#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crg s SER 2 N 0.00 -0.61 -0.01 1.61 0.15 -1.26 -5.06 113.70 108.51 2crg s SER 2 Ca 0.00 1.08 -0.22 0.00 0.70 0.00 0.00 55.95 57.52 2crg s SER 2 Cb 0.00 1.08 -0.22 0.00 -1.71 0.00 0.00 66.02 65.18 2crg s SER 2 CO 0.00 -0.29 1.11 -1.28 1.20 0.00 0.00 173.24 173.98 2crg h SER 3 N 4.77 0.38 -4.49 5.45 0.87 -2.13 -3.50 113.55 114.90 2crg h SER 3 Ca -0.28 -0.72 0.00 0.00 -1.23 0.00 0.00 61.79 59.56 2crg h SER 3 Cb 1.16 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2crg h SER 3 CO 0.18 1.04 0.00 0.61 -0.53 0.00 0.00 176.83 178.13 2crg n GLY 4 N 0.92 3.39 3.78 5.77 0.00 -1.26 -5.11 105.19 112.67 2crg n GLY 4 Ca -0.09 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 2crg n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crg s SER 5 N 0.00 5.54 -0.30 1.61 1.04 -1.26 -5.10 113.70 115.23 2crg s SER 5 Ca 0.00 -0.00 -0.02 0.00 0.48 0.00 0.00 55.95 56.40 2crg s SER 5 Cb 0.00 -1.49 0.19 0.00 0.10 0.00 0.00 66.02 64.82 2crg s SER 5 CO 0.00 0.18 0.68 -0.94 0.98 0.00 0.00 173.24 174.14 2crg s SER 6 N -2.37 -1.24 0.00 7.02 1.04 -1.26 -4.97 113.70 111.92 2crg s SER 6 Ca 0.29 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.40 2crg s SER 6 Cb -0.12 2.00 0.00 0.00 0.10 0.00 0.00 66.02 68.00 2crg s SER 6 CO 0.22 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.82 2crg n GLY 7 N 5.43 3.56 3.89 7.32 0.00 -1.26 -5.10 105.19 119.04 2crg n GLY 7 Ca -0.01 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 2crg n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2crg s MET 8 N 0.00 3.69 0.53 1.61 1.00 -1.26 -5.09 119.30 119.79 2crg s MET 8 Ca 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 55.69 55.76 2crg s MET 8 Cb 0.00 -2.60 -0.04 0.00 0.00 0.00 0.00 34.83 32.19 2crg s MET 8 CO 0.00 0.19 0.88 -1.21 0.00 0.00 0.00 175.02 174.87 2crg s GLU 9 N -3.46 3.55 -0.54 2.03 0.41 -1.26 -5.05 118.70 114.38 2crg s GLU 9 Ca 0.46 0.39 -0.05 0.00 -0.41 0.00 0.00 54.97 55.36 2crg s GLU 9 Cb -0.11 -2.27 0.14 0.00 -1.78 0.00 0.00 34.13 30.12 2crg s GLU 9 CO 0.28 -0.35 0.38 -1.21 -0.49 0.00 0.00 175.26 173.88 2crg s GLU 10 N -4.90 2.47 -0.19 1.61 2.02 -1.26 -5.04 118.70 113.41 2crg s GLU 10 Ca 0.50 -2.14 0.00 0.00 0.02 0.00 0.00 54.97 53.35 2crg s GLU 10 Cb -0.11 -3.80 0.05 0.00 0.10 0.00 0.00 34.13 30.37 2crg s GLU 10 CO 0.48 -1.16 -0.07 -1.58 0.02 0.00 0.00 175.26 172.95 2crg s TRP 11 N 0.64 2.12 0.91 1.61 0.52 -1.26 -5.13 118.94 118.35 2crg s TRP 11 Ca 0.12 -1.42 -0.10 0.00 0.02 0.00 0.00 56.10 54.72 2crg s TRP 11 Cb -0.22 -1.50 0.14 0.00 -1.15 0.00 0.00 33.47 30.75 2crg s TRP 11 CO -0.03 -0.70 1.13 0.45 0.02 0.00 