#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 0.95 -0.19 1.61 1.04 -1.26 -5.18 113.70 110.68 2crq s SER 2 Ca 0.00 -1.55 -0.22 0.00 0.48 0.00 0.00 55.95 54.66 2crq s SER 2 Cb 0.00 0.52 0.06 0.00 0.10 0.00 0.00 66.02 66.70 2crq s SER 2 CO 0.00 -1.03 0.60 -0.94 0.98 0.00 0.00 173.24 172.85 2crq s SER 3 N -3.26 -0.61 0.00 7.02 1.04 -1.26 -5.18 113.70 111.45 2crq s SER 3 Ca 0.38 1.08 0.00 0.00 0.48 0.00 0.00 55.95 57.88 2crq s SER 3 Cb 0.03 1.08 0.00 0.00 0.10 0.00 0.00 66.02 67.23 2crq s SER 3 CO 0.20 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2crq n GLY 4 N 2.38 3.35 3.85 7.32 0.00 -1.26 -5.18 105.19 115.64 2crq n GLY 4 Ca -0.15 -1.23 -0.23 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.11 4.76 -0.25 1.61 0.01 -1.26 -5.15 113.70 113.31 2crq s SER 5 Ca 0.00 -0.99 -0.26 0.00 1.31 0.00 0.00 55.95 56.02 2crq s SER 5 Cb 0.00 -0.24 0.08 0.00 0.21 0.00 0.00 66.02 66.07 2crq s SER 5 CO 0.00 -0.77 0.80 -0.44 0.41 0.00 0.00 173.24 173.24 2crq s SER 6 N -4.12 -0.66 0.00 2.44 0.01 -1.26 -5.12 113.70 104.99 2crq s SER 6 Ca 0.42 1.20 0.00 0.00 1.31 0.00 0.00 55.95 58.88 2crq s SER 6 Cb -0.01 1.19 0.00 0.00 0.21 0.00 0.00 66.02 67.41 2crq s SER 6 CO 0.25 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2crq n GLY 7 N 2.32 -1.84 3.58 3.44 0.00 -1.26 -5.18 105.19 106.25 2crq n GLY 7 Ca -0.14 0.94 -0.30 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.55 -0.03 1.61 0.04 -1.26 -5.10 135.00 128.71 2crq s PRO 8 Ca 0.00 -0.18 -0.27 0.00 0.04 0.00 0.00 61.00 60.58 2crq s PRO 8 Cb 0.00 -1.57 0.06 0.00 0.04 0.00 0.00 34.50 33.03 2crq s PRO 8 CO 0.00 -3.91 0.61 0.21 0.04 0.00 0.00 177.00 173.95 2crq s LYS 9 N -5.50 1.00 -0.36 4.56 2.47 -1.26 -5.12 119.74 115.53 2crq s LYS 9 Ca 0.72 0.13 -0.29 0.00 -1.56 0.00 0.00 55.97 54.97 2crq s LYS 9 Cb -0.08 0.47 0.01 0.00 -1.46 0.00 0.00 37.83 36.77 2crq s LYS 9 CO 0.56 -0.32 1.30 0.95 0.16 0.00 0.00 175.35 177.99 2crq s THR 10 N -1.39 4.10 0.00 3.43 -4.23 -1.26 -4.97 115.64 111.33 2crq s THR 10 Ca -0.11 1.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.60 2crq s THR 10 Cb -0.01 -4.25 0.00 0.00 1.34 0.00 0.00 72.50 69.58 2crq s THR 10 CO 0.07 -0.64 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 2crq n GLY 11 N 4.59 1.36 3.66 3.99 0.00 -1.26 -5.10 105.19 112.42 2crq n GLY 11 Ca 0.15 -2.01 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.52 0.07 -0.84 1.61 0.04 -1.26 -4.81 135.00 129.30 2crq s PRO 12 Ca 0.00 0.40 -0.22 0.00 0.04 0.00 0.00 61.00 61.22 2crq s PRO 12 Cb 0.00 -1.71 -0.18 0.00 0.04 0.00 0.00 34.50 32.65 2crq s PRO 12 CO 0.00 -2.95 2.29 2.41 0.04 0.00 0.00 177.00 178.80 2crq n THR 13 N -4.31 0.00 -5.25 1.26 -1.04 -1.26 -4.87 114.28 98.81 2crq n THR 13 Ca 0.06 -0.44 -0.31 0.00 -2.04 0.00 0.00 64.05 61.31 2crq n THR 13 Cb 0.58 -1.57 -0.17 0.00 -1.82 0.00 0.00 70.33 67.35 2crq n THR 13 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 2crq s MET 14 N 8.42 2.61 -0.00 -2.82 -1.94 -1.26 -5.13 119.30 119.18 2crq s MET 14 Ca 0.96 -0.89 0.01 0.00 -1.71 0.00 0.00 55.69 54.06 2crq s MET 14 Cb -0.25 -2.17 -0.00 0.00 2.01 0.00 0.00 34.83 34.42 2crq s MET 14 CO 0.18 0.34 -0.04 0.99 -0.01 0.00 0.00 175.02 176.48 2crq s THR 15 N -0.08 0.35 0.22 2.05 2.01 -1.26 -4.45 115.64 114.48 2crq s THR 15 Ca -0.06 -0.20 0.08 0.00 0.31 0.00 0.00 61.69 61.82 2crq s THR 15 Cb -0.14 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 2crq s THR 15 CO 0.05 0.09 0.00 -0.54 -0.69 0.00 0.00 174.62 173.53 2crq s LYS 16 N -0.12 2.36 -0.01 4.92 -0.14 -1.02 -5.03 119.74 120.69 2crq s LYS 16 Ca 0.02 -1.25 0.00 0.00 -1.36 0.00 0.00 55.97 53.38 2crq s LYS 16 Cb -0.02 -2.27 0.01 0.00 -1.68 0.00 