 0.00 -0.07 -0.00 0.00 0.31 0.00 0.00 61.69 61.93 2crq s THR 15 Cb -0.12 -0.31 0.02 0.00 0.01 0.00 0.00 72.50 72.11 2crq s THR 15 CO -0.08 0.13 -0.08 -0.54 -0.69 0.00 0.00 174.62 173.36 2crq s LYS 16 N 0.45 1.48 0.42 4.92 -0.14 -1.25 -5.07 119.74 120.55 2crq s LYS 16 Ca -0.05 -0.25 0.07 0.00 -1.36 0.00 0.00 55.97 54.39 2crq s LYS 16 Cb -0.08 -1.51 -0.05 0.00 -1.68 0.00 0.00 37.83 34.52 2crq s LYS 16 CO -0.01 -0.23 0.18 -1.83 -0.76 0.00 0.00 175.35 172.71 2crq s GLU 17 N 1.56 2.23 -0.13 1.68 4.04 -1.26 -3.65 118.70 123.16 2crq s GLU 17 Ca 0.02 -1.86 -0.13 0.00 0.04 0.00 0.00 54.97 53.04 2crq s GLU 17 Cb -0.13 -1.98 0.04 0.00 0.02 0.00 0.00 34.13 32.08 2crq s GLU 17 CO -0.06 -0.13 0.36 -1.17 -1.84 0.00 0.00 175.26 172.42 2crq s LEU 18 N -3.91 0.61 -0.04 1.83 2.96 -1.14 -4.94 118.68 114.04 2crq s LEU 18 Ca 0.40 0.71 -0.09 0.00 -0.22 0.00 0.00 54.13 54.94 2crq s LEU 18 Cb 0.04 1.26 0.02 0.00 0.50 0.00 0.00 46.19 48.00 2crq s LEU 18 CO 0.22 -0.14 0.21 0.54 -1.32 0.00 0.00 176.35 175.87 2crq s VAL 19 N 0.14 0.04 0.26 1.68 0.11 -1.26 -0.84 120.40 120.53 2crq s VAL 19 Ca -0.01 -0.31 -0.18 0.00 -2.93 0.00 0.00 61.98 58.55 2crq s VAL 19 Cb -0.03 -0.41 0.01 0.00 -1.53 0.00 0.00 36.38 34.43 2crq s VAL 19 CO 0.01 -0.17 0.63 0.72 -3.33 0.00 0.00 175.10 172.95 2crq s PHE 20 N -0.63 -0.01 0.27 1.54 -0.71 -1.14 -5.00 117.98 112.31 2crq s PHE 20 Ca -0.07 -0.41 -0.29 0.00 -1.04 0.00 0.00 56.93 55.12 2crq s PHE 20 Cb -0.04 0.52 -0.09 0.00 -1.21 0.00 0.00 43.02 42.19 2crq s PHE 20 CO 0.01 -1.13 1.00 -1.54 -1.34 0.00 0.00 175.22 172.22 2crq s SER 21 N -2.95 7.42 0.38 1.98 1.04 -1.26 -2.81 113.70 117.50 2crq s SER 21 Ca 0.15 2.06 0.18 0.00 0.48 0.00 0.00 55.95 58.81 2crq s SER 21 Cb -0.04 -2.61 0.99 0.00 0.10 0.00 0.00 66.02 64.46 2crq s SER 21 CO 0.07 -0.02 1.50 0.28 0.98 0.00 0.00 173.24 176.05 2crq h SER 22 N 3.81 0.00 -0.54 7.02 0.02 -1.81 0.62 113.55 122.66 2crq h SER 22 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2crq h SER 22 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2crq h SER 22 CO 0.67 0.00 0.00 -3.20 -1.14 0.00 0.00 176.83 173.16 2crq n ASN 23 N -2.24 5.44 -0.12 3.07 2.85 -1.26 -4.53 115.26 118.46 2crq n ASN 23 Ca -0.01 -2.86 -0.05 0.00 -0.11 0.00 0.00 54.58 51.55 2crq n ASN 23 Cb 0.25 -0.67 0.03 0.00 1.24 0.00 0.00 39.78 40.63 2crq n ASN 23 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 2crq h ILE 24 N 3.77 0.76 0.00 -1.44 2.10 -0.12 -3.49 117.51 119.09 2crq h ILE 24 Ca 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.88 2crq h ILE 24 Cb 1.88 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 38.18 2crq h ILE 24 CO 0.46 0.03 0.00 0.61 -1.08 0.00 0.00 178.15 178.17 2crq n GLY 25 N -1.26 2.17 0.15 8.18 0.00 -1.26 -4.43 105.19 108.75 2crq n GLY 25 Ca 0.03 -1.99 -0.19 0.00 0.00 0.00 0.00 46.02 43.86 2crq n GLY 25 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2crq h GLN 26 N 0.00 0.47 -0.52 1.61 5.75 -1.98 -1.65 115.11 118.80 2crq h GLN 26 Ca 0.00 -0.67 -0.10 0.00 -0.15 0.00 0.00 58.65 57.73 2crq h GLN 26 Cb 0.00 0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 2crq h GLN 26 CO 0.00 1.29 -0.08 0.45 -2.65 0.00 0.00 178.83 177.85 2crq h HIS 27 N 0.19 1.03 0.08 3.99 3.86 -2.01 -2.05 115.15 120.25 2crq h HIS 27 Ca -0.16 