0.00 176.95 177.82 2crg s SER 12 N 1.49 3.02 0.05 2.95 0.15 -1.26 -4.77 113.70 115.34 2crg s SER 12 Ca -0.01 2.08 -0.32 0.00 0.70 0.00 0.00 55.95 58.40 2crg s SER 12 Cb -0.16 -2.54 -0.19 0.00 -1.71 0.00 0.00 66.02 61.42 2crg s SER 12 CO -0.08 -3.02 1.49 0.00 1.20 0.00 0.00 173.24 172.83 2crg h ALA 13 N -1.81 -0.97 -0.66 5.45 0.00 -2.00 0.37 119.26 119.64 2crg h ALA 13 Ca -0.44 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 54.38 2crg h ALA 13 Cb 1.27 0.38 -0.12 0.00 0.00 0.00 0.00 17.79 19.32 2crg h ALA 13 CO 0.44 -1.00 -0.04 0.77 0.00 0.00 0.00 179.25 179.41 2crg h SER 14 N -1.05 -0.38 -0.67 0.00 0.02 -2.02 0.57 113.55 110.02 2crg h SER 14 Ca -0.10 0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 2crg h SER 14 Cb 0.76 0.33 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 2crg h SER 14 CO 0.16 -0.16 0.20 -0.33 -1.14 0.00 0.00 176.83 175.56 2crg h GLU 15 N 0.08 1.05 -0.65 3.45 3.07 -1.91 -3.03 114.58 116.63 2crg h GLU 15 Ca 0.35 -0.23 0.13 0.00 -0.50 0.00 0.00 59.36 59.10 2crg h GLU 15 Cb 0.57 -0.15 -0.12 0.00 -0.84 0.00 0.00 28.75 28.20 2crg h GLU 15 CO -0.60 0.92 -0.22 0.00 -1.40 0.00 0.00 179.01 177.70 2crg h ALA 16 N 1.08 0.31 -0.11 3.43 0.00 0.14 -0.66 119.26 123.45 2crg h ALA 16 Ca 0.21 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.39 2crg h ALA 16 Cb 0.31 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2crg h ALA 16 CO -0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 179.25 178.69 2crg h LEU 18 N -0.05 -1.03 -0.36 0.00 3.38 -1.10 -2.32 115.31 113.82 2crg h LEU 18 Ca 0.06 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.21 2crg h LEU 18 Cb 0.15 0.43 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 2crg h LEU 18 CO -0.14 -0.20 -0.21 0.33 0.09 0.00 0.00 178.44 178.31 2crg n PHE 19 N -4.14 -0.16 -0.32 1.13 7.35 -0.93 0.10 117.46 120.49 2crg n PHE 19 Ca -0.01 0.45 0.12 0.00 -0.76 0.00 0.00 57.45 57.25 2crg n PHE 19 Cb 0.17 -0.46 0.25 0.00 0.35 0.00 0.00 39.48 39.79 2crg n PHE 19 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2crg h GLU 20 N 0.00 0.05 -0.22 -4.13 5.08 -1.42 0.32 114.58 114.25 2crg h GLU 20 Ca 0.06 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2crg h GLU 20 Cb 0.15 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2crg h GLU 20 CO -0.34 0.03 0.02 0.93 -1.00 0.00 0.00 179.01 178.65 2crg h GLU 21 N 0.05 0.37 -0.37 2.33 5.08 0.12 -2.87 114.58 119.29 2crg h GLU 21 Ca 0.55 -0.11 0.06 0.00 -1.00 0.00 0.00 59.36 58.86 2crg h GLU 21 Cb 1.08 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.21 2crg h GLU 21 CO -0.84 0.54 -0.48 0.00 -1.00 0.00 0.00 179.01 177.22 2crg h ALA 22 N 0.82 -0.60 -0.80 3.43 0.00 0.31 0.20 119.26 122.62 2crg h ALA 22 Ca 0.06 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.13 2crg h ALA 22 Cb 0.36 0.98 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 2crg h ALA 22 CO 0.01 -0.95 0.52 1.25 0.00 0.00 0.00 179.25 180.08 2crg h LEU 23 N -0.39 0.54 -0.27 0.00 5.85 -1.37 0.82 115.31 120.48 2crg h LEU 23 Ca 0.10 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 2crg h LEU 23 Cb 0.60 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2crg h LEU 23 CO -0.56 0.29 -0.01 -0.33 -0.34 0.00 0.00 178.44 177.49 2crg h GLU 24 N 0.58 0.49 0.04 1.25 4.39 -0.51 -1.67 114.58 119.15 2crg h GLU 24 Ca 0.39 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.93 2crg h GLU 24 Cb 0.69 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2crg h GLU 24 CO -0.15 0.65 -0.02 -0.22 -1.16 0.00 0.00 179.01 178.11 2crg h LYS 25 N 0.27 -0.06 0.00 2.33 3.64 0.36 -3.43 116.57 119.69 2crg h LYS 25 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2crg h LYS 25 Cb 0.44 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2crg h LYS 25 CO 0.02 -0.04 -0.03 1.88 -2.27 0.00 0.00 179.45 179.01 2crg h TYR 26 N -0.65 0.00 0.00 1.91 0.05 0.46 -3.51 116.97 115.23 2crg h TYR 26 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2crg h TYR 26 Cb 0.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.78 2crg h TYR 26 CO 0.01 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.53 2crg n GLY 27 N 1.89 -0.11 0.55 3.88 0.00 -0.63 -4.46 105.19 106.32 2crg n GLY 27 Ca -0.00 -1.90 0.33 0.00 0.00 0.00 0.00 46.02 44.44 2crg n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2crg n LYS 28 N 0.00 0.01 -1.77 1.61 4.76 -1.26 -3.96 118.16 117.54 2crg n LYS 28 Ca 0.00 1.00 -0.21 0.00 -2.87 0.00 0.00 58.31 56.23 2crg n LYS 28 Cb 0.00 -2.44 -0.06 0.00 -1.84 0.00 0.00 35.03 30.69 2crg n LYS 28 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2crg s ASP 29 N -3.53 4.45 0.19 4.39 1.01 -1.26 -4.75 116.67 117.16 2crg s ASP 29 Ca -0.03 -0.17 -0.01 0.00 0.71 0.00 0.00 52.55 53.04 2crg s ASP 29 Cb 0.16 -2.55 0.09 0.00 1.01 0.00 0.00 42.92 41.64 2crg s ASP 29 CO 0.55 -3.34 1.46 -0.26 0.21 0.00 0.00 175.17 173.79 2crg h PHE 30 N 12.56 0.55 0.62 4.23 0.04 -1.95 -3.24 116.94 129.74 2crg h PHE 30 Ca 0.02 -0.23 -0.02 0.00 2.80 0.00 0.00 57.97 60.53 2crg h PHE 30 Cb 1.02 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.07 2crg h PHE 30 CO 1.17 0.97 -0.45 -0.97 -0.60 0.00 0.00 178.31 178.43 2crg h ASN 31 N 0.30 -1.18 -0.99 2.17 -0.73 -1.93 0.53 115.58 113.74 2crg h ASN 31 Ca -0.02 0.08 0.30 0.00 1.87 0.00 0.00 56.30 58.53 2crg h ASN 31 Cb 1.23 0.36 -0.15 0.00 0.27 0.00 