0.00 37.83 33.88 2crq s LYS 16 CO -0.00 0.41 -0.01 -1.21 -0.76 0.00 0.00 175.35 173.78 2crq s GLU 17 N -3.30 0.18 0.01 1.68 8.01 -1.26 -1.79 118.70 122.23 2crq s GLU 17 Ca 0.29 0.02 0.07 0.00 0.01 0.00 0.00 54.97 55.36 2crq s GLU 17 Cb -0.08 -0.28 -0.02 0.00 -4.31 0.00 0.00 34.13 29.44 2crq s GLU 17 CO 0.19 -0.05 -0.22 -1.17 0.01 0.00 0.00 175.26 174.02 2crq s LEU 18 N 0.49 2.10 -0.03 1.80 2.96 0.40 -4.93 118.68 121.47 2crq s LEU 18 Ca -0.04 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.38 2crq s LEU 18 Cb -0.07 -1.08 0.01 0.00 0.50 0.00 0.00 46.19 45.55 2crq s LEU 18 CO -0.01 0.23 0.08 -0.69 -1.32 0.00 0.00 176.35 174.64 2crq s VAL 19 N -0.65 -0.01 -0.29 1.68 1.01 -1.26 -0.68 120.40 120.20 2crq s VAL 19 Ca 0.08 0.02 -0.24 0.00 0.00 0.00 0.00 61.98 61.84 2crq s VAL 19 Cb -0.09 -0.12 0.15 0.00 0.00 0.00 0.00 36.38 36.32 2crq s VAL 19 CO 0.00 0.01 1.18 0.72 0.00 0.00 0.00 175.10 177.02 2crq s PHE 20 N 0.15 -0.32 0.79 5.22 -0.12 -0.96 -4.99 117.98 117.76 2crq s PHE 20 Ca -0.01 0.76 -0.13 0.00 -0.05 0.00 0.00 56.93 57.50 2crq s PHE 20 Cb -0.02 0.39 0.08 0.00 -0.63 0.00 0.00 43.02 42.84 2crq s PHE 20 CO -0.00 -0.15 1.17 -1.12 -0.05 0.00 0.00 175.22 175.06 2crq s SER 21 N 0.27 3.84 0.00 1.98 0.01 -1.26 -3.46 113.70 115.08 2crq s SER 21 Ca 0.03 2.22 0.18 0.00 1.31 0.00 0.00 55.95 59.69 2crq s SER 21 Cb -0.05 -2.57 0.96 0.00 0.21 0.00 0.00 66.02 64.57 2crq s SER 21 CO -0.10 -2.50 1.49 -0.24 0.41 0.00 0.00 173.24 172.30 2crq n SER 22 N -3.32 0.00 -2.19 2.44 2.88 -1.05 -2.82 113.62 109.55 2crq n SER 22 Ca 0.12 -0.25 -0.28 0.00 -1.33 0.00 0.00 58.87 57.13 2crq n SER 22 Cb 0.51 -0.15 0.12 0.00 -0.75 0.00 0.00 64.21 63.95 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 -1.15 5.71 -4.73 -3.46 4.05 -1.26 -4.98 115.26 109.43 2crq n ASN 23 Ca 0.11 -3.72 -0.41 0.00 0.45 0.00 0.00 54.58 51.01 2crq n ASN 23 Cb 0.10 -0.87 -0.05 0.00 1.23 0.00 0.00 39.78 40.20 2crq n ASN 23 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 2crq s ILE 24 N -4.13 4.65 0.97 -1.44 2.07 -1.13 -5.03 121.20 117.15 2crq s ILE 24 Ca 0.60 1.87 -0.11 0.00 -1.41 0.00 0.00 60.65 61.60 2crq s ILE 24 Cb 0.49 -4.23 0.17 0.00 0.13 0.00 0.00 42.46 39.02 2crq s ILE 24 CO 0.04 0.32 1.12 -0.83 -1.91 0.00 0.00 174.94 173.67 2crq s GLY 25 N 0.10 1.65 0.26 1.50 0.00 -1.26 -4.71 107.32 104.87 2crq s GLY 25 Ca 0.44 0.41 0.03 0.00 0.00 0.00 0.00 44.72 45.59 2crq s GLY 25 CO 0.26 0.89 1.66 -1.61 0.00 0.00 0.00 173.10 174.31 2crq h GLN 26 N -2.02 0.41 -0.06 2.90 5.75 -1.98 0.85 115.11 120.95 2crq h GLN 26 Ca -0.47 -0.19 -0.13 0.00 -0.15 0.00 0.00 58.65 57.70 2crq h GLN 26 Cb 1.28 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.81 2crq h GLN 26 CO 0.44 0.73 -0.56 0.45 -2.65 0.00 0.00 178.83 177.24 2crq h HIS 27 N 0.35 0.25 0.00 3.99 3.86 -2.01 -2.47 115.15 119.11 2crq h HIS 27 Ca 0.04 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.12 2crq h HIS 27 Cb 0.82 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.24 2crq h HIS 27 CO 0.02 0.71 -0.19 0.22 0.86 0.00 0.00 177.93 179.56 2crq h ASP 28 N 0.15 0.01 -0.76 2.45 3.58 -1.87 -3.35 116.42 116.62 2crq h ASP 28 Ca -0.00 -0.93 0.12 0.00 0.42 0.00 0.00 57.03 56.63 2crq h ASP 28 Cb 1.04 -0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.01 2crq h ASP 28 CO 0.08 1.08 0.37 0.25 -2.88 0.00 0.00 179.24 178.15 2crq h LEU 29 N -0.99 0.46 -0.50 2.28 5.85 -0.90 -2.54 115.31 118.97 2crq h LEU 29 Ca -0.05 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.80 2crq h LEU 29 Cb 1.05 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.00 2crq h LEU 29 CO -0.03 0.23 -0.54 -0.78 -0.34 0.00 0.00 178.44 176.98 2crq h ASP 30 N 