#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 -0.01 0.29 1.61 0.01 -1.26 -5.18 113.70 109.16 2crq s SER 2 Ca 0.00 -0.90 0.03 0.00 1.31 0.00 0.00 55.95 56.39 2crq s SER 2 Cb 0.00 0.48 -0.06 0.00 0.21 0.00 0.00 66.02 66.66 2crq s SER 2 CO 0.00 -0.97 0.06 -0.94 0.41 0.00 0.00 173.24 171.79 2crq s SER 3 N -2.99 2.02 0.00 2.44 1.04 -1.26 -5.07 113.70 109.88 2crq s SER 3 Ca 0.20 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.28 2crq s SER 3 Cb 0.02 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2crq s SER 3 CO 0.03 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.25 2crq n GLY 4 N -0.59 0.30 3.13 7.32 0.00 -1.26 -5.18 105.19 108.91 2crq n GLY 4 Ca -0.02 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 2crq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crq s SER 5 N 0.00 1.09 0.25 1.61 0.01 -1.26 -5.17 113.70 110.23 2crq s SER 5 Ca 0.00 -0.81 -0.09 0.00 1.31 0.00 0.00 55.95 56.36 2crq s SER 5 Cb 0.00 0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.28 2crq s SER 5 CO 0.00 -0.34 0.40 -0.44 0.41 0.00 0.00 173.24 173.27 2crq s SER 6 N -2.42 0.09 -0.12 2.44 0.01 -1.26 -5.18 113.70 107.26 2crq s SER 6 Ca 0.03 -1.10 -0.26 0.00 1.31 0.00 0.00 55.95 55.93 2crq s SER 6 Cb -0.02 0.55 0.06 0.00 0.21 0.00 0.00 66.02 66.83 2crq s SER 6 CO -0.02 -1.09 0.62 -0.83 0.41 0.00 0.00 173.24 172.32 2crq s GLY 7 N -3.08 -0.49 0.01 3.44 0.00 -1.26 -5.14 107.32 100.81 2crq s GLY 7 Ca 0.27 1.37 -0.30 0.00 0.00 0.00 0.00 44.72 46.06 2crq s GLY 7 CO 0.11 1.07 1.44 2.56 0.00 0.00 0.00 173.10 178.28 2crq s PRO 8 N -0.63 4.27 -0.03 2.90 0.04 -1.26 -5.01 135.00 135.28 2crq s PRO 8 Ca -0.07 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 62.79 2crq s PRO 8 Cb -0.02 -3.58 -0.05 0.00 0.04 0.00 0.00 34.50 30.89 2crq s PRO 8 CO 0.06 -0.60 0.55 0.15 0.04 0.00 0.00 177.00 177.20 2crq s LYS 9 N 2.44 4.28 -0.08 4.56 -0.14 -1.26 -5.07 119.74 124.48 2crq s LYS 9 Ca 0.65 0.64 -0.11 0.00 -1.36 0.00 0.00 55.97 55.79 2crq s LYS 9 Cb -0.33 -3.35 0.03 0.00 -1.68 0.00 0.00 37.83 32.50 2crq s LYS 9 CO 0.27 0.35 0.29 -0.08 -0.76 0.00 0.00 175.35 175.42 2crq s THR 10 N -0.08 0.02 0.00 2.17 -1.32 -1.26 -5.17 115.64 110.01 2crq s THR 10 Ca 0.29 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 2crq s THR 10 Cb -0.17 -0.48 0.00 0.00 -1.51 0.00 0.00 72.50 70.34 2crq s THR 10 CO 0.15 -0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 2crq n GLY 11 N 2.34 2.41 3.27 6.08 0.00 -1.26 -5.18 105.19 112.85 2crq n GLY 11 Ca -0.16 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 2crq n GLY 11 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crq n PRO 12 N 0.00 -3.03 -4.94 1.61 -0.04 -1.26 -5.06 135.00 122.28 2crq n PRO 12 Ca 0.00 -1.63 -0.32 0.00 -0.04 0.00 0.00 63.50 61.51 2crq n PRO 12 Cb 0.00 -1.53 -0.16 0.00 -0.04 0.00 0.00 33.50 31.77 2crq n PRO 12 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2crq s THR 13 N -2.84 2.34 0.25 0.52 2.01 -1.26 -5.12 115.64 111.55 2crq s THR 13 Ca 0.66 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.81 2crq s THR 13 Cb -0.07 -1.93 -0.02 0.00 0.01 0.00 0.00 72.50 70.49 2crq s THR 13 CO 0.51 0.54 0.23 0.23 -0.69 0.00 0.00 174.62 175.44 2crq n MET 14 N 3.69 0.33 -4.04 4.92 2.81 -1.26 -5.17 117.12 118.41 2crq n MET 14 Ca -0.19 -2.46 -0.18 0.00 -1.81 0.00 0.00 57.70 53.06 2crq n MET 14 Cb 0.53 2.06 -0.16 0.00 -0.71 0.00 0.00 33.22 34.93 2crq n MET 14 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2crq s THR 15 N -2.98 0.32 0.57 2.03 2.01 -1.26 -4.38 115.64 111.94 2crq s THR 15 Ca 0.29 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.28 2crq s THR 15 Cb 0.01 -0.37 0.04 0.00 0.01 0.00 0.00 72.50 72.19 2crq s THR 15 CO 0.21 