0.00 38.32 40.04 2crg h ASN 31 CO 0.12 -0.66 0.53 0.44 -0.37 0.00 0.00 177.43 177.49 2crg h ASP 32 N -1.03 0.46 0.00 1.15 5.19 -1.97 0.35 116.42 120.57 2crg h ASP 32 Ca -0.08 0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 2crg h ASP 32 Cb 0.85 0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.50 2crg h ASP 32 CO 0.04 -0.11 0.00 -0.38 -3.12 0.00 0.00 179.24 175.67 2crg n ILE 33 N -5.06 0.00 -0.14 0.35 5.41 -0.93 -2.99 119.36 116.00 2crg n ILE 33 Ca 0.30 0.86 0.27 0.00 1.00 0.00 0.00 62.75 65.17 2crg n ILE 33 Cb 0.91 -1.70 0.57 0.00 -0.71 0.00 0.00 39.64 38.72 2crg n ILE 33 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2crg h ARG 34 N 0.00 0.00 0.49 0.38 2.43 -0.64 0.18 114.38 117.22 2crg h ARG 34 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2crg h ARG 34 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2crg h ARG 34 CO 0.00 0.00 -0.24 0.37 -1.51 0.00 0.00 179.97 178.59 2crg h GLN 35 N 0.00 -0.63 0.00 0.20 5.75 -0.32 -2.74 115.11 117.37 2crg h GLN 35 Ca 0.42 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.96 2crg h GLN 35 Cb 2.34 0.14 0.00 0.00 1.07 0.00 0.00 27.48 31.03 2crg h GLN 35 CO -0.00 -0.42 -0.67 -0.25 -2.65 0.00 0.00 178.83 174.83 2crg n ASP 36 N -3.98 1.43 -0.15 -0.69 8.00 -0.29 -4.21 116.55 116.66 2crg n ASP 36 Ca -0.08 0.24 -0.04 0.00 0.71 0.00 0.00 54.79 55.62 2crg n ASP 36 Cb 0.26 -0.63 -0.04 0.00 -0.02 0.00 0.00 41.12 40.70 2crg n ASP 36 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2crg n PHE 37 N -3.93 -0.16 -3.62 1.24 3.01 0.47 -3.70 117.46 110.77 2crg n PHE 37 Ca -0.09 0.45 -0.29 0.00 1.01 0.00 0.00 57.45 58.52 2crg n PHE 37 Cb 0.35 -0.45 -0.14 0.00 -0.01 0.00 0.00 39.48 39.23 2crg n PHE 37 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2crg s LEU 38 N -7.67 1.70 0.21 4.37 1.43 -0.97 -4.99 118.68 112.75 2crg s LEU 38 Ca -0.04 -1.97 -0.03 0.00 -1.03 0.00 0.00 54.13 51.06 2crg s LEU 38 Cb 0.04 -0.68 0.18 0.00 0.03 0.00 0.00 46.19 45.75 2crg s LEU 38 CO 0.22 -0.35 1.57 1.55 0.23 0.00 0.00 176.35 179.57 2crg h PRO 39 N 7.52 0.60 -0.05 1.29 0.13 -1.56 -3.24 132.00 136.68 2crg h PRO 39 Ca -0.06 -0.31 -0.14 0.00 -0.87 0.00 0.00 66.00 64.61 2crg h PRO 39 Cb 0.98 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.13 2crg h PRO 39 CO 0.41 0.91 -0.52 0.11 -0.23 0.00 0.00 178.00 178.68 2crg h TRP 40 N 0.49 0.61 -3.10 1.56 0.09 -1.93 -3.46 115.95 110.21 2crg h TRP 40 Ca 0.04 -0.30 -0.57 0.00 0.09 0.00 0.00 58.89 58.15 2crg h TRP 40 Cb 0.93 -0.08 0.18 0.00 0.08 0.00 0.00 29.16 30.27 2crg h TRP 40 CO 0.04 1.09 -0.40 1.63 0.09 0.00 0.00 178.44 180.89 2crg n LYS 41 N -4.26 0.40 -3.02 0.12 4.76 -1.22 -4.95 