#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 -1.58 -4.08 1.61 7.64 -1.26 -4.99 113.62 110.96 2crq n SER 2 Ca 0.00 -0.80 -0.26 0.00 1.01 0.00 0.00 58.87 58.82 2crq n SER 2 Cb 0.00 -4.20 -0.17 0.00 -1.01 0.00 0.00 64.21 58.83 2crq n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2crq s SER 3 N -4.30 2.12 -0.51 6.43 1.04 -1.26 -5.09 113.70 112.13 2crq s SER 3 Ca 0.03 -0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.13 2crq s SER 3 Cb -0.01 -0.95 0.14 0.00 0.10 0.00 0.00 66.02 65.30 2crq s SER 3 CO 0.80 0.07 0.28 -0.83 0.98 0.00 0.00 173.24 174.54 2crq s GLY 4 N 0.54 2.18 -0.18 7.32 0.00 -1.26 -5.08 107.32 110.84 2crq s GLY 4 Ca -0.15 -3.06 -0.35 0.00 0.00 0.00 0.00 44.72 41.16 2crq s GLY 4 CO 0.05 1.25 1.92 1.44 0.00 0.00 0.00 173.10 177.76 2crq n SER 5 N 3.13 3.03 -4.04 1.64 7.64 -1.26 -4.94 113.62 118.83 2crq n SER 5 Ca 0.09 0.86 -0.15 0.00 1.01 0.00 0.00 58.87 60.68 2crq n SER 5 Cb 0.34 -1.32 -0.10 0.00 -1.01 0.00 0.00 64.21 62.12 2crq n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2crq s SER 6 N 4.73 0.86 -0.46 6.43 0.15 -1.26 -5.11 113.70 119.04 2crq s SER 6 Ca 0.97 -1.49 0.06 0.00 0.70 0.00 0.00 55.95 56.20 2crq s SER 6 Cb -0.77 0.38 0.31 0.00 -1.71 0.00 0.00 66.02 64.22 2crq s SER 6 CO 0.53 -0.87 1.09 0.61 1.20 0.00 0.00 173.24 175.80 2crq n GLY 7 N -0.43 0.49 3.67 9.45 0.00 -1.26 -5.13 105.19 111.99 2crq n GLY 7 Ca 0.02 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 0.34 4.22 0.44 1.61 0.04 -1.26 -5.02 135.00 135.37 2crq s PRO 8 Ca 0.24 2.01 0.06 0.00 0.04 0.00 0.00 61.00 63.35 2crq s PRO 8 Cb 0.28 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 2crq s PRO 8 CO -0.08 -0.74 0.14 0.15 0.04 0.00 0.00 177.00 176.51 2crq s LYS 9 N 3.42 2.17 -0.03 4.56 1.02 -1.26 -5.15 119.74 124.47 2crq s LYS 9 Ca 0.66 -2.02 -0.01 0.00 0.02 0.00 0.00 55.97 54.63 2crq s LYS 9 Cb -0.30 -1.84 0.03 0.00 -0.52 0.00 0.00 37.83 35.19 2crq s LYS 9 CO 0.25 -0.20 0.04 -0.08 -0.92 0.00 0.00 175.35 174.44 2crq s THR 10 N -2.69 -0.04 0.44 2.17 -1.32 -1.26 -5.15 115.64 107.79 2crq s THR 10 Ca 0.33 0.30 -0.21 0.00 -1.21 0.00 0.00 61.69 60.90 2crq s THR 10 Cb 0.04 -0.15 -0.10 0.00 -1.51 0.00 0.00 72.50 70.78 2crq s THR 10 CO 0.18 0.14 0.97 -0.83 -2.21 0.00 0.00 174.62 172.88 2crq s GLY 11 N 1.62 2.43 0.09 6.08 0.00 -1.26 -4.94 107.32 111.34 2crq s GLY 11 Ca -0.02 0.46 0.17 0.00 0.00 0.00 0.00 44.72 45.34 2crq s GLY 11 CO -0.03 0.75 1.54 -1.55 0.00 0.00 0.00 173.10 173.82 2crq n PRO 12 N -0.71 0.07 -3.67 2.90 -0.04 -1.26 -4.51 135.00 127.78 2crq n PRO 12 Ca 0.08 0.32 -0.23 0.00 -0.04 0.00 0.00 63.50 63.62 2crq n PRO 12 Cb 0.54 -1.63 -0.17 0.00 -0.04 0.00 0.00 33.50 32.19 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 -3.11 0.04 -0.30 0.52 2.01 -1.26 -5.10 115.64 108.43 2crq s THR 13 Ca 0.06 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.11 2crq s THR 13 Cb 0.09 -0.46 0.19 0.00 0.01 0.00 0.00 72.50 72.34 2crq s THR 13 CO 0.30 -0.02 0.61 -0.32 -0.69 0.00 0.00 174.62 174.50 2crq s MET 14 N 2.10 0.56 -0.02 4.92 0.00 -1.26 -5.15 119.30 120.44 2crq s MET 14 Ca 0.03 0.96 0.01 0.00 0.00 0.00 0.00 55.69 56.69 2crq s MET 14 Cb -0.14 0.53 0.01 0.00 0.00 0.00 0.00 34.83 35.23 2crq s MET 14 CO -0.06 -0.64 -0.04 0.99 0.00 0.00 0.00 175.02 175.27 2crq s THR 15 N 2.86 0.42 0.12 10.11 2.01 -1.26 -4.66 115.64 125.24 2crq s THR 15 Ca 0.20 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 2crq s THR 15 Cb -0.15 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 2crq s THR 15 CO -0.21 0.17 0.31 -0.54 -0.69 0.00 0.00 174.62 173.65 2crq s LYS 16 N 0.49 3.53 -0.09 4.92 -0.14 -1.03 -5.03 119.74 