#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 -0.44 0.75 1.61 0.15 -1.26 -5.18 113.70 109.32 2crq s SER 2 Ca 0.00 0.44 -0.03 0.00 0.70 0.00 0.00 55.95 57.06 2crq s SER 2 Cb 0.00 0.37 0.13 0.00 -1.71 0.00 0.00 66.02 64.81 2crq s SER 2 CO 0.00 -0.44 1.03 -0.55 1.20 0.00 0.00 173.24 174.48 2crq s SER 3 N -1.27 4.24 0.00 5.45 0.15 -1.26 -5.13 113.70 115.89 2crq s SER 3 Ca -0.03 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2crq s SER 3 Cb -0.00 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 2crq s SER 3 CO 0.03 -1.94 0.00 0.61 1.20 0.00 0.00 173.24 173.14 2crq n GLY 4 N -2.94 7.18 3.62 9.45 0.00 -1.26 -5.18 105.19 116.06 2crq n GLY 4 Ca 0.14 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 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 0.82 0.60 0.49 1.61 0.01 -1.26 -5.18 113.70 110.79 2crq s SER 5 Ca 0.00 -1.38 0.09 0.00 1.31 0.00 0.00 55.95 55.96 2crq s SER 5 Cb 0.00 0.76 0.05 0.00 0.21 0.00 0.00 66.02 67.03 2crq s SER 5 CO 0.00 -1.49 0.68 -0.55 0.41 0.00 0.00 173.24 172.28 2crq s SER 6 N -3.18 5.39 -0.41 2.44 0.15 -1.26 -5.10 113.70 111.73 2crq s SER 6 Ca 0.24 -0.62 0.04 0.00 0.70 0.00 0.00 55.95 56.32 2crq s SER 6 Cb -0.03 -0.21 0.17 0.00 -1.71 0.00 0.00 66.02 64.24 2crq s SER 6 CO 0.17 -1.04 0.39 -0.83 1.20 0.00 0.00 173.24 173.14 2crq s GLY 7 N -4.50 0.50 0.00 9.45 0.00 -1.26 -4.96 107.32 106.55 2crq s GLY 7 Ca 0.58 -1.75 0.15 0.00 0.00 0.00 0.00 44.72 43.70 2crq s GLY 7 CO 0.36 2.49 1.39 -1.55 0.00 0.00 0.00 173.10 175.79 2crq n PRO 8 N 3.30 0.30 -2.16 2.90 -0.04 -1.26 -4.79 135.00 133.25 2crq n PRO 8 Ca 0.22 0.10 -0.34 0.00 -0.04 0.00 0.00 63.50 63.44 2crq n PRO 8 Cb 0.47 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.44 2crq n PRO 8 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2crq s LYS 9 N -2.39 3.32 0.40 0.54 1.02 -1.26 -4.94 119.74 116.43 2crq s LYS 9 Ca 0.17 1.41 0.08 0.00 0.02 0.00 0.00 55.97 57.65 2crq s LYS 9 Cb 0.10 -2.02 0.84 0.00 -0.52 0.00 0.00 37.83 36.23 2crq s LYS 9 CO 0.21 -0.84 2.02 0.00 -0.92 0.00 0.00 175.35 175.82 2crq h THR 10 N 0.84 1.12 -3.93 2.17 1.03 -2.03 -3.49 112.91 108.62 2crq h THR 10 Ca -0.48 -0.34 0.00 0.00 -0.01 0.00 0.00 66.41 65.57 2crq h THR 10 Cb 1.24 0.70 0.00 0.00 -1.07 0.00 0.00 68.15 69.02 2crq h THR 10 CO 0.57 0.14 -1.00 0.61 -0.01 0.00 0.00 175.52 175.83 2crq n GLY 11 N -1.31 -4.40 3.63 2.99 0.00 -1.26 -4.94 105.19 99.90 2crq n GLY 11 Ca 0.02 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 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 -4.69 -0.41 0.56 1.61 0.04 -1.26 -4.96 135.00 125.89 2crq s PRO 12 Ca 0.00 0.22 -0.19 0.00 0.04 0.00 0.00 61.00 61.08 2crq s PRO 12 Cb 0.00 -1.66 -0.08 0.00 0.04 0.00 0.00 34.50 32.80 2crq s PRO 12 CO 0.00 -3.23 0.72 -2.37 0.04 0.00 0.00 177.00 172.16 2crq n THR 13 N -4.48 2.78 -3.62 1.26 5.66 -1.26 -5.00 114.28 109.63 2crq n THR 13 Ca 0.09 -0.50 -0.00 0.00 -3.05 0.00 0.00 64.05 60.58 2crq n THR 13 Cb 0.58 -0.88 -0.01 0.00 -1.55 0.00 0.00 70.33 68.47 2crq n THR 13 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 2crq s MET 14 N -2.30 0.45 0.00 1.09 0.00 -1.26 -5.18 119.30 112.11 2crq s MET 14 Ca 0.71 -0.23 0.01 0.00 0.00 0.00 0.00 55.69 56.18 2crq s MET 14 Cb -0.45 0.16 -0.01 0.00 0.00 0.00 0.00 34.83 34.54 2crq s MET 14 CO 0.52 -0.20 -0.04 0.99 0.00 0.00 0.00 175.02 176.29 2crq s THR 15 N -2.51 0.28 -0.05 10.11 2.01 -1.26 -4.35 115.64 119.86 2crq s THR 15 Ca 0.13 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 61.89 2crq s THR 15 Cb 0.03 -0.26 -0.02 0.00 0.01 0.00 0.00 72.50 72.26 2crq s THR 15 CO -0.04 -0.01 -0.20 -0.54 -0.69 0.00 0.00 174.62 173.15 2crq s LYS 16 N -0.31 2.52 -0.10 