0.17 0.80 -0.54 -0.69 0.00 0.00 174.62 174.56 2crq s LYS 16 N 0.83 2.46 -0.08 4.92 -0.14 -0.86 -5.03 119.74 121.83 2crq s LYS 16 Ca -0.09 -0.83 -0.07 0.00 -1.36 0.00 0.00 55.97 53.62 2crq s LYS 16 Cb -0.13 -2.48 0.03 0.00 -1.68 0.00 0.00 37.83 33.57 2crq s LYS 16 CO -0.01 -0.78 0.22 -1.21 -0.76 0.00 0.00 175.35 172.81 2crq s GLU 17 N -4.80 0.24 -0.06 1.68 8.01 -1.26 -2.73 118.70 119.78 2crq s GLU 17 Ca 0.58 0.34 0.00 0.00 0.01 0.00 0.00 54.97 55.90 2crq s GLU 17 Cb -0.10 0.08 0.02 0.00 -4.31 0.00 0.00 34.13 29.82 2crq s GLU 17 CO 0.39 -0.05 -0.04 -1.17 0.01 0.00 0.00 175.26 174.40 2crq s LEU 18 N 0.32 1.14 -0.04 1.80 2.96 -0.60 -4.93 118.68 119.32 2crq s LEU 18 Ca -0.02 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 2crq s LEU 18 Cb -0.03 -0.50 0.02 0.00 0.50 0.00 0.00 46.19 46.18 2crq s LEU 18 CO -0.01 -0.09 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.19 2crq s VAL 19 N 1.25 0.54 0.31 1.68 1.01 -1.26 -0.49 120.40 123.45 2crq s VAL 19 Ca -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 2crq s VAL 19 Cb -0.14 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.70 2crq s VAL 19 CO -0.02 0.22 0.44 2.22 0.00 0.00 0.00 175.10 177.96 2crq n PHE 20 N 3.92 -1.34 -3.64 5.22 -1.74 -1.15 -5.01 117.46 113.72 2crq n PHE 20 Ca -0.25 -2.10 -0.31 0.00 -0.56 0.00 0.00 57.45 54.23 2crq n PHE 20 Cb 0.51 0.49 -0.05 0.00 1.52 0.00 0.00 39.48 41.96 2crq n PHE 20 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2crq s SER 21 N -2.94 6.50 0.38 5.98 0.15 -1.26 0.31 113.70 122.82 2crq s SER 21 Ca 0.26 0.62 0.10 0.00 0.70 0.00 0.00 55.95 57.63 2crq s SER 21 Cb -0.01 -2.10 0.75 0.00 -1.71 0.00 0.00 66.02 62.95 2crq s SER 21 CO 0.19 0.03 1.88 0.28 1.20 0.00 0.00 173.24 176.82 2crq h SER 22 N 2.73 0.19 -0.81 5.45 0.02 -1.88 -3.11 113.55 116.14 2crq h SER 22 Ca -0.46 -0.05 -0.51 0.00 -0.84 0.00 0.00 61.79 59.93 2crq h SER 22 Cb 1.17 -0.05 -0.13 0.00 0.14 0.00 0.00 62.40 63.53 2crq h SER 22 CO 0.72 0.40 1.02 -0.46 -1.14 0.00 0.00 176.83 177.37 2crq n ASN 23 N -4.23 6.81 -4.69 3.07 0.23 -1.26 -4.92 115.26 110.27 2crq n ASN 23 Ca -0.01 -3.01 -0.36 0.00 -0.53 0.00 0.00 54.58 50.67 2crq n ASN 23 Cb 0.31 -1.32 -0.08 0.00 -2.08 0.00 0.00 39.78 36.60 2crq n ASN 23 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 2crq s ILE 24 N -1.03 5.34 0.89 1.53 2.07 -1.18 -5.08 121.20 123.74 2crq s ILE 24 Ca 0.60 0.34 -0.11 0.00 -1.41 0.00 0.00 60.65 60.08 2crq s ILE 24 Cb 0.31 -3.56 0.13 0.00 0.13 0.00 0.00 42.46 39.47 2crq s ILE 24 CO -0.14 0.36 1.11 -0.83 -1.91 0.00 0.00 174.94 173.54 2crq s GLY 25 N 0.76 1.67 0.12 1.50 0.00 -1.26 -4.69 107.32 105.41 2crq s GLY 25 Ca 0.11 0.37 -0.19 0.00 0.00 0.00 0.00 44.72 45.01 2crq s GLY 25 CO 0.03 0.80 1.73 -1.61 0.00 0.00 0.00 173.10 174.05 2crq h GLN 26 N -1.68 0.35 -1.04 2.90 5.75 -1.98 0.13 115.11 119.54 2crq h GLN 26 Ca -0.45 -0.04 0.27 0.00 -0.15 0.00 0.00 58.65 58.27 2crq h GLN 26 Cb 1.26 -0.07 -0.09 0.00 1.07 0.00 0.00 27.48 29.65 2crq h GLN 26 CO 0.47 0.30 0.67 1.25 -2.65 0.00 0.00 178.83 178.87 2crq h HIS 27 N 0.31 0.67 0.00 3.99 2.76 -2.00 0.18 115.15 121.05 2crq h HIS 27 Ca 0.09 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.25 2crq h HIS 27 Cb 0.05 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 2crq h HIS 27 CO -0.04 0.06 -0.33 -0.44 -1.30 0.00 0.00 177.93 175.88 2crq h ASP 28 N 0.40 0.00 -0.98 3.26 3.32 -1.79 -3.36 116.42 117.25 2crq h ASP 28 Ca 0.60 -0.32 0.28 0.00 0.02 0.00 0.00 57.03 57.61 2crq h ASP 28 Cb 1.51 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.92 2crq h ASP 28 CO -0.30 0.84 0.54 0.25 -1.72 0.00 0.00 179.24 178.85 2crq h LEU 29 N -1.00 0.52 -0.50 1.55 5.85 -0.28 -0.21 115.31 121.24 2crq h LEU 