#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crg n SER 2 N 0.00 -3.73 -3.45 1.61 2.88 -1.26 -4.94 113.62 104.73 2crg n SER 2 Ca 0.00 -0.84 0.01 0.00 -1.33 0.00 0.00 58.87 56.71 2crg n SER 2 Cb 0.00 -3.64 -0.04 0.00 -0.75 0.00 0.00 64.21 59.79 2crg n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2crg s SER 3 N -3.52 -0.71 0.02 -3.46 1.04 -1.26 -5.06 113.70 100.75 2crg s SER 3 Ca 0.54 0.96 -0.25 0.00 0.48 0.00 0.00 55.95 57.69 2crg s SER 3 Cb -0.28 1.80 -0.18 0.00 0.10 0.00 0.00 66.02 67.47 2crg s SER 3 CO 0.85 -0.14 1.46 1.23 0.98 0.00 0.00 173.24 177.62 2crg h GLY 4 N 7.63 0.01 -5.97 7.32 0.00 -2.07 -3.43 103.07 106.56 2crg h GLY 4 Ca -0.16 -0.01 -0.55 0.00 0.00 0.00 0.00 47.33 46.61 2crg h GLY 4 CO 0.08 0.01 1.34 -1.14 0.00 0.00 0.00 176.54 176.82 2crg n SER 5 N -4.95 3.83 -3.94 0.19 3.41 -1.26 -4.77 113.62 106.13 2crg n SER 5 Ca -0.08 0.64 -0.50 0.00 -0.26 0.00 0.00 58.87 58.67 2crg n SER 5 Cb 0.16 -1.54 -0.12 0.00 -0.26 0.00 0.00 64.21 62.46 2crg n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2crg n SER 6 N 9.12 0.58 -0.03 4.04 2.88 -1.26 -4.83 113.62 124.12 2crg n SER 6 Ca 0.24 0.50 -0.01 0.00 -1.33 0.00 0.00 58.87 58.27 2crg n SER 6 Cb 0.42 -0.83 -0.00 0.00 -0.75 0.00 0.00 64.21 63.05 2crg n SER 6 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2crg h GLY 7 N 8.94 0.00 -1.23 0.46 0.00 -1.86 -3.47 103.07 105.90 2crg h GLY 7 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.84 2crg h GLY 7 CO 1.07 0.00 -0.53 1.03 0.00 0.00 0.00 176.54 178.11 2crg n MET 8 N -3.48 -2.50 -3.97 4.80 0.00 -1.26 -5.04 117.12 105.66 2crg n MET 8 Ca -0.02 -0.72 -0.14 0.00 0.00 0.00 0.00 57.70 56.83 2crg n MET 8 Cb 0.06 -1.86 -0.15 0.00 0.00 0.00 0.00 33.22 31.27 2crg n MET 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2crg s GLU 9 N -3.98 0.19 -0.22 0.03 0.41 -1.26 -5.13 118.70 108.74 2crg s GLU 9 Ca 0.60 -0.05 0.02 0.00 -0.41 0.00 0.00 54.97 55.13 2crg s GLU 9 Cb -0.16 -0.22 0.04 0.00 -1.78 0.00 0.00 34.13 32.01 2crg s GLU 9 CO 0.61 0.01 -0.14 -1.21 -0.49 0.00 0.00 175.26 174.05 2crg s GLU 10 N 0.14 2.44 0.33 1.61 2.02 -1.26 -5.12 118.70 118.87 2crg s GLU 10 Ca -0.01 -1.07 0.10 0.00 0.02 0.00 0.00 54.97 54.00 2crg s GLU 10 Cb -0.03 -2.69 -0.06 0.00 0.10 0.00 0.00 34.13 31.45 2crg s GLU 10 CO -0.00 -0.42 -0.08 -1.58 0.02 0.00 0.00 175.26 173.20 2crg s TRP 11 N 1.23 2.43 -0.05 1.61 0.52 -1.26 -5.13 118.94 118.29 2crg s TRP 11 Ca -0.03 -0.46 -0.18 0.00 0.02 0.00 0.00 56.10 55.45 2crg s TRP 11 Cb -0.17 -1.36 -0.05 0.00 -1.15 0.00 0.00 33.47 30.74 2crg s TRP 11 CO -0.08 0.57 0.51 -1.12 0.02 0.00 0.00 176.95 176.85 2crg s SER 12 N -3.63 6.82 0.25 2.95 0.01 -1.26 -4.97 113.70 113.87 2crg s SER 12 Ca 0.33 0.97 -0.06 0.00 1.31 0.00 0.00 55.95 58.50 2crg s SER 12 Cb 0.01 -2.31 0.46 0.00 0.21 0.00 0.00 66.02 64.39 2crg s SER 12 CO 0.17 0.11 1.63 0.00 0.41 0.00 0.00 173.24 175.56 2crg h ALA 13 N 5.89 0.82 0.54 1.44 0.00 -2.00 0.24 119.26 126.20 2crg h ALA 13 Ca -0.45 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2crg h ALA 13 Cb 1.20 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 2crg h ALA 13 CO 0.70 -0.43 -0.35 0.77 0.00 0.00 0.00 179.25 179.95 2crg h SER 14 N 0.11 -0.88 -0.89 0.00 0.02 -2.02 -2.70 113.55 107.19 2crg h SER 14 Ca 0.43 0.05 0.10 0.00 -0.84 0.00 0.00 61.79 61.53 2crg h SER 14 Cb 0.76 0.26 -0.08 0.00 0.14 0.00 0.00 62.40 63.49 2crg h SER 14 CO -0.67 -0.54 0.54 -0.33 -1.14 0.00 0.00 176.83 174.69 2crg h GLU 15 N -0.85 0.87 -0.38 3.45 4.39 -1.67 -2.64 114.58 117.74 2crg h GLU 15 Ca -0.06 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.65 2crg h GLU 15 Cb 0.69 -0.20 -0.09 0.00 -0.10 0.00 0.00 28.75 29.06 2crg h GLU 15 CO 0.05 0.57 -0.48 0.00 -1.16 0.00 0.00 179.01 178.00 2crg h ALA 16 N 1.48 -0.58 -0.65 3.43 0.00 -0.26 -0.75 119.26 121.93 2crg h ALA 16 Ca 0.43 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.51 2crg h ALA 16 Cb 0.38 0.98 -0.11 0.00 0.00 0.00 0.00 17.79 19.03 2crg h ALA 16 CO -0.24 -0.95 -0.05 0.00 0.00 0.00 0.00 179.25 178.00 2crg h LEU 18 N 0.07 -0.85 -0.20 0.00 3.38 -1.12 -2.51 115.31 114.08 2crg h LEU 18 Ca 0.33 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.47 2crg h LEU 18 Cb 0.54 0.38 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 2crg h LEU 18 CO -0.60 -0.31 -0.33 0.15 0.09 0.00 0.00 178.44 177.45 2crg h PHE 19 N -0.31 -0.99 -0.65 1.13 3.57 -0.42 0.34 116.94 119.60 2crg h PHE 19 Ca 0.12 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.72 2crg h PHE 19 Cb 0.49 0.46 -0.08 0.00 2.79 0.00 0.00 35.95 39.61 2crg h PHE 19 CO -0.39 -0.30 -0.41 0.93 -2.23 0.00 0.00 178.31 175.91 2crg h GLU 20 N -0.26 -0.03 -0.00 1.11 5.08 -1.24 1.59 114.58 120.82 2crg h GLU 20 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2crg h GLU 20 Cb 0.36 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2crg h GLU 20 CO -0.33 -0.02 0.05 1.05 -1.00 0.00 0.00 179.01 178.77 2crg h GLU 21 N -0.03 0.00 0.01 2.33 4.11 -1.04 -0.83 114.58 119.14 2crg h GLU 21 Ca 0.10 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.28 2crg h GLU 21 Cb 0.30 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.56 2crg h GLU 21 CO -0.62 0.00 -1.02 0.00 0.07 0.00 0.00 179.01 177.44 2crg h ALA 22 N 1.90 0.22 -0.10 1.06 0.00 0.63 -2.39 119.26 120.57 