4.92 -0.14 -1.05 -5.03 119.74 120.55 2crq s LYS 16 Ca -0.01 -0.80 0.04 0.00 -1.36 0.00 0.00 55.97 53.84 2crq s LYS 16 Cb -0.03 -2.27 0.00 0.00 -1.68 0.00 0.00 37.83 33.85 2crq s LYS 16 CO -0.00 0.50 -0.23 -1.21 -0.76 0.00 0.00 175.35 173.65 2crq s GLU 17 N -0.44 2.92 -0.15 1.68 2.02 -1.26 -0.71 118.70 122.75 2crq s GLU 17 Ca 0.05 -0.83 -0.01 0.00 0.02 0.00 0.00 54.97 54.20 2crq s GLU 17 Cb -0.12 -2.22 -0.01 0.00 0.10 0.00 0.00 34.13 31.89 2crq s GLU 17 CO 0.02 0.16 -0.12 -1.17 0.02 0.00 0.00 175.26 174.16 2crq s LEU 18 N 0.38 2.68 -0.20 1.80 2.96 0.06 -4.94 118.68 121.42 2crq s LEU 18 Ca -0.18 -0.38 -0.00 0.00 -0.22 0.00 0.00 54.13 53.35 2crq s LEU 18 Cb -0.18 -1.62 0.05 0.00 0.50 0.00 0.00 46.19 44.95 2crq s LEU 18 CO 0.08 0.11 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.50 2crq s VAL 19 N 0.66 1.21 0.11 1.68 1.01 -1.26 -0.41 120.40 123.40 2crq s VAL 19 Ca -0.06 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 2crq s VAL 19 Cb -0.15 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2crq s VAL 19 CO 0.02 -0.03 0.06 0.72 0.00 0.00 0.00 175.10 175.87 2crq s PHE 20 N 1.56 0.68 -0.08 5.22 -0.12 -1.15 -5.01 117.98 119.09 2crq s PHE 20 Ca -0.03 -1.11 -0.12 0.00 -0.05 0.00 0.00 56.93 55.62 2crq s PHE 20 Cb -0.17 -0.40 -0.05 0.00 -0.63 0.00 0.00 43.02 41.77 2crq s PHE 20 CO -0.07 -0.50 0.30 -1.54 -0.05 0.00 0.00 175.22 173.36 2crq s SER 21 N -2.99 6.58 0.28 1.98 1.04 -1.26 -1.01 113.70 118.31 2crq s SER 21 Ca 0.17 0.68 0.01 0.00 0.48 0.00 0.00 55.95 57.29 2crq s SER 21 Cb 0.07 -2.18 0.67 0.00 0.10 0.00 0.00 66.02 64.68 2crq s SER 21 CO -0.03 0.28 1.64 -1.28 0.98 0.00 0.00 173.24 174.83 2crq h SER 22 N 5.39 -0.10 -1.57 7.02 0.87 -1.92 0.25 113.55 123.50 2crq h SER 22 Ca -0.49 0.20 0.45 0.00 -1.23 0.00 0.00 61.79 60.72 2crq h SER 22 Cb 1.21 0.30 -0.06 0.00 -0.44 0.00 0.00 62.40 63.40 2crq h SER 22 CO 0.65 -0.18 1.19 -3.20 -0.53 0.00 0.00 176.83 174.76 2crq n ASN 23 N -5.27 0.00 -3.08 6.23 2.85 -1.26 -4.59 115.26 110.14 2crq n ASN 23 Ca 0.20 0.81 -0.38 0.00 -0.11 0.00 0.00 54.58 55.11 2crq n ASN 23 Cb 0.66 -0.39 -0.04 0.00 1.24 0.00 0.00 39.78 41.24 2crq n ASN 23 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2crq n ILE 24 N -3.53 0.56 -3.49 -1.44 3.06 0.86 -4.90 119.36 110.48 2crq n ILE 24 Ca 0.35 -0.14 -0.32 0.00 -2.50 0.00 0.00 62.75 60.15 2crq n ILE 24 Cb 1.66 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 41.79 2crq n ILE 24 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 2crq s GLY 25 N -0.28 2.27 0.26 4.50 0.00 -1.26 -4.84 107.32 107.96 2crq s GLY 25 Ca 0.55 -0.36 -0.07 0.00 0.00 0.00 0.00 44.72 44.85 2crq s GLY 25 CO 0.39 -0.24 1.60 -1.61 0.00 0.00 0.00 173.10 173.24 2crq h GLN 26 N 2.62 0.03 -0.96 2.90 5.75 -1.96 0.65 115.11 124.15 2crq h GLN 26 Ca -0.47 -0.00 0.21 0.00 -0.15 0.00 0.00 58.65 58.25 2crq h GLN 26 Cb 1.17 -0.01 -0.12 0.00 1.07 0.00 0.00 27.48 29.59 2crq h GLN 26 CO 0.70 0.02 0.53 0.45 -2.65 0.00 0.00 178.83 177.88 2crq h HIS 27 N 0.03 0.90 0.00 3.99 3.86 -2.01 0.10 115.15 122.04 2crq h HIS 27 Ca 0.45 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.69 2crq h HIS 27 Cb 0.77 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.99 2crq h HIS 27 CO -0.56 0.09 -0.00 -0.44 0.86 0.00 0.00 177.93 177.88 2crq h ASP 28 N 0.58 -0.00 -1.12 2.45 3.32 -0.25 -3.33 116.42 118.06 2crq h ASP 28 Ca 0.59 -0.44 0.34 0.00 0.02 0.00 0.00 57.03 57.54 2crq h ASP 28 Cb 1.04 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.47 2crq h ASP 28 CO -0.46 0.72 0.70 0.25 -1.72 0.00 0.00 179.24 178.73 2crq h LEU 29 N -1.00 0.40 -0.99 1.55 5.85 -0.21 0.19 115.31 121.10 2crq h LEU 29 Ca -0.00 0.14 0.37 0.00 0.84 