29 Ca -0.06 0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.92 2crq h LEU 29 Cb 0.57 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.61 2crq h LEU 29 CO -0.03 -0.04 -0.34 -0.78 -0.34 0.00 0.00 178.44 176.91 2crq h ASP 30 N 0.42 -1.14 -0.39 1.25 3.58 -0.80 -0.74 116.42 118.60 2crq h ASP 30 Ca 0.67 0.21 0.01 0.00 0.42 0.00 0.00 57.03 58.34 2crq h ASP 30 Cb 1.41 0.55 -0.02 0.00 1.72 0.00 0.00 39.33 42.99 2crq h ASP 30 CO -0.56 -0.31 0.25 0.74 -2.88 0.00 0.00 179.24 176.48 2crq h THR 31 N -0.21 1.08 -0.86 2.25 2.02 -1.20 -1.98 112.91 114.02 2crq h THR 31 Ca 0.20 -0.17 0.19 0.00 0.77 0.00 0.00 66.41 67.39 2crq h THR 31 Cb 0.54 0.53 -0.11 0.00 -1.74 0.00 0.00 68.15 67.37 2crq h THR 31 CO -0.61 0.09 0.39 0.11 0.37 0.00 0.00 175.52 175.87 2crq h LYS 32 N 0.51 0.45 -0.02 6.66 1.79 -0.90 0.86 116.57 125.92 2crq h LYS 32 Ca 0.15 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 2crq h LYS 32 Cb -0.04 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.51 2crq h LYS 32 CO -0.04 0.30 -0.01 0.77 -1.08 0.00 0.00 179.45 179.39 2crq h SER 33 N 0.47 0.04 -0.45 0.86 0.02 -0.79 -2.73 113.55 110.97 2crq h SER 33 Ca 0.51 -0.42 0.08 0.00 -0.84 0.00 0.00 61.79 61.12 2crq h SER 33 Cb 0.88 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.34 2crq h SER 33 CO -0.47 0.45 0.05 0.11 -1.14 0.00 0.00 176.83 175.83 2crq h LYS 34 N -0.37 0.17 -0.75 3.45 1.57 -0.53 0.11 116.57 120.22 2crq h LYS 34 Ca 0.00 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 2crq h LYS 34 Cb 0.43 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.65 2crq h LYS 34 CO 0.00 0.11 0.43 0.37 -0.57 0.00 0.00 179.45 179.80 2crq h GLN 35 N 0.17 0.75 -0.12 3.15 5.75 -0.89 -2.49 115.11 121.44 2crq h GLN 35 Ca 0.22 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.66 2crq h GLN 35 Cb 0.30 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 28.68 2crq h GLN 35 CO -0.32 0.50 -0.01 0.82 -2.65 0.00 0.00 178.83 177.17 2crq h ILE 36 N 0.78 1.26 -0.92 2.39 2.04 -0.96 -3.03 117.51 119.07 2crq h ILE 36 Ca 0.34 -0.84 0.23 0.00 1.00 0.00 0.00 64.86 65.59 2crq h ILE 36 Cb 0.22 1.59 -0.13 0.00 -0.74 0.00 0.00 36.82 37.76 2crq h ILE 36 CO -0.19 0.24 0.42 -0.61 0.00 0.00 0.00 178.15 178.01 2crq h GLN 37 N -0.07 0.39 -0.31 2.37 4.15 -0.41 0.12 115.11 121.34 2crq h GLN 37 Ca 0.03 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2crq h GLN 37 Cb 0.38 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 2crq h GLN 37 CO 0.01 0.26 0.18 1.96 -1.93 0.00 0.00 178.83 179.31 2crq h GLN 38 N 0.40 0.42 -0.15 1.69 4.20 -1.35 -2.70 115.11 117.62 2crq h GLN 38 Ca 0.59 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 59.27 2crq h GLN 38 Cb 1.14 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 2crq h GLN 38 CO -0.54 0.32 0.04 -1.49 -0.67 0.00 0.00 178.83 176.50 2crq h TRP 39 N 0.39 0.08 -1.00 2.96 6.55 -0.74 -2.32 115.95 121.87 2crq h TRP 39 Ca 0.11 0.01 0.20 0.00 0.95 0.00 0.00 58.89 60.16 2crq h TRP 39 Cb 0.01 -0.01 -0.11 0.00 -0.86 0.00 0.00 29.16 28.19 2crq h TRP 39 CO -0.04 0.04 0.61 0.82 -1.05 0.00 0.00 178.44 178.82 2crq h ILE 40 N 0.11 0.67 -0.86 1.49 1.08 -1.07 0.64 117.51 119.57 2crq h ILE 40 Ca 0.06 -0.24 0.13 0.00 -0.39 0.00 0.00 64.86 64.42 2crq h ILE 40 Cb 0.04 -0.10 -0.09 0.00 -3.07 0.00 0.00 36.82 33.60 2crq h ILE 40 CO -0.07 0.13 0.47 -0.33 -0.69 0.00 0.00 178.15 177.66 2crq h GLU 41 N 0.71 0.68 -0.89 2.37 5.08 -1.09 0.27 114.58 121.71 2crq h GLU 41 Ca 0.59 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.81 2crq h GLU 41 Cb 0.99 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 2crq h GLU 41 CO -0.39 0.45 0.12 1.63 -1.00 0.00 0.00 179.01 179.82 2crq n LYS 42 N -4.81 2.22 -4.00 2.33 5.02 