118.16 109.99 2crg n LYS 41 Ca -0.09 0.17 -0.33 0.00 -2.87 0.00 0.00 58.31 55.18 2crg n LYS 41 Cb 0.62 -1.77 -0.06 0.00 -1.84 0.00 0.00 35.03 31.98 2crg n LYS 41 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2crg s SER 42 N -1.33 6.89 0.04 4.39 0.01 -1.26 -4.96 113.70 117.48 2crg s SER 42 Ca 0.67 1.45 -0.18 0.00 1.31 0.00 0.00 55.95 59.20 2crg s SER 42 Cb -0.39 -2.44 -0.09 0.00 0.21 0.00 0.00 66.02 63.32 2crg s SER 42 CO 0.56 -0.21 1.28 0.25 0.41 0.00 0.00 173.24 175.53 2crg h LEU 43 N 2.36 -0.68 0.15 2.44 7.12 -1.94 -2.35 115.31 122.41 2crg h LEU 43 Ca -0.48 0.05 -0.00 0.00 0.13 0.00 0.00 57.88 57.58 2crg h LEU 43 Cb 1.18 0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 41.53 2crg h LEU 43 CO 0.64 -0.34 -0.10 0.74 -0.13 0.00 0.00 178.44 179.25 2crg h THR 44 N -0.52 0.78 -0.88 1.05 2.02 -1.98 -2.94 112.91 110.45 2crg h THR 44 Ca -0.03 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.29 2crg h THR 44 Cb 0.44 0.78 -0.15 0.00 -1.74 0.00 0.00 68.15 67.48 2crg h THR 44 CO -0.02 0.00 -0.30 -0.24 0.37 0.00 0.00 175.52 175.33 2crg n SER 45 N -5.21 -0.49 -0.24 4.18 2.88 -1.21 0.23 113.62 113.75 2crg n SER 45 Ca -0.08 1.52 0.10 0.00 -1.33 0.00 0.00 58.87 59.08 2crg n SER 45 Cb 0.14 -0.38 0.37 0.00 -0.75 0.00 0.00 64.21 63.58 2crg n SER 45 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2crg h ILE 46 N 0.00 0.90 0.80 2.46 2.04 -1.24 -2.64 117.51 119.84 2crg h ILE 46 Ca 0.34 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.91 2crg h ILE 46 Cb 0.56 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2crg h ILE 46 CO -0.88 0.13 -0.39 0.40 0.00 0.00 0.00 178.15 177.42 2crg h ILE 47 N 0.72 0.19 -0.62 -0.67 2.04 0.29 -3.20 117.51 116.25 2crg h ILE 47 Ca 0.40 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 66.28 2crg h ILE 47 Cb 0.56 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 36.76 2crg h ILE 47 CO -0.17 0.00 -0.37 -0.62 0.00 0.00 0.00 178.15 177.00 2crg n GLU 48 N -5.54 -0.27 -0.27 2.37 1.02 -0.87 0.10 120.64 117.18 2crg n GLU 48 Ca -0.15 1.04 0.10 0.00 -0.02 0.00 0.00 57.16 58.14 2crg n GLU 48 Cb 0.43 -1.54 0.20 0.00 -0.02 0.00 0.00 31.44 30.52 2crg n GLU 48 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2crg n TYR 49 N -4.59 0.45 -0.03 -0.32 4.19 -1.21 0.44 117.16 116.08 2crg n TYR 49 Ca 0.01 0.93 -0.12 0.00 3.31 0.00 0.00 57.90 62.03 2crg n TYR 49 Cb 0.16 -1.05 -0.07 0.00 0.49 0.00 0.00 39.34 38.87 2crg n TYR 49 CO 0.00 0.00 0.00 -0.92 0.91 0.00 0.00 176.86 176.85 2crg h TYR 50 N 0.00 -1.32 -0.70 2.98 3.20 0.61 0.19 116.97 121.94 2crg h TYR 50 Ca 0.45 0.06 0.15 0.00 3.14 0.00 0.00 58.73 62.53 2crg h TYR 50 Cb 0.89 0.60 -0.11 0.00 1.54 0.00 0.00 36.73 39.65 2crg h TYR 50 CO -0.43 -0.48 0.11 1.88 -1.64 0.00 0.00 178.16 177.59 2crg h TYR 51 N -0.47 0.15 -0.56 -3.82 0.05 -0.03 0.30 116.97 112.59 2crg h TYR 51 Ca 0.08 0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.85 2crg h TYR 51 Cb 0.63 0.04 -0.03 0.00 1.01 0.00 0.00 36.73 38.39 2crg h TYR 51 CO -0.55 -0.13 0.14 1.98 -1.05 0.00 0.00 178.16 178.56 2crg h MET 52 N 0.20 0.87 0.44 4.88 4.05 -0.93 -0.41 114.93 124.03 2crg h MET 52 Ca 0.39 -0.18 -0.02 0.00 -0.28 0.00 0.00 59.70 59.61 2crg h MET 52 Cb 0.66 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 2crg h MET 52 CO -0.53 0.77 -0.21 2.35 0.23 0.00 0.00 176.91 179.52 2crg h TRP 53 N 0.83 -0.55 -0.93 1.39 7.01 0.23 -2.10 115.95 121.84 2crg h TRP 53 Ca 0.18 -0.01 0.17 0.00 2.11 0.00 0.00 58.89 61.34 2crg h TRP 53 Cb 0.29 0.18 -0.08 0.00 -2.10 0.00 0.00 29.16 27.46 2crg h TRP 53 CO 0.02 -0.34 0.60 1.57 -2.79 0.00 0.00 178.44 177.49 2crg h LYS 54 N -0.95 0.62 -0.43 2.65 5.09 -0.59 -0.74 116.57 122.22 2crg h LYS 54 Ca -0.06 -0.04 -0.03 0.00 0.09 0.00 0.00 60.65 60.61 2crg h LYS 54 Cb 0.45 -0.14 -0.02 0.00 0.10 0.00 0.00 32.23 32.62 2crg h LYS 54 CO 0.10 0.41 0.14 1.79 -2.09 0.00 0.00 179.45 179.79 2crg h THR 55 N 0.64 1.22 -4.10 0.07 1.35 -1.09 -3.44 112.91 107.55 2crg h THR 55 Ca 0.49 -0.72 -0.49 0.00 -0.55 0.00 0.00 66.41 65.14 2crg h THR 55 Cb 0.90 0.87 0.16 0.00 -1.73 0.00 0.00 68.15 68.34 2crg h THR 55 CO -0.24 0.26 0.25 0.42 -0.25 0.00 0.00 175.52 175.95 2crg s THR 56 N -5.42 2.70 -0.54 6.82 -4.23 -0.29 -4.96 115.64 109.73 2crg s THR 56 Ca -0.13 0.23 0.01 0.00 -1.18 0.00 0.00 61.69 60.62 2crg s THR 56 Cb 0.10 -2.61 0.45 0.00 1.34 0.00 0.00 72.50 71.78 2crg s THR 56 CO 0.77 -0.30 1.70 -0.90 -0.54 0.00 0.00 174.62 175.36 2crg n ASP 57 N -3.92 6.61 -4.53 3.99 5.68 -1.26 -4.95 116.55 118.16 2crg n ASP 57 Ca 0.08 -3.78 -0.46 0.00 -0.50 0.00 0.00 54.79 50.13 2crg n ASP 57 Cb 0.54 -0.74 -0.05 0.00 -1.14 0.00 0.00 41.12 39.73 2crg n ASP 57 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 2crg n ARG 58 N -0.80 1.53 -4.41 0.11 0.63 -1.26 -2.07 116.66 110.39 2crg n ARG 58 Ca 0.55 0.40 -0.40 0.00 -0.92 0.00 0.00 57.85 57.48 2crg n ARG 58 Cb 0.74 -2.92 -0.06 0.00 0.45 0.00 0.00 32.46 30.67 2crg n ARG 58 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 2crg n TYR 59 N 11.18 -1.40 -1.45 -0.14 9.36 -1.26 -4.78 117.16 128.68 2crg n TYR 59 Ca 0.35 0.73 -0.44 0.00 3.32 0.00 0.00 57.90 61.86 2crg n TYR 59 Cb 0.36 -2.34 -0.01 0.00 -0.63 0.00 0.00 39.34 36.72 2crg n TYR 59 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 2crg n VAL 60 N -4.21 1.76 -3.35 2.97 3.14 -0.88 -4.91 