#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 5.04 0.06 1.61 0.15 -1.26 -5.06 113.70 114.24 2crq s SER 2 Ca 0.00 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 55.97 2crq s SER 2 Cb 0.00 -0.73 0.00 0.00 -1.71 0.00 0.00 66.02 63.58 2crq s SER 2 CO 0.00 -0.49 0.00 -1.20 1.20 0.00 0.00 173.24 172.75 2crq n SER 3 N -1.41 0.18 -4.05 5.45 7.64 -1.26 -5.10 113.62 115.07 2crq n SER 3 Ca 0.00 0.09 -0.37 0.00 1.01 0.00 0.00 58.87 59.61 2crq n SER 3 Cb 0.61 -0.01 0.05 0.00 -1.01 0.00 0.00 64.21 63.86 2crq n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crq n GLY 4 N 2.47 -3.67 2.93 0.23 0.00 -1.26 -4.95 105.19 100.94 2crq n GLY 4 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.14 4.45 0.36 1.61 0.15 -1.26 -5.10 113.70 112.77 2crq s SER 5 Ca 0.41 -2.28 -0.25 0.00 0.70 0.00 0.00 55.95 54.53 2crq s SER 5 Cb -0.07 -1.44 -0.13 0.00 -1.71 0.00 0.00 66.02 62.67 2crq s SER 5 CO 0.74 -0.35 0.81 -0.24 1.20 0.00 0.00 173.24 175.40 2crq n SER 6 N 4.07 0.32 -4.21 5.45 2.88 -1.26 -4.99 113.62 115.88 2crq n SER 6 Ca 0.04 1.05 -0.21 0.00 -1.33 0.00 0.00 58.87 58.42 2crq n SER 6 Cb 0.39 -1.21 -0.12 0.00 -0.75 0.00 0.00 64.21 62.52 2crq n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2crq s GLY 7 N -0.78 0.99 0.00 0.46 0.00 -1.26 -5.01 107.32 101.72 2crq s GLY 7 Ca 0.62 -1.06 0.11 0.00 0.00 0.00 0.00 44.72 44.39 2crq s GLY 7 CO 0.58 -1.08 1.11 -1.55 0.00 0.00 0.00 173.10 172.16 2crq n PRO 8 N 1.30 0.49 -1.32 2.90 -0.04 -1.26 -4.87 135.00 132.20 2crq n PRO 8 Ca -0.20 0.00 -0.51 0.00 -0.04 0.00 0.00 63.50 62.74 2crq n PRO 8 Cb 0.54 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.56 2crq n PRO 8 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2crq n LYS 9 N -0.86 0.00 -4.05 0.54 3.00 -1.26 -4.92 118.16 110.61 2crq n LYS 9 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.27 2crq n LYS 9 Cb 0.04 -1.14 -0.12 0.00 0.00 0.00 0.00 35.03 33.81 2crq n LYS 9 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2crq s THR 10 N 2.34 0.38 0.00 3.15 -1.32 -1.26 -5.17 115.64 113.76 2crq s THR 10 Ca 0.80 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2crq s THR 10 Cb -1.14 -0.44 0.00 0.00 -1.51 0.00 0.00 72.50 69.41 2crq s THR 10 CO 0.62 -0.29 0.00 0.61 -2.21 0.00 0.00 174.62 173.35 2crq n GLY 11 N 1.89 1.41 3.77 6.08 0.00 -1.26 -5.09 105.19 112.00 2crq n GLY 11 Ca -0.20 -2.00 -0.32 0.00 0.00 0.00 0.00 46.02 43.50 2crq n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crq s PRO 12 N 0.68 2.60 -0.73 1.61 0.04 -1.26 -4.93 135.00 133.01 2crq s PRO 12 Ca 0.00 1.31 -0.26 0.00 0.04 0.00 0.00 61.00 62.08 2crq s PRO 12 Cb 0.00 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2crq s PRO 12 CO 0.00 -1.40 1.59 0.99 0.04 0.00 0.00 177.00 178.22 2crq s THR 13 N -2.55 3.57 0.46 1.26 2.01 -1.26 -4.97 115.64 114.15 2crq s THR 13 Ca 0.65 0.15 0.07 0.00 0.31 0.00 0.00 61.69 62.87 2crq s THR 13 Cb -0.19 -4.46 -0.01 0.00 0.01 0.00 0.00 72.50 67.85 2crq s THR 13 CO 0.47 -1.40 0.35 -0.04 -0.69 0.00 0.00 174.62 173.31 2crq s MET 14 N 6.31 2.38 -0.07 4.92 -1.94 -1.26 -5.13 119.30 124.50 2crq s MET 14 Ca 0.52 -1.75 -0.01 0.00 -1.71 0.00 0.00 55.69 52.74 2crq s MET 14 Cb -0.09 -2.22 0.03 0.00 2.01 0.00 0.00 34.83 34.56 2crq s MET 14 CO 0.14 -0.32 -0.00 0.99 -0.01 0.00 0.00 175.02 175.81 2crq s THR 15 N -2.60 0.43 0.22 2.05 2.01 -1.26 -4.18 115.64 112.31 2crq s THR 15 Ca 0.43 0.09 -0.09 0.00 0.31 0.00 0.00 61.69 62.43 2crq s THR 15 Cb -0.01 -0.57 -0.07 0.00 0.01 0.00 0.00 72.50 71.85 2crq s THR 15 CO 0.25 0.27 0.52 -0.54 -0.69 0.00 0.00 174.62 174.43 2crq s LYS 16 N 1.95 3.77 -0.07 4.92 -0.14 -0.57 -5.01 119.74 124.59 2crq s LYS 16 Ca 0.05 0.21 0.02 0.00 -1.36 