0.59 -1.86 -0.39 1.25 1.82 -1.57 -0.96 116.42 115.31 2crq h ASP 30 Ca 0.39 0.25 0.08 0.00 -0.39 0.00 0.00 57.03 57.36 2crq h ASP 30 Cb 0.49 0.77 -0.07 0.00 0.68 0.00 0.00 39.33 41.20 2crq h ASP 30 CO -0.32 -0.36 -0.08 0.74 -1.61 0.00 0.00 179.24 177.61 2crq h THR 31 N -0.32 0.62 -0.90 2.25 2.02 -1.59 -1.40 112.91 113.60 2crq h THR 31 Ca 0.09 -0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.50 2crq h THR 31 Cb 0.54 0.61 -0.15 0.00 -1.74 0.00 0.00 68.15 67.40 2crq h THR 31 CO -0.64 0.00 0.13 0.11 0.37 0.00 0.00 175.52 175.50 2crq h LYS 32 N 0.01 0.11 0.04 6.66 1.79 -0.95 0.14 116.57 124.38 2crq h LYS 32 Ca 0.19 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.65 2crq h LYS 32 Cb 0.29 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2crq h LYS 32 CO -0.39 0.07 -0.02 0.77 -1.08 0.00 0.00 179.45 178.80 2crq h SER 33 N 0.11 -0.05 -0.56 0.86 0.02 -0.62 -2.37 113.55 110.95 2crq h SER 33 Ca 0.55 -0.11 0.11 0.00 -0.84 0.00 0.00 61.79 61.50 2crq h SER 33 Cb 1.12 0.01 -0.09 0.00 0.14 0.00 0.00 62.40 63.59 2crq h SER 33 CO -0.75 0.08 0.04 0.11 -1.14 0.00 0.00 176.83 175.17 2crq h LYS 34 N -0.18 0.16 -0.01 3.45 1.57 -0.46 -0.65 116.57 120.44 2crq h LYS 34 Ca -0.01 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2crq h LYS 34 Cb 0.16 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 2crq h LYS 34 CO 0.01 0.11 -0.11 0.37 -0.57 0.00 0.00 179.45 179.25 2crq h GLN 35 N 0.16 -0.18 -0.49 3.15 5.75 -1.05 -2.19 115.11 120.26 2crq h GLN 35 Ca 0.29 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.88 2crq h GLN 35 Cb 0.45 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.98 2crq h GLN 35 CO -0.44 -0.12 0.13 0.82 -2.65 0.00 0.00 178.83 176.57 2crq h ILE 36 N -0.19 0.77 -0.20 2.39 2.04 -0.80 -2.30 117.51 119.21 2crq h ILE 36 Ca 0.04 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 65.86 2crq h ILE 36 Cb 0.25 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 2crq h ILE 36 CO -0.12 0.05 -0.19 -0.61 0.00 0.00 0.00 178.15 177.28 2crq h GLN 37 N 0.29 -0.20 -1.00 2.37 4.15 -0.78 -0.00 115.11 119.95 2crq h GLN 37 Ca 0.24 0.01 0.17 0.00 0.77 0.00 0.00 58.65 59.85 2crq h GLN 37 Cb 0.30 0.04 -0.10 0.00 0.21 0.00 0.00 27.48 27.93 2crq h GLN 37 CO -0.28 -0.13 0.62 1.96 -1.93 0.00 0.00 178.83 179.06 2crq h GLN 38 N -0.20 0.77 0.30 1.69 4.20 -0.87 -1.71 115.11 119.29 2crq h GLN 38 Ca 0.12 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2crq h GLN 38 Cb 0.39 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2crq h GLN 38 CO -0.32 0.51 -0.14 -1.49 -0.67 0.00 0.00 178.83 176.71 2crq h TRP 39 N 0.80 -0.37 -0.91 2.96 6.55 -0.77 -3.18 115.95 121.02 2crq h TRP 39 Ca 0.55 -0.01 0.24 0.00 0.95 0.00 0.00 58.89 60.63 2crq h TRP 39 Cb 0.82 0.12 -0.13 0.00 -0.86 0.00 0.00 29.16 29.11 2crq h TRP 39 CO -0.00 -0.03 0.38 0.82 -1.05 0.00 0.00 178.44 178.56 2crq h ILE 40 N -0.80 0.40 -0.91 1.49 1.08 -0.44 0.47 117.51 118.80 2crq h ILE 40 Ca -0.04 -0.12 0.24 0.00 -0.39 0.00 0.00 64.86 64.55 2crq h ILE 40 Cb 0.51 0.03 -0.17 0.00 -3.07 0.00 0.00 36.82 34.13 2crq h ILE 40 CO 0.07 0.06 0.03 -0.33 -0.69 0.00 0.00 178.15 177.29 2crq h GLU 41 N 0.34 0.05 -1.28 2.37 5.08 -1.31 1.18 114.58 121.02 2crq h GLU 41 Ca 0.59 -0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.68 2crq h GLU 41 Cb 1.19 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.29 2crq h GLU 41 CO -0.58 0.04 0.34 1.63 -1.00 0.00 0.00 179.01 179.44 2crq n LYS 42 N -5.43 1.64 -4.21 2.33 5.02 0.14 -4.84 118.16 112.82 2crq n LYS 42 Ca 0.20 -1.38 -0.32 0.00 -2.02 0.00 0.00 58.31 54.79 2crq n LYS 42 Cb 0.66 -1.54 -0.06 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 0.10 -2.13 -3.54 1.97 4.76 0.41 -4.86 118.16 114.86 2crq n LYS 43 Ca 0.27 0.26 -0.36 0.00 -2.87 0.00 0.00 58.31 55.60 2crq n LYS 43 Cb 0.80 -4.35 -0.07 0.00 -1.84 0.00 0.00 35.03 29.56 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 -3.87 3.45 -0.59 2.13 2.02 -1.13 -5.00 117.35 114.35 2crq s TYR 44 Ca 0.27 0.57 -0.27 0.00 -0.37 0.00 0.00 57.07 57.26 2crq s TYR 44 Cb -0.15 -2.34 0.01 0.00 -0.40 0.00 0.00 41.96 39.08 2crq s TYR 44 CO 0.95 0.22 1.51 -1.01 -1.57 0.00 0.00 175.55 175.65 2crq s HIS 45 N 0.55 2.12 -0.41 2.71 3.76 -1.26 -4.22 115.29 118.53 2crq s HIS 45 Ca 0.16 0.47 -0.18 0.00 -0.15 0.00 0.00 55.06 55.36 2crq s HIS 45 Cb -0.13 -4.35 0.02 0.00 1.11 0.00 0.00 32.58 29.23 2crq s HIS 45 CO 0.04 -2.12 0.46 0.08 -0.85 0.00 0.00 174.74 172.35 2crq s VAL 46 N 6.71 5.06 -0.47 -0.90 1.01 -1.25 -2.44 120.40 128.12 2crq s VAL 46 Ca 0.54 -0.23 -0.19 0.00 0.00 0.00 0.00 61.98 62.10 2crq s VAL 46 Cb -0.11 -4.04 0.04 0.00 0.00 0.00 0.00 36.38 32.27 2crq s VAL 46 CO 0.23 -0.41 0.61 -1.58 0.00 0.00 0.00 175.10 173.95 2crq s GLN 47 N 2.22 3.16 0.02 2.72 0.74 -0.74 -2.21 119.66 125.58 2crq s GLN 47 Ca 0.14 -0.72 -0.12 0.00 0.05 0.00 0.00 55.36 54.71 2crq s GLN 47 Cb -0.17 -4.04 -0.06 0.00 1.10 0.00 0.00 33.01 29.85 2crq s GLN 47 CO 0.14 -1.11 0.38 0.08 -0.55 0.00 0.00 175.29 174.23 2crq s VAL 48 N 2.63 5.09 -0.04 1.34 1.01 0.10 -0.45 120.40 130.08 2crq s VAL 48 Ca 0.17 0.65 -0.02 0.00 0.00 0.00 0.00 61.98 62.78 2crq s VAL 48 Cb -0.17 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.57 2crq s VAL 48 CO 0.14 0.49 0.06 -0.89 0.00 0.00 0.00 175.10 174.89 2crq s THR 49 N -1.18 -0.10 0.01 3.92 2.01 0.14 -1.38 115.64 119.06 2crq s THR 49 Ca 0.26 0.40 -0.00 0.00 0.31 0.00 0.00 61.69 62.66 2crq s THR 49 Cb -0.15 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.17 2crq s THR 49 CO 0.14 0.17 0.11 -0.63 -0.69 0.00 0.00 174.62 173.72 2crq s ILE 50 N 2.04 4.87 -0.05 1.82 1.01 -0.81 -2.27 121.20 127.81 2crq s ILE 50 Ca 0.03 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.31 2crq s ILE 50 Cb -0.12 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 39.07 2crq s ILE 50 CO -0.03 0.29 -0.22 -0.54 0.00 0.00 0.00 174.94 174.44 2crq s LYS 51 N -1.94 2.28 0.07 2.79 1.02 -1.22 -2.34 119.74 120.39 2crq s LYS 51 Ca 0.26 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.47 2crq s LYS 51 Cb -0.12 -1.94 -0.04 0.00 -0.52 0.00 0.00 37.83 35.21 2crq s LYS 51 CO 0.17 0.33 0.15 1.03 -0.92 0.00 0.00 175.35 176.11 2crq s ARG 52 N -0.08 3.19 0.18 1.68 0.52 -0.92 -2.53 118.95 120.99 2crq s ARG 52 Ca -0.04 -0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 54.31 2crq s ARG 52 Cb -0.13 -2.90 -0.08 0.00 0.52 0.00 0.00 34.95 32.36 2crq s ARG 52 CO 0.03 0.59 1.20 1.03 0.02 0.00 0.00 175.30 178.16 2crq s ARG 53 N -2.48 4.49 0.31 3.54 0.52 -1.26 -4.91 118.95 119.15 2crq s ARG 53 Ca 0.32 1.86 0.07 0.00 -0.52 0.00 0.00 55.73 57.46 2crq s ARG 53 Cb -0.13 -3.25 0.85 0.00 0.52 0.00 0.00 34.95 32.95 2crq s ARG 53 CO 0.25 -0.10 1.65 1.57 0.02 0.00 0.00 175.30 178.70 2crq h LYS 54 N 5.36 0.24 -0.47 3.54 2.10 -1.98 0.28 116.57 125.63 2crq h LYS 54 Ca -0.44 -0.01 -0.29 0.00 -2.00 0.00 0.00 60.65 57.90 2crq h LYS 54 Cb 1.21 -0.05 -0.19 0.00 -0.90 0.00 0.00 32.23 32.31 2crq h LYS 54 CO 0.75 0.16 -0.17 -0.25 -2.00 0.00 0.00 179.45 177.93 2crq n ASP 55 N -5.17 3.40 -4.35 7.07 8.00 -1.26 -5.06 116.55 119.18 2crq n ASP 55 Ca 0.25 -3.80 -0.32 0.00 0.71 0.00 0.00 54.79 51.63 2crq n ASP 55 Cb 0.80 -0.60 0.17 0.00 -0.02 0.00 0.00 41.12 41.46 2crq n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2crq n ALA 56 N -1.02 -3.46 -0.05 2.24 0.00 0.98 -4.97 120.51 114.23 2crq n ALA 56 