118.33 112.85 2crg n VAL 60 Ca 0.08 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.54 2crg n VAL 60 Cb 0.48 -0.40 -0.09 0.00 -1.06 0.00 0.00 33.84 32.77 2crg n VAL 60 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2crg s GLN 61 N -1.31 3.27 -0.21 1.45 -2.07 -1.26 -5.01 119.66 114.52 2crg s GLN 61 Ca 0.62 -0.63 -0.32 0.00 -1.82 0.00 0.00 55.36 53.21 2crg s GLN 61 Cb -0.74 -3.91 0.15 0.00 -1.09 0.00 0.00 33.01 27.43 2crg s GLN 61 CO 0.58 -0.73 1.21 -1.14 -1.32 0.00 0.00 175.29 173.90 2crg s GLN 62 N 2.09 0.30 -1.14 9.60 2.00 -1.26 -5.08 119.66 126.16 2crg s GLN 62 Ca 0.12 -0.03 -0.18 0.00 -2.00 0.00 0.00 55.36 53.26 2crg s GLN 62 Cb -0.17 0.14 0.10 0.00 0.80 0.00 0.00 33.01 33.88 2crg s GLN 62 CO 0.13 -0.11 1.49 0.15 -0.50 0.00 0.00 175.29 176.44 2crg s LYS 63 N -1.79 3.84 0.34 1.67 -0.14 -1.26 -4.96 119.74 117.45 2crg s LYS 63 Ca 0.07 -1.86 0.09 0.00 -1.36 0.00 0.00 55.97 52.91 2crg s LYS 63 Cb -0.01 -5.28 -0.06 0.00 -1.68 0.00 0.00 37.83 30.80 2crg s LYS 63 CO -0.05 -2.05 -0.07 1.03 -0.76 0.00 0.00 175.35 173.45 2crg s ARG 64 N 3.55 1.87 -0.15 1.68 0.52 -1.26 -5.09 118.95 120.07 2crg s ARG 64 Ca 0.46 -1.90 -0.13 0.00 -0.52 0.00 0.00 55.73 53.63 2crg s ARG 64 Cb -0.00 -1.75 -0.04 0.00 0.52 0.00 0.00 34.95 33.67 2crg s ARG 64 CO -0.02 0.14 -0.26 0.43 0.02 0.00 0.00 175.30 175.62 2crg n SER 65 N -0.83 1.80 -3.08 0.23 7.64 -1.26 -5.06 113.62 113.06 2crg n SER 65 Ca -0.05 0.46 -0.16 0.00 1.01 0.00 0.00 58.87 60.14 2crg n SER 65 Cb 0.63 -0.79 0.02 0.00 -1.01 0.00 0.00 64.21 63.06 2crg n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crg n GLY 66 N 1.54 -1.14 3.63 0.23 0.00 -1.26 -4.84 105.19 103.35 2crg n GLY 66 Ca -0.10 0.96 -0.43 0.00 0.00 0.00 0.00 46.02 46.45 2crg n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crg s PRO 67 N -2.21 3.80 -0.30 1.61 0.04 -1.26 -4.97 135.00 131.72 2crg s PRO 67 Ca 0.23 1.66 -0.12 0.00 0.04 0.00 0.00 61.00 62.81 2crg s PRO 67 Cb -0.04 -4.03 0.12 0.00 0.04 0.00 0.00 34.50 30.59 2crg s PRO 67 CO 0.71 -1.29 0.69 -1.54 0.04 0.00 0.00 177.00 175.62 2crg s SER 68 N 4.19 -1.06 -0.26 6.66 1.04 -1.26 -5.13 113.70 117.88 2crg s SER 68 Ca 0.71 1.49 -0.00 0.00 0.48 0.00 0.00 55.95 58.63 2crg s SER 68 Cb -0.25 2.07 0.08 0.00 0.10 0.00 0.00 66.02 68.02 2crg s SER 68 CO 0.29 -0.21 0.02 -0.55 0.98 0.00 0.00 173.24 173.77 2crg s SER 69 N 2.61 3.81 0.00 7.02 0.15 -1.26 -5.29 113.70 120.74 2crg s SER 69 Ca -0.06 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.23 2crg s SER 69 Cb -0.10 -1.00 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 2crg s SER 69 CO -0.19 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.54