122.38 2crq s LYS 16 Ca -0.06 -0.27 -0.04 0.00 -1.36 0.00 0.00 55.97 54.25 2crq s LYS 16 Cb -0.09 -2.93 0.05 0.00 -1.68 0.00 0.00 37.83 33.18 2crq s LYS 16 CO -0.00 0.52 0.19 -1.21 -0.76 0.00 0.00 175.35 174.08 2crq s GLU 17 N -2.67 0.08 -0.13 1.68 2.02 -1.26 -1.45 118.70 116.96 2crq s GLU 17 Ca 0.38 0.58 -0.01 0.00 0.02 0.00 0.00 54.97 55.95 2crq s GLU 17 Cb -0.12 -0.19 -0.02 0.00 0.10 0.00 0.00 34.13 33.89 2crq s GLU 17 CO 0.26 -0.27 -0.11 -1.17 0.02 0.00 0.00 175.26 173.99 2crq s LEU 18 N 2.12 2.86 -0.13 1.80 2.96 0.17 -4.90 118.68 123.56 2crq s LEU 18 Ca 0.00 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 2crq s LEU 18 Cb -0.12 -1.65 0.03 0.00 0.50 0.00 0.00 46.19 44.95 2crq s LEU 18 CO -0.07 0.19 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.42 2crq s VAL 19 N 0.21 0.86 0.20 1.68 1.01 -1.26 -1.86 120.40 121.24 2crq s VAL 19 Ca -0.07 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2crq s VAL 19 Cb -0.15 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.23 2crq s VAL 19 CO 0.04 0.23 0.23 2.22 0.00 0.00 0.00 175.10 177.82 2crq n PHE 20 N 4.98 -0.79 -3.66 5.22 -1.74 -1.19 -5.01 117.46 115.28 2crq n PHE 20 Ca -0.11 -1.48 -0.20 0.00 -0.56 0.00 0.00 57.45 55.11 2crq n PHE 20 Cb 0.49 0.26 -0.02 0.00 1.52 0.00 0.00 39.48 41.73 2crq n PHE 20 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 2crq s SER 21 N -2.30 5.73 0.00 5.98 1.04 -1.26 -1.71 113.70 121.18 2crq s SER 21 Ca 0.20 -0.28 0.30 0.00 0.48 0.00 0.00 55.95 56.65 2crq s SER 21 Cb 0.00 -1.19 1.57 0.00 0.10 0.00 0.00 66.02 66.50 2crq s SER 21 CO 0.14 -0.36 2.06 -0.24 0.98 0.00 0.00 173.24 175.82 2crq n SER 22 N -1.51 0.21 -1.13 7.02 2.88 -1.26 -3.02 113.62 116.82 2crq n SER 22 Ca -0.02 -0.66 0.10 0.00 -1.33 0.00 0.00 58.87 56.96 2crq n SER 22 Cb 0.59 -0.11 0.26 0.00 -0.75 0.00 0.00 64.21 64.20 2crq n SER 22 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2crq n ASN 23 N -1.00 3.59 -0.25 -3.46 2.85 -1.26 -4.57 115.26 111.15 2crq n ASN 23 Ca 0.18 -1.99 0.06 0.00 -0.11 0.00 0.00 54.58 52.73 2crq n ASN 23 Cb 0.21 -0.38 0.18 0.00 1.24 0.00 0.00 39.78 41.02 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 3.70 0.40 0.00 -1.44 2.10 -1.95 -3.48 117.51 116.83 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 0.91 0.22 0.00 0.00 -1.09 0.00 0.00 36.82 36.87 2crq h ILE 24 CO 0.00 0.03 0.00 0.61 -1.08 0.00 0.00 178.15 177.71 2crq n GLY 25 N -1.39 1.32 0.08 8.18 0.00 -1.26 -4.37 105.19 107.76 2crq n GLY 25 Ca 0.14 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.06 -0.79 1.61 5.75 -1.97 -0.46 115.11 119.18 2crq h GLN 26 Ca 0.00 0.00 0.11 0.00 -0.15 0.00 0.00 58.65 58.62 2crq h GLN 26 Cb 0.00 0.01 -0.08 0.00 1.07 0.00 0.00 27.48 28.48 2crq h GLN 26 CO 0.00 0.54 0.42 0.45 -2.65 0.00 0.00 178.83 177.58 2crq h HIS 27 N -0.91 0.74 0.29 3.99 3.86 -2.01 -0.83 115.15 120.29 2crq h HIS 27 Ca -0.01 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2crq h HIS 27 Cb 0.63 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2crq h HIS 27 CO 0.15 0.24 -0.14 -0.44 0.86 0.00 0.00 177.93 178.61 2crq h ASP 28 N 0.66 -0.33 -1.48 2.45 3.32 -1.76 -3.26 116.42 116.02 2crq h ASP 28 Ca 0.40 0.01 0.46 0.00 0.02 0.00 0.00 57.03 57.92 2crq h ASP 28 Cb 0.47 0.09 -0.10 0.00 0.22 0.00 0.00 39.33 40.00 2crq h ASP 28 CO -0.30 0.11 1.01 0.25 -1.72 0.00 0.00 179.24 178.59 2crq h LEU 29 N -1.09 0.15 -0.79 1.55 5.85 -0.96 0.20 115.31 120.22 2crq h LEU 29 Ca -0.04 0.08 0.18 0.00 0.84 0.00 0.00 57.88 58.93 2crq h LEU 29 Cb 0.30 0.07 -0.14 0.00 0.37 0.00 0.00 40.66 41.26 2crq h LEU 29 CO 0.07 -0.10 -0.08 -0.78 -0.34 0.00 0.00 178.44 177.20 2crq h