Ca 0.38 -1.06 -0.06 0.00 0.00 0.00 0.00 53.44 52.70 2crq n ALA 56 Cb 0.97 -1.68 -0.07 0.00 0.00 0.00 0.00 19.45 18.67 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 -2.37 1.95 -1.57 0.00 0.28 -1.26 -5.02 120.64 112.65 2crq n GLU 57 Ca 0.03 0.01 -0.32 0.00 -0.16 0.00 0.00 57.16 56.72 2crq n GLU 57 Cb 0.58 -1.24 0.06 0.00 1.43 0.00 0.00 31.44 32.27 2crq n GLU 57 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 2crq s GLN 58 N -2.23 2.65 0.36 3.44 -1.52 -1.26 -5.04 119.66 116.05 2crq s GLN 58 Ca -0.07 1.24 -0.02 0.00 -1.95 0.00 0.00 55.36 54.56 2crq s GLN 58 Cb 0.03 -1.94 -0.04 0.00 -0.22 0.00 0.00 33.01 30.84 2crq s GLN 58 CO 0.36 -1.35 0.60 -1.12 -0.25 0.00 0.00 175.29 173.53 2crq s SER 59 N -3.04 6.32 0.29 5.90 0.01 -1.26 -4.98 113.70 116.94 2crq s SER 59 Ca 0.63 0.61 0.03 0.00 1.31 0.00 0.00 55.95 58.54 2crq s SER 59 Cb -0.18 -2.10 0.71 0.00 0.21 0.00 0.00 66.02 64.66 2crq s SER 59 CO 0.48 -0.33 1.68 -0.33 0.41 0.00 0.00 173.24 175.15 2crq h GLU 60 N 0.86 0.32 -0.90 12.44 3.07 -1.99 -1.26 114.58 127.11 2crq h GLU 60 Ca -0.49 -0.02 0.14 0.00 -0.50 0.00 0.00 59.36 58.49 2crq h GLU 60 Cb 1.21 -0.07 -0.14 0.00 -0.84 0.00 0.00 28.75 28.90 2crq h GLU 60 CO 0.63 0.21 -0.36 0.39 -1.40 0.00 0.00 179.01 178.48 2crq n GLU 61 N -5.11 -0.21 -0.13 2.33 1.02 -1.26 0.03 120.64 117.31 2crq n GLU 61 Ca 0.21 1.39 -0.08 0.00 -0.02 0.00 0.00 57.16 58.66 2crq n GLU 61 Cb 0.66 -2.06 -0.02 0.00 -0.02 0.00 0.00 31.44 29.99 2crq n GLU 61 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2crq h GLU 62 N 0.00 -0.26 -0.99 3.49 4.39 -1.62 -1.62 114.58 117.98 2crq h GLU 62 Ca 0.31 0.02 0.14 0.00 0.34 0.00 0.00 59.36 60.16 2crq h GLU 62 Cb 0.54 0.06 -0.15 0.00 -0.10 0.00 0.00 28.75 29.10 2crq h GLU 62 CO -0.90 -0.17 -0.44 1.15 -1.16 0.00 0.00 179.01 177.49 2crq h THR 63 N -0.27 0.00 0.07 1.13 2.02 -0.49 0.70 112.91 116.07 2crq h THR 63 Ca 0.17 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.37 2crq h THR 63 Cb 0.56 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 2crq h THR 63 CO -0.57 0.00 -0.25 -0.08 0.37 0.00 0.00 175.52 174.99 2crq h GLU 64 N -0.01 -0.41 -1.14 6.66 4.81 -1.17 -1.72 114.58 121.60 2crq h GLU 64 Ca 0.29 0.03 0.42 0.00 -0.13 0.00 0.00 59.36 59.97 2crq h GLU 64 Cb 0.55 0.09 -0.16 0.00 0.63 0.00 0.00 28.75 29.86 2crq h GLU 64 CO -0.97 -0.28 0.68 0.93 -0.73 0.00 0.00 179.01 178.64 2crq h GLU 65 N -0.43 0.08 -0.28 1.92 4.39 -0.30 -0.85 114.58 119.10 2crq h GLU 65 Ca 0.04 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.77 2crq h GLU 65 Cb 0.48 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.06 2crq h GLU 65 CO -0.17 0.05 -0.30 0.82 -1.16 0.00 0.00 179.01 178.25 2crq h ILE 66 N 0.08 0.00 -0.97 3.13 1.08 -0.71 -0.21 117.51 119.91 2crq h ILE 66 Ca 0.83 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 65.51 2crq h ILE 66 Cb 2.33 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 35.89 2crq h ILE 66 CO -0.61 0.00 -0.16 -0.26 -0.69 0.00 0.00 178.15 176.43 2crq h PHE 67 N -0.16 -0.38 -0.74 1.37 0.04 -1.27 0.81 116.94 116.60 2crq h PHE 67 Ca 0.05 0.08 0.05 0.00 2.80 0.00 0.00 57.97 60.95 2crq h PHE 67 Cb 0.29 0.32 -0.05 0.00 2.20 0.00 0.00 35.95 38.71 2crq h PHE 67 CO -0.74 -0.42 0.45 -0.91 -0.60 0.00 0.00 178.31 176.10 2crq h ASN 68 N 0.00 0.72 -0.15 2.17 2.35 -1.15 -0.63 115.58 118.89 2crq h ASN 68 Ca 0.50 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 56.31 2crq h ASN 68 Cb 0.85 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 2crq h ASN 68 CO -0.97 0.48 0.11 1.56 -1.65 0.00 0.00 177.43 176.96 2crq h GLN 69 N 0.85 0.00 0.00 0.81 4.20 0.20 0.00 115.11 121.18 2crq h GLN 69 Ca 0.32 