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 58.85 2crq h HIS 27 Cb 1.91 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 30.12 2crq h HIS 27 CO 0.09 0.96 -0.04 -0.44 0.86 0.00 0.00 177.93 179.36 2crq h ASP 28 N 0.85 -0.09 -0.99 2.45 3.32 -1.77 -3.30 116.42 116.89 2crq h ASP 28 Ca 0.14 -0.49 0.23 0.00 0.02 0.00 0.00 57.03 56.93 2crq h ASP 28 Cb 0.60 0.02 -0.09 0.00 0.22 0.00 0.00 39.33 40.09 2crq h ASP 28 CO 0.04 0.58 0.63 0.25 -1.72 0.00 0.00 179.24 179.02 2crq h LEU 29 N -0.91 0.54 -0.72 1.55 5.85 -1.35 -1.92 115.31 118.36 2crq h LEU 29 Ca -0.01 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.88 2crq h LEU 29 Cb 0.57 -0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.47 2crq h LEU 29 CO 0.02 0.16 -0.48 -0.78 -0.34 0.00 0.00 178.44 177.02 2crq h ASP 30 N 0.51 -1.68 0.18 1.25 3.58 -1.44 -1.11 116.42 117.71 2crq h ASP 30 Ca 0.56 0.27 0.01 0.00 0.42 0.00 0.00 57.03 58.30 2crq h ASP 30 Cb 1.23 0.77 -0.03 0.00 1.72 0.00 0.00 39.33 43.02 2crq h ASP 30 CO -0.30 -0.31 -0.30 0.74 -2.88 0.00 0.00 179.24 176.19 2crq h THR 31 N -0.16 0.36 -0.93 2.25 2.02 -1.50 -2.61 112.91 112.34 2crq h THR 31 Ca 0.19 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.54 2crq h THR 31 Cb 0.54 0.36 -0.17 0.00 -1.74 0.00 0.00 68.15 67.14 2crq h THR 31 CO -0.78 0.00 -0.27 0.11 0.37 0.00 0.00 175.52 174.94 2crq h LYS 32 N -0.56 -0.01 -0.44 6.66 1.79 -1.23 0.87 116.57 123.65 2crq h LYS 32 Ca 0.02 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.56 2crq h LYS 32 Cb 0.56 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.12 2crq h LYS 32 CO -0.14 -0.01 -0.43 0.77 -1.08 0.00 0.00 179.45 178.56 2crq h SER 33 N -0.01 -1.46 -0.82 0.86 0.02 -0.90 0.10 113.55 111.35 2crq h SER 33 Ca 0.42 0.22 0.14 0.00 -0.84 0.00 0.00 61.79 61.73 2crq h SER 33 Cb 0.66 0.64 -0.09 0.00 0.14 0.00 0.00 62.40 63.75 2crq h SER 33 CO -0.96 -0.36 0.41 0.11 -1.14 0.00 0.00 176.83 174.89 2crq h LYS 34 N -0.31 0.58 -0.30 3.45 1.57 -0.81 -0.59 116.57 120.16 2crq h LYS 34 Ca 0.14 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2crq h LYS 34 Cb 0.58 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2crq h LYS 34 CO -0.60 0.39 0.19 1.96 -0.57 0.00 0.00 179.45 180.82 2crq h GLN 35 N 0.60 0.40 -0.11 3.15 1.08 -0.21 -2.87 115.11 117.14 2crq h GLN 35 Ca 0.44 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 2crq h GLN 35 Cb 0.60 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 2crq h GLN 35 CO -0.35 0.29 0.07 0.82 -0.95 0.00 0.00 178.83 178.71 2crq h ILE 36 N 0.39 1.02 -0.70 2.54 2.04 0.21 -2.86 117.51 120.15 2crq h ILE 36 Ca 0.11 -0.05 0.14 0.00 1.00 0.00 0.00 64.86 66.06 2crq h ILE 36 Cb -0.01 0.86 -0.13 0.00 -0.74 0.00 0.00 36.82 36.80 2crq h ILE 36 CO -0.02 0.03 -0.18 -0.61 0.00 0.00 0.00 178.15 177.37 2crq h GLN 37 N 0.15 -0.00 -1.24 2.37 4.15 -0.99 0.46 115.11 120.01 2crq h GLN 37 Ca 0.04 0.00 0.37 0.00 0.77 0.00 0.00 58.65 59.83 2crq h GLN 37 Cb -0.01 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 27.58 2crq h GLN 37 CO -0.01 -0.00 0.83 1.96 -1.93 0.00 0.00 178.83 179.67 2crq h GLN 38 N -0.00 0.17 0.15 1.69 4.20 -1.29 -1.82 115.11 118.21 2crq h GLN 38 Ca 0.34 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 2crq h GLN 38 Cb 0.51 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2crq h GLN 