0.00 0.00 55.97 54.89 2crq s LYS 16 Cb -0.12 -2.68 0.01 0.00 -1.68 0.00 0.00 37.83 33.37 2crq s LYS 16 CO -0.05 0.34 -0.12 -1.21 -0.76 0.00 0.00 175.35 173.55 2crq s GLU 17 N -2.81 1.68 -0.12 1.68 2.02 -1.26 -1.34 118.70 118.55 2crq s GLU 17 Ca 0.46 -0.39 0.01 0.00 0.02 0.00 0.00 54.97 55.07 2crq s GLU 17 Cb -0.11 -1.43 -0.01 0.00 0.10 0.00 0.00 34.13 32.68 2crq s GLU 17 CO 0.22 -0.01 -0.16 -1.17 0.02 0.00 0.00 175.26 174.16 2crq s LEU 18 N 0.80 2.55 -0.03 1.80 2.96 0.02 -4.93 118.68 121.85 2crq s LEU 18 Ca -0.12 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 2crq s LEU 18 Cb -0.15 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.00 2crq s LEU 18 CO 0.02 0.17 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.51 2crq s VAL 19 N 0.30 0.30 0.24 1.68 1.01 -1.26 -0.58 120.40 122.08 2crq s VAL 19 Ca -0.12 -0.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.63 2crq s VAL 19 Cb -0.16 -0.35 0.05 0.00 0.00 0.00 0.00 36.38 35.91 2crq s VAL 19 CO 0.06 0.16 0.84 0.72 0.00 0.00 0.00 175.10 176.88 2crq s PHE 20 N 0.80 -0.11 0.42 5.22 -0.12 -1.12 -5.00 117.98 118.08 2crq s PHE 20 Ca -0.09 -0.32 -0.06 0.00 -0.05 0.00 0.00 56.93 56.41 2crq s PHE 20 Cb -0.12 0.70 -0.05 0.00 -0.63 0.00 0.00 43.02 42.92 2crq s PHE 20 CO -0.01 -1.11 0.73 0.45 -0.05 0.00 0.00 175.22 175.23 2crq s SER 21 N -2.99 6.37 0.27 1.98 0.15 -1.26 -0.24 113.70 117.98 2crq s SER 21 Ca 0.13 0.92 0.25 0.00 0.70 0.00 0.00 55.95 57.95 2crq s SER 21 Cb -0.04 -2.24 0.89 0.00 -1.71 0.00 0.00 66.02 62.92 2crq s SER 21 CO 0.06 -0.45 1.75 0.77 1.20 0.00 0.00 173.24 176.57 2crq h SER 22 N 0.77 0.00 -0.42 5.45 4.64 -1.81 -3.21 113.55 118.97 2crq h SER 22 Ca -0.47 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.57 2crq h SER 22 Cb 1.20 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.17 2crq h SER 22 CO 0.63 0.00 0.36 0.59 -0.87 0.00 0.00 176.83 177.54 2crq n ASN 23 N -2.37 5.97 -4.77 4.97 4.13 -1.26 -4.91 115.26 117.02 2crq n ASN 23 Ca 0.04 -2.95 -0.39 0.00 1.68 0.00 0.00 54.58 52.96 2crq n ASN 23 Cb 0.35 -1.01 -0.06 0.00 -1.54 0.00 0.00 39.78 37.52 2crq n ASN 23 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2crq s ILE 24 N -1.95 4.96 0.77 2.41 2.07 -1.22 -5.07 121.20 123.18 2crq s ILE 24 Ca 0.27 1.15 -0.11 0.00 -1.41 0.00 0.00 60.65 60.55 2crq s ILE 24 Cb 0.21 -3.89 0.06 0.00 0.13 0.00 0.00 42.46 38.97 2crq s ILE 24 CO 0.00 0.43 1.10 -0.83 -1.91 0.00 0.00 174.94 173.73 2crq s GLY 25 N -0.20 1.62 0.36 1.50 0.00 -1.26 -4.79 107.32 104.54 2crq s GLY 25 Ca 0.29 -0.25 0.07 0.00 0.00 0.00 0.00 44.72 44.83 2crq s GLY 25 CO 0.16 0.17 1.89 -1.61 0.00 0.00 0.00 173.10 173.70 2crq h GLN 26 N -0.98 0.38 -0.65 2.90 5.75 -1.97 0.17 115.11 120.71 2crq h GLN 26 Ca -0.46 -0.09 -0.04 0.00 -0.15 0.00 0.00 58.65 57.91 2crq h GLN 26 Cb 1.27 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.73 2crq h GLN 26 CO 0.61 0.47 0.24 0.45 -2.65 0.00 0.00 178.83 177.95 2crq h HIS 27 N 0.36 0.98 0.02 3.99 3.86 -2.00 -1.39 115.15 120.97 2crq h HIS 27 Ca 0.07 -0.07 -0.11 0.00 -1.16 0.00 0.00 60.37 59.11 2crq h HIS 27 Cb 0.37 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 2crq h HIS 27 CO 0.01 0.77 -0.57 0.22 0.86 0.00 0.00 177.93 179.21 2crq h ASP 28 N 0.95 0.06 -0.70 2.45 3.58 -1.83 -3.33 116.42 117.60 2crq h ASP 28 Ca 0.22 -0.83 0.20 0.00 0.42 0.00 0.00 57.03 57.04 2crq h ASP 28 Cb 0.21 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 2crq h ASP 28 CO -0.02 1.23 0.50 0.25 -2.88 0.00 0.00 179.24 178.33 2crq h LEU 29 N -0.91 0.03 -0.81 2.28 5.85 -0.68 -0.44 115.31 120.64 2crq h LEU 29 Ca -0.15 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.70 2crq h LEU 29 Cb 1.20 