2crg h ALA 22 Ca 0.00 -0.71 -0.22 0.00 0.00 0.00 0.00 54.91 53.98 2crg h ALA 22 Cb 0.10 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.93 2crg h ALA 22 CO -0.00 0.75 -0.80 1.25 0.00 0.00 0.00 179.25 180.45 2crg h LEU 23 N 0.31 0.76 -0.87 0.00 5.85 0.55 0.50 115.31 122.41 2crg h LEU 23 Ca -0.11 -0.52 -0.12 0.00 0.84 0.00 0.00 57.88 57.97 2crg h LEU 23 Cb 1.67 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 2crg h LEU 23 CO 0.19 1.30 -0.45 1.05 -0.34 0.00 0.00 178.44 180.19 2crg h GLU 24 N 0.42 0.25 0.00 1.25 4.11 -1.48 -0.89 114.58 118.24 2crg h GLU 24 Ca -0.06 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 59.25 2crg h GLU 24 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2crg h GLU 24 CO 0.15 0.65 -0.10 -0.22 0.07 0.00 0.00 179.01 179.57 2crg h LYS 25 N 0.20 0.00 0.10 1.06 3.64 -1.41 -3.43 116.57 116.74 2crg h LYS 25 Ca 0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2crg h LYS 25 Cb 0.88 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 2crg h LYS 25 CO 0.07 0.00 -0.05 1.88 -2.27 0.00 0.00 179.45 179.08 2crg h TYR 26 N -0.63 -0.13 0.00 1.91 0.05 -1.02 -3.51 116.97 113.64 2crg h TYR 26 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2crg h TYR 26 Cb 0.10 0.04 0.00 0.00 1.01 0.00 0.00 36.73 37.89 2crg h TYR 26 CO -0.04 -0.08 0.00 0.41 -1.05 0.00 0.00 178.16 177.39 2crg n GLY 27 N 0.84 0.09 1.74 3.88 0.00 -0.34 -4.74 105.19 106.65 2crg n GLY 27 Ca -0.02 -1.84 -0.05 0.00 0.00 0.00 0.00 46.02 44.11 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 1.40 -3.72 1.61 4.76 -1.26 -4.56 118.16 116.39 2crg n LYS 28 Ca 0.00 -0.43 -0.28 0.00 -2.87 0.00 0.00 58.31 54.73 2crg n LYS 28 Cb 0.00 -1.45 -0.12 0.00 -1.84 0.00 0.00 35.03 31.62 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 2.01 3.62 0.38 4.39 1.11 -1.26 -4.95 116.67 121.97 2crg s ASP 29 Ca 0.29 -3.42 0.11 0.00 0.18 0.00 0.00 52.55 49.71 2crg s ASP 29 Cb 0.14 -1.19 0.90 0.00 1.07 0.00 0.00 42.92 43.84 2crg s ASP 29 CO 0.00 -0.14 1.88 -0.26 1.18 0.00 0.00 175.17 177.83 2crg h PHE 30 N 5.69 0.71 0.92 4.23 0.04 -1.93 -2.42 116.94 124.16 2crg h PHE 30 Ca 0.15 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.90 2crg h PHE 30 Cb 0.83 -0.22 0.01 0.00 2.20 0.00 0.00 35.95 38.77 2crg h PHE 30 CO 0.52 0.25 -0.44 -0.97 -0.60 0.00 0.00 178.31 177.08 2crg h ASN 31 N 0.59 -1.04 -1.14 2.17 -0.73 -1.92 0.16 115.58 113.68 2crg h ASN 31 Ca 0.43 0.04 0.35 0.00 1.87 0.00 0.00 56.30 58.99 2crg h ASN 31 Cb 0.80 0.27 -0.13 0.00 0.27 0.00 0.00 38.32 39.54 2crg h ASN 31 CO -0.18 -0.74 0.71 0.44 -0.37 0.00 0.00 177.43 177.28 2crg h ASP 32 N -1.24 0.38 0.03 1.15 5.19 -1.87 0.49 116.42 120.56 2crg h ASP 32 Ca -0.13 0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2crg h ASP 32 Cb 0.94 0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.56 2crg h ASP 32 CO 0.21 -0.11 -0.01 0.40 -3.12 0.00 0.00 179.24 176.61 2crg h ILE 33 N 0.24 0.00 -0.07 0.35 2.04 -1.27 -3.26 117.51 115.54 2crg h ILE 33 Ca 0.74 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 66.45 2crg h ILE 33 Cb 2.00 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2crg h ILE 33 CO -0.46 0.00 0.61 -0.09 0.00 0.00 0.00 178.15 178.21 2crg h ARG 34 N -0.21 0.00 0.44 2.37 2.43 -0.24 0.70 114.38 119.86 2crg h ARG 34 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2crg h ARG 34 Cb 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2crg h ARG 34 CO 0.01 0.00 -0.21 0.37 -1.51 0.00 0.00 179.97 178.63 2crg h GLN 35 N 0.00 -0.57 0.00 0.20 5.75 -0.10 -2.88 115.11 117.51 2crg h GLN 35 Ca 0.03 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 2crg h GLN 35 Cb 1.24 0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.92 2crg h GLN 35 CO -0.00 -0.38 -0.65 -0.25 -2.65 0.00 0.00 178.83 174.90 2crg n ASP 36 N -4.15 1.42 -0.18 -0.69 9.92 -0.56 -4.21 116.55 118.11 2crg n ASP 36 Ca -0.07 0.24 -0.05 0.00 -0.53 0.00 0.00 54.79 54.37 2crg n ASP 36 Cb 0.23 -0.62 -0.04 0.00 -0.64 0.00 0.00 41.12 40.05 2crg n ASP 36 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2crg n PHE 37 N -3.92 -0.19 -3.63 1.24 3.01 0.13 -3.71 117.46 110.39 2crg n PHE 37 Ca -0.09 0.54 -0.29 0.00 1.01 0.00 0.00 57.45 58.61 2crg n PHE 37 Cb 0.34 -0.48 -0.14 0.00 -0.01 0.00 0.00 39.48 39.20 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 -8.07 1.80 0.21 4.37 1.43 -0.95 -4.99 118.68 112.49 2crg s LEU 38 Ca -0.05 -2.04 -0.02 0.00 -1.03 0.00 0.00 54.13 50.99 2crg s LEU 38 Cb 0.05 -0.72 0.18 0.00 0.03 0.00 0.00 46.19 45.73 2crg s LEU 38 CO 0.27 -0.35 1.57 1.55 0.23 0.00 0.00 176.35 179.62 2crg h PRO 39 N 7.43 0.60 -0.12 1.29 0.13 -1.59 -3.24 132.00 136.50 2crg h PRO 39 Ca -0.05 -0.31 -0.07 0.00 -0.87 0.00 0.00 66.00 64.70 2crg h PRO 39 Cb 0.98 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 2crg h PRO 39 CO 0.41 0.91 -0.18 0.11 -0.23 0.00 0.00 178.00 179.02 2crg h TRP 40 N 0.49 0.42 -3.17 1.56 0.09 -1.93 -3.45 115.95 109.95 2crg h TRP 40 Ca 0.04 -0.14 -0.56 0.00 0.09 0.00 0.00 58.89 58.32 2crg h TRP 40 Cb 0.93 -0.08 0.19 0.00 0.08 0.00 0.00 29.16 30.28 2crg h TRP 40 CO 0.04 0.79 -0.43 1.63 0.09 0.00 0.00 178.44 180.56 2crg n LYS 41 N -4.53 0.29 -2.52 0.12 4.76 -1.22 -4.98 118.16 110.06 2crg n LYS 41 Ca -0.07 0.14 -0.25 0.00 -2.87 0.00 0.00 58.31 55.26 2crg n LYS 41 