38 CO -0.72 0.11 -0.07 -1.49 -0.67 0.00 0.00 178.83 175.99 2crq h TRP 39 N 0.18 -0.19 -1.43 2.96 6.55 -0.16 -3.28 115.95 120.57 2crq h TRP 39 Ca 0.70 -0.00 0.46 0.00 0.95 0.00 0.00 58.89 61.00 2crq h TRP 39 Cb 2.21 0.06 -0.11 0.00 -0.86 0.00 0.00 29.16 30.47 2crq h TRP 39 CO -0.00 -0.12 0.97 -0.89 -1.05 0.00 0.00 178.44 177.35 2crq n ILE 40 N -3.55 -0.15 -0.18 1.49 2.08 -0.77 0.57 119.36 118.86 2crq n ILE 40 Ca -0.03 1.52 -0.02 0.00 0.56 0.00 0.00 62.75 64.78 2crq n ILE 40 Cb 0.08 -2.51 0.05 0.00 -0.75 0.00 0.00 39.64 36.51 2crq n ILE 40 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2crq h GLU 41 N 0.00 -0.01 -0.93 0.38 4.39 -1.41 0.52 114.58 117.51 2crq h GLU 41 Ca 0.81 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 60.44 2crq h GLU 41 Cb 2.86 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 31.47 2crq h GLU 41 CO -0.27 -0.01 0.09 1.63 -1.16 0.00 0.00 179.01 179.29 2crq n LYS 42 N -5.40 1.79 -3.98 2.33 5.02 0.19 -4.86 118.16 113.26 2crq n LYS 42 Ca 0.06 -0.91 -0.27 0.00 -2.02 0.00 0.00 58.31 55.17 2crq n LYS 42 Cb 0.30 -1.55 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 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 0.10 -3.33 -3.64 1.97 4.01 0.18 -4.93 118.16 112.52 2crq n LYS 43 Ca 0.13 0.40 -0.37 0.00 -0.51 0.00 0.00 58.31 57.97 2crq n LYS 43 Cb 0.68 -4.61 -0.07 0.00 -0.51 0.00 0.00 35.03 30.52 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 -3.88 3.53 -0.51 2.13 2.02 -1.24 -5.00 117.35 114.41 2crq s TYR 44 Ca 0.10 0.60 -0.26 0.00 -0.37 0.00 0.00 57.07 57.13 2crq s TYR 44 Cb -0.05 -2.21 -0.05 0.00 -0.40 0.00 0.00 41.96 39.25 2crq s TYR 44 CO 0.89 0.43 2.15 -1.01 -1.57 0.00 0.00 175.55 176.44 2crq s HIS 45 N -0.15 1.35 -0.47 2.71 3.76 -1.26 -4.42 115.29 116.81 2crq s HIS 45 Ca 0.16 1.15 -0.20 0.00 -0.15 0.00 0.00 55.06 56.02 2crq s HIS 45 Cb -0.13 -3.83 0.04 0.00 1.11 0.00 0.00 32.58 29.77 2crq s HIS 45 CO 0.04 -2.58 0.61 0.08 -0.85 0.00 0.00 174.74 172.05 2crq s VAL 46 N 10.43 4.87 -0.54 -0.90 1.01 -1.24 -3.83 120.40 130.20 2crq s VAL 46 Ca 0.85 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 62.45 2crq s VAL 46 Cb -0.17 -4.23 0.10 0.00 0.00 0.00 0.00 36.38 32.09 2crq s VAL 46 CO 0.25 -0.68 0.56 -1.58 0.00 0.00 0.00 175.10 173.66 2crq s GLN 47 N 2.67 3.02 0.24 2.72 0.74 -1.24 -1.84 119.66 125.97 2crq s GLN 47 Ca 0.18 -1.43 -0.15 0.00 0.05 0.00 0.00 55.36 54.01 2crq s GLN 47 Cb -0.17 -4.24 -0.08 0.00 1.10 0.00 0.00 33.01 29.62 2crq s GLN 47 CO 0.15 -1.34 0.66 0.08 -0.55 0.00 0.00 175.29 174.30 2crq s VAL 48 N 2.08 4.72 -0.02 1.34 1.01 0.17 -2.86 120.40 126.84 2crq s VAL 48 Ca 0.07 0.95 -0.00 0.00 0.00 0.00 0.00 61.98 63.00 2crq s VAL 48 Cb -0.26 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.44 2crq s VAL 48 CO 0.06 0.04 0.04 -0.89 0.00 0.00 0.00 175.10 174.35 2crq s THR 49 N -1.71 -0.06 -0.09 3.92 2.01 -0.02 -2.09 115.64 117.60 2crq s THR 49 Ca 0.46 0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.68 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 0.19 0.08 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.45 2crq s ILE 50 N 1.05 3.07 -0.08 1.82 1.01 -0.95 -2.89 121.20 124.24 2crq s ILE 50 Ca -0.09 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 2crq s ILE 50 Cb -0.12 