ASP 30 N 0.06 -0.54 0.04 1.25 3.58 -1.19 0.19 116.42 119.82 2crq h ASP 30 Ca 0.81 0.22 -0.00 0.00 0.42 0.00 0.00 57.03 58.48 2crq h ASP 30 Cb 2.83 0.42 0.00 0.00 1.72 0.00 0.00 39.33 44.31 2crq h ASP 30 CO -0.25 -0.23 -0.02 0.74 -2.88 0.00 0.00 179.24 176.60 2crq h THR 31 N 0.05 1.02 -0.65 2.25 2.02 -0.77 -2.91 112.91 113.92 2crq h THR 31 Ca 0.42 -0.19 0.13 0.00 0.77 0.00 0.00 66.41 67.53 2crq h THR 31 Cb 0.71 1.15 -0.10 0.00 -1.74 0.00 0.00 68.15 68.18 2crq h THR 31 CO -0.76 0.05 0.13 0.11 0.37 0.00 0.00 175.52 175.42 2crq h LYS 32 N -0.13 0.24 -0.35 6.66 1.79 -1.10 -1.38 116.57 122.29 2crq h LYS 32 Ca -0.01 -0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.53 2crq h LYS 32 Cb 0.12 -0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 30.63 2crq h LYS 32 CO 0.01 0.16 -0.22 0.77 -1.08 0.00 0.00 179.45 179.09 2crq h SER 33 N 0.25 -0.72 0.43 0.86 0.02 -0.94 -0.28 113.55 113.17 2crq h SER 33 Ca 0.35 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.44 2crq h SER 33 Cb 0.55 0.37 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 2crq h SER 33 CO -0.45 -0.25 -0.28 0.11 -1.14 0.00 0.00 176.83 174.82 2crq h LYS 34 N -0.17 -0.67 -0.85 3.45 1.57 -1.18 0.10 116.57 118.82 2crq h LYS 34 Ca 0.18 0.05 0.21 0.00 -1.87 0.00 0.00 60.65 59.21 2crq h LYS 34 Cb 0.44 0.15 -0.13 0.00 0.08 0.00 0.00 32.23 32.78 2crq h LYS 34 CO -0.45 -0.44 0.30 1.96 -0.57 0.00 0.00 179.45 180.24 2crq h GLN 35 N -0.69 0.31 -0.09 3.15 1.08 -0.82 -0.17 115.11 117.88 2crq h GLN 35 Ca -0.04 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 2crq h GLN 35 Cb 0.58 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2crq h GLN 35 CO 0.03 0.21 -0.02 0.82 -0.95 0.00 0.00 178.83 178.92 2crq h ILE 36 N 0.32 1.28 -0.26 2.54 2.04 -0.69 -3.17 117.51 119.57 2crq h ILE 36 Ca 0.52 -0.91 0.06 0.00 1.00 0.00 0.00 64.86 65.53 2crq h ILE 36 Cb 0.98 1.72 -0.07 0.00 -0.74 0.00 0.00 36.82 38.71 2crq h ILE 36 CO -0.56 0.26 -0.20 -0.61 0.00 0.00 0.00 178.15 177.04 2crq h GLN 37 N -0.16 -0.18 -0.89 2.37 4.15 0.62 -0.49 115.11 120.52 2crq h GLN 37 Ca 0.02 0.01 0.24 0.00 0.77 0.00 0.00 58.65 59.69 2crq h GLN 37 Cb 0.41 0.04 -0.14 0.00 0.21 0.00 0.00 27.48 28.00 2crq h GLN 37 CO 0.01 -0.12 0.31 1.96 -1.93 0.00 0.00 178.83 179.06 2crq h GLN 38 N -0.19 0.26 0.48 1.69 7.50 -1.12 -0.89 115.11 122.85 2crq h GLN 38 Ca 0.14 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.25 2crq h GLN 38 Cb 0.41 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.88 2crq h GLN 38 CO -0.37 0.17 -0.23 -1.49 -1.50 0.00 0.00 178.83 175.41 2crq h TRP 39 N 0.27 -0.60 -1.06 2.96 6.55 -1.20 -3.20 115.95 119.67 2crq h TRP 39 Ca 0.57 -0.01 0.40 0.00 0.95 0.00 0.00 58.89 60.80 2crq h TRP 39 Cb 1.16 0.20 -0.16 0.00 -0.86 0.00 0.00 29.16 29.49 2crq h TRP 39 CO -0.20 -0.32 0.60 0.82 -1.05 0.00 0.00 178.44 178.29 2crq h ILE 40 N -1.12 0.08 -0.90 1.49 1.08 -0.35 0.74 117.51 118.53 2crq h ILE 40 Ca -0.07 -0.03 0.20 0.00 -0.39 0.00 0.00 64.86 64.58 2crq h ILE 40 Cb 0.54 -0.01 -0.11 0.00 -3.07 0.00 0.00 36.82 34.17 2crq h ILE 40 CO 0.11 0.02 0.44 -0.33 -0.69 0.00 0.00 178.15 177.69 2crq h GLU 41 N 0.08 0.49 -1.41 2.37 4.39 -1.19 0.21 114.58 119.53 2crq h GLU 41 Ca 0.82 -0.03 -0.35 0.00 0.34 0.00 0.00 59.36 60.14 2crq h GLU 41 Cb 2.19 -0.11 -0.16 0.00 -0.10 0.00 0.00 28.75 30.58 2crq h GLU 41 CO -0.68 0.32 0.45 1.63 -1.16 0.00 0.00 179.01 179.58 2crq n LYS 42 N -4.96 1.87 -4.37 2.33 5.02 0.26 -4.84 118.16 113.46 2crq n LYS 42 Ca 0.21 -1.73 -0.34 0.00 -2.02 0.00 0.00 58.31 54.44 2crq n LYS 42 Cb 0.60 -1.68 -0.09 0.00 -0.02 0.00 0.00 35.03 33.84 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 