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.14 2crq h LEU 29 CO -0.05 0.01 0.42 -0.78 -0.34 0.00 0.00 178.44 177.70 2crq h ASP 30 N 0.03 0.54 -0.39 1.25 3.58 -1.36 -0.75 116.42 119.33 2crq h ASP 30 Ca 0.33 0.07 -0.09 0.00 0.42 0.00 0.00 57.03 57.76 2crq h ASP 30 Cb 1.29 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.31 2crq h ASP 30 CO -0.01 0.27 -0.09 0.74 -2.88 0.00 0.00 179.24 177.26 2crq h THR 31 N 0.66 1.26 -0.48 2.25 2.02 -1.25 -3.01 112.91 114.36 2crq h THR 31 Ca 0.42 -1.16 0.06 0.00 0.77 0.00 0.00 66.41 66.50 2crq h THR 31 Cb 0.52 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 2crq h THR 31 CO -0.31 0.40 0.18 0.11 0.37 0.00 0.00 175.52 176.27 2crq h LYS 32 N 0.75 0.36 -0.21 6.66 1.79 -1.14 0.19 116.57 124.97 2crq h LYS 32 Ca 0.13 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.59 2crq h LYS 32 Cb 0.58 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 2crq h LYS 32 CO 0.04 0.24 0.10 0.77 -1.08 0.00 0.00 179.45 179.51 2crq h SER 33 N 0.37 0.14 -0.44 0.86 0.02 -1.33 -1.03 113.55 112.14 2crq h SER 33 Ca 0.22 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 2crq h SER 33 Cb 0.22 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2crq h SER 33 CO -0.22 0.11 0.20 0.11 -1.14 0.00 0.00 176.83 175.89 2crq h LYS 34 N 0.21 0.64 0.00 3.45 1.57 -1.31 0.11 116.57 121.24 2crq h LYS 34 Ca 0.08 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2crq h LYS 34 Cb 0.02 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 2crq h LYS 34 CO -0.06 0.56 -0.15 1.96 -0.57 0.00 0.00 179.45 181.19 2crq h GLN 35 N 0.56 -0.24 -0.13 3.15 1.08 -0.35 -1.80 115.11 117.39 2crq h GLN 35 Ca 0.15 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 2crq h GLN 35 Cb 0.14 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 2crq h GLN 35 CO -0.02 -0.16 0.03 0.82 -0.95 0.00 0.00 178.83 178.56 2crq h ILE 36 N -0.24 1.20 -0.86 2.54 2.04 -1.09 -2.90 117.51 118.19 2crq h ILE 36 Ca 0.05 -0.62 0.21 0.00 1.00 0.00 0.00 64.86 65.50 2crq h ILE 36 Cb 0.31 1.37 -0.13 0.00 -0.74 0.00 0.00 36.82 37.63 2crq h ILE 36 CO -0.14 0.18 0.31 -0.61 0.00 0.00 0.00 178.15 177.89 2crq h GLN 37 N 0.01 0.31 -0.78 2.37 4.15 -0.58 0.33 115.11 120.91 2crq h GLN 37 Ca 0.04 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.40 2crq h GLN 37 Cb 0.26 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 2crq h GLN 37 CO 0.00 0.20 0.30 1.96 -1.93 0.00 0.00 178.83 179.37 2crq h GLN 38 N 0.32 1.17 -0.16 1.69 1.08 -1.17 -2.63 115.11 115.40 2crq h GLN 38 Ca 0.53 -0.21 -0.02 0.00 -1.45 0.00 0.00 58.65 57.50 2crq h GLN 38 Cb 1.02 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.26 2crq h GLN 38 CO -0.56 0.95 0.01 -1.49 -0.95 0.00 0.00 178.83 176.79 2crq h TRP 39 N 1.13 0.30 -0.37 2.96 6.55 -0.26 -3.16 115.95 123.10 2crq h TRP 39 Ca 0.26 -0.05 0.08 0.00 0.95 0.00 0.00 58.89 60.13 2crq h TRP 39 Cb 0.22 -0.08 -0.07 0.00 -0.86 0.00 0.00 29.16 28.37 2crq h TRP 39 CO 0.02 0.47 -0.12 0.82 -1.05 0.00 0.00 178.44 178.59 2crq h ILE 40 N 0.04 0.58 -1.12 1.49 1.08 -0.84 -0.37 117.51 118.38 2crq h ILE 40 Ca 0.05 0.00 0.37 0.00 -0.39 0.00 0.00 64.86 64.89 2crq h ILE 40 Cb 0.34 0.58 -0.14 0.00 -3.07 0.00 0.00 36.82 34.53 2crq h ILE 40 CO 0.01 0.00 0.68 -0.33 -0.69 0.00 0.00 178.15 177.82 2crq h GLU 41 N -0.03 0.20 -1.08 2.37 4.39 -1.43 1.30 114.58 120.29 2crq h GLU 41 Ca 0.18 -0.01 -0.50 0.00 0.34 0.00 0.00 59.36 59.37 2crq h GLU 41 Cb 0.31 -0.04 -0.25 0.00 -0.10 0.00 0.00 28.75 28.66 2crq h GLU 41 CO -0.40 0.13 0.64 1.63 -1.16 0.00 0.00 179.01 179.85 2crq n LYS 42 N -4.90 2.23 -4.16 2.33 5.02 -0.21 -4.89 118.16 113.58 2crq n LYS 42 Ca 0.34 -2.64 -0.29 0.00 -2.02 0.00 0.00 58.31 53.69 2crq n LYS 42 Cb 1.18 -2.04 -0.08 0.00 -0.02 0.00 0.00 35.03 34.07 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 -0.72 -0.90 -3.65 1.97 4.76 0.44 -4.88 118.16 115.19 2crq n LYS 43 Ca 0.52 0.08 -0.39 0.00 -2.87 0.00 0.00 58.31 55.64 2crq n LYS 43 Cb 1.07 -3.21 -0.12 0.00 -1.84 0.00 0.00 35.03 30.94 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 -4.24 3.23 -0.03 2.13 2.02 -0.79 -4.93 117.35 114.75 2crq s TYR 44 Ca 0.03 -1.03 -0.33 0.00 -0.37 0.00 0.00 57.07 55.37 2crq s TYR 44 Cb -0.02 -2.38 -0.11 0.00 -0.40 0.00 0.00 41.96 39.05 2crq s TYR 44 CO 0.92 -0.64 1.90 0.72 -1.57 0.00 0.00 175.55 176.88 2crq n HIS 45 N 4.95 2.41 -3.79 2.71 8.25 -1.26 -4.23 115.22 124.26 2crq n HIS 45 Ca -0.12 -0.14 -0.37 0.00 -0.26 0.00 0.00 57.72 56.84 2crq n HIS 45 Cb 0.46 -2.71 -0.13 0.00 1.12 0.00 0.00 29.99 28.73 2crq n HIS 45 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2crq s VAL 46 N 4.05 3.85 -0.58 1.59 1.01 -1.25 -1.51 120.40 127.56 2crq s VAL 46 Ca 0.91 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 62.06 2crq s VAL 46 Cb -0.59 -2.95 0.12 0.00 0.00 0.00 0.00 36.38 32.96 2crq s VAL 46 CO 0.47 0.14 0.62 -1.58 0.00 0.00 0.00 175.10 174.76 2crq s GLN 47 N 1.49 3.05 0.13 2.72 0.74 -0.45 -2.69 119.66 124.66 2crq s GLN 47 Ca 0.03 -1.56 -0.18 0.00 0.05 0.00 0.00 55.36 53.71 2crq s GLN 47 Cb -0.17 -4.30 -0.07 0.00 1.10 0.00 0.00 33.01 29.57 2crq s GLN 47 CO 0.01 -1.44 0.60 0.08 -0.55 0.00 0.00 175.29 173.99 2crq s VAL 48 N 2.08 4.74 -0.22 1.34 1.01 -0.61 -0.80 120.40 127.93 2crq s VAL 48 Ca 0.08 1.10 -0.04 0.00 0.00 0.00 0.00 61.98 63.12 2crq s VAL 48 Cb -0.26 -3.84 0.08 0.00 0.00 0.00 0.00 36.38 32.37 2crq s VAL 48 CO 0.04 0.37 0.13 -0.89 0.00 0.00 0.00 175.10 174.75 2crq s THR 49 N -1.32 -0.13 -0.15 3.92 2.01 0.25 -2.06 115.64 118.16 2crq s THR 49 Ca 0.35 -0.38 -0.27 0.00 0.31 0.00 0.00 61.69 61.70 2crq s THR 49 Cb -0.17 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.57 2crq s THR 49 CO 0.20 -0.44 0.88 -0.63 -0.69 0.00 0.00 174.62 173.94 2crq s ILE 50 N 2.16 4.85 -0.28 1.82 1.01 -0.04 -2.78 121.20 127.93 2crq s ILE 50 Ca 0.06 1.75 -0.09 0.00 0.00 0.00 0.00 60.65 62.37 2crq s ILE 50 Cb -0.16 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 2crq s ILE 50 CO -0.21 0.01 0.14 -0.54 0.00 0.00 0.00 174.94 174.35 2crq s LYS 51 N 2.15 3.67 0.77 2.79 1.02 0.67 -2.46 119.74 128.35 2crq s LYS 51 Ca 0.41 -0.49 -0.09 0.00 0.02 0.00 0.00 55.97 55.82 2crq s LYS 51 Cb -0.17 -3.53 0.10 0.00 -0.52 0.00 0.00 37.83 33.71 2crq s LYS 51 CO 0.13 -0.26 1.10 1.03 -0.92 0.00 0.00 175.35 176.44 2crq s ARG 52 N 1.67 1.82 -0.10 1.68 0.52 -1.25 -2.34 118.95 120.95 2crq s ARG 52 Ca 0.06 -0.31 0.01 0.00 -0.52 0.00 0.00 55.73 54.97 2crq s ARG 52 Cb -0.16 -2.09 0.02 0.00 0.52 0.00 0.00 34.95 33.24 2crq s ARG 52 CO 0.07 -1.54 -0.12 -0.98 0.02 0.00 0.00 175.30 172.76 2crq s ARG 53 N -5.41 1.87 0.43 3.54 1.70 -1.26 -4.96 118.95 114.87 2crq s ARG 53 Ca 0.64 -0.43 0.11 0.00 -0.47 0.00 0.00 55.73 55.58 2crq s ARG 53 Cb -0.09 -1.68 0.98 0.00 -0.57 0.00 0.00 34.95 33.59 2crq s ARG 53 CO 0.47 -0.11 2.04 -0.22 -1.08 0.00 0.00 175.30 176.40 2crq h LYS 54 N 7.56 0.42 -0.87 3.89 3.64 -2.00 -1.39 116.57 127.82 2crq h LYS 54 Ca -0.31 -0.03 0.22 0.00 -1.27 0.00 0.00 60.65 59.26 2crq h LYS 54 Cb 1.16 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.83 2crq h LYS 54 CO 0.46 0.28 0.60 -0.44 -2.27 0.00 0.00 179.45 178.08 2crq h ASP 55 N 0.43 0.24 -3.62 4.20 3.32 -2.04 -3.41 116.42 115.53 2crq h ASP 55 Ca 0.18 0.03 -0.46 0.00 0.02 0.00 0.00 57.03 56.80 2crq h ASP 55 Cb 0.16 -0.02 0.09 0.00 0.22 0.00 0.00 39.33 39.79 2crq h ASP 55 CO -0.04 0.09 0.24 0.00 -1.72 0.00 0.00 179.24 177.81 2crq s ALA 56 N -5.24 3.10 -0.14 3.45 0.00 -0.53 -5.03 121.76 117.38 2crq s ALA 56 Ca -0.07 -1.05 0.16 0.00 0.00 0.00 0.00 51.96 51.00 2crq s ALA 56 Cb 0.22 -2.56 0.41 0.00 0.00 0.00 0.00 23.12 21.19 2crq s ALA 56 CO 0.78 -1.46 1.20 -0.85 0.00 0.00 0.00 175.76 175.43 2crq n GLU 57 N -3.02 1.08 -2.14 0.00 -0.00 -1.26 -4.97 120.64 110.33 2crq n GLU 57 Ca 0.10 -2.86 -0.28 0.00 -0.00 0.00 0.00 57.16 54.12 2crq n GLU 57 Cb 0.60 -1.12 0.05 0.00 -0.00 0.00 0.00 31.44 30.98 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 -2.21 2.70 0.46 3.44 1.11 -1.26 -5.10 119.66 118.80 2crq s GLN 58 Ca 0.36 0.13 0.05 0.00 0.01 0.00 0.00 55.36 55.91 2crq s GLN 58 Cb 0.37 -2.14 0.05 0.00 -1.01 0.00 0.00 33.01 30.28 2crq s GLN 58 CO -0.10 -0.98 0.38 0.45 0.01 0.00 0.00 175.29 175.05 2crq n SER 59 N -2.85 2.38 0.09 5.90 2.88 -1.26 -5.05 113.62 115.70 2crq n SER 59 Ca 0.06 -2.54 -0.14 0.00 -1.33 0.00 0.00 58.87 54.92 2crq n SER 59 Cb 0.58 -0.07 -0.14 0.00 -0.75 0.00 0.00 64.21 63.83 2crq n SER 59 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2crq h GLU 60 N 0.00 0.21 -0.95 -1.46 4.11 -1.96 -3.30 114.58 111.23 2crq h GLU 60 Ca -0.28 -0.37 0.30 0.00 0.07 0.00 0.00 59.36 59.08 2crq h GLU 60 Cb 1.06 0.14 -0.16 0.00 0.50 0.00 0.00 28.75 30.28 2crq h GLU 60 CO 0.44 1.15 0.27 0.93 0.07 0.00 0.00 179.01 181.87 2crq h GLU 61 N 0.06 0.11 -0.03 1.06 5.08 -2.01 0.72 114.58 119.56 2crq h GLU 61 Ca -0.13 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.00 2crq h GLU 61 Cb 1.95 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.18 2crq h GLU 61 CO 0.18 0.07 -0.89 1.05 -1.00 0.00 0.00 179.01 178.42 2crq h GLU 62 N 0.11 0.48 -0.62 2.33 4.11 -2.00 -3.26 114.58 115.73 2crq h GLU 62 Ca 0.65 -0.47 0.05 0.00 0.07 0.00 0.00 59.36 59.65 2crq h GLU 62 Cb 1.47 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.79 2crq h GLU 62 CO -0.76 1.12 0.35 1.15 0.07 0.00 0.00 179.01 180.94 2crq h THR 63 N 0.29 1.00 -0.59 -1.06 2.02 0.29 -2.36 112.91 112.50 2crq h THR 63 Ca -0.07 -0.23 0.10 0.00 0.77 0.00 0.00 66.41 66.98 2crq h THR 63 Cb 1.51 0.27 -0.08 0.00 -1.74 0.00 0.00 68.15 68.11 2crq h THR 63 CO 0.16 0.12 0.16 -0.33 0.37 0.00 0.00 175.52 176.00 2crq h GLU 64 N 0.67 0.30 -0.79 6.66 3.07 -1.13 -1.99 114.58 121.36 2crq h GLU 64 Ca 0.27 -0.02 0.15 0.00 -0.50 0.00 0.00 59.36 59.26 2crq h GLU 64 Cb 0.12 -0.07 -0.15 0.00 -0.84 0.00 0.00 28.75 27.82 2crq h GLU 64 CO -0.15 0.20 -0.26 0.93 -1.40 0.00 0.00 179.01 178.33 2crq h GLU 65 N 0.31 -0.04 -0.66 2.33 5.08 -1.51 -1.47 114.58 118.63 2crq h GLU 65 Ca 0.31 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.73 2crq h GLU 65 Cb 0.42 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.60 2crq h GLU 65 CO -0.36 -0.02 -0.39 -0.89 -1.00 0.00 0.00 179.01 176.35 2crq n ILE 66 N -5.50 -0.45 -0.32 3.13 2.08 -0.75 0.14 119.36 117.69 2crq n ILE 66 Ca 0.10 1.71 0.15 0.00 0.56 0.00 0.00 62.75 65.26 2crq n ILE 66 Cb 0.40 -2.12 0.30 0.00 -0.75 0.00 0.00 39.64 37.47 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 0.08 0.19 1.39 0.04 -1.39 0.83 116.94 118.08 2crq h PHE 67 Ca 0.11 0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.93 2crq h PHE 67 Cb 0.27 0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.54 2crq h PHE 67 CO -0.75 -0.38 -0.09 -0.91 -0.60 0.00 0.00 178.31 175.58 2crq h ASN 68 N 0.05 -0.22 -1.41 2.17 2.35 0.11 -2.38 115.58 116.27 2crq h ASN 68 Ca 0.59 -0.25 0.41 0.00 -0.55 0.00 0.00 56.30 56.50 2crq h ASN 68 Cb 1.23 0.06 -0.06 0.00 0.05 0.00 0.00 38.32 39.60 2crq h ASN 68 CO -0.84 0.15 1.14 1.56 -1.65 0.00 0.00 177.43 177.79 2crq h GLN 69 N -0.62 0.00 0.11 0.81 4.20 0.88 1.20 115.11 121.69 2crq h GLN 69 Ca -0.03 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.36 