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.06 2crq s ILE 50 CO -0.03 0.55 -0.00 -0.54 0.00 0.00 0.00 174.94 174.92 2crq s LYS 51 N -0.13 2.94 0.42 2.79 1.02 -1.12 -2.56 119.74 123.10 2crq s LYS 51 Ca -0.01 -0.44 0.04 0.00 0.02 0.00 0.00 55.97 55.58 2crq s LYS 51 Cb -0.14 -2.76 0.04 0.00 -0.52 0.00 0.00 37.83 34.45 2crq s LYS 51 CO 0.03 0.69 0.30 0.54 -0.92 0.00 0.00 175.35 176.00 2crq n ARG 52 N 2.08 0.87 -4.06 1.68 1.74 -1.24 -2.11 116.66 115.62 2crq n ARG 52 Ca -0.18 -2.66 -0.11 0.00 -0.77 0.00 0.00 57.85 54.12 2crq n ARG 52 Cb 0.53 0.31 -0.11 0.00 -1.02 0.00 0.00 32.46 32.17 2crq n ARG 52 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2crq s ARG 53 N -3.72 0.53 0.82 5.56 3.03 -1.26 -4.99 118.95 118.91 2crq s ARG 53 Ca 0.23 -0.84 -0.15 0.00 2.03 0.00 0.00 55.73 57.00 2crq s ARG 53 Cb -0.02 -0.15 -0.03 0.00 -1.03 0.00 0.00 34.95 33.72 2crq s ARG 53 CO 0.14 0.00 0.29 0.36 -1.13 0.00 0.00 175.30 174.97 2crq n LYS 54 N 1.18 0.05 -3.11 3.89 -0.00 -1.26 -1.44 118.16 117.47 2crq n LYS 54 Ca -0.21 0.06 -0.15 0.00 -0.00 0.00 0.00 58.31 58.01 2crq n LYS 54 Cb 0.56 -1.70 -0.03 0.00 -0.00 0.00 0.00 35.03 33.87 2crq n LYS 54 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2crq n ASP 55 N -0.04 -1.22 -4.55 -5.58 -0.08 -1.26 -4.70 116.55 99.12 2crq n ASP 55 Ca 0.07 -0.14 -0.39 0.00 -1.51 0.00 0.00 54.79 52.82 2crq n ASP 55 Cb 0.52 -1.14 -0.05 0.00 2.34 0.00 0.00 41.12 42.79 2crq n ASP 55 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2crq n ALA 56 N -2.89 0.95 -0.42 -1.67 0.00 -0.52 -4.86 120.51 111.10 2crq n ALA 56 Ca 0.04 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2crq n ALA 56 Cb 0.45 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 16.89 2crq n ALA 56 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2crq n GLU 57 N 8.85 0.00 -1.63 0.00 1.02 -1.26 -4.30 120.64 123.31 2crq n GLU 57 Ca 0.39 0.52 -0.52 0.00 -0.02 0.00 0.00 57.16 57.52 2crq n GLU 57 Cb 0.45 -0.88 -0.06 0.00 -0.02 0.00 0.00 31.44 30.93 2crq n GLU 57 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2crq n GLN 58 N -1.65 1.28 -0.52 3.49 3.00 -1.26 -4.91 117.38 116.81 2crq n GLN 58 Ca 0.00 0.46 -0.29 0.00 -0.01 0.00 0.00 57.00 57.16 2crq n GLN 58 Cb 0.00 -2.13 0.23 0.00 0.00 0.00 0.00 30.24 28.33 2crq n GLN 58 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2crq n SER 59 N 3.35 -2.41 -0.02 1.08 7.64 -1.26 -4.86 113.62 117.13 2crq n SER 59 Ca 0.20 -0.27 -0.05 0.00 1.01 0.00 0.00 58.87 59.76 2crq n SER 59 Cb 0.19 -1.07 0.16 0.00 -1.01 0.00 0.00 64.21 62.47 2crq n SER 59 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2crq h GLU 60 N -2.61 0.58 -0.60 1.43 3.07 -1.91 -2.77 114.58 111.78 2crq h GLU 60 Ca -0.55 -0.23 0.13 0.00 -0.50 0.00 0.00 59.36 58.21 2crq h GLU 60 Cb 1.31 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.16 2crq h GLU 60 CO 0.41 0.78 0.41 0.93 -1.40 0.00 0.00 179.01 180.15 2crq h GLU 61 N 0.51 0.24 -0.04 2.33 5.08 -2.02 0.13 114.58 120.81 2crq h GLU 61 Ca 0.07 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 2crq h GLU 61 Cb 0.70 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2crq h GLU 61 CO 0.05 0.16 -0.28 0.93 -1.00 0.00 0.00 179.01 178.87 2crq h GLU 62 N 0.24 0.06 0.00 2.33 5.08 -1.82 -2.27 114.58 118.21 2crq h GLU 62 Ca 0.29 