0.00 0.00 57.88 59.23 2crq h LEU 29 Cb 0.44 0.09 -0.17 0.00 0.37 0.00 0.00 40.66 41.40 2crq h LEU 29 CO 0.00 -0.08 0.48 -0.78 -0.34 0.00 0.00 178.44 177.72 2crq h ASP 30 N 0.27 0.28 0.05 1.25 1.82 -0.91 0.24 116.42 119.43 2crq h ASP 30 Ca 0.72 0.24 -0.12 0.00 -0.39 0.00 0.00 57.03 57.48 2crq h ASP 30 Cb 1.92 0.25 0.01 0.00 0.68 0.00 0.00 39.33 42.20 2crq h ASP 30 CO -0.45 -0.33 -0.52 0.74 -1.61 0.00 0.00 179.24 177.07 2crq h THR 31 N 0.10 1.54 -0.92 2.25 2.02 -0.83 -3.30 112.91 113.78 2crq h THR 31 Ca 0.78 -2.26 0.22 0.00 0.77 0.00 0.00 66.41 65.92 2crq h THR 31 Cb 1.94 2.99 -0.17 0.00 -1.74 0.00 0.00 68.15 71.16 2crq h THR 31 CO -0.73 0.63 -0.05 0.11 0.37 0.00 0.00 175.52 175.85 2crq h LYS 32 N -0.43 0.03 0.65 6.66 1.79 -0.50 -0.03 116.57 124.74 2crq h LYS 32 Ca -0.08 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 2crq h LYS 32 Cb 1.33 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.96 2crq h LYS 32 CO 0.10 0.02 -0.42 0.77 -1.08 0.00 0.00 179.45 178.84 2crq h SER 33 N 0.03 -1.07 -0.41 0.86 0.02 -1.49 -2.44 113.55 109.05 2crq h SER 33 Ca 0.51 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.57 2crq h SER 33 Cb 0.94 0.32 -0.07 0.00 0.14 0.00 0.00 62.40 63.73 2crq h SER 33 CO -0.87 -0.64 -0.49 0.11 -1.14 0.00 0.00 176.83 173.80 2crq h LYS 34 N -1.02 -0.30 -0.91 3.45 1.57 -1.12 0.19 116.57 118.43 2crq h LYS 34 Ca -0.08 0.02 0.26 0.00 -1.87 0.00 0.00 60.65 58.98 2crq h LYS 34 Cb 0.83 0.07 -0.15 0.00 0.08 0.00 0.00 32.23 33.06 2crq h LYS 34 CO 0.07 -0.20 0.24 0.37 -0.57 0.00 0.00 179.45 179.36 2crq h GLN 35 N -0.31 0.16 0.17 3.15 5.75 -1.25 0.49 115.11 123.26 2crq h GLN 35 Ca 0.07 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 2crq h GLN 35 Cb 0.50 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.02 2crq h GLN 35 CO -0.55 0.11 -0.08 0.82 -2.65 0.00 0.00 178.83 176.48 2crq h ILE 36 N 0.17 0.95 -0.44 2.39 2.04 -0.38 -3.12 117.51 119.12 2crq h ILE 36 Ca 0.59 -0.58 0.09 0.00 1.00 0.00 0.00 64.86 65.96 2crq h ILE 36 Cb 1.24 1.30 -0.09 0.00 -0.74 0.00 0.00 36.82 38.52 2crq h ILE 36 CO -0.70 0.13 -0.25 -0.61 0.00 0.00 0.00 178.15 176.72 2crq h GLN 37 N -0.50 -0.16 -0.86 2.37 4.15 0.14 0.12 115.11 120.35 2crq h GLN 37 Ca -0.02 0.01 0.22 0.00 0.77 0.00 0.00 58.65 59.63 2crq h GLN 37 Cb 0.39 0.04 -0.13 0.00 0.21 0.00 0.00 27.48 27.98 2crq h GLN 37 CO 0.04 -0.11 0.28 1.96 -1.93 0.00 0.00 178.83 179.07 2crq h GLN 38 N -0.17 0.26 0.56 1.69 1.08 -1.17 -1.20 115.11 116.18 2crq h GLN 38 Ca 0.20 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.36 2crq h GLN 38 Cb 0.49 -0.06 0.01 0.00 -0.05 0.00 0.00 27.48 27.86 2crq h GLN 38 CO -0.54 0.17 -0.27 -1.49 -0.95 0.00 0.00 178.83 175.76 2crq h TRP 39 N 0.27 -0.70 -0.88 2.96 6.55 -0.94 -3.06 115.95 120.15 2crq h TRP 39 Ca 0.54 -0.02 0.24 0.00 0.95 0.00 0.00 58.89 60.60 2crq h TRP 39 Cb 1.05 0.23 -0.15 0.00 -0.86 0.00 0.00 29.16 29.44 2crq h TRP 39 CO -0.22 -0.38 0.19 0.82 -1.05 0.00 0.00 178.44 177.79 2crq h ILE 40 N -0.93 0.27 -1.04 1.49 1.08 -0.42 0.47 117.51 118.44 2crq h ILE 40 Ca -0.08 -0.06 0.29 0.00 -0.39 0.00 0.00 64.86 64.62 2crq h ILE 40 Cb 0.64 0.10 -0.12 0.00 -3.07 0.00 0.00 36.82 34.36 2crq h ILE 40 CO 0.13 0.03 0.63 -0.33 -0.69 0.00 0.00 178.15 177.91 2crq h GLU 41 N 0.16 0.41 -1.07 2.37 5.08 -1.18 0.75 114.58 121.10 2crq h GLU 41 Ca 0.55 -0.02 -0.48 0.00 -1.00 0.00 0.00 59.36 58.40 2crq h GLU 41 Cb 1.10 -0.09 -0.25 0.00 0.50 0.00 0.00 28.75 30.01 2crq h GLU 41 CO -0.69 0.27 0.62 1.63 -1.00 0.00 0.00 179.01 179.84 2crq n LYS 42 N -4.85 2.18 -4.26 2.33 5.02 0.16 -4.87 118.16 113.86 2crq n LYS 42 Ca 0.29 -2.58 -0.36 0.00 -2.02 0.00 0.00 58.31 53.63 2crq n LYS 42 Cb 0.90 -2.01 -0.04 0.00 -0.02 0.00 0.00 35.03 33.86 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 -2.70 -3.34 1.97 4.01 0.26 -4.89 118.16 112.75 2crq n LYS 43 Ca 0.51 0.33 -0.41 0.00 -0.51 0.00 0.00 58.31 58.22 2crq n LYS 43 Cb 1.15 -4.93 -0.09 0.00 -0.51 0.00 0.00 35.03 30.64 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 -3.38 3.19 -0.30 2.13 2.02 -0.97 -4.99 117.35 115.06 2crq s TYR 44 Ca 0.67 -0.05 -0.28 0.00 -0.37 0.00 0.00 57.07 57.04 2crq s TYR 44 Cb -0.37 -2.79 -0.05 0.00 -0.40 0.00 0.00 41.96 38.35 2crq s TYR 44 CO 0.94 -0.53 2.17 -1.01 -1.57 0.00 0.00 175.55 175.56 2crq s HIS 45 N 2.15 1.28 -0.36 2.71 3.76 -1.26 -3.97 115.29 119.59 2crq s HIS 45 Ca 0.14 0.75 -0.17 0.00 -0.15 0.00 0.00 55.06 55.63 2crq s HIS 45 Cb -0.16 -3.90 -0.00 0.00 1.11 0.00 0.00 32.58 29.62 2crq s HIS 45 CO 0.13 -3.54 0.47 0.08 -0.85 0.00 0.00 174.74 171.03 2crq s VAL 46 N 8.81 5.05 -0.56 -0.90 1.01 -1.24 -2.53 120.40 130.05 2crq s VAL 46 Ca 0.95 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.92 2crq s VAL 46 Cb -0.27 -3.95 0.11 0.00 0.00 0.00 0.00 36.38 32.27 2crq s VAL 46 CO 0.33 -0.23 0.61 -1.58 0.00 0.00 0.00 175.10 174.22 2crq s GLN 47 N 2.29 3.02 0.07 2.72 0.74 0.11 -1.89 119.66 126.71 2crq s GLN 47 Ca 0.16 -1.48 -0.20 0.00 0.05 0.00 0.00 55.36 53.89 2crq s GLN 47 Cb -0.16 -4.27 -0.07 0.00 1.10 0.00 0.00 33.01 29.61 2crq s GLN 47 CO 0.13 -1.43 0.60 0.08 -0.55 0.00 0.00 175.29 174.12 2crq s VAL 48 N 2.19 4.74 -0.23 1.34 1.01 -0.42 -0.76 120.40 128.26 2crq s VAL 48 Ca 0.08 1.27 -0.04 0.00 0.00 0.00 0.00 61.98 63.29 2crq s VAL 48 Cb -0.27 -3.93 0.09 0.00 0.00 0.00 0.00 36.38 32.27 2crq s VAL 48 CO 0.05 0.52 0.15 -0.89 0.00 0.00 0.00 175.10 174.93 2crq s THR 49 N -0.92 -0.15 -0.08 3.92 2.01 0.46 -1.59 115.64 119.28 2crq s THR 49 Ca 0.30 -0.42 -0.27 0.00 0.31 0.00 0.00 61.69 61.62 2crq s THR 49 Cb -0.20 -0.79 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 2crq s THR 49 CO 0.19 -0.46 0.86 -0.63 -0.69 0.00 0.00 174.62 173.89 2crq s ILE 50 N 2.18 4.92 -0.16 1.82 1.01 -0.22 -2.92 121.20 127.82 2crq s ILE 50 Ca 0.06 1.76 -0.14 0.00 0.00 0.00 0.00 60.65 62.33 2crq s ILE 50 Cb -0.16 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 2crq s ILE 50 CO -0.23 0.13 0.28 -0.54 0.00 0.00 0.00 174.94 174.59 2crq s LYS 51 N 1.37 4.26 -0.26 2.79 -0.14 -0.18 -2.86 119.74 124.72 2crq s LYS 51 Ca 0.43 0.07 -0.10 0.00 -1.36 0.00 0.00 55.97 55.02 2crq s LYS 51 Cb -0.18 -3.43 -0.04 0.00 -1.68 0.00 0.00 37.83 32.49 2crq s LYS 51 CO 0.20 0.24 0.15 1.03 -0.76 0.00 0.00 175.35 176.20 2crq s ARG 52 N 0.48 3.91 0.00 1.68 0.52 -1.25 -3.39 118.95 120.90 2crq s ARG 52 Ca 0.16 -0.35 0.24 0.00 -0.52 0.00 0.00 55.73 55.26 2crq s ARG 52 Cb -0.13 -3.52 0.14 0.00 0.52 0.00 0.00 34.95 31.96 2crq s ARG 52 CO 0.03 -0.09 1.20 2.89 0.02 0.00 0.00 175.30 179.35 2crq n ARG 53 N 4.74 1.75 -1.92 3.54 0.00 -1.26 -4.94 116.66 118.58 2crq n ARG 53 Ca -0.15 -1.44 -0.03 0.00 -0.00 0.00 0.00 57.85 56.24 2crq n ARG 53 Cb 0.52 -1.47 -0.01 0.00 -0.00 0.00 0.00 32.46 31.50 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 0.63 -2.11 -0.07 2.89 5.02 -1.26 -4.63 118.16 118.63 2crq n LYS 54 Ca 0.12 0.15 0.01 0.00 -2.02 0.00 0.00 58.31 56.57 2crq n LYS 54 Cb 0.53 -4.48 0.02 0.00 -0.02 0.00 0.00 35.03 31.07 2crq n LYS 54 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2crq n ASP 55 N -0.66 1.11 -4.79 4.39 2.03 -1.26 -5.07 116.55 112.29 2crq n ASP 55 Ca -0.03 -1.79 -0.24 0.00 0.52 0.00 0.00 54.79 53.25 2crq n ASP 55 Cb 0.35 -0.08 -0.06 0.00 -0.72 0.00 0.00 41.12 40.62 2crq n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2crq s ALA 56 N -0.78 3.81 -0.16 -1.67 0.00 -1.26 -5.01 