0.17 -4.87 118.16 114.22 2crq n LYS 42 Ca 0.17 -1.36 -0.28 0.00 -2.02 0.00 0.00 58.31 54.81 2crq n LYS 42 Cb 0.39 -1.70 -0.01 0.00 -0.02 0.00 0.00 35.03 33.69 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 0.06 -3.59 -3.69 1.97 4.01 0.95 -4.93 118.16 112.94 2crq n LYS 43 Ca 0.18 0.43 -0.37 0.00 -0.51 0.00 0.00 58.31 58.04 2crq n LYS 43 Cb 0.82 -4.81 -0.11 0.00 -0.51 0.00 0.00 35.03 30.42 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 -3.71 3.20 -0.15 2.13 2.02 -0.91 -5.01 117.35 114.93 2crq s TYR 44 Ca 0.26 -0.03 -0.29 0.00 -0.37 0.00 0.00 57.07 56.64 2crq s TYR 44 Cb -0.14 -2.29 -0.05 0.00 -0.40 0.00 0.00 41.96 39.08 2crq s TYR 44 CO 0.89 -0.15 1.88 -1.01 -1.57 0.00 0.00 175.55 175.59 2crq s HIS 45 N 1.46 1.62 -0.32 2.71 3.76 -1.26 -4.25 115.29 119.02 2crq s HIS 45 Ca 0.06 0.26 -0.10 0.00 -0.15 0.00 0.00 55.06 55.13 2crq s HIS 45 Cb -0.15 -4.04 -0.01 0.00 1.11 0.00 0.00 32.58 29.49 2crq s HIS 45 CO 0.07 -3.99 0.17 0.08 -0.85 0.00 0.00 174.74 170.22 2crq s VAL 46 N 5.82 4.75 -0.67 -0.90 1.01 -1.23 -2.03 120.40 127.15 2crq s VAL 46 Ca 0.84 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 62.26 2crq s VAL 46 Cb -0.32 -3.43 0.13 0.00 0.00 0.00 0.00 36.38 32.76 2crq s VAL 46 CO 0.34 0.05 0.75 -1.58 0.00 0.00 0.00 175.10 174.66 2crq s GLN 47 N 1.64 3.20 -0.08 2.72 0.74 -1.11 -2.48 119.66 124.29 2crq s GLN 47 Ca 0.05 -1.59 -0.22 0.00 0.05 0.00 0.00 55.36 53.65 2crq s GLN 47 Cb -0.17 -4.38 -0.04 0.00 1.10 0.00 0.00 33.01 29.52 2crq s GLN 47 CO 0.07 -1.52 0.64 0.08 -0.55 0.00 0.00 175.29 174.01 2crq s VAL 48 N 2.21 5.08 -0.17 1.34 1.01 0.15 -1.56 120.40 128.46 2crq s VAL 48 Ca 0.15 1.31 -0.02 0.00 0.00 0.00 0.00 61.98 63.42 2crq s VAL 48 Cb -0.20 -3.98 0.05 0.00 0.00 0.00 0.00 36.38 32.25 2crq s VAL 48 CO 0.02 0.26 -0.00 -0.89 0.00 0.00 0.00 175.10 174.49 2crq s THR 49 N 0.80 0.75 0.16 3.92 2.01 0.36 -0.97 115.64 122.67 2crq s THR 49 Ca 0.34 -0.51 -0.28 0.00 0.31 0.00 0.00 61.69 61.55 2crq s THR 49 Cb -0.17 -1.08 -0.07 0.00 0.01 0.00 0.00 72.50 71.18 2crq s THR 49 CO 0.16 -0.02 0.86 -0.63 -0.69 0.00 0.00 174.62 174.30 2crq s ILE 50 N 1.77 4.36 -0.31 1.82 1.01 -0.75 -2.92 121.20 126.18 2crq s ILE 50 Ca 0.00 1.88 -0.01 0.00 0.00 0.00 0.00 60.65 62.52 2crq s ILE 50 Cb -0.16 -4.23 0.06 0.00 0.01 0.00 0.00 42.46 38.14 2crq s ILE 50 CO -0.07 0.45 0.02 -0.54 0.00 0.00 0.00 174.94 174.80 2crq s LYS 51 N -0.78 2.33 0.53 2.79 -0.14 0.15 -2.94 119.74 121.67 2crq s LYS 51 Ca 0.40 -1.36 -0.15 0.00 -1.36 0.00 0.00 55.97 53.50 2crq s LYS 51 Cb -0.24 -3.21 -0.07 0.00 -1.68 0.00 0.00 37.83 32.63 2crq s LYS 51 CO 0.28 -0.68 0.98 1.03 -0.76 0.00 0.00 175.35 176.19 2crq s ARG 52 N 1.21 3.86 0.22 1.68 0.52 -1.20 -2.76 118.95 122.49 2crq s ARG 52 Ca -0.03 0.87 0.07 0.00 -0.52 0.00 0.00 55.73 56.11 2crq s ARG 52 Cb -0.20 -2.15 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 2crq s ARG 52 CO -0.02 -0.31 0.15 -0.98 0.02 0.00 0.00 175.30 174.16 2crq s ARG 53 N -4.28 2.84 0.60 3.54 1.70 -1.26 -4.98 118.95 117.10 2crq s ARG 53 Ca 0.57 -1.02 -0.15 0.00 -0.47 0.00 0.00 55.73 54.66 2crq s ARG 53 Cb -0.10 -2.55 -0.04 0.00 -0.57 0.00 0.00 34.95 31.69 2crq s ARG 53 CO 0.36 0.43 1.05 0.15 -1.08 0.00 0.00 175.30 176.20 2crq s LYS 54 N -3.53 3.37 -1.17 3.89 3.01 -1.26 -3.93 119.74 120.12 2crq s LYS 54 Ca 0.32 1.12 -0.04 0.00 -1.01 0.00 0.00 55.97 56.36 2crq s LYS 54 Cb -0.09 -2.04 0.00 0.00 -1.01 0.00 0.00 37.83 34.70 2crq s LYS 54 CO 0.24 -0.77 1.00 -0.25 0.51 0.00 0.00 175.35 176.08 2crq n ASP 55 N -2.13 -3.85 -4.38 2.83 9.92 -1.26 -5.01 116.55 112.66 2crq n ASP 55 Ca 0.08 -0.54 -0.30 0.00 -0.53 0.00 0.00 54.79 53.50 2crq n ASP 55 Cb 0.53 -4.71 -0.14 0.00 -0.64 0.00 0.00 41.12 36.16 