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.89 2crq h GLN 69 Cb 0.11 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2crq h GLN 69 CO -0.15 0.00 -0.80 0.82 -0.67 0.00 0.00 178.83 178.04 2crq h ILE 70 N 0.00 0.84 0.00 2.54 2.04 -0.48 -3.24 117.51 119.22 2crq h ILE 70 Ca 0.07 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.66 2crq h ILE 70 Cb 0.30 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 2crq h ILE 70 CO -0.00 0.48 -0.15 -0.11 0.00 0.00 0.00 178.15 178.37 2crq n LEU 71 N -3.14 0.79 0.00 1.44 7.94 -0.12 -3.33 117.00 120.57 2crq n LEU 71 Ca -0.01 0.49 0.07 0.00 -1.11 0.00 0.00 56.01 55.45 2crq n LEU 71 Cb 0.78 -0.29 0.33 0.00 0.53 0.00 0.00 43.42 44.78 2crq n LEU 71 CO 0.42 -0.15 0.70 0.00 -1.11 0.00 0.00 177.39 177.25 2crq n GLN 72 N -2.22 0.13 -0.01 1.96 6.02 -0.58 -1.45 117.38 121.24 2crq n GLN 72 Ca 0.05 0.19 0.10 0.00 -0.01 0.00 0.00 57.00 57.33 2crq n GLN 72 Cb 0.43 -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 0.00 -2.58 5.09 -2.24 -1.21 -4.54 114.28 107.44 2crq n THR 73 Ca 0.06 -0.43 -0.11 0.00 -2.27 0.00 0.00 64.05 61.30 2crq n THR 73 Cb 0.13 0.09 0.03 0.00 -2.10 0.00 0.00 70.33 68.48 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 -2.14 2.16 0.00 -0.78 0.00 -0.82 -4.86 117.12 110.69 2crq n MET 74 Ca -0.03 -3.71 0.07 0.00 0.00 0.00 0.00 57.70 54.03 2crq n MET 74 Cb 0.49 -1.72 0.39 0.00 0.00 0.00 0.00 33.22 32.38 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 -0.44 0.25 0.00 3.17 -0.04 -0.53 0.45 135.00 137.86 2crq n PRO 75 Ca 0.19 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 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 -1.24 0.96 0.00 3.54 5.75 -1.26 -4.82 116.55 119.48 2crq n ASP 76 Ca 0.08 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.39 2crq n ASP 76 Cb 0.11 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 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 -0.23 0.00 -4.38 2.12 3.06 -0.94 -4.93 119.36 114.05 2crq n ILE 77 Ca 0.00 0.00 -0.24 0.00 -2.50 0.00 0.00 62.75 60.01 2crq n ILE 77 Cb 0.36 -0.14 -0.09 0.00 0.54 0.00 0.00 39.64 40.31 2crq n ILE 77 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2crq s ALA 78 N -1.25 2.96 0.11 1.51 0.00 0.17 -2.77 121.76 122.48 2crq s ALA 78 Ca 0.00 -1.76 -0.14 0.00 0.00 0.00 0.00 51.96 50.06 2crq s ALA 78 Cb 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.62 2crq s ALA 78 CO 0.00 0.28 0.34 -0.08 0.00 0.00 0.00 175.76 176.30 2crq s THR 79 N -2.40 0.09 -0.29 0.00 -1.32 0.18 -4.40 115.64 107.50 2crq s THR 79 Ca 0.31 -0.73 -0.28 0.00 -1.21 0.00 0.00 61.69 59.77 2crq s THR 79 Cb -0.06 -1.19 -0.04 0.00 -1.51 0.00 0.00 72.50 69.71 2crq s THR 79 CO 0.17 -0.40 2.04 -0.36 -2.21 0.00 0.00 174.62 173.86 2crq s PHE 80 N -3.70 1.45 -0.11 9.09 0.40 -1.26 -1.79 117.98 122.06 2crq s PHE 80 Ca 0.03 0.63 -0.21 0.00 -0.60 0.00 0.00 56.93 56.77 2crq s PHE 80 Cb 0.02 -4.00 -0.27 0.00 0.51 0.00 0.00 43.02 39.28 2crq s PHE 80 CO -0.11 -3.48 0.65 1.03 0.70 0.00 0.00 175.22 174.01 2crq h SER 81 N 14.30 0.27 -3.30 1.36 0.87 -1.70 -3.45 113.55 121.91 2crq h SER 81 Ca -0.37 -0.87 -0.58 0.00 -1.23 0.00 0.00 61.79 58.75 2crq h SER 81 Cb 1.21 -0.09 -0.40 0.00 -0.44 0.00 0.00 62.40 62.68 2crq h SER 81 CO 1.01 1.40 -0.76 -0.55 -0.53 0.00 0.00 176.83 177.39 2crq s SER 82 N -6.81 3.78 0.13 6.23 0.15 -1.22 -4.94 113.70 111.02 2crq s SER 82 Ca -0.19 -1.40 -0.33 0.00 0.70 0.00 0.00 55.95 54.73 2crq s SER 82 Cb 0.02 -0.90 -0.18 0.00 -1.71 0.00 0.00 66.02 63.25 2crq s SER 82 CO 0.74 -0.36 0.87 -1.14 1.20 0.00 0.00 173.24 174.56 2crq n ARG 83 N 4.83 0.31 -2.17 5.44 0.63 -1.26 -3.46 116.66 120.98 2crq n ARG 83 Ca -0.05 0.11 -0.42 0.00 -0.92 