0.14 -0.90 -3.75 1.97 4.76 0.75 -4.90 118.16 116.23 2crq n LYS 43 Ca 0.33 0.10 -0.36 0.00 -2.87 0.00 0.00 58.31 55.52 2crq n LYS 43 Cb 0.65 -3.86 -0.07 0.00 -1.84 0.00 0.00 35.03 29.91 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 -4.11 3.50 -0.62 2.13 2.02 -1.21 -5.02 117.35 114.03 2crq s TYR 44 Ca 0.20 0.47 -0.28 0.00 -0.37 0.00 0.00 57.07 57.09 2crq s TYR 44 Cb -0.12 -2.11 0.02 0.00 -0.40 0.00 0.00 41.96 39.35 2crq s TYR 44 CO 1.01 0.45 1.35 -1.01 -1.57 0.00 0.00 175.55 175.78 2crq s HIS 45 N -0.17 2.32 -0.31 2.71 3.76 -1.26 -4.30 115.29 118.04 2crq s HIS 45 Ca 0.12 0.32 -0.16 0.00 -0.15 0.00 0.00 55.06 55.19 2crq s HIS 45 Cb -0.12 -4.48 -0.02 0.00 1.11 0.00 0.00 32.58 29.07 2crq s HIS 45 CO 0.02 -1.94 0.43 0.08 -0.85 0.00 0.00 174.74 172.48 2crq s VAL 46 N 5.90 5.11 -0.35 -0.90 1.01 -1.25 -2.47 120.40 127.46 2crq s VAL 46 Ca 0.46 0.44 -0.17 0.00 0.00 0.00 0.00 61.98 62.70 2crq s VAL 46 Cb -0.09 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 2crq s VAL 46 CO 0.22 -0.01 0.48 -1.58 0.00 0.00 0.00 175.10 174.21 2crq s GLN 47 N 2.18 3.60 -0.19 2.72 0.74 -0.53 -2.78 119.66 125.40 2crq s GLN 47 Ca 0.16 -0.22 -0.07 0.00 0.05 0.00 0.00 55.36 55.28 2crq s GLN 47 Cb -0.16 -3.81 -0.04 0.00 1.10 0.00 0.00 33.01 30.10 2crq s GLN 47 CO 0.11 -0.62 0.05 0.08 -0.55 0.00 0.00 175.29 174.36 2crq s VAL 48 N 2.31 4.57 -0.27 1.34 1.01 -0.14 0.41 120.40 129.64 2crq s VAL 48 Ca 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 2crq s VAL 48 Cb -0.16 -3.07 0.08 0.00 0.00 0.00 0.00 36.38 33.23 2crq s VAL 48 CO 0.13 0.44 0.04 -0.89 0.00 0.00 0.00 175.10 174.81 2crq s THR 49 N 0.64 1.15 -0.23 3.92 2.01 -0.78 -1.56 115.64 120.80 2crq s THR 49 Ca 0.03 -1.29 -0.25 0.00 0.31 0.00 0.00 61.69 60.49 2crq s THR 49 Cb -0.13 -1.69 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 2crq s THR 49 CO 0.02 -0.41 0.82 -0.63 -0.69 0.00 0.00 174.62 173.73 2crq s ILE 50 N 1.52 4.85 -0.46 1.82 1.01 -0.77 -3.15 121.20 126.03 2crq s ILE 50 Ca 0.03 1.57 -0.27 0.00 0.00 0.00 0.00 60.65 61.98 2crq s ILE 50 Cb -0.18 -4.12 0.03 0.00 0.01 0.00 0.00 42.46 38.20 2crq s ILE 50 CO -0.14 -0.05 1.00 -0.54 0.00 0.00 0.00 174.94 175.20 2crq s LYS 51 N 2.70 3.61 0.05 2.79 1.02 -0.69 -3.08 119.74 126.13 2crq s LYS 51 Ca 0.35 0.31 0.02 0.00 0.02 0.00 0.00 55.97 56.67 2crq s LYS 51 Cb -0.15 -3.92 -0.04 0.00 -0.52 0.00 0.00 37.83 33.20 2crq s LYS 51 CO 0.08 -1.27 0.09 0.50 -0.92 0.00 0.00 175.35 173.83 2crq s ARG 52 N 3.99 2.98 0.61 1.68 6.06 -1.26 -3.98 118.95 129.04 2crq s ARG 52 Ca 0.41 -0.60 0.05 0.00 -2.50 0.00 0.00 55.73 53.10 2crq s ARG 52 Cb -0.09 -2.79 0.11 0.00 0.06 0.00 0.00 34.95 32.24 2crq s ARG 52 CO 0.28 0.60 0.85 0.54 -2.50 0.00 0.00 175.30 175.07 2crq n ARG 53 N 0.74 0.34 -0.11 5.12 3.00 -1.26 -4.63 116.66 119.86 2crq n ARG 53 Ca -0.10 -2.84 -0.12 0.00 -0.01 0.00 0.00 57.85 54.78 2crq n ARG 53 Cb 0.52 -0.39 -0.14 0.00 0.00 0.00 0.00 32.46 32.44 2crq n ARG 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2crq n LYS 54 N -2.44 0.72 -2.30 5.56 5.02 -1.26 -4.57 118.16 118.90 2crq n LYS 54 Ca 0.16 0.04 -0.16 0.00 -2.02 0.00 0.00 58.31 56.33 2crq n LYS 54 Cb 0.57 -1.51 0.03 0.00 -0.02 0.00 0.00 35.03 34.10 2crq n LYS 54 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2crq n ASP 55 N -2.90 3.81 -1.57 4.39 9.92 -1.26 -4.87 116.55 124.08 2crq n ASP 55 Ca -0.36 -3.18 -0.03 0.00 -0.53 0.00 0.00 54.79 50.69 2crq n ASP 55 Cb 1.09 -0.39 0.01 0.00 -0.64 0.00 0.00 41.12 41.19 2crq n ASP 55 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2crq n ALA 56 N -0.66 4.19 -3.19 2.24 0.00 -1.26 -4.78 120.51 117.04 2crq n