2crq n ASP 55 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2crq s ALA 56 N -3.31 2.37 -0.32 2.24 0.00 -1.25 -5.02 121.76 116.46 2crq s ALA 56 Ca 0.24 -1.25 0.11 0.00 0.00 0.00 0.00 51.96 51.07 2crq s ALA 56 Cb -0.11 -0.57 0.73 0.00 0.00 0.00 0.00 23.12 23.18 2crq s ALA 56 CO 0.67 0.55 1.70 -0.85 0.00 0.00 0.00 175.76 177.82 2crq n GLU 57 N 1.69 4.13 -2.78 0.00 0.00 -1.26 -4.90 120.64 117.51 2crq n GLU 57 Ca -0.17 -2.89 -0.43 0.00 0.00 0.00 0.00 57.16 53.67 2crq n GLU 57 Cb 0.52 -2.19 -0.04 0.00 0.00 0.00 0.00 31.44 29.73 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 -2.72 3.53 1.08 3.44 1.11 -1.26 -5.03 119.66 119.81 2crq s GLN 58 Ca 0.51 0.16 -0.13 0.00 0.01 0.00 0.00 55.36 55.91 2crq s GLN 58 Cb 0.40 -3.94 0.19 0.00 -1.01 0.00 0.00 33.01 28.64 2crq s GLN 58 CO 0.14 -1.30 0.79 0.43 0.01 0.00 0.00 175.29 175.36 2crq n SER 59 N 7.35 -1.38 -0.09 5.90 7.64 -1.26 -4.88 113.62 126.90 2crq n SER 59 Ca 0.06 0.05 -0.02 0.00 1.01 0.00 0.00 58.87 59.97 2crq n SER 59 Cb 0.48 -1.25 0.22 0.00 -1.01 0.00 0.00 64.21 62.65 2crq n SER 59 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2crq h GLU 60 N -2.25 0.74 -0.81 1.43 4.11 -2.00 -2.65 114.58 113.14 2crq h GLU 60 Ca -0.53 -0.16 -0.03 0.00 0.07 0.00 0.00 59.36 58.71 2crq h GLU 60 Cb 1.32 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 2crq h GLU 60 CO 0.43 0.70 0.38 0.93 0.07 0.00 0.00 179.01 181.52 2crq h GLU 61 N 0.71 1.17 -0.46 1.06 4.39 -2.01 -2.11 114.58 117.32 2crq h GLU 61 Ca 0.15 -0.17 0.11 0.00 0.34 0.00 0.00 59.36 59.79 2crq h GLU 61 Cb 0.33 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2crq h GLU 61 CO 0.00 0.90 0.33 0.93 -1.16 0.00 0.00 179.01 180.01 2crq h GLU 62 N 1.16 0.11 -0.04 2.33 4.39 -1.81 0.68 114.58 121.40 2crq h GLU 62 Ca 0.28 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.84 2crq h GLU 62 Cb 0.13 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2crq h GLU 62 CO -0.03 0.07 -0.58 1.15 -1.16 0.00 0.00 179.01 178.46 2crq h THR 63 N 0.11 1.40 0.03 1.13 2.02 -1.40 -3.24 112.91 112.96 2crq h THR 63 Ca 0.22 -1.96 -0.00 0.00 0.77 0.00 0.00 66.41 65.44 2crq h THR 63 Cb 0.72 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 2crq h THR 63 CO -0.02 0.57 -0.02 -0.33 0.37 0.00 0.00 175.52 176.09 2crq h GLU 64 N 0.10 -0.05 -1.13 6.66 3.07 -0.86 -3.26 114.58 119.11 2crq h GLU 64 Ca -0.00 0.00 0.38 0.00 -0.50 0.00 0.00 59.36 59.24 2crq h GLU 64 Cb 1.05 0.01 -0.14 0.00 -0.84 0.00 0.00 28.75 28.83 2crq h GLU 64 CO 0.08 0.61 0.68 0.93 -1.40 0.00 0.00 179.01 179.92 2crq h GLU 65 N -0.79 0.16 -0.21 2.33 4.39 -1.38 -1.30 114.58 117.79 2crq h GLU 65 Ca -0.00 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.71 2crq h GLU 65 Cb 0.68 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.25 2crq h GLU 65 CO 0.01 0.11 -0.26 0.82 -1.16 0.00 0.00 179.01 178.52 2crq h ILE 66 N 0.17 0.00 -0.91 3.13 1.08 -1.60 -0.02 117.51 119.36 2crq h ILE 66 Ca 0.78 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 65.45 2crq h ILE 66 Cb 2.14 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 35.72 2crq h ILE 66 CO -0.54 0.00 -0.13 -0.26 -0.69 0.00 0.00 178.15 176.52 2crq h PHE 67 N -0.18 -0.32 -0.05 1.37 0.04 -1.41 0.19 116.94 116.59 2crq h PHE 67 Ca 0.04 0.08 0.03 0.00 2.80 0.00 0.00 57.97 60.91 2crq h PHE 67 Cb 0.27 0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.68 2crq h PHE 67 CO -0.68 -0.38 -0.12 -0.91 -0.60 0.00 0.00 178.31 175.62 2crq h ASN 68 N 0.02 -0.36 -1.11 2.17 2.35 -1.20 -1.22 115.58 116.24 2crq h ASN 68 Ca 0.47 0.06 0.30 0.00 -0.55 0.00 0.00 56.30 56.59 2crq h ASN 68 Cb 0.80 0.16 -0.09 0.00 0.05 0.00 0.00 38.32 39.24 2crq h ASN 68 CO -0.89 -0.17 0.73 1.56 -1.65 0.00 0.00 177.43 