Cb 0.40 -1.80 0.04 0.00 -1.84 0.00 0.00 35.03 31.82 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 -1.46 5.41 0.03 4.39 0.01 -1.26 -4.95 113.70 115.87 2crg s SER 42 Ca 0.65 0.43 -0.30 0.00 1.31 0.00 0.00 55.95 58.03 2crg s SER 42 Cb -0.35 -1.37 -0.17 0.00 0.21 0.00 0.00 66.02 64.33 2crg s SER 42 CO 0.58 -1.12 1.30 0.25 0.41 0.00 0.00 173.24 174.67 2crg h LEU 43 N -0.10 -0.87 -0.14 2.44 7.12 -1.93 -3.01 115.31 118.81 2crg h LEU 43 Ca -0.45 0.01 -0.04 0.00 0.13 0.00 0.00 57.88 57.53 2crg h LEU 43 Cb 1.28 0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 41.63 2crg h LEU 43 CO 0.58 -0.52 -0.08 0.74 -0.13 0.00 0.00 178.44 179.03 2crg h THR 44 N -1.21 1.32 -0.97 1.05 2.02 -1.98 -3.14 112.91 110.01 2crg h THR 44 Ca -0.10 -1.15 0.32 0.00 0.77 0.00 0.00 66.41 66.24 2crg h THR 44 Cb 0.80 1.79 -0.18 0.00 -1.74 0.00 0.00 68.15 68.82 2crg h THR 44 CO 0.17 0.34 0.20 -1.54 0.37 0.00 0.00 175.52 175.06 2crg n SER 45 N -4.64 0.05 -0.04 4.18 3.41 -1.24 0.19 113.62 115.53 2crg n SER 45 Ca -0.06 1.63 -0.10 0.00 -0.26 0.00 0.00 58.87 60.08 2crg n SER 45 Cb 0.31 -0.67 0.05 0.00 -0.26 0.00 0.00 64.21 63.64 2crg n SER 45 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2crg h ILE 46 N 0.00 1.29 0.56 -1.33 2.04 -1.49 -3.27 117.51 115.31 2crg h ILE 46 Ca 0.67 -1.61 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 2crg h ILE 46 Cb 1.56 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 2crg h ILE 46 CO -0.85 0.52 -0.28 0.40 0.00 0.00 0.00 178.15 177.94 2crg h ILE 47 N 0.56 0.42 -0.72 -0.67 2.04 0.21 -3.10 117.51 116.26 2crg h ILE 47 Ca 0.04 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.98 2crg h ILE 47 Cb 0.97 0.42 -0.10 0.00 -0.74 0.00 0.00 36.82 37.37 2crg h ILE 47 CO 0.09 0.00 -0.37 -0.62 0.00 0.00 0.00 178.15 177.25 2crg n GLU 48 N -5.43 -0.26 -0.34 2.37 1.02 -0.41 0.99 120.64 118.59 2crg n GLU 48 Ca -0.12 1.10 0.04 0.00 -0.02 0.00 0.00 57.16 58.15 2crg n GLU 48 Cb 0.32 -1.62 0.11 0.00 -0.02 0.00 0.00 31.44 30.23 2crg n GLU 48 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2crg h TYR 49 N 0.00 -0.60 -0.88 -0.32 5.03 -1.65 0.98 116.97 119.53 2crg h TYR 49 Ca 0.17 0.09 0.13 0.00 2.58 0.00 0.00 58.73 61.70 2crg h TYR 49 Cb 0.35 0.41 -0.14 0.00 1.55 0.00 0.00 36.73 38.90 2crg h TYR 49 CO -0.70 -0.40 -0.42 -0.92 -1.32 0.00 0.00 178.16 174.40 2crg h TYR 50 N -0.01 -1.21 -0.95 -3.82 3.20 0.55 0.72 116.97 115.46 2crg h TYR 50 Ca 0.43 0.10 0.21 0.00 3.14 0.00 0.00 58.73 62.61 2crg h TYR 50 Cb 0.67 0.66 -0.12 0.00 1.54 0.00 0.00 36.73 39.48 2crg h TYR 50 CO -0.75 -0.40 0.52 1.88 -1.64 0.00 0.00 178.16 177.77 2crg h TYR 51 N -0.06 0.89 -0.10 -3.82 0.05 -0.81 -0.38 116.97 112.75 2crg h TYR 51 Ca 0.28 0.04 -0.07 0.00 0.05 0.00 0.00 58.73 59.03 2crg h TYR 51 Cb 0.56 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.05 2crg h TYR 51 CO -0.84 0.09 -0.20 1.98 -1.05 0.00 0.00 178.16 178.14 2crg h MET 52 N 0.58 0.31 0.30 4.88 4.05 0.36 -2.67 114.93 122.75 2crg h MET 52 Ca 0.58 -0.20 -0.00 0.00 -0.28 0.00 0.00 59.70 59.80 2crg h MET 52 Cb 1.01 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.80 2crg h MET 52 CO -0.45 0.79 -0.51 2.35 0.23 0.00 0.00 176.91 179.33 2crg h TRP 53 N -0.13 -1.44 -0.98 1.39 7.01 0.86 0.47 115.95 123.13 2crg h TRP 53 Ca 0.00 0.03 0.15 0.00 2.11 0.00 0.00 58.89 61.18 2crg h TRP 53 Cb 0.78 0.59 -0.10 0.00 -2.10 0.00 0.00 29.16 28.33 2crg h TRP 53 CO 0.11 -0.62 0.60 1.57 -2.79 0.00 0.00 178.44 177.30 2crg h LYS 54 N -0.85 0.82 -0.49 2.65 2.10 -1.24 0.52 116.57 120.07 2crg h LYS 54 Ca -0.03 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 2crg h LYS 54 Cb 0.79 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 2crg h LYS 54 CO -0.18 0.54 0.00 0.25 -2.00 0.00 0.00 179.45 178.06 2crg n THR 55 N -4.72 0.40 -0.08 0.07 -2.24 -0.77 -3.96 114.28 102.98 2crg n THR 55 Ca 0.21 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.61 2crg n THR 55 Cb 0.46 -0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.49 2crg n THR 55 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2crg h THR 56 N 0.95 0.62 -6.95 4.28 2.02 0.23 -3.48 112.91 110.58 2crg h THR 56 Ca 0.00 -1.63 -0.59 0.00 0.77 0.00 0.00 66.41 64.96 2crg h THR 56 Cb 0.49 1.34 -0.26 0.00 -1.74 0.00 0.00 68.15 67.99 2crg h THR 56 CO 0.05 0.21 -0.89 0.47 0.37 0.00 0.00 175.52 175.73 2crg n ASP 57 N -4.58 -1.64 -4.24 4.18 8.00 -1.24 -4.88 116.55 112.15 2crg n ASP 57 Ca -0.15 -1.15 -0.43 0.00 0.71 0.00 0.00 54.79 53.78 2crg n ASP 57 Cb 0.40 -2.15 -0.07 0.00 -0.02 0.00 0.00 41.12 39.28 2crg n ASP 57 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2crg s ARG 58 N -7.09 2.83 -1.58 -1.24 6.06 -1.26 -4.63 118.95 112.04 2crg s ARG 58 Ca 0.56 -2.02 -0.13 0.00 -2.50 0.00 0.00 55.73 51.64 2crg s ARG 58 Cb -0.32 -4.08 0.10 0.00 0.06 0.00 0.00 34.95 30.72 2crg s ARG 58 CO 0.97 -1.24 0.77 0.66 -2.50 0.00 0.00 175.30 173.96 2crg n TYR 59 N 4.57 -1.89 -3.75 5.12 4.02 -1.26 -4.95 117.16 119.02 2crg n TYR 59 Ca -0.02 0.82 -0.14 0.00 -0.01 0.00 0.00 57.90 58.55 2crg n TYR 59 Cb 0.41 -3.45 -0.09 0.00 -0.02 0.00 0.00 39.34 36.20 2crg n TYR 59 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2crg s VAL 60 N -3.44 0.05 -1.11 -0.72 1.01 -1.26 -4.92 120.40 110.00 2crg s VAL 60 Ca 0.54 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 