ALA 56 Ca 0.32 -0.30 -0.22 0.00 0.00 0.00 0.00 53.44 53.24 2crq n ALA 56 Cb 0.91 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.25 2crq n ALA 56 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2crq n GLU 57 N 1.29 -0.86 -4.20 0.00 0.00 -1.26 -4.81 120.64 110.80 2crq n GLU 57 Ca 0.05 0.07 -0.15 0.00 0.00 0.00 0.00 57.16 57.13 2crq n GLU 57 Cb 0.51 -2.45 -0.08 0.00 0.00 0.00 0.00 31.44 29.42 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 -4.51 1.57 0.25 3.44 -1.52 -1.26 -5.18 119.66 112.45 2crq s GLN 58 Ca 0.39 -1.78 0.10 0.00 -1.95 0.00 0.00 55.36 52.11 2crq s GLN 58 Cb -0.23 0.34 -0.04 0.00 -0.22 0.00 0.00 33.01 32.86 2crq s GLN 58 CO 0.55 -0.58 -0.05 -1.12 -0.25 0.00 0.00 175.29 173.84 2crq s SER 59 N -3.25 4.34 0.44 5.90 0.01 -1.26 -5.01 113.70 114.87 2crq s SER 59 Ca 0.37 -0.69 0.15 0.00 1.31 0.00 0.00 55.95 57.10 2crq s SER 59 Cb 0.03 -0.74 1.07 0.00 0.21 0.00 0.00 66.02 66.60 2crq s SER 59 CO 0.20 0.03 1.97 1.05 0.41 0.00 0.00 173.24 176.89 2crq h GLU 60 N 2.15 0.36 -0.29 12.44 9.09 -2.00 -2.16 114.58 134.17 2crq h GLU 60 Ca -0.44 -0.02 0.07 0.00 0.05 0.00 0.00 59.36 59.02 2crq h GLU 60 Cb 1.24 -0.08 -0.07 0.00 -1.65 0.00 0.00 28.75 28.19 2crq h GLU 60 CO 0.59 0.24 -0.19 0.93 0.05 0.00 0.00 179.01 180.63 2crq h GLU 61 N 0.37 -0.16 -0.95 1.06 5.08 -2.00 -0.79 114.58 117.20 2crq h GLU 61 Ca 0.30 0.01 0.26 0.00 -1.00 0.00 0.00 59.36 58.93 2crq h GLU 61 Cb 0.67 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.82 2crq h GLU 61 CO -0.08 -0.10 0.47 0.93 -1.00 0.00 0.00 179.01 179.22 2crq h GLU 62 N -0.16 0.36 0.31 2.33 4.39 -1.80 0.20 114.58 120.21 2crq h GLU 62 Ca 0.16 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 2crq h GLU 62 Cb 0.40 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2crq h GLU 62 CO -0.39 0.24 -0.17 1.15 -1.16 0.00 0.00 179.01 178.68 2crq h THR 63 N 0.37 0.64 -0.17 1.13 2.02 -1.23 -3.06 112.91 112.61 2crq h THR 63 Ca 0.64 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.81 2crq h THR 63 Cb 1.32 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 2crq h THR 63 CO -0.57 0.00 0.09 -0.33 0.37 0.00 0.00 175.52 175.08 2crq h GLU 64 N -0.45 0.24 -1.03 6.66 5.08 -0.80 -2.74 114.58 121.55 2crq h GLU 64 Ca -0.04 -0.03 0.39 0.00 -1.00 0.00 0.00 59.36 58.69 2crq h GLU 64 Cb 0.37 -0.05 -0.14 0.00 0.50 0.00 0.00 28.75 29.43 2crq h GLU 64 CO 0.05 0.27 0.61 0.39 -1.00 0.00 0.00 179.01 179.33 2crq n GLU 65 N -4.90 -0.04 0.11 2.33 -0.58 0.51 -0.40 120.64 117.66 2crq n GLU 65 Ca -0.04 1.18 -0.11 0.00 -0.42 0.00 0.00 57.16 57.77 2crq n GLU 65 Cb 0.09 -2.20 -0.06 0.00 -0.57 0.00 0.00 31.44 28.69 2crq n GLU 65 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2crq h ILE 66 N 0.00 0.00 -0.92 -3.67 1.08 -1.43 -0.31 117.51 112.25 2crq h ILE 66 Ca 0.77 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 65.42 2crq h ILE 66 Cb 2.22 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 35.79 2crq h ILE 66 CO -0.57 0.00 -0.23 0.49 -0.69 0.00 0.00 178.15 177.14 2crq n PHE 67 N -4.37 0.32 0.38 1.37 3.72 0.46 -1.03 117.46 118.30 2crq n PHE 67 Ca -0.06 1.12 -0.15 0.00 -0.05 0.00 0.00 57.45 58.31 2crq n PHE 67 Cb 0.27 -1.03 -0.07 0.00 -0.94 0.00 0.00 39.48 37.72 2crq n PHE 67 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2crq h ASN 68 N 0.00 -0.82 -0.94 4.37 2.35 -1.42 -2.01 115.58 117.11 2crq h ASN 68 Ca 0.44 0.03 0.09 0.00 -0.55 0.00 0.00 56.30 56.30 2crq h ASN 68 Cb 0.67 0.21 -0.11 0.00 0.05 0.00 0.00 38.32 39.14 2crq h ASN 68 CO -0.95 -0.56 -0.56 0.00 -1.65 0.00 0.00 177.43 173.71 2crq n GLN 69 N -4.75 -0.42 -0.23 0.81 1.13 -0.17 0.13 117.38 113.88 2crq n