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 2crq h GLU 62 Cb 0.80 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2crq h GLU 62 CO -0.06 0.34 -0.07 1.15 -1.00 0.00 0.00 179.01 179.37 2crq h THR 63 N 0.06 0.52 -0.06 1.13 2.02 -0.84 -2.69 112.91 113.06 2crq h THR 63 Ca 0.01 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.79 2crq h THR 63 Cb 0.53 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2crq h THR 63 CO 0.04 0.07 -0.23 -0.08 0.37 0.00 0.00 175.52 175.68 2crq h GLU 64 N 0.00 0.26 -1.13 6.66 4.81 -1.45 -3.21 114.58 120.53 2crq h GLU 64 Ca -0.00 -0.20 0.38 0.00 -0.13 0.00 0.00 59.36 59.41 2crq h GLU 64 Cb 0.21 0.04 -0.14 0.00 0.63 0.00 0.00 28.75 29.48 2crq h GLU 64 CO 0.01 0.84 0.68 0.93 -0.73 0.00 0.00 179.01 180.74 2crq h GLU 65 N -0.25 0.16 -0.43 1.92 4.39 -1.52 -0.60 114.58 118.24 2crq h GLU 65 Ca -0.01 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.73 2crq h GLU 65 Cb 0.87 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.41 2crq h GLU 65 CO 0.05 0.11 -0.50 0.82 -1.16 0.00 0.00 179.01 178.32 2crq h ILE 66 N 0.17 0.00 -0.88 3.13 1.08 -1.63 0.12 117.51 119.50 2crq h ILE 66 Ca 0.78 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 65.49 2crq h ILE 66 Cb 2.14 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 35.76 2crq h ILE 66 CO -0.55 0.00 0.30 -0.26 -0.69 0.00 0.00 178.15 176.95 2crq h PHE 67 N -0.31 0.47 0.28 1.37 0.04 -1.29 -0.40 116.94 117.10 2crq h PHE 67 Ca 0.07 0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 2crq h PHE 67 Cb 0.51 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.60 2crq h PHE 67 CO -0.75 -0.16 -0.13 -0.91 -0.60 0.00 0.00 178.31 175.76 2crq h ASN 68 N 0.27 -0.32 -1.16 2.17 2.35 -0.90 -1.41 115.58 116.59 2crq h ASN 68 Ca 0.56 -0.07 0.33 0.00 -0.55 0.00 0.00 56.30 56.57 2crq h ASN 68 Cb 1.11 0.08 -0.08 0.00 0.05 0.00 0.00 38.32 39.49 2crq h ASN 68 CO -0.61 -0.13 0.79 1.56 -1.65 0.00 0.00 177.43 177.39 2crq h GLN 69 N -0.49 0.17 0.10 0.81 4.20 0.78 0.65 115.11 121.33 2crq h GLN 69 Ca -0.04 -0.01 -0.26 0.00 0.06 0.00 0.00 58.65 58.40 2crq h GLN 69 Cb 0.37 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 2crq h GLN 69 CO 0.06 0.11 -1.20 0.82 -0.67 0.00 0.00 178.83 177.96 2crq h ILE 70 N 0.17 1.54 0.00 2.54 2.04 -1.00 -3.26 117.51 119.54 2crq h ILE 70 Ca 0.61 -3.14 -0.08 0.00 1.00 0.00 0.00 64.86 63.25 2crq h ILE 70 Cb 2.02 2.92 -0.01 0.00 -0.74 0.00 0.00 36.82 41.01 2crq h ILE 70 CO -0.17 0.91 -0.37 0.25 0.00 0.00 0.00 178.15 178.77 2crq h LEU 71 N 0.06 0.00 -0.06 1.44 5.85 0.12 -3.03 115.31 119.69 2crq h LEU 71 Ca -0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2crq h LEU 71 Cb 1.93 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.96 2crq h LEU 71 CO 0.19 0.37 0.00 0.00 -0.34 0.00 0.00 178.44 178.65 2crq n GLN 72 N -3.34 0.01 -0.02 1.25 6.02 0.11 -1.00 117.38 120.40 2crq n GLN 72 Ca 0.01 0.45 0.02 0.00 -0.01 0.00 0.00 57.00 57.47 2crq n GLN 72 Cb 0.58 -1.52 -0.14 0.00 1.02 0.00 0.00 30.24 30.19 2crq n GLN 72 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2crq n THR 73 N -1.53 0.75 -2.45 5.09 -2.24 -1.14 -4.45 114.28 108.30 2crq n THR 73 Ca 0.01 -0.66 -0.17 0.00 -2.27 0.00 0.00 64.05 60.96 2crq n THR 73 Cb 0.04 -0.33 0.02 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.58 2.68 0.00 -0.78 0.00 -0.17 -4.83 117.12 111.44 2crq n MET 74 Ca -0.14 -3.95 0.07 0.00 0.00 0.00 0.00 57.70 53.68 2crq n MET 74 Cb 0.82 -1.93 0.33 0.00 0.00 0.00 0.00 33.22 32.44 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 -0.50 0.08 0.00 3.17 -0.04 -0.40 0.74 135.00 138.05 2crq n PRO 75 Ca 0.28 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 2crq n PRO 75 Cb 0.82 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 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 -1.42 0.81 0.00 3.54 5.75 -1.26 -4.71 116.55 119.26 2crq n ASP 76 Ca 0.05 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.80 2crq n ASP 76 Cb 0.15 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 2crq n ASP 76 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2crq n ILE 77 N -0.02 0.00 -3.97 2.12 3.06 -0.98 -4.60 119.36 114.97 2crq n ILE 77 Ca 0.00 -0.05 -0.08 0.00 -2.50 0.00 0.00 62.75 60.12 2crq n ILE 77 Cb 0.06 0.46 -0.09 0.00 0.54 0.00 0.00 39.64 40.61 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 -1.40 0.12 0.04 1.51 0.00 0.23 -3.46 121.76 118.79 2crq s ALA 78 Ca 0.00 -0.83 -0.13 0.00 0.00 0.00 0.00 51.96 51.01 2crq s ALA 78 Cb 0.00 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.46 2crq s ALA 78 CO 0.00 -0.39 0.28 -0.08 0.00 0.00 0.00 175.76 175.57 2crq s THR 79 N -3.43 0.09 -0.44 0.00 -1.32 0.41 -4.28 115.64 106.66 2crq s THR 79 Ca 0.02 -0.71 -0.30 0.00 -1.21 0.00 0.00 61.69 59.49 2crq s THR 79 Cb 0.04 -0.89 -0.10 0.00 -1.51 0.00 0.00 72.50 70.04 2crq s THR 79 CO -0.08 -0.39 2.33 0.49 -2.21 0.00 0.00 174.62 174.76 2crq n PHE 80 N 0.69 1.50 -0.09 9.09 3.72 -1.26 -2.75 117.46 128.36 2crq n PHE 80 Ca -0.19 0.15 -0.14 0.00 -0.05 0.00 0.00 57.45 57.22 2crq n PHE 80 Cb 0.59 -2.59 -0.08 0.00 -0.94 0.00 0.00 39.48 36.46 2crq n PHE 80 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2crq h SER 81 N 15.20 0.00 -3.75 4.37 0.87 -1.73 -3.45 113.55 125.06 2crq h SER 81 Ca -0.26 -0.39 -0.66 0.00 -1.23 0.00 0.00 61.79 59.24 2crq h SER 81 Cb 1.29 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 62.85 2crq h SER 81 CO 1.09 1.15 -0.71 -0.44 -0.53 0.00 0.00 176.83 177.39 2crq s SER 82 N -6.36 4.74 0.07 6.23 0.01 -0.94 -4.94 113.70 112.50 2crq s SER 82 Ca -0.21 -2.24 -0.30 0.00 1.31 0.00 0.00 55.95 54.51 2crq s SER 82 Cb 0.03 -1.63 -0.16 0.00 0.21 0.00 0.00 66.02 64.47 2crq s SER 82 CO 0.46 -0.37 0.73 -1.14 0.41 0.00 0.00 173.24 173.33 2crq n ARG 83 N 4.15 0.00 -2.05 12.44 3.00 -1.26 -3.00 116.66 129.94 2crq n ARG 83 Ca 0.04 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.62 2crq n ARG 83 Cb 0.41 -1.12 -0.05 0.00 0.00 0.00 0.00 32.46 31.70 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 -0.36 2.56 0.62 -0.14 0.04 -1.26 -4.71 135.00 131.75 2crq s PRO 84 Ca 0.69 -0.28 -0.04 0.00 0.04 0.00 0.00 61.00 61.42 2crq s PRO 84 Cb -0.98 -5.05 0.04 0.00 0.04 0.00 0.00 34.50 28.55 2crq s PRO 84 CO 0.49 -3.37 0.90 -1.59 0.04 0.00 0.00 177.00 173.47 2crq s LYS 85 N 7.01 2.46 0.07 4.56 -2.85 -1.16 -4.80 119.74 125.04 2crq s LYS 85 Ca 0.70 -0.39 -0.30 0.00 -1.00 0.00 0.00 55.97 54.97 2crq s LYS 85 Cb -0.07 -2.31 -0.05 0.00 -2.06 0.00 0.00 37.83 33.34 2crq s LYS 85 CO -0.00 -0.94 1.08 0.00 0.10 0.00 0.00 175.35 175.59 2crq s ALA 86 N -3.02 3.30 0.32 0.59 0.00 -1.26 -2.76 121.76 