2crg s VAL 60 Cb -0.29 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.47 2crg s VAL 60 CO 0.89 -0.23 0.96 0.00 0.00 0.00 0.00 175.10 176.72 2crg n GLN 61 N 1.39 -6.42 -2.70 2.72 6.02 -1.26 -4.77 117.38 112.35 2crg n GLN 61 Ca -0.21 0.71 -0.42 0.00 -0.01 0.00 0.00 57.00 57.08 2crg n GLN 61 Cb 0.56 -5.39 -0.03 0.00 1.02 0.00 0.00 30.24 26.40 2crg n GLN 61 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2crg s GLN 62 N -5.79 4.54 0.23 -1.09 0.74 -1.26 -4.94 119.66 112.09 2crg s GLN 62 Ca 0.33 1.42 -0.06 0.00 0.05 0.00 0.00 55.36 57.10 2crg s GLN 62 Cb -0.14 -3.47 0.39 0.00 1.10 0.00 0.00 33.01 30.89 2crg s GLN 62 CO 0.62 -0.08 1.74 -0.22 -0.55 0.00 0.00 175.29 176.80 2crg h LYS 63 N 6.83 0.45 -0.86 1.67 3.64 -2.05 -2.54 116.57 123.71 2crg h LYS 63 Ca -0.40 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.03 2crg h LYS 63 Cb 1.21 -0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 32.82 2crg h LYS 63 CO 0.76 0.30 -0.58 -0.09 -2.27 0.00 0.00 179.45 177.57 2crg h ARG 64 N 0.46 -0.09 -6.98 1.90 2.43 -2.03 -3.40 114.38 106.66 2crg h ARG 64 Ca 0.37 0.01 -0.55 0.00 -0.81 0.00 0.00 59.98 59.00 2crg h ARG 64 Cb 0.51 0.02 0.13 0.00 -0.42 0.00 0.00 29.97 30.22 2crg h ARG 64 CO -0.35 -0.06 0.61 0.43 -1.51 0.00 0.00 179.97 179.08 2crg n SER 65 N -5.28 2.84 0.00 -3.80 7.64 -0.96 -4.26 113.62 109.80 2crg n SER 65 Ca 0.01 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.93 2crg n SER 65 Cb 0.28 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 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 0.72 2.69 0.00 0.23 0.00 -1.26 -4.90 105.19 102.66 2crg n GLY 66 Ca 0.08 -0.42 0.08 0.00 0.00 0.00 0.00 46.02 45.76 2crg n GLY 66 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crg n PRO 67 N 0.00 0.40 -3.95 1.61 -0.04 -1.26 -4.44 135.00 127.32 2crg n PRO 67 Ca 0.00 0.04 -0.31 0.00 -0.04 0.00 0.00 63.50 63.20 2crg n PRO 67 Cb 0.00 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.81 2crg n PRO 67 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2crg s SER 68 N -2.17 3.96 -0.00 3.54 1.04 -1.26 -5.11 113.70 113.70 2crg s SER 68 Ca 0.20 -1.25 0.03 0.00 0.48 0.00 0.00 55.95 55.41 2crg s SER 68 Cb 0.10 -1.23 -0.01 0.00 0.10 0.00 0.00 66.02 64.98 2crg s SER 68 CO 0.19 -0.24 -0.09 -0.94 0.98 0.00 0.00 173.24 173.15 2crg s SER 69 N 1.35 1.02 0.00 7.02 1.04 -1.26 -5.05 113.70 117.82 2crg s SER 69 Ca -0.05 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2crg s SER 69 Cb -0.19 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.83 2crg s SER 69 CO -0.07 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.84