121.76 116.70 2crq s ALA 56 Ca 0.04 -1.93 0.01 0.00 0.00 0.00 0.00 51.96 50.08 2crq s ALA 56 Cb 0.04 -0.58 0.22 0.00 0.00 0.00 0.00 23.12 22.79 2crq s ALA 56 CO 0.00 -0.21 1.38 -0.85 0.00 0.00 0.00 175.76 176.08 2crq n GLU 57 N -1.38 1.43 -4.17 0.00 0.00 -1.26 -4.87 120.64 110.40 2crq n GLU 57 Ca -0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 57.16 55.84 2crq n GLU 57 Cb 0.64 -1.40 -0.08 0.00 0.00 0.00 0.00 31.44 30.60 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 -1.12 2.50 0.42 3.44 1.11 -1.26 -5.13 119.66 119.62 2crq s GLN 58 Ca 0.19 -0.84 0.03 0.00 0.01 0.00 0.00 55.36 54.75 2crq s GLN 58 Cb 0.16 -2.51 0.00 0.00 -1.01 0.00 0.00 33.01 29.65 2crq s GLN 58 CO 0.03 0.54 0.61 -1.12 0.01 0.00 0.00 175.29 175.37 2crq s SER 59 N -2.19 5.79 0.08 5.90 0.01 -1.26 -5.02 113.70 117.01 2crq s SER 59 Ca 0.24 0.04 -0.19 0.00 1.31 0.00 0.00 55.95 57.35 2crq s SER 59 Cb -0.12 -1.29 -0.10 0.00 0.21 0.00 0.00 66.02 64.73 2crq s SER 59 CO 0.17 -0.67 1.51 1.05 0.41 0.00 0.00 173.24 175.70 2crq h GLU 60 N 0.54 0.39 -0.92 12.44 4.11 -2.01 -3.02 114.58 126.11 2crq h GLU 60 Ca -0.45 -0.12 0.18 0.00 0.07 0.00 0.00 59.36 59.03 2crq h GLU 60 Cb 1.26 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.37 2crq h GLU 60 CO 0.54 0.58 0.50 1.05 0.07 0.00 0.00 179.01 181.75 2crq h GLU 61 N 0.15 0.61 -0.70 1.06 4.11 -2.02 -0.06 114.58 117.73 2crq h GLU 61 Ca 0.06 -0.04 0.10 0.00 0.07 0.00 0.00 59.36 59.55 2crq h GLU 61 Cb 0.41 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 2crq h GLU 61 CO 0.01 0.41 0.34 0.93 0.07 0.00 0.00 179.01 180.77 2crq h GLU 62 N 0.63 0.56 -0.61 1.06 5.08 -1.94 -2.67 114.58 116.70 2crq h GLU 62 Ca 0.53 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.91 2crq h GLU 62 Cb 0.83 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.87 2crq h GLU 62 CO -0.40 0.37 -0.47 1.15 -1.00 0.00 0.00 179.01 178.66 2crq h THR 63 N 0.58 0.00 -0.70 1.13 2.02 -1.02 0.13 112.91 115.06 2crq h THR 63 Ca 0.35 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.61 2crq h THR 63 Cb 0.38 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.73 2crq h THR 63 CO -0.28 0.00 0.37 -0.33 0.37 0.00 0.00 175.52 175.65 2crq h GLU 64 N -0.14 0.64 -0.82 6.66 3.07 -1.57 -1.70 114.58 120.72 2crq h GLU 64 Ca 0.10 -0.04 0.12 0.00 -0.50 0.00 0.00 59.36 59.04 2crq h GLU 64 Cb 0.40 -0.14 -0.08 0.00 -0.84 0.00 0.00 28.75 28.09 2crq h GLU 64 CO -0.65 0.42 0.43 0.93 -1.40 0.00 0.00 179.01 178.74 2crq h GLU 65 N 0.66 0.65 -0.80 2.33 5.08 -0.54 -2.50 114.58 119.45 2crq h GLU 65 Ca 0.33 -0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.77 2crq h GLU 65 Cb 0.27 -0.15 -0.13 0.00 0.50 0.00 0.00 28.75 29.25 2crq h GLU 65 CO -0.22 0.43 -0.33 -0.89 -1.00 0.00 0.00 179.01 176.99 2crq n ILE 66 N -4.83 -0.44 0.04 3.13 2.08 0.20 0.02 119.36 119.55 2crq n ILE 66 Ca 0.15 1.89 -0.13 0.00 0.56 0.00 0.00 62.75 65.22 2crq n ILE 66 Cb 0.36 -2.48 -0.07 0.00 -0.75 0.00 0.00 39.64 36.70 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 -1.19 -0.60 1.39 0.04 -1.57 -1.62 116.94 113.39 2crq h PHE 67 Ca 0.26 0.04 0.10 0.00 2.80 0.00 0.00 57.97 61.17 2crq h PHE 67 Cb 0.46 0.53 -0.07 0.00 2.20 0.00 0.00 35.95 39.07 2crq h PHE 67 CO -0.72 -0.49 0.22 -0.91 -0.60 0.00 0.00 178.31 175.81 2crq h ASN 68 N -0.54 0.20 -0.97 2.17 2.35 -0.50 0.80 115.58 119.09 2crq h ASN 68 Ca 0.06 0.08 0.16 0.00 -0.55 0.00 0.00 56.30 56.05 2crq h ASN 68 Cb 0.64 0.07 -0.10 0.00 0.05 0.00 0.00 38.32 38.98 2crq h ASN 68 CO -0.34 0.12 0.57 1.56 -1.65 0.00 0.00 177.43 177.69 2crq h GLN 69 N 0.39 0.77 -0.01 0.81 4.20 0.03 -0.78 115.11 120.53 2crq h GLN 69 Ca 0.31 -0.05 -0.22 0.00 0.06 0.00 0.00 58.65 58.75 