GLN 69 Ca -0.12 1.44 0.15 0.00 -1.94 0.00 0.00 57.00 56.53 2crq n GLN 69 Cb 0.38 -2.12 0.45 0.00 0.11 0.00 0.00 30.24 29.06 2crq n GLN 69 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 2crq h ILE 70 N 0.00 0.78 0.00 5.09 2.04 -1.20 0.24 117.51 124.45 2crq h ILE 70 Ca 0.15 -0.18 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 2crq h ILE 70 Cb 0.39 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2crq h ILE 70 CO -0.89 0.10 -0.37 0.25 0.00 0.00 0.00 178.15 177.24 2crq h LEU 71 N 0.54 0.00 0.00 1.44 5.85 0.19 -2.50 115.31 120.82 2crq h LEU 71 Ca 0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.16 2crq h LEU 71 Cb 0.88 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2crq h LEU 71 CO -0.18 0.37 0.00 0.00 -0.34 0.00 0.00 178.44 178.29 2crq n GLN 72 N -3.82 0.05 -0.06 1.25 6.02 0.85 -1.23 117.38 120.44 2crq n GLN 72 Ca -0.01 0.30 -0.08 0.00 -0.01 0.00 0.00 57.00 57.20 2crq n GLN 72 Cb 0.44 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 30.05 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 -1.36 1.36 -2.44 5.09 -2.24 -0.94 -4.48 114.28 109.26 2crq n THR 73 Ca 0.02 -0.81 -0.17 0.00 -2.27 0.00 0.00 64.05 60.82 2crq n THR 73 Cb 0.05 -0.62 0.02 0.00 -2.10 0.00 0.00 70.33 67.68 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 -2.82 2.71 0.00 -0.78 0.00 -0.44 -4.83 117.12 110.96 2crq n MET 74 Ca -0.25 -3.96 0.07 0.00 0.00 0.00 0.00 57.70 53.56 2crq n MET 74 Cb 1.07 -1.94 0.39 0.00 0.00 0.00 0.00 33.22 32.75 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 -0.49 0.28 0.00 3.17 -0.04 -0.36 0.66 135.00 138.21 2crq n PRO 75 Ca 0.28 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 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 -0.25 -0.04 0.00 0.00 175.50 175.21 2crq n ASP 76 N -1.21 0.28 0.00 3.54 8.00 -1.26 -4.77 116.55 121.13 2crq n ASP 76 Ca 0.08 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.90 2crq n ASP 76 Cb 0.10 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 2crq n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2crq n ILE 77 N -0.21 0.00 -4.13 0.53 3.06 -1.01 -4.81 119.36 112.79 2crq n ILE 77 Ca 0.00 -0.04 -0.10 0.00 -2.50 0.00 0.00 62.75 60.11 2crq n ILE 77 Cb 0.07 0.52 -0.10 0.00 0.54 0.00 0.00 39.64 40.67 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 -1.84 0.79 0.04 1.51 0.00 0.21 -3.28 121.76 119.20 2crq s ALA 78 Ca 0.00 -1.23 -0.15 0.00 0.00 0.00 0.00 51.96 50.58 2crq s ALA 78 Cb 0.00 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.32 2crq s ALA 78 CO 0.00 -0.25 0.33 -0.08 0.00 0.00 0.00 175.76 175.77 2crq s THR 79 N -3.41 0.07 -0.36 0.00 -1.32 -0.50 -4.37 115.64 105.76 2crq s THR 79 Ca 0.08 -0.62 -0.31 0.00 -1.21 0.00 0.00 61.69 59.63 2crq s THR 79 Cb 0.04 -0.94 -0.09 0.00 -1.51 0.00 0.00 72.50 70.00 2crq s THR 79 CO -0.05 -0.34 2.26 0.49 -2.21 0.00 0.00 174.62 174.77 2crq n PHE 80 N 0.56 1.64 -0.07 9.09 3.72 -1.26 -2.72 117.46 128.42 2crq n PHE 80 Ca -0.19 0.13 -0.12 0.00 -0.05 0.00 0.00 57.45 57.22 2crq n PHE 80 Cb 0.59 -2.60 -0.09 0.00 -0.94 0.00 0.00 39.48 36.44 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 14.27 0.00 -3.46 4.37 0.87 -1.68 -3.44 113.55 124.47 2crq h SER 81 Ca -0.30 -0.61 -0.62 0.00 -1.23 0.00 0.00 61.79 59.03 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 1.04 1.00 -0.75 -0.44 -0.53 0.00 0.00 176.83 177.16 2crq s SER 82 N -6.21 4.31 0.12 6.23 0.01 -1.15 -4.95 113.70 112.06 2crq s SER 82 Ca -0.17 -1.78 -0.21 0.00 1.31 0.00 0.00 55.95 55.10 2crq s SER 82 Cb 0.00 -1.24 -0.12 0.00 0.21 0.00 0.00 66.02 64.86 2crq s SER 82 CO 0.50 -0.37 0.43 0.54 0.41 0.00 0.00 173.24 174.75 2crq