177.01 2crq h GLN 69 N -0.18 0.28 0.03 0.81 4.20 0.12 0.26 115.11 120.63 2crq h GLN 69 Ca 0.06 -0.02 -0.26 0.00 0.06 0.00 0.00 58.65 58.49 2crq h GLN 69 Cb 0.26 -0.06 0.02 0.00 0.30 0.00 0.00 27.48 28.00 2crq h GLN 69 CO -0.16 0.18 -1.05 0.82 -0.67 0.00 0.00 178.83 177.96 2crq h ILE 70 N 0.28 1.30 0.00 2.54 2.04 -0.80 -3.12 117.51 119.75 2crq h ILE 70 Ca 0.63 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 64.20 2crq h ILE 70 Cb 1.79 2.50 0.00 0.00 -0.74 0.00 0.00 36.82 40.37 2crq h ILE 70 CO -0.27 0.70 0.00 -0.11 0.00 0.00 0.00 178.15 178.47 2crq n LEU 71 N -3.88 0.26 0.00 1.44 7.94 0.78 -1.81 117.00 121.73 2crq n LEU 71 Ca -0.12 0.58 0.09 0.00 -1.11 0.00 0.00 56.01 55.45 2crq n LEU 71 Cb 0.89 -0.57 0.44 0.00 0.53 0.00 0.00 43.42 44.71 2crq n LEU 71 CO 0.56 -0.48 0.79 0.00 -1.11 0.00 0.00 177.39 177.14 2crq n GLN 72 N -1.81 0.13 -0.01 1.96 1.13 -0.43 -1.24 117.38 117.12 2crq n GLN 72 Ca 0.02 0.15 0.08 0.00 -1.94 0.00 0.00 57.00 55.30 2crq n GLN 72 Cb 0.13 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 28.85 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 -1.40 0.04 -2.59 5.09 -2.24 -0.75 -4.58 114.28 107.86 2crq n THR 73 Ca 0.07 -0.40 -0.11 0.00 -2.27 0.00 0.00 64.05 61.34 2crq n THR 73 Cb 0.19 0.09 0.03 0.00 -2.10 0.00 0.00 70.33 68.53 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 -2.11 2.15 0.00 -0.78 -0.00 -1.03 -4.86 117.12 110.49 2crq n MET 74 Ca -0.04 -3.70 0.07 0.00 -0.00 0.00 0.00 57.70 54.03 2crq n MET 74 Cb 0.46 -1.72 0.33 0.00 -0.00 0.00 0.00 33.22 32.30 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 -0.45 0.10 0.00 3.17 -0.04 -0.37 0.92 135.00 138.32 2crq n PRO 75 Ca 0.19 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 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 -1.40 0.00 -0.00 3.54 5.75 -1.26 -4.72 116.55 118.46 2crq n ASP 76 Ca 0.05 -0.40 0.03 0.00 -0.01 0.00 0.00 54.79 54.46 2crq n ASP 76 Cb 0.14 0.79 -0.04 0.00 -1.03 0.00 0.00 41.12 40.98 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 -0.79 0.00 -4.16 2.12 3.06 -1.06 -4.82 119.36 113.70 2crq n ILE 77 Ca 0.00 -0.18 -0.15 0.00 -2.50 0.00 0.00 62.75 59.92 2crq n ILE 77 Cb 0.00 0.49 -0.11 0.00 0.54 0.00 0.00 39.64 40.56 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 -2.24 1.07 -0.01 1.51 0.00 0.26 -4.06 121.76 118.28 2crq s ALA 78 Ca -0.01 -1.10 -0.08 0.00 0.00 0.00 0.00 51.96 50.77 2crq s ALA 78 Cb 0.04 0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.17 2crq s ALA 78 CO 0.24 0.01 0.16 -0.08 0.00 0.00 0.00 175.76 176.09 2crq s THR 79 N -2.07 0.06 -0.35 0.00 -1.32 0.21 -4.40 115.64 107.77 2crq s THR 79 Ca 0.02 -0.53 -0.27 0.00 -1.21 0.00 0.00 61.69 59.70 2crq s THR 79 Cb -0.05 -0.41 -0.05 0.00 -1.51 0.00 0.00 72.50 70.47 2crq s THR 79 CO 0.01 -0.29 2.23 -0.36 -2.21 0.00 0.00 174.62 174.00 2crq s PHE 80 N -1.07 1.22 -0.02 9.09 0.40 -1.26 -1.55 117.98 124.79 2crq s PHE 80 Ca -0.12 0.95 0.01 0.00 -0.60 0.00 0.00 56.93 57.18 2crq s PHE 80 Cb -0.06 -3.82 -0.26 0.00 0.51 0.00 0.00 43.02 39.39 2crq s PHE 80 CO 0.01 -3.30 0.77 0.66 0.70 0.00 0.00 175.22 174.07 2crq h SER 81 N 16.57 0.26 -3.08 1.36 4.64 -1.52 -3.45 113.55 128.34 2crq h SER 81 Ca -0.33 -0.42 -0.49 0.00 -0.47 0.00 0.00 61.79 60.08 2crq h SER 81 Cb 1.24 -0.09 -0.41 0.00 -0.31 0.00 0.00 62.40 62.84 2crq h SER 81 CO 1.06 1.36 -0.76 -0.94 -0.87 0.00 0.00 176.83 176.68 2crq s SER 82 N -6.74 2.75 0.18 4.97 1.04 -1.15 -4.92 113.70 109.82 2crq s SER 82 Ca -0.09 -0.81 -0.33 0.00 0.48 0.00 0.00 55.95 55.20 2crq s SER 82 Cb 0.07 -0.38 -0.16 0.00 0.10 0.00 0.00 66.02 65.65 2crq s SER 82 CO 0.83 -0.35 1.17 0.54 0.98 0.00 0.00 173.24 176.40 2crq n ARG 83 N 5.19 1.20 -2.13 4.02 5.12 -1.26 -2.98 116.66 125.83 2crq n ARG 83 Ca -0.07 0.43 -0.43 0.00 -1.93 0.00 0.00 57.85 55.85 2crq n ARG 83 Cb 0.47 -1.93 -0.03 0.00 -1.16 0.00 0.00 32.46 29.82 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 -0.43 3.94 0.30 5.56 0.04 -1.26 -4.76 135.00 138.40 2crq s PRO 84 Ca 0.72 1.78 0.10 0.00 0.04 0.00 0.00 61.00 63.64 2crq s PRO 84 Cb -0.84 -3.99 -0.06 0.00 0.04 0.00 0.00 34.50 29.65 2crq s PRO 84 CO 0.52 -1.12 -0.13 -1.59 0.04 0.00 0.00 177.00 174.72 2crq s LYS 85 N 4.38 1.70 -0.33 4.56 0.00 -1.23 -4.90 119.74 123.92 2crq s LYS 85 Ca 0.70 -1.83 -0.29 0.00 0.00 0.00 0.00 55.97 54.55 2crq s LYS 85 Cb -0.26 -1.62 -0.00 0.00 0.00 0.00 0.00 37.83 35.94 2crq s LYS 85 CO 0.27 0.20 1.48 0.00 0.00 0.00 0.00 175.35 177.31 2crq s ALA 86 N -2.65 3.16 0.30 0.59 0.00 -1.26 -2.91 121.76 119.00 2crq s ALA 86 Ca 0.30 0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.45 2crq s ALA 86 Cb -0.00 -3.88 -0.03 0.00 0.00 0.00 0.00 23.12 19.20 2crq s ALA 86 CO 0.15 -2.15 0.27 0.96 0.00 0.00 0.00 175.76 174.99 2crq s ILE 87 N 5.28 3.98 -1.28 0.00 -4.36 0.88 -4.39 121.20 121.30 2crq s ILE 87 Ca 0.65 -1.34 -0.02 0.00 -0.26 0.00 0.00 60.65 59.68 2crq s ILE 87 Cb -0.18 -3.31 -0.00 0.00 1.25 0.00 0.00 42.46 40.22 2crq s ILE 87 CO 0.29 -0.25 0.71 0.54 0.24 0.00 0.00 174.94 176.48 2crq n ARG 88 N -1.32 -4.49 0.00 0.37 1.74 -1.26 -0.96 116.66 110.74 2crq n ARG 88 Ca -0.04 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 2crq n ARG 88 Cb 0.59 -5.12 0.00 0.00 -1.02 0.00 0.00 32.46 26.91 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 2.71 0.00 -0.13 0.00 -1.26 -3.24 105.19 101.70 2crq n GLY 89 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.59 0.75 0.05 -0.02 0.00 -0.13 -5.01 105.19 100.24 2crq n GLY 90 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2crq n GLY 90 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2crq n THR 91 N 0.00 0.34 -3.91 2.61 5.66 -1.11 -4.82 114.28 113.05 2crq n THR 91 Ca 0.00 -0.10 -0.09 0.00 -3.05 0.00 0.00 64.05 60.82 2crq n THR 91 Cb 0.00 -0.59 -0.02 0.00 -1.55 0.00 0.00 70.33 68.16 2crq n THR 91 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2crq s ALA 92 N -3.06 -0.69 0.20 1.79 0.00 -1.19 -3.21 121.76 115.60 2crq s ALA 92 Ca 0.12 -0.65 0.09 0.00 0.00 0.00 0.00 51.96 51.52 2crq s ALA 92 Cb 0.15 0.91 -0.05 0.00 0.00 0.00 0.00 23.12 24.14 2crq s ALA 92 CO 0.54 -0.96 -0.17 -1.54 0.00 0.00 0.00 175.76 173.63 2crq s SER 93 N -3.00 2.84 -0.04 0.00 1.04 -1.15 -0.08 113.70 113.31 2crq s SER 93 Ca 0.17 -0.96 -0.01 0.00 0.48 0.00 0.00 55.95 55.63 2crq s SER 93 Cb -0.04 -0.18 0.03 0.00 0.10 0.00 0.00 66.02 65.93 2crq s SER 93 CO 0.09 -0.07 0.04 -0.32 0.98 0.00 0.00 173.24 173.96 2crq s MET 94 N -3.28 0.08 0.06 4.02 0.00 -1.14 -1.82 119.30 117.22 2crq s MET 94 Ca 0.21 0.25 0.00 0.00 0.00 0.00 0.00 55.69 56.16 2crq s MET 94 Cb -0.04 -0.50 -0.04 0.00 0.00 0.00 0.00 34.83 34.25 2crq s MET 94 CO 0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 175.02 174.80 2crq s VAL 96 N -3.35 1.95 -0.14 0.00 1.01 -1.16 -0.68 120.40 118.03 2crq s VAL 96 Ca 0.04 -1.47 0.02 0.00 0.00 0.00 0.00 61.98 60.58 2crq s VAL 96 Cb 0.04 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.72 2crq s VAL 96 CO -0.07 0.16 -0.20 -0.36 0.00 0.00 0.00 175.10 174.63 2crq s PHE 97 N -0.95 2.47 0.29 5.22 0.40 -1.03 -1.26 117.98 123.12 2crq s PHE 97 Ca 0.10 -1.26 0.09 0.00 -0.60 0.00 0.00 56.93 55.26 2crq s PHE 97 Cb -0.10 -1.71 -0.06 0.00 0.51 0.00 0.00 43.02 41.66 2crq s PHE 97 CO 0.03 -0.60 -0.12 -0.98 0.70 0.00 0.00 175.22 174.26 2crq s ARG 98 N 0.93 1.65 0.06 0.44 1.70 -0.59 -3.56 118.95 119.56 2crq s ARG 98 Ca -0.05 -1.81 -0.13 0.00 -0.47 0.00 0.00 55.73 53.26 2crq s ARG 98 