0.00 0.00 57.85 56.57 2crq n ARG 83 Cb 0.44 -1.41 -0.03 0.00 0.45 0.00 0.00 32.46 31.91 2crq n ARG 83 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2crq s PRO 84 N -0.54 4.23 0.20 -0.14 0.04 -1.26 -4.80 135.00 132.74 2crq s PRO 84 Ca 0.75 2.01 0.06 0.00 0.04 0.00 0.00 61.00 63.86 2crq s PRO 84 Cb -1.02 -3.76 -0.05 0.00 0.04 0.00 0.00 34.50 29.71 2crq s PRO 84 CO 0.56 -0.71 -0.10 -1.59 0.04 0.00 0.00 177.00 175.20 2crq s LYS 85 N 3.21 1.28 -0.04 4.56 0.00 -1.24 -4.93 119.74 122.57 2crq s LYS 85 Ca 0.66 -1.59 -0.30 0.00 0.00 0.00 0.00 55.97 54.75 2crq s LYS 85 Cb -0.31 -0.90 -0.06 0.00 0.00 0.00 0.00 37.83 36.56 2crq s LYS 85 CO 0.26 0.09 1.65 0.00 0.00 0.00 0.00 175.35 177.35 2crq s ALA 86 N -3.15 3.62 0.42 0.59 0.00 -1.26 -3.24 121.76 118.74 2crq s ALA 86 Ca 0.22 0.97 0.07 0.00 0.00 0.00 0.00 51.96 53.23 2crq s ALA 86 Cb 0.02 -3.74 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 2crq s ALA 86 CO 0.06 -1.36 0.24 0.96 0.00 0.00 0.00 175.76 175.66 2crq s ILE 87 N 3.86 2.39 -1.38 0.00 -4.36 0.35 -4.55 121.20 117.51 2crq s ILE 87 Ca 0.73 -1.59 -0.06 0.00 -0.26 0.00 0.00 60.65 59.47 2crq s ILE 87 Cb -0.34 -2.99 0.06 0.00 1.25 0.00 0.00 42.46 40.44 2crq s ILE 87 CO 0.30 0.00 0.14 0.54 0.24 0.00 0.00 174.94 176.16 2crq n ARG 88 N -1.33 -0.90 0.00 0.37 1.74 -1.26 0.87 116.66 116.15 2crq n ARG 88 Ca 0.00 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 2crq n ARG 88 Cb 0.64 -3.28 0.00 0.00 -1.02 0.00 0.00 32.46 28.80 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 -1.96 2.99 0.00 -0.13 0.00 -1.26 -4.28 105.19 100.54 2crq n GLY 89 Ca -0.17 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2crq n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2crq n GLY 90 N 0.00 0.29 0.00 -0.02 0.00 0.25 -4.99 105.19 100.72 2crq n GLY 90 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.85 -3.92 2.61 5.66 -1.24 -4.68 114.28 113.56 2crq n THR 91 Ca 0.00 0.21 -0.09 0.00 -3.05 0.00 0.00 64.05 61.12 2crq n THR 91 Cb 0.00 -0.99 -0.07 0.00 -1.55 0.00 0.00 70.33 67.72 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 -2.77 -0.06 0.19 1.79 0.00 -1.25 -2.16 121.76 117.49 2crq s ALA 92 Ca 0.10 -0.79 0.09 0.00 0.00 0.00 0.00 51.96 51.36 2crq s ALA 92 Cb 0.09 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 2crq s ALA 92 CO 0.22 -0.56 -0.17 -1.54 0.00 0.00 0.00 175.76 173.71 2crq s SER 93 N -2.92 2.75 -0.03 0.00 1.04 -0.99 -0.50 113.70 113.06 2crq s SER 93 Ca 0.11 -0.93 -0.01 0.00 0.48 0.00 0.00 55.95 55.60 2crq s SER 93 Cb 0.04 -0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.03 2crq s SER 93 CO -0.06 -0.07 0.05 -0.32 0.98 0.00 0.00 173.24 173.82 2crq s MET 94 N -3.15 -0.05 0.05 4.02 0.00 -1.20 -1.93 119.30 117.04 2crq s MET 94 Ca 0.19 0.29 -0.05 0.00 0.00 0.00 0.00 55.69 56.12 2crq s MET 94 Cb -0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 34.83 34.42 2crq s MET 94 CO 0.08 -0.24 0.09 0.00 0.00 0.00 0.00 175.02 174.94 2crq s VAL 96 N -3.03 2.57 -0.11 0.00 1.01 -1.22 0.02 120.40 119.65 2crq s VAL 96 Ca -0.01 -2.29 0.02 0.00 0.00 0.00 0.00 61.98 59.70 2crq s VAL 96 Cb 0.01 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 34.07 2crq s VAL 96 CO -0.07 -0.35 -0.18 -0.36 0.00 0.00 0.00 175.10 174.14 2crq s PHE 97 N -2.35 2.17 0.11 5.22 0.08 -0.94 -1.95 117.98 120.32 2crq s PHE 97 Ca 0.29 -0.98 0.04 0.00 0.12 0.00 0.00 56.93 56.39 2crq s PHE 97 Cb -0.06 -1.