n ARG 83 N 4.56 0.00 -2.08 12.44 3.00 -1.26 -3.44 116.66 129.88 2crq n ARG 83 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.41 2crq n ARG 83 Cb 0.42 -0.76 -0.03 0.00 0.00 0.00 0.00 32.46 32.10 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 -0.58 3.24 0.36 5.56 0.04 -1.26 -4.77 135.00 137.59 2crq s PRO 84 Ca 0.48 1.15 0.07 0.00 0.04 0.00 0.00 61.00 62.75 2crq s PRO 84 Cb -0.69 -4.20 -0.01 0.00 0.04 0.00 0.00 34.50 29.64 2crq s PRO 84 CO 0.39 -1.98 0.48 -1.59 0.04 0.00 0.00 177.00 174.34 2crq s LYS 85 N 5.80 2.97 -0.31 4.56 -2.85 -1.08 -4.89 119.74 123.95 2crq s LYS 85 Ca 0.73 -1.13 -0.26 0.00 -1.00 0.00 0.00 55.97 54.32 2crq s LYS 85 Cb -0.19 -2.76 0.01 0.00 -2.06 0.00 0.00 37.83 32.84 2crq s LYS 85 CO 0.31 -0.05 0.91 0.00 0.10 0.00 0.00 175.35 176.62 2crq s ALA 86 N -2.25 3.52 0.40 0.59 0.00 -1.26 -2.85 121.76 119.91 2crq s ALA 86 Ca 0.48 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 52.23 2crq s ALA 86 Cb -0.09 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 2crq s ALA 86 CO 0.31 -1.31 0.03 0.96 0.00 0.00 0.00 175.76 175.75 2crq s ILE 87 N 3.24 1.51 -1.01 0.00 -4.36 0.12 -4.47 121.20 116.23 2crq s ILE 87 Ca 0.38 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.73 2crq s ILE 87 Cb -0.13 -2.75 0.00 0.00 1.25 0.00 0.00 42.46 40.83 2crq s ILE 87 CO 0.13 0.00 0.50 0.54 0.24 0.00 0.00 174.94 176.36 2crq n ARG 88 N -0.93 -3.79 -2.50 0.37 5.12 -1.26 -1.13 116.66 112.54 2crq n ARG 88 Ca -0.07 0.60 -0.06 0.00 -1.93 0.00 0.00 57.85 56.40 2crq n ARG 88 Cb 0.67 -4.83 0.01 0.00 -1.16 0.00 0.00 32.46 27.14 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 -1.33 0.41 2.67 -0.13 0.00 -1.26 -3.64 105.19 101.91 2crq n GLY 89 Ca -0.06 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.93 0.09 1.24 -0.02 0.00 -1.15 -4.93 105.19 99.48 2crq n GLY 90 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.83 0.12 -4.05 2.61 -1.04 -0.80 -4.95 114.28 102.34 2crq n THR 91 Ca -0.01 0.04 -0.28 0.00 -2.04 0.00 0.00 64.05 61.76 2crq n THR 91 Cb 0.54 -1.28 -0.06 0.00 -1.82 0.00 0.00 70.33 67.72 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 -2.00 3.61 -0.07 2.41 0.00 -0.28 -4.32 121.76 121.10 2crq s ALA 92 Ca 0.00 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.88 2crq s ALA 92 Cb 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 2crq s ALA 92 CO 0.00 0.64 -0.07 -1.12 0.00 0.00 0.00 175.76 175.21 2crq s SER 93 N -2.74 4.61 0.03 0.00 0.01 -1.18 0.16 113.70 114.59 2crq s SER 93 Ca 0.31 -0.04 0.06 0.00 1.31 0.00 0.00 55.95 57.59 2crq s SER 93 Cb -0.11 -1.18 -0.02 0.00 0.21 0.00 0.00 66.02 64.91 2crq s SER 93 CO 0.23 0.35 -0.18 -0.32 0.41 0.00 0.00 173.24 173.73 2crq s MET 94 N -0.74 1.26 0.17 12.44 0.00 -1.13 -1.84 119.30 129.45 2crq s MET 94 Ca 0.11 -0.83 -0.22 0.00 0.00 0.00 0.00 55.69 54.76 2crq s MET 94 Cb -0.11 -1.31 0.06 0.00 0.00 0.00 0.00 34.83 33.46 2crq s MET 94 CO 0.01 0.34 0.59 0.00 0.00 0.00 0.00 175.02 175.96 2crq s VAL 96 N -3.78 2.08 0.06 0.00 1.01 -1.22 -0.96 120.40 117.58 2crq s VAL 96 Ca 0.03 -2.09 0.08 0.00 0.00 0.00 0.00 61.98 60.00 2crq s VAL 96 Cb -0.01 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 2crq s VAL 96 CO -0.10 -0.32 -0.23 -0.36 0.00 0.00 0.00 175.10 174.08 2crq s PHE 97 N -2.18 2.03 0.16 5.22 0.40 -1.12 -1.79 117.98 120.70 2crq s PHE 97 Ca 0.21 -0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 56.14 2crq s PHE 97 Cb -0.05 -1.19 -0.04 0.00 0.51 0.00 0.00 43.02 42.25 2crq s PHE 97 CO 0.09 0.14 0.07 -0.98 0.70 0.00 0.00 175.22 175.25 2crq s ARG 98 N -1.38 1.06 0.02 0.44 1.70 -1.10 -3.83 118.95 115.87 2crq s ARG 98 Ca 0.09 -1.53 -0.24 0.00 -0.47 0.00 0.00 55.73 53.59 2crq s ARG 98 Cb -0.09 0.15 -0.05 0.00 -0.57 0.00 0.00 34.95 34.38 2crq s ARG 98 CO 0.03 -0.28 0.73 -1.58 -1.08 0.00 0.00 175.30 173.12 2crq s HIS 99 N -4.01 3.71 0.88 5.89 5.65 -1.26 -1.41 115.29 124.74 2crq s HIS 99 Ca 0.29 1.40 -0.13 0.00 0.25 0.00 0.00 55.06 56.88 2crq s HIS 99 Cb 0.07 -2.78 0.07 0.00 -1.18 0.00 0.00 32.58 28.75 2crq s HIS 99 CO 0.06 0.26 0.81 1.28 -0.65 0.00 0.00 174.74 176.51 2crq n LEU 100 N 2.91 2.01 -4.79 8.88 4.77 -1.21 -4.89 117.00 124.69 2crq n LEU 100 Ca -0.03 0.45 -0.38 0.00 -0.03 0.00 0.00 56.01 56.02 2crq n LEU 100 Cb 0.50 -1.35 -0.06 0.00 -2.33 0.00 0.00 43.42 40.18 2crq n LEU 100 CO 0.47 -2.69 0.45 -0.55 -1.33 0.00 0.00 177.39 173.73 2crq s SER 101 N -2.12 7.28 0.21 -1.43 0.15 -1.26 -4.78 113.70 111.75 2crq s SER 101 Ca 0.65 1.56 -0.11 0.00 0.70 0.00 0.00 55.95 58.75 2crq s SER 101 Cb -0.26 -2.47 0.29 0.00 -1.71 0.00 0.00 66.02 61.87 2crq s SER 101 CO 0.59 0.17 1.30 1.17 1.20 0.00 0.00 173.24 177.67 2crq n LYS 102 N 1.37 -0.14 -0.34 5.44 3.00 -1.26 0.12 118.16 126.36 2crq n LYS 102 Ca -0.05 1.29 0.20 0.00 -0.00 0.00 0.00 58.31 59.75 2crq n LYS 102 Cb 0.49 -1.92 0.38 0.00 0.00 0.00 0.00 35.03 33.98 2crq n LYS 102 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2crq n LYS 103 N -5.29 -0.07 -0.06 1.64 3.00 -1.26 -1.80 118.16 114.32 2crq n LYS 103 Ca 0.11 1.45 -0.06 0.00 -0.00 0.00 0.00 58.31 59.81 2crq n LYS 103 Cb 0.37 -2.39 -0.04 0.00 0.00 0.00 0.00 35.03 32.98 2crq n LYS 103 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2crq h GLU 104 N 0.00 0.00 -5.82 1.64 4.57 0.51 -3.45 114.58 112.03 2crq h GLU 104 Ca 0.67 0.00 -0.59 0.00 -1.18 0.00 0.00 59.36 58.26 2crq h GLU 104 Cb 1.53 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 30.04 2crq h GLU 104 CO -0.88 0.26 0.37 -2.00 -1.18 0.00 0.00 179.01 175.58 2crq s GLU 105 N -1.94 4.23 0.23 1.92 -6.30 -0.19 -5.03 118.70 111.62 2crq s GLU 105 Ca -0.10 0.91 0.09 0.00 -2.50 0.00 0.00 54.97 53.36 2crq s GLU 105 Cb 0.01 -3.61 -0.04 0.00 0.00 0.00 0.00 34.13 30.49 2crq s GLU 105 CO 0.23 -0.39 -0.02 0.15 0.02 0.00 0.00 175.26 175.25 2crq s LYS 106 N 2.41 2.28 -1.33 4.30 3.01 -1.25 -4.18 119.74 124.97 2crq s LYS 106 Ca 0.35 -1.32 -0.13 0.00 -1.01 0.00 0.00 55.97 53.87 2crq s LYS 106 Cb -0.16 -2.21 0.11 0.00 -1.01 0.00 0.00 37.83 34.56 2crq s LYS 106 CO 0.10 0.40 0.52 -1.13 0.51 0.00 0.00 175.35 175.75 2crq n SER 107 N -0.55 -3.06 0.00 2.83 3.41 -1.26 -4.88 113.62 110.11 2crq n SER 107 Ca -0.08 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 2crq n SER 107 Cb 0.57 -2.56 0.00 0.00 -0.26 0.00 0.00 64.21 61.97 2crq n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crq n GLY 108 N -1.13 1.01 3.61 5.00 0.00 -1.26 -4.85 105.19 107.58 2crq n GLY 108 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.02 3.56 -0.17 1.61 0.04 -1.26 -4.99 135.00 133.77 2crq s PRO 109 Ca 0.00 1.45 -0.02 0.00 0.04 0.00 0.00 61.00 62.47 2crq s PRO 109 Cb 0.00 -4.10 -0.01 0.00 0.04 0.00 0.00 34.50 30.42 2crq s PRO 109 CO 0.00 -1.58 -0.10 0.45 0.04 0.00 0.00 177.00 175.81 2crq s SER 110 N 5.00 4.13 -1.75 6.66 0.15 -1.26 -4.64 113.70 121.99 2crq s SER 110 Ca 0.74 -0.35 -0.19 0.00 0.70 0.00 0.00 55.95 56.84 2crq s SER 110 Cb -0.22 -1.66 0.18 0.00 -1.71 0.00 0.00 66.02 62.60 2crq s SER 110 CO 0.32 0.09 0.71 -1.54 1.20 0.00 0.00 173.24 174.02 2crq n SER 111 N 4.04 -2.72 -0.09 5.45 3.41 -1.26 -5.29 113.62 117.17 2crq n SER 111 Ca -0.18 -1.09 0.16 0.00 -0.26 0.00 0.00 58.87 57.50 2crq n SER 111 Cb 0.52 -2.41 0.87 0.00 -0.26 0.00 0.00 64.21 62.93 2crq n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49