2crq h GLN 69 Cb 0.45 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2crq h GLN 69 CO 0.04 0.00 -1.70 0.82 -0.67 0.00 0.00 178.83 177.33 2crq h ILE 70 N 0.00 0.95 0.00 2.54 2.04 -1.18 -3.33 117.51 118.53 2crq h ILE 70 Ca 0.67 -2.64 0.00 0.00 1.00 0.00 0.00 64.86 63.89 2crq h ILE 70 Cb 2.94 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 41.66 2crq h ILE 70 CO -0.01 0.79 0.00 0.25 0.00 0.00 0.00 178.15 179.18 2crq h LEU 71 N 0.06 0.00 -0.28 1.44 5.85 0.17 -2.99 115.31 119.56 2crq h LEU 71 Ca -0.30 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2crq h LEU 71 Cb 2.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.06 2crq h LEU 71 CO 0.13 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.23 2crq n GLN 72 N -2.86 0.05 -0.04 1.25 1.13 0.13 -0.59 117.38 116.45 2crq n GLN 72 Ca 0.03 0.40 0.03 0.00 -1.94 0.00 0.00 57.00 55.52 2crq n GLN 72 Cb 0.40 -1.62 -0.15 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 -1.71 0.44 -2.48 5.09 -2.24 -1.13 -4.54 114.28 107.71 2crq n THR 73 Ca 0.02 -0.57 -0.14 0.00 -2.27 0.00 0.00 64.05 61.08 2crq n THR 73 Cb 0.12 -0.15 0.03 0.00 -2.10 0.00 0.00 70.33 68.23 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 -2.37 2.54 0.24 -0.78 0.00 -0.72 -4.84 117.12 111.19 2crq n MET 74 Ca -0.13 -3.86 0.16 0.00 0.00 0.00 0.00 57.70 53.87 2crq n MET 74 Cb 0.72 -1.87 0.65 0.00 0.00 0.00 0.00 33.22 32.72 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 2.54 0.00 -0.10 3.17 0.13 -1.06 0.84 132.00 137.53 2crq h PRO 75 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2crq h PRO 75 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2crq h PRO 75 CO 0.55 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.92 2crq n ASP 76 N -2.84 2.13 0.00 1.44 5.75 -1.26 -4.53 116.55 117.24 2crq n ASP 76 Ca 0.01 -1.58 0.00 0.00 -0.01 0.00 0.00 54.79 53.21 2crq n ASP 76 Cb 0.27 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 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 0.54 0.00 -4.15 2.12 3.06 -1.00 -4.58 119.36 115.35 2crq n ILE 77 Ca 0.07 -0.06 -0.12 0.00 -2.50 0.00 0.00 62.75 60.14 2crq n ILE 77 Cb 0.30 0.45 -0.11 0.00 0.54 0.00 0.00 39.64 40.83 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 -1.27 0.96 -0.05 1.51 0.00 0.29 -3.91 121.76 119.30 2crq s ALA 78 Ca 0.00 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.66 2crq s ALA 78 Cb 0.00 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.23 2crq s ALA 78 CO 0.00 -0.13 0.26 -0.08 0.00 0.00 0.00 175.76 175.81 2crq s THR 79 N -2.81 0.04 -0.11 0.00 -1.32 0.38 -4.43 115.64 107.39 2crq s THR 79 Ca 0.06 -0.33 -0.32 0.00 -1.21 0.00 0.00 61.69 59.89 2crq s THR 79 Cb -0.00 -0.48 -0.09 0.00 -1.51 0.00 0.00 72.50 70.41 2crq s THR 79 CO -0.02 -0.18 2.02 0.49 -2.21 0.00 0.00 174.62 174.72 2crq n PHE 80 N 1.97 2.23 -0.09 9.09 3.01 -1.26 -2.02 117.46 130.39 2crq n PHE 80 Ca -0.18 -0.12 -0.14 0.00 1.01 0.00 0.00 57.45 58.01 2crq n PHE 80 Cb 0.57 -2.71 -0.07 0.00 -0.01 0.00 0.00 39.48 37.26 2crq n PHE 80 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2crq n SER 81 N 8.38 1.84 -3.93 4.37 7.64 -0.55 -4.83 113.62 126.54 2crq n SER 81 Ca 0.25 0.52 -0.31 0.00 1.01 0.00 0.00 58.87 60.34 2crq n SER 81 Cb 0.36 -0.92 -0.15 0.00 -1.01 0.00 0.00 64.21 62.48 2crq n SER 81 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2crq s SER 82 N -6.37 4.50 0.09 6.43 0.15 -1.21 -4.97 113.70 112.32 2crq s SER 82 Ca -0.23 -1.95 -0.23 0.00 0.70 0.00 0.00 55.95 54.24 2crq s SER 82 Cb 0.04 -1.37 -0.13 0.00 -1.71 0.00 0.00 66.02 62.85 2crq s SER 82 CO 0.43 -0.38 0.52 0.54 1.20 0.00 0.00 173.24 175.54 2crq n ARG 83 N 4.45 0.00 -2.12 5.44 5.12 -1.26 -3.65 