2crq h GLN 69 Cb 0.39 -0.17 0.02 0.00 0.30 0.00 0.00 27.48 28.01 2crq h GLN 69 CO -0.31 0.51 -0.85 0.82 -0.67 0.00 0.00 178.83 178.33 2crq h ILE 70 N 0.80 1.34 0.00 2.54 2.04 -0.27 -3.13 117.51 120.83 2crq h ILE 70 Ca 0.53 -2.16 0.00 0.00 1.00 0.00 0.00 64.86 64.23 2crq h ILE 70 Cb 0.72 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 39.24 2crq h ILE 70 CO -0.34 0.65 0.00 0.25 0.00 0.00 0.00 178.15 178.71 2crq h LEU 71 N 0.20 0.00 -0.94 1.44 5.85 0.12 -0.72 115.31 121.26 2crq h LEU 71 Ca -0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2crq h LEU 71 Cb 1.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.55 2crq h LEU 71 CO 0.17 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.27 2crq n GLN 72 N -2.80 0.17 -0.03 1.25 6.02 -0.40 -0.37 117.38 121.22 2crq n GLN 72 Ca -0.02 0.50 0.02 0.00 -0.01 0.00 0.00 57.00 57.49 2crq n GLN 72 Cb 0.07 -1.89 -0.15 0.00 1.02 0.00 0.00 30.24 29.30 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 -2.22 0.67 -2.38 5.09 -2.24 -0.28 -4.46 114.28 108.46 2crq n THR 73 Ca 0.01 -0.65 -0.15 0.00 -2.27 0.00 0.00 64.05 60.98 2crq n THR 73 Cb 0.15 -0.27 0.03 0.00 -2.10 0.00 0.00 70.33 68.14 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 -2.53 2.81 0.11 -0.78 0.00 -0.79 -4.82 117.12 111.12 2crq n MET 74 Ca -0.14 -3.93 0.11 0.00 0.00 0.00 0.00 57.70 53.74 2crq n MET 74 Cb 0.81 -1.99 0.46 0.00 0.00 0.00 0.00 33.22 32.50 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 -0.61 0.16 0.00 3.17 -0.04 0.50 0.15 135.00 138.33 2crq n PRO 75 Ca 0.29 0.40 0.01 0.00 -0.04 0.00 0.00 63.50 64.16 2crq n PRO 75 Cb 0.87 -1.81 0.01 0.00 -0.04 0.00 0.00 33.50 32.53 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 -2.12 1.12 0.00 3.54 5.68 -1.26 -4.63 116.55 118.88 2crq n ASP 76 Ca 0.02 -1.06 0.00 0.00 -0.50 0.00 0.00 54.79 53.25 2crq n ASP 76 Cb 0.22 0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 2crq n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2crq n ILE 77 N 0.04 0.00 -3.70 2.12 3.06 -1.01 -4.82 119.36 115.05 2crq n ILE 77 Ca 0.01 -0.20 -0.11 0.00 -2.50 0.00 0.00 62.75 59.95 2crq n ILE 77 Cb 0.06 0.74 -0.11 0.00 0.54 0.00 0.00 39.64 40.87 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 -0.94 -1.01 0.44 1.51 0.00 0.39 -3.99 121.76 118.16 2crq s ALA 78 Ca 0.00 1.48 0.05 0.00 0.00 0.00 0.00 51.96 53.50 2crq s ALA 78 Cb 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 23.12 22.16 2crq s ALA 78 CO 0.00 -0.26 0.02 -0.08 0.00 0.00 0.00 175.76 175.44 2crq s THR 79 N 1.35 1.78 -0.42 0.00 -1.32 0.62 -4.02 115.64 113.63 2crq s THR 79 Ca -0.09 -1.99 -0.29 0.00 -1.21 0.00 0.00 61.69 58.11 2crq s THR 79 Cb -0.08 -2.77 0.01 0.00 -1.51 0.00 0.00 72.50 68.15 2crq s THR 79 CO -0.12 0.00 1.39 -0.36 -2.21 0.00 0.00 174.62 173.32 2crq s PHE 80 N -2.75 2.43 -0.13 9.09 0.08 -1.26 -2.65 117.98 122.79 2crq s PHE 80 Ca 0.27 0.68 -0.12 0.00 0.12 0.00 0.00 56.93 57.88 2crq s PHE 80 Cb 0.07 -4.32 -0.10 0.00 -0.57 0.00 0.00 43.02 38.11 2crq s PHE 80 CO 0.14 -1.93 0.21 0.66 -0.10 0.00 0.00 175.22 174.20 2crq h SER 81 N 10.60 0.00 -3.66 1.36 4.64 -1.84 -3.44 113.55 121.20 2crq h SER 81 Ca -0.27 -0.34 -0.65 0.00 -0.47 0.00 0.00 61.79 60.06 2crq h SER 81 Cb 1.10 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.79 2crq h SER 81 CO 1.09 0.79 -0.72 -0.55 -0.87 0.00 0.00 176.83 176.57 2crq s SER 82 N -5.91 4.62 0.09 4.97 0.15 -1.25 -5.00 113.70 111.37 2crq s SER 82 Ca -0.11 -2.15 -0.24 0.00 0.70 0.00 0.00 55.95 54.15 2crq s SER 82 Cb 0.00 -1.51 -0.13 0.00 -1.71 0.00 0.00 66.02 62.66 2crq s SER 82 CO 0.29 -0.37 0.54 0.54 1.20 0.00 0.00 173.24 175.44 2crq n ARG 83 N 4.25 0.00 -2.06 5.44 5.12 -1.26 -3.96 