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.84 2crq s PHE 97 CO 0.15 -0.46 -0.10 -0.98 -0.10 0.00 0.00 175.22 173.72 2crq s ARG 98 N 0.76 0.93 0.47 0.44 1.70 -0.74 -3.77 118.95 118.74 2crq s ARG 98 Ca -0.11 -1.27 -0.23 0.00 -0.47 0.00 0.00 55.73 53.65 2crq s ARG 98 Cb -0.16 -0.56 -0.07 0.00 -0.57 0.00 0.00 34.95 33.59 2crq s ARG 98 CO 0.02 0.08 1.21 -1.58 -1.08 0.00 0.00 175.30 173.95 2crq s HIS 99 N -2.80 2.77 1.07 5.89 5.65 -1.26 0.48 115.29 127.09 2crq s HIS 99 Ca 0.10 1.50 -0.21 0.00 0.25 0.00 0.00 55.06 56.70 2crq s HIS 99 Cb -0.01 -3.48 0.00 0.00 -1.18 0.00 0.00 32.58 27.92 2crq s HIS 99 CO -0.00 -1.80 -0.43 1.28 -0.65 0.00 0.00 174.74 173.14 2crq n LEU 100 N -0.51 -2.51 -4.82 8.88 4.77 -1.12 -4.75 117.00 116.95 2crq n LEU 100 Ca 0.07 -0.04 -0.29 0.00 -0.03 0.00 0.00 56.01 55.73 2crq n LEU 100 Cb 0.47 -0.84 0.15 0.00 -2.33 0.00 0.00 43.42 40.86 2crq n LEU 100 CO 0.49 -3.13 0.76 -0.55 -1.33 0.00 0.00 177.39 173.63 2crq s SER 101 N -1.59 3.40 0.05 -1.43 0.15 -1.26 -4.71 113.70 108.31 2crq s SER 101 Ca 0.50 0.75 -0.14 0.00 0.70 0.00 0.00 55.95 57.76 2crq s SER 101 Cb -0.07 -1.16 -0.05 0.00 -1.71 0.00 0.00 66.02 63.02 2crq s SER 101 CO 0.67 -2.60 1.22 0.50 1.20 0.00 0.00 173.24 174.24 2crq h LYS 102 N -1.53 -0.25 0.31 5.44 3.64 -1.93 0.96 116.57 123.21 2crq h LYS 102 Ca -0.48 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.91 2crq h LYS 102 Cb 1.31 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 2crq h LYS 102 CO 0.55 -0.17 -0.33 0.87 -2.27 0.00 0.00 179.45 178.10 2crq h LYS 103 N -0.26 -0.62 -0.89 1.90 1.79 -1.94 -2.94 116.57 113.60 2crq h LYS 103 Ca 0.01 0.04 0.11 0.00 -2.18 0.00 0.00 60.65 58.63 2crq h LYS 103 Cb 0.29 0.14 -0.12 0.00 -1.58 0.00 0.00 32.23 30.95 2crq h LYS 103 CO -0.15 -0.42 -0.44 0.39 -1.08 0.00 0.00 179.45 177.75 2crq n GLU 104 N -4.40 -0.30 -1.22 3.15 4.71 -1.19 -4.45 120.64 116.94 2crq n GLU 104 Ca -0.08 1.35 -0.29 0.00 -0.01 0.00 0.00 57.16 58.14 2crq n GLU 104 Cb 0.30 -2.00 0.19 0.00 -1.01 0.00 0.00 31.44 28.92 2crq n GLU 104 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 2crq s GLU 105 N -5.64 0.11 1.07 3.49 -1.05 0.33 -4.94 118.70 112.06 2crq s GLU 105 Ca -0.11 0.31 -0.22 0.00 -0.15 0.00 0.00 54.97 54.79 2crq s GLU 105 Cb 0.14 -1.72 -0.02 0.00 -0.44 0.00 0.00 34.13 32.09 2crq s GLU 105 CO 0.59 -2.90 -0.59 1.63 0.95 0.00 0.00 175.26 174.94 2crq n LYS 106 N -4.25 -0.90 -1.53 -4.83 5.02 -1.26 -4.79 118.16 105.61 2crq n LYS 106 Ca 0.07 -0.25 -0.43 0.00 -2.02 0.00 0.00 58.31 55.68 2crq n LYS 106 Cb 0.58 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 2crq n LYS 106 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2crq n SER 107 N 0.45 0.29 -2.85 4.39 2.88 -1.26 -4.78 113.62 112.74 2crq n SER 107 Ca -0.00 1.03 -0.10 0.00 -1.33 0.00 0.00 58.87 58.46 2crq n SER 107 Cb 0.67 -1.22 0.01 0.00 -0.75 0.00 0.00 64.21 62.92 2crq n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2crq n GLY 108 N 1.47 0.33 3.59 0.46 0.00 -1.26 -5.10 105.19 104.68 2crq n GLY 108 Ca 0.11 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 0.48 3.18 -0.88 1.61 0.04 -1.26 -4.94 135.00 133.23 2crq s PRO 109 Ca 0.32 1.11 -0.10 0.00 0.04 0.00 0.00 61.00 62.37 2crq s PRO 109 Cb 0.14 -4.22 0.23 0.00 0.04 0.00 0.00 34.50 30.69 2crq s PRO 109 CO -0.17 -2.05 0.81 0.45 0.04 0.00 0.00 177.00 176.08 2crq s SER 110 N 6.26 6.62 -0.06 6.66 0.15 -1.26 -5.01 113.70 127.06 2crq s SER 110 Ca 0.73 -3.04 -0.00 0.00 0.70 0.00 0.00 55.95 54.34 2crq s SER 110 Cb -0.18 -2.13 0.03 0.00 -1.71 0.00 0.00 66.02 62.02 2crq s SER 110 CO 0.30 -0.44 -0.02 -0.55 1.20 0.00 0.00 173.24 173.73 2crq s SER 111 N 1.52 1.23 0.00 5.45 0.15 -1.26 -5.32 113.70 115.47 2crq s SER 111 Ca 0.22 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.77 2crq s SER 111 Cb -0.11 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 2crq s SER 111 CO -0.08 -0.13 0.50 0.61 1.20 0.00 0.00 173.24 175.35