118.93 2crq s ALA 86 Ca 0.58 0.71 0.08 0.00 0.00 0.00 0.00 51.96 53.33 2crq s ALA 86 Cb -0.11 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 2crq s ALA 86 CO 0.42 -0.28 -0.07 0.96 0.00 0.00 0.00 175.76 176.79 2crq s ILE 87 N 0.68 1.99 -1.64 0.00 -4.36 0.25 -4.63 121.20 113.48 2crq s ILE 87 Ca 0.53 -2.16 -0.14 0.00 -0.26 0.00 0.00 60.65 58.62 2crq s ILE 87 Cb -0.26 -2.59 0.12 0.00 1.25 0.00 0.00 42.46 40.98 2crq s ILE 87 CO 0.30 -0.22 0.69 0.54 0.24 0.00 0.00 174.94 176.48 2crq n ARG 88 N -0.72 -3.14 0.00 0.37 1.74 -1.26 0.58 116.66 114.23 2crq n ARG 88 Ca -0.05 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 2crq n ARG 88 Cb 0.64 -4.93 0.00 0.00 -1.02 0.00 0.00 32.46 27.14 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 -1.57 2.89 0.00 -0.13 0.00 -1.26 -4.12 105.19 101.00 2crq n GLY 89 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 1.28 0.36 -0.02 0.00 0.20 -4.99 105.19 102.01 2crq n GLY 90 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 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 0.55 -1.61 2.61 1.35 -1.71 -3.41 112.91 110.68 2crq h THR 91 Ca 0.00 -0.19 -0.57 0.00 -0.55 0.00 0.00 66.41 65.10 2crq h THR 91 Cb 0.00 -0.05 -0.09 0.00 -1.73 0.00 0.00 68.15 66.28 2crq h THR 91 CO 0.00 0.10 -0.51 0.00 -0.25 0.00 0.00 175.52 174.86 2crq s ALA 92 N -5.71 3.54 0.06 6.62 0.00 -1.20 -3.72 121.76 121.34 2crq s ALA 92 Ca -0.10 -2.12 0.02 0.00 0.00 0.00 0.00 51.96 49.76 2crq s ALA 92 Cb 0.27 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 2crq s ALA 92 CO 0.80 -0.15 -0.07 0.45 0.00 0.00 0.00 175.76 176.78 2crq s SER 93 N -3.88 0.91 -0.01 0.00 0.15 -1.06 -0.59 113.70 109.22 2crq s SER 93 Ca 0.40 -0.71 0.01 0.00 0.70 0.00 0.00 55.95 56.36 2crq s SER 93 Cb 0.04 0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.42 2crq s SER 93 CO 0.22 -0.30 -0.03 -0.32 1.20 0.00 0.00 173.24 174.01 2crq s MET 94 N -2.37 0.39 0.03 5.44 1.75 -1.11 -2.23 119.30 121.19 2crq s MET 94 Ca -0.03 -0.09 -0.15 0.00 -1.25 0.00 0.00 55.69 54.18 2crq s MET 94 Cb -0.05 -0.43 0.02 0.00 2.84 0.00 0.00 34.83 37.22 2crq s MET 94 CO -0.02 0.01 0.32 0.00 -0.65 0.00 0.00 175.02 174.69 2crq s VAL 96 N -2.25 2.54 -0.08 0.00 1.01 -1.16 -0.65 120.40 119.80 2crq s VAL 96 Ca -0.07 -1.45 0.03 0.00 0.00 0.00 0.00 61.98 60.50 2crq s VAL 96 Cb -0.02 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 2crq s VAL 96 CO -0.01 0.23 -0.18 -0.36 0.00 0.00 0.00 175.10 174.77 2crq s PHE 97 N -0.99 2.65 0.17 5.22 0.08 -0.77 -1.97 117.98 122.38 2crq s PHE 97 Ca 0.15 -0.56 0.06 0.00 0.12 0.00 0.00 56.93 56.70 2crq s PHE 97 Cb -0.10 -1.70 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 2crq s PHE 97 CO 0.06 -0.12 -0.13 -0.98 -0.10 0.00 0.00 175.22 173.96 2crq s ARG 98 N -0.11 1.18 0.29 0.44 1.70 -1.11 -3.66 118.95 117.68 2crq s ARG 98 Ca -0.03 -1.49 -0.24 0.00 -0.47 0.00 0.00 55.73 53.50 2crq s ARG 98 Cb -0.14 -0.88 -0.09 0.00 -0.57 0.00 0.00 34.95 33.26 2crq s ARG 98 CO 0.04 0.14 0.87 -1.58 -1.08 0.00 0.00 175.30 173.68 2crq s HIS 99 N -3.04 3.67 -0.64 5.89 5.65 -1.26 -0.44 115.29 125.12 2crq s HIS 99 Ca 0.19 1.64 -0.27 0.00 0.25 0.00 0.00 55.06 56.87 2crq s HIS 99 Cb 0.00 -2.81 -0.12 0.00 -1.18 0.00 0.00 32.58 28.48 2crq s HIS 99 CO 0.04 0.25 2.47 1.28 -0.65 0.00 0.00 174.74 178.13 