116.66 124.64 2crq n ARG 83 Ca 0.01 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.50 2crq n ARG 83 Cb 0.42 -0.85 -0.03 0.00 -1.16 0.00 0.00 32.46 30.85 2crq n ARG 83 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2crq s PRO 84 N -0.45 3.87 0.41 5.56 0.04 -1.26 -4.81 135.00 138.35 2crq s PRO 84 Ca 0.53 1.73 0.08 0.00 0.04 0.00 0.00 61.00 63.37 2crq s PRO 84 Cb -0.76 -4.01 -0.03 0.00 0.04 0.00 0.00 34.50 29.74 2crq s PRO 84 CO 0.40 -1.20 0.28 -1.59 0.04 0.00 0.00 177.00 174.94 2crq s LYS 85 N 4.51 2.42 -0.18 4.56 0.00 -1.17 -4.91 119.74 124.97 2crq s LYS 85 Ca 0.70 -1.64 -0.29 0.00 0.00 0.00 0.00 55.97 54.75 2crq s LYS 85 Cb -0.26 -2.22 0.00 0.00 0.00 0.00 0.00 37.83 35.35 2crq s LYS 85 CO 0.28 -0.13 1.02 0.00 0.00 0.00 0.00 175.35 176.52 2crq s ALA 86 N -2.51 3.57 0.43 0.59 0.00 -1.26 -3.13 121.76 119.45 2crq s ALA 86 Ca 0.44 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.68 2crq s ALA 86 Cb -0.01 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 2crq s ALA 86 CO 0.25 -0.86 0.05 0.96 0.00 0.00 0.00 175.76 176.17 2crq s ILE 87 N 2.69 1.09 -1.38 0.00 -4.36 0.60 -4.47 121.20 115.38 2crq s ILE 87 Ca 0.45 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.78 2crq s ILE 87 Cb -0.16 -2.44 0.03 0.00 1.25 0.00 0.00 42.46 41.14 2crq s ILE 87 CO 0.11 0.00 0.45 0.54 0.24 0.00 0.00 174.94 176.28 2crq n ARG 88 N -1.01 -3.76 -0.05 0.37 5.12 -1.26 -0.06 116.66 116.00 2crq n ARG 88 Ca -0.10 0.68 0.00 0.00 -1.93 0.00 0.00 57.85 56.50 2crq n ARG 88 Cb 0.66 -5.44 0.00 0.00 -1.16 0.00 0.00 32.46 26.53 2crq n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2crq n GLY 89 N -1.26 0.60 0.00 -0.13 0.00 -1.26 -3.99 105.19 99.15 2crq n GLY 89 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.00 0.76 0.17 -0.02 0.00 0.91 -4.96 105.19 100.05 2crq n GLY 90 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.01 -1.88 2.61 1.35 -1.64 -3.43 112.91 109.93 2crq h THR 91 Ca 0.00 -1.01 -0.60 0.00 -0.55 0.00 0.00 66.41 64.25 2crq h THR 91 Cb 0.00 1.75 -0.12 0.00 -1.73 0.00 0.00 68.15 68.05 2crq h THR 91 CO 0.00 0.00 -0.62 0.00 -0.25 0.00 0.00 175.52 174.65 2crq s ALA 92 N -3.29 3.16 -0.01 6.62 0.00 -0.78 -3.79 121.76 123.67 2crq s ALA 92 Ca 0.03 -2.04 0.02 0.00 0.00 0.00 0.00 51.96 49.97 2crq s ALA 92 Cb 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2crq s ALA 92 CO 0.73 0.04 -0.05 -1.12 0.00 0.00 0.00 175.76 175.36 2crq s SER 93 N -3.70 0.67 0.00 0.00 0.01 -1.03 -0.29 113.70 109.37 2crq s SER 93 Ca 0.35 -0.10 0.05 0.00 1.31 0.00 0.00 55.95 57.56 2crq s SER 93 Cb 0.02 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 66.09 2crq s SER 93 CO 0.19 0.03 -0.17 -0.32 0.41 0.00 0.00 173.24 173.38 2crq s MET 94 N 0.13 1.28 0.12 12.44 0.00 -1.18 -0.87 119.30 131.23 2crq s MET 94 Ca -0.01 -0.67 -0.20 0.00 0.00 0.00 0.00 55.69 54.81 2crq s MET 94 Cb -0.05 -1.27 0.05 0.00 0.00 0.00 0.00 34.83 33.56 2crq s MET 94 CO -0.00 0.34 0.50 0.00 0.00 0.00 0.00 175.02 175.86 2crq s VAL 96 N -3.49 2.38 -0.20 0.00 1.01 -1.24 -1.57 120.40 117.30 2crq s VAL 96 Ca 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 61.98 60.78 2crq s VAL 96 Cb 0.00 -1.92 -0.00 0.00 0.00 0.00 0.00 36.38 34.46 2crq s VAL 96 CO -0.10 0.45 -0.09 -0.36 0.00 0.00 0.00 175.10 174.99 2crq s PHE 97 N -0.77 2.89 0.48 5.22 0.40 -1.09 -1.48 117.98 123.63 2crq s PHE 97 Ca 0.12 -1.07 0.05 0.00 -0.60 0.00 0.00 56.93 55.43 2crq s PHE 97 Cb -0.10 -2.02 -0.02 0.00 0.51 0.00 0.00 43.02 41.39 2crq s PHE 97 CO 0.02 -0.56 0.18 -0.98 0.70 0.00 0.00 175.22 174.57 2crq s ARG 98 N 1.27 2.21 -0.10 0.44 1.70 -0.86 -3.77 118.95 119.84 2crq s ARG 98 Ca 0.03 -2.09 -0.13 0.00 -0.47 0.00 0.00 55.73 53.07 2crq s ARG 98 Cb -0.14 -1.85 -0.05 0.00 -0.57 0.00 0.00 34.95 32.34 2crq s ARG 98 CO -0.04 -0.33 0.31 -1.58 -1.08 0.00 0.00 175.30 172.57 2crq s HIS 99 N -2.74 3.57 -0.00 5.89 5.65 -1.26 -0.47 115.29 125.93 2crq s HIS 99 Ca 0.28 0.72 -0.40 0.00 0.25 0.00 0.00 55.06 55.91 2crq s HIS 99 Cb 0.02 -2.26 -0.20 0.00 -1.18 0.00 0.00 32.58 28.96 2crq s HIS 99 CO 0.16 0.45 1.11 1.28 -0.65 0.00 0.00 174.74 177.08 2crq n LEU 100 N 2.76 0.20 -4.56 8.88 4.77 -1.25 -4.73 117.00 123.08 2crq n LEU 100 Ca -0.14 1.16 -0.27 0.00 -0.03 0.00 0.00 56.01 56.73 2crq n LEU 100 Cb 0.53 -0.95 -0.05 0.00 -2.33 0.00 0.00 43.42 40.62 2crq n LEU 100 CO 0.38 -1.79 1.40 -0.55 -1.33 0.00 0.00 177.39 175.50 2crq s SER 101 N 0.12 4.95 -1.37 -1.43 0.15 -1.26 -3.94 113.70 110.92 2crq s SER 101 Ca 0.91 -0.31 -0.13 0.00 0.70 0.00 0.00 55.95 57.11 2crq s SER 101 Cb -1.24 -2.55 0.13 0.00 -1.71 0.00 0.00 66.02 60.65 2crq s SER 101 CO 0.56 -2.85 0.33 0.29 1.20 0.00 0.00 173.24 172.78 2crq n LYS 102 N 8.92 -0.83 -4.08 5.44 5.02 -1.26 -4.87 118.16 126.50 2crq n LYS 102 Ca 0.37 0.10 -0.08 0.00 -2.02 0.00 0.00 58.31 56.68 2crq n LYS 102 Cb 0.48 -3.37 -0.10 0.00 -0.02 0.00 0.00 35.03 32.02 2crq n LYS 102 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2crq s LYS 103 N -5.93 0.58 -1.50 1.97 2.20 -1.25 -4.87 119.74 110.93 2crq s LYS 103 Ca 0.47 -1.11 -0.08 0.00 -0.36 0.00 0.00 55.97 54.88 2crq s LYS 103 Cb -0.27 0.14 0.08 0.00 -1.51 0.00 0.00 37.83 36.26 2crq s LYS 103 CO 0.78 -0.09 0.20 0.39 -0.36 0.00 0.00 175.35 176.27 2crq n GLU 104 N 0.39 -0.87 -3.98 4.03 1.02 -1.26 -4.77 120.64 115.20 2crq n GLU 104 Ca -0.16 0.10 -0.10 0.00 -0.02 0.00 0.00 57.16 56.98 2crq n GLU 104 Cb 0.60 -3.59 -0.11 0.00 -0.02 0.00 0.00 31.44 28.31 2crq n GLU 104 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2crq s GLU 105 N -6.82 0.30 -0.12 3.49 2.56 -1.26 -4.69 118.70 112.16 2crq s GLU 105 Ca 0.28 -0.55 0.03 0.00 0.00 0.00 0.00 54.97 54.73 2crq s GLU 105 Cb -0.16 0.04 0.00 0.00 2.00 0.00 0.00 34.13 36.02 2crq s GLU 105 CO 0.91 -0.03 -0.23 0.21 -0.56 0.00 0.00 175.26 175.56 2crq s LYS 106 N -1.28 3.04 -1.17 4.30 2.20 -1.26 -5.04 119.74 120.53 2crq s LYS 106 Ca -0.13 -0.86 -0.22 0.00 -0.36 0.00 0.00 55.97 54.39 2crq s LYS 106 Cb -0.09 -2.37 -0.08 0.00 -1.51 0.00 0.00 37.83 33.78 2crq s LYS 106 CO -0.01 0.09 1.92 0.43 -0.36 0.00 0.00 175.35 177.42 2crq n SER 107 N 3.79 3.16 0.00 1.43 7.64 -1.26 -4.84 113.62 123.54 2crq n SER 107 Ca -0.19 -2.71 0.00 0.00 1.01 0.00 0.00 58.87 56.97 2crq n SER 107 Cb 0.52 -1.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.02 2crq n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crq n GLY 108 N 5.67 6.69 3.73 0.23 0.00 -1.26 -5.10 105.19 115.15 2crq n GLY 108 Ca 0.45 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 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 1.42 4.38 -0.95 1.61 0.04 -1.26 -4.96 135.00 135.28 2crq s PRO 109 Ca 0.00 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 62.86 2crq s PRO 109 Cb 0.00 -3.21 0.08 0.00 0.04 0.00 0.00 34.50 31.40 2crq s PRO 109 CO 0.00 -0.29 1.30 0.45 0.04 0.00 0.00 177.00 178.50 2crq s SER 110 N 0.53 6.50 -0.27 6.66 0.15 -1.26 -4.97 113.70 121.06 2crq s SER 110 Ca 0.58 -1.56 -0.43 0.00 0.70 0.00 0.00 55.95 55.24 2crq s SER 110 Cb -0.36 -2.50 -0.19 0.00 -1.71 0.00 0.00 66.02 61.26 2crq s SER 110 CO 0.36 -1.37 1.45 -0.24 1.20 0.00 0.00 173.24 174.64 2crq n SER 111 N 8.06 1.12 0.00 5.45 2.88 -1.26 -5.17 113.62 124.70 2crq n SER 111 Ca 0.26 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.95 2crq n SER 111 Cb 0.50 -0.97 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 2crq n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42