116.66 124.18 2crq n ARG 83 Ca 0.03 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.55 2crq n ARG 83 Cb 0.41 -0.88 -0.03 0.00 -1.16 0.00 0.00 32.46 30.81 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 2.91 0.29 5.56 0.04 -1.26 -4.81 135.00 137.29 2crq s PRO 84 Ca 0.55 0.86 0.10 0.00 0.04 0.00 0.00 61.00 62.56 2crq s PRO 84 Cb -0.78 -4.30 -0.05 0.00 0.04 0.00 0.00 34.50 29.41 2crq s PRO 84 CO 0.41 -2.38 -0.09 -1.59 0.04 0.00 0.00 177.00 173.39 2crq s LYS 85 N 6.46 1.95 0.18 4.56 0.00 -1.22 -4.88 119.74 126.79 2crq s LYS 85 Ca 0.70 -1.68 -0.31 0.00 0.00 0.00 0.00 55.97 54.68 2crq s LYS 85 Cb -0.15 -1.91 -0.09 0.00 0.00 0.00 0.00 37.83 35.67 2crq s LYS 85 CO 0.25 0.28 1.43 0.00 0.00 0.00 0.00 175.35 177.32 2crq s ALA 86 N -2.47 3.63 0.17 0.59 0.00 -1.26 -3.37 121.76 119.05 2crq s ALA 86 Ca 0.32 1.24 0.05 0.00 0.00 0.00 0.00 51.96 53.56 2crq s ALA 86 Cb -0.04 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 2crq s ALA 86 CO 0.17 -0.68 -0.08 0.96 0.00 0.00 0.00 175.76 176.14 2crq s ILE 87 N 0.60 1.18 -1.36 0.00 -4.36 -0.56 -4.56 121.20 112.14 2crq s ILE 87 Ca 0.63 -2.07 -0.08 0.00 -0.26 0.00 0.00 60.65 58.87 2crq s ILE 87 Cb -0.40 -1.97 0.02 0.00 1.25 0.00 0.00 42.46 41.36 2crq s ILE 87 CO 0.36 -0.64 1.12 0.54 0.24 0.00 0.00 174.94 176.55 2crq n ARG 88 N -0.26 -7.38 -2.10 0.37 1.74 -1.26 -2.67 116.66 105.11 2crq n ARG 88 Ca -0.09 0.79 -0.02 0.00 -0.77 0.00 0.00 57.85 57.76 2crq n ARG 88 Cb 0.61 -5.81 0.01 0.00 -1.02 0.00 0.00 32.46 26.25 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 -1.83 0.39 4.09 -0.13 0.00 -1.26 -4.11 105.19 102.34 2crq n GLY 89 Ca -0.04 -0.33 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.14 -0.74 0.00 -0.02 0.00 -1.20 -4.83 105.19 97.27 2crq n GLY 90 Ca -0.04 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.83 0.00 -3.74 2.61 5.66 -1.09 -4.94 114.28 107.95 2crq n THR 91 Ca -0.12 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.75 2crq n THR 91 Cb 0.53 0.09 -0.08 0.00 -1.55 0.00 0.00 70.33 69.32 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 -1.53 -0.88 -0.15 1.79 0.00 -1.20 -3.79 121.76 116.00 2crq s ALA 92 Ca 0.00 0.45 -0.08 0.00 0.00 0.00 0.00 51.96 52.33 2crq s ALA 92 Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 2crq s ALA 92 CO 0.00 -0.27 0.13 -1.54 0.00 0.00 0.00 175.76 174.09 2crq s SER 93 N -1.23 6.30 0.02 0.00 1.04 -1.13 -1.50 113.70 117.18 2crq s SER 93 Ca -0.13 0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.72 2crq s SER 93 Cb -0.05 -2.07 -0.02 0.00 0.10 0.00 0.00 66.02 63.99 2crq s SER 93 CO 0.05 0.32 -0.14 -0.32 0.98 0.00 0.00 173.24 174.12 2crq s MET 94 N -0.46 1.02 -0.18 4.02 0.00 -1.22 -1.06 119.30 121.43 2crq s MET 94 Ca 0.12 -0.63 -0.28 0.00 0.00 0.00 0.00 55.69 54.91 2crq s MET 94 Cb -0.12 -1.01 0.08 0.00 0.00 0.00 0.00 34.83 33.79 2crq s MET 94 CO 0.02 0.26 0.76 0.00 0.00 0.00 0.00 175.02 176.06 2crq s VAL 96 N -0.34 4.65 -0.15 0.00 1.01 -1.25 -1.30 120.40 123.01 2crq s VAL 96 Ca -0.04 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 60.68 2crq s VAL 96 Cb -0.03 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.87 2crq s VAL 96 CO 0.04 -0.32 -0.17 -0.36 0.00 0.00 0.00 175.10 174.29 2crq s PHE 97 N -2.05 2.35 -0.01 5.22 0.40 -0.79 -3.00 117.98 120.10 2crq s PHE 97 Ca 0.33 -1.30 0.05 0.00 -0.60 0.00 0.00 56.93 55.40 2crq s PHE 97 Cb -0.08 -1.68 -0.01 0.00 0.51 0.00 0.00 43.02 41.75 2crq s PHE 97 CO 0.26 -0.67 -0.16 -0.98 0.70 0.00 0.00 175.22 174.36 2crq s ARG 98 N 1.30 1.29 0.29 0.44 1.70 -1.08 -3.62 118.95 119.26 2crq s ARG 98 Ca 0.02 -0.60 -0.30 0.00 -0.47 0.00 0.00 55.73 54.38 2crq s ARG 98 Cb -0.13 -1.25 -0.12 0.00 -0.57 