2crq n LEU 100 N 0.59 1.74 0.01 8.88 4.77 -1.22 -4.80 117.00 126.98 2crq n LEU 100 Ca 0.01 -0.46 -0.11 0.00 -0.03 0.00 0.00 56.01 55.42 2crq n LEU 100 Cb 0.50 -1.43 -0.08 0.00 -2.33 0.00 0.00 43.42 40.09 2crq n LEU 100 CO 0.44 -1.49 0.39 0.77 -1.33 0.00 0.00 177.39 176.17 2crq h SER 101 N 17.23 -0.11 -2.58 -1.43 4.64 -1.95 -3.46 113.55 125.89 2crq h SER 101 Ca -0.17 -0.47 -0.30 0.00 -0.47 0.00 0.00 61.79 60.38 2crq h SER 101 Cb 1.25 0.03 0.18 0.00 -0.31 0.00 0.00 62.40 63.55 2crq h SER 101 CO 1.21 0.52 -0.15 0.29 -0.87 0.00 0.00 176.83 177.83 2crq n LYS 102 N -4.84 -4.21 -0.52 4.77 5.02 -1.26 -4.81 118.16 112.31 2crq n LYS 102 Ca -0.08 -1.21 -0.06 0.00 -2.02 0.00 0.00 58.31 54.95 2crq n LYS 102 Cb 0.28 -1.62 0.02 0.00 -0.02 0.00 0.00 35.03 33.69 2crq n LYS 102 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2crq n LYS 103 N -4.92 1.29 0.00 1.97 2.85 -1.26 -4.53 118.16 113.55 2crq n LYS 103 Ca 0.11 -0.60 0.00 0.00 -1.05 0.00 0.00 58.31 56.78 2crq n LYS 103 Cb 0.50 -1.23 0.00 0.00 -0.65 0.00 0.00 35.03 33.64 2crq n LYS 103 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2crq n GLU 104 N 0.77 0.00 -3.82 -1.58 -0.58 -1.26 -4.89 120.64 109.28 2crq n GLU 104 Ca 0.12 0.31 -0.13 0.00 -0.42 0.00 0.00 57.16 57.04 2crq n GLU 104 Cb 0.59 -1.24 -0.14 0.00 -0.57 0.00 0.00 31.44 30.08 2crq n GLU 104 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2crq s GLU 105 N -2.02 0.08 0.55 3.49 0.41 -1.26 -5.16 118.70 114.79 2crq s GLU 105 Ca 0.00 0.16 0.01 0.00 -0.41 0.00 0.00 54.97 54.73 2crq s GLU 105 Cb 0.00 -0.02 0.03 0.00 -1.78 0.00 0.00 34.13 32.36 2crq s GLU 105 CO 0.00 -0.05 0.78 0.15 -0.49 0.00 0.00 175.26 175.65 2crq s LYS 106 N 0.33 2.56 0.00 1.61 -0.14 -1.26 -4.85 119.74 117.98 2crq s LYS 106 Ca -0.02 -0.73 0.04 0.00 -1.36 0.00 0.00 55.97 53.90 2crq s LYS 106 Cb -0.04 -2.47 -0.01 0.00 -1.68 0.00 0.00 37.83 33.63 2crq s LYS 106 CO -0.01 -0.71 -0.14 -1.54 -0.76 0.00 0.00 175.35 172.19 2crq s SER 107 N -4.42 1.62 0.00 2.83 1.04 -1.26 -4.93 113.70 108.58 2crq s SER 107 Ca 0.57 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.69 2crq s SER 107 Cb -0.10 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.86 2crq s SER 107 CO 0.39 0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.35 2crq n GLY 108 N 2.50 -3.25 3.76 7.32 0.00 -1.26 -4.96 105.19 109.30 2crq n GLY 108 Ca -0.15 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 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 2.13 0.27 1.61 0.04 -1.26 -5.08 135.00 132.71 2crq s PRO 109 Ca 0.00 1.13 -0.04 0.00 0.04 0.00 0.00 61.00 62.12 2crq s PRO 109 Cb 0.00 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 2crq s PRO 109 CO 0.00 -1.72 0.35 -1.54 0.04 0.00 0.00 177.00 174.13 2crq s SER 110 N -3.40 0.45 -0.11 6.66 1.04 -1.26 -5.16 113.70 111.92 2crq s SER 110 Ca 0.61 -1.31 -0.04 0.00 0.48 0.00 0.00 55.95 55.69 2crq s SER 110 Cb -0.17 0.54 0.06 0.00 0.10 0.00 0.00 66.02 66.55 2crq s SER 110 CO 0.56 -1.09 0.22 -0.44 0.98 0.00 0.00 173.24 173.48 2crq s SER 111 N -3.16 0.44 0.00 7.02 0.01 -1.26 -5.31 113.70 111.43 2crq s SER 111 Ca 0.32 0.49 0.32 0.00 1.31 0.00 0.00 55.95 58.39 2crq s SER 111 Cb 0.02 0.52 1.87 0.00 0.21 0.00 0.00 66.02 68.64 2crq s SER 111 CO 0.15 -0.23 2.21 0.61 0.41 0.00 0.00 173.24 176.39