Cb -0.15 -1.49 -0.06 0.00 -0.57 0.00 0.00 34.95 32.68 2crq s ARG 98 CO -0.03 0.16 0.44 -1.58 -1.08 0.00 0.00 175.30 173.21 2crq s HIS 99 N -2.74 3.66 0.18 5.89 5.65 -1.26 0.65 115.29 127.32 2crq s HIS 99 Ca 0.30 0.95 -0.33 0.00 0.25 0.00 0.00 55.06 56.23 2crq s HIS 99 Cb 0.01 -2.27 -0.13 0.00 -1.18 0.00 0.00 32.58 29.00 2crq s HIS 99 CO 0.14 0.56 1.62 1.28 -0.65 0.00 0.00 174.74 177.69 2crq n LEU 100 N 1.33 3.41 0.00 8.88 4.77 -1.26 -4.87 117.00 129.25 2crq n LEU 100 Ca -0.10 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 2crq n LEU 100 Cb 0.52 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 2crq n LEU 100 CO 0.40 -0.13 -0.45 -1.20 -1.33 0.00 0.00 177.39 174.68 2crq n SER 101 N 3.57 2.11 -3.49 -1.43 7.64 -1.26 -4.59 113.62 116.17 2crq n SER 101 Ca 0.16 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.80 2crq n SER 101 Cb 0.31 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.73 2crq n SER 101 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2crq n LYS 102 N -2.62 -3.51 -0.27 1.43 5.02 -1.26 -4.43 118.16 112.52 2crq n LYS 102 Ca 0.00 -1.04 0.22 0.00 -2.02 0.00 0.00 58.31 55.47 2crq n LYS 102 Cb 0.45 -1.72 0.41 0.00 -0.02 0.00 0.00 35.03 34.14 2crq n LYS 102 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2crq n LYS 103 N -3.83 -0.05 -0.30 1.97 4.76 -1.26 0.05 118.16 119.49 2crq n LYS 103 Ca 0.09 1.15 0.04 0.00 -2.87 0.00 0.00 58.31 56.72 2crq n LYS 103 Cb 0.48 -1.99 0.10 0.00 -1.84 0.00 0.00 35.03 31.77 2crq n LYS 103 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2crq n GLU 104 N -4.93 -0.10 -1.63 1.97 -0.58 -1.26 -4.41 120.64 109.70 2crq n GLU 104 Ca 0.27 1.26 -0.44 0.00 -0.42 0.00 0.00 57.16 57.84 2crq n GLU 104 Cb 0.92 -1.88 -0.01 0.00 -0.57 0.00 0.00 31.44 29.90 2crq n GLU 104 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2crq n GLU 105 N -5.29 1.67 -1.49 3.49 2.13 0.11 -4.79 120.64 116.46 2crq n GLU 105 Ca 0.12 0.58 -0.54 0.00 0.66 0.00 0.00 57.16 57.98 2crq n GLU 105 Cb 0.39 -2.04 -0.06 0.00 0.27 0.00 0.00 31.44 30.00 2crq n GLU 105 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2crq n LYS 106 N 0.65 0.22 -2.24 5.31 4.81 -1.26 -4.85 118.16 120.81 2crq n LYS 106 Ca 0.08 0.08 -0.41 0.00 -0.87 0.00 0.00 58.31 57.18 2crq n LYS 106 Cb 0.34 -1.45 -0.03 0.00 0.02 0.00 0.00 35.03 33.91 2crq n LYS 106 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2crq s SER 107 N -0.25 6.93 0.00 3.14 0.01 -1.26 -4.63 113.70 117.63 2crq s SER 107 Ca 0.81 2.43 0.00 0.00 1.31 0.00 0.00 55.95 60.50 2crq s SER 107 Cb -1.10 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 62.51 2crq s SER 107 CO 0.56 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 174.34 2crq n GLY 108 N 1.92 -0.83 3.55 3.44 0.00 -1.26 -5.07 105.19 106.95 2crq n GLY 108 Ca 0.04 0.31 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 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 2.59 0.35 1.61 0.04 -1.26 -4.95 135.00 133.38 2crq s PRO 109 Ca 0.00 0.22 0.09 0.00 0.04 0.00 0.00 61.00 61.36 2crq s PRO 109 Cb 0.00 -4.68 -0.07 0.00 0.04 0.00 0.00 34.50 29.80 2crq s PRO 109 CO 0.00 -3.01 -0.07 0.45 0.04 0.00 0.00 177.00 174.41 2crq s SER 110 N 8.08 3.79 -1.34 6.66 0.15 -1.26 -4.75 113.70 125.03 2crq s SER 110 Ca 0.68 -1.20 -0.06 0.00 0.70 0.00 0.00 55.95 56.08 2crq s SER 110 Cb -0.10 -0.37 0.02 0.00 -1.71 0.00 0.00 66.02 63.86 2crq s SER 110 CO 0.11 -0.23 1.04 -0.24 1.20 0.00 0.00 173.24 175.12 2crq n SER 111 N -0.83 -4.19 0.00 5.45 2.88 -1.26 -5.30 113.62 110.37 2crq n SER 111 Ca -0.05 -0.64 0.00 0.00 -1.33 0.00 0.00 58.87 56.85 2crq n SER 111 Cb 0.64 -4.75 0.00 0.00 -0.75 0.00 0.00 64.21 59.35 2crq n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42