0.00 0.00 34.95 32.87 2crq s ARG 98 CO -0.09 0.34 1.55 1.58 -1.08 0.00 0.00 175.30 177.60 2crq n HIS 99 N 2.60 2.71 -1.21 5.89 -0.00 -1.26 -0.28 115.22 123.68 2crq n HIS 99 Ca -0.15 0.30 -0.47 0.00 -0.00 0.00 0.00 57.72 57.40 2crq n HIS 99 Cb 0.54 -2.56 -0.06 0.00 -0.00 0.00 0.00 29.99 27.91 2crq n HIS 99 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2crq n LEU 100 N 2.06 0.04 0.00 0.27 4.77 -1.26 -4.76 117.00 118.13 2crq n LEU 100 Ca 0.09 0.93 -0.14 0.00 -0.03 0.00 0.00 56.01 56.85 2crq n LEU 100 Cb 0.36 -0.73 0.10 0.00 -2.33 0.00 0.00 43.42 40.81 2crq n LEU 100 CO 0.64 -1.49 0.42 -1.54 -1.33 0.00 0.00 177.39 174.09 2crq n SER 101 N 1.29 0.17 -0.34 -1.43 3.41 -1.26 -4.92 113.62 110.54 2crq n SER 101 Ca 0.16 -1.31 0.05 0.00 -0.26 0.00 0.00 58.87 57.52 2crq n SER 101 Cb 0.06 -0.49 0.13 0.00 -0.26 0.00 0.00 64.21 63.65 2crq n SER 101 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2crq n LYS 102 N -2.35 -0.09 -1.24 4.33 3.00 -1.26 -4.44 118.16 116.11 2crq n LYS 102 Ca 0.09 1.47 -0.29 0.00 -0.00 0.00 0.00 58.31 59.57 2crq n LYS 102 Cb 0.30 -2.20 0.19 0.00 0.00 0.00 0.00 35.03 33.33 2crq n LYS 102 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2crq s LYS 103 N -6.17 -0.05 -1.46 1.64 1.02 -1.26 -4.03 119.74 109.42 2crq s LYS 103 Ca -0.14 0.21 -0.08 0.00 0.02 0.00 0.00 55.97 55.97 2crq s LYS 103 Cb 0.25 -1.71 0.06 0.00 -0.52 0.00 0.00 37.83 35.91 2crq s LYS 103 CO 0.73 -2.99 0.81 0.39 -0.92 0.00 0.00 175.35 173.37 2crq n GLU 104 N -4.30 -4.84 -4.05 1.68 1.02 -1.26 -4.95 120.64 103.94 2crq n GLU 104 Ca 0.09 0.56 -0.13 0.00 -0.02 0.00 0.00 57.16 57.65 2crq n GLU 104 Cb 0.59 -5.23 -0.04 0.00 -0.02 0.00 0.00 31.44 26.74 2crq n GLU 104 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2crq s GLU 105 N -6.44 1.87 0.29 3.49 2.02 -1.26 -4.88 118.70 113.79 2crq s GLU 105 Ca 0.38 -1.65 0.05 0.00 0.02 0.00 0.00 54.97 53.77 2crq s GLU 105 Cb -0.19 0.46 -0.02 0.00 0.10 0.00 0.00 34.13 34.48 2crq s GLU 105 CO 0.84 -0.79 0.42 0.21 0.02 0.00 0.00 175.26 175.97 2crq s LYS 106 N -3.15 3.32 0.01 1.61 2.20 -1.26 -5.12 119.74 117.35 2crq s LYS 106 Ca 0.28 -0.80 0.08 0.00 -0.36 0.00 0.00 55.97 55.17 2crq s LYS 106 Cb -0.01 -2.84 -0.02 0.00 -1.51 0.00 0.00 37.83 33.45 2crq s LYS 106 CO 0.17 0.26 -0.25 0.45 -0.36 0.00 0.00 175.35 175.62 2crq s SER 107 N -4.06 3.00 0.00 1.43 0.15 -1.26 -5.06 113.70 107.91 2crq s SER 107 Ca 0.39 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2crq s SER 107 Cb -0.09 -0.30 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 2crq s SER 107 CO 0.31 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.63 2crq n GLY 108 N 2.13 -1.53 3.67 9.45 0.00 -1.26 -5.17 105.19 112.47 2crq n GLY 108 Ca -0.16 0.82 -0.29 0.00 0.00 0.00 0.00 46.02 46.39 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 0.24 -0.21 1.61 0.04 -1.26 -5.09 135.00 130.33 2crq s PRO 109 Ca 0.00 0.46 -0.19 0.00 0.04 0.00 0.00 61.00 61.31 2crq s PRO 109 Cb 0.00 -1.72 0.06 0.00 0.04 0.00 0.00 34.50 32.88 2crq s PRO 109 CO 0.00 -2.85 0.56 -1.54 0.04 0.00 0.00 177.00 173.21 2crq s SER 110 N -3.47 -0.59 -0.05 6.66 1.04 -1.26 -5.16 113.70 110.87 2crq s SER 110 Ca 0.66 1.13 0.05 0.00 0.48 0.00 0.00 55.95 58.27 2crq s SER 110 Cb -0.18 1.14 -0.02 0.00 0.10 0.00 0.00 66.02 67.05 2crq s SER 110 CO 0.58 -0.20 -0.17 -0.44 0.98 0.00 0.00 173.24 173.99 2crq s SER 111 N 0.37 3.76 0.00 7.02 0.01 -1.26 -5.38 113.70 118.23 2crq s SER 111 Ca -0.01 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 56.98 2crq s SER 111 Cb -0.04 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.44 2crq s SER 111 CO -0.00 0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.59