#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 6.55 0.55 1.61 0.01 -1.26 -5.08 113.70 116.07 2crg s SER 2 Ca 0.00 1.40 0.05 0.00 1.31 0.00 0.00 55.95 58.71 2crg s SER 2 Cb 0.00 -2.44 0.06 0.00 0.21 0.00 0.00 66.02 63.85 2crg s SER 2 CO 0.00 -0.55 0.75 -0.44 0.41 0.00 0.00 173.24 173.41 2crg s SER 3 N -3.22 5.19 0.00 2.44 0.01 -1.26 -5.09 113.70 111.78 2crg s SER 3 Ca 0.56 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.41 2crg s SER 3 Cb -0.10 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.77 2crg s SER 3 CO 0.34 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 173.40 2crg n GLY 4 N -2.25 -1.13 3.55 3.44 0.00 -1.26 -5.14 105.19 102.40 2crg n GLY 4 Ca 0.11 0.72 -0.16 0.00 0.00 0.00 0.00 46.02 46.70 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 -0.62 0.00 1.61 1.04 -1.26 -5.13 113.70 109.35 2crg s SER 5 Ca 0.00 0.77 -0.32 0.00 0.48 0.00 0.00 55.95 56.88 2crg s SER 5 Cb 0.00 0.64 -0.16 0.00 0.10 0.00 0.00 66.02 66.60 2crg s SER 5 CO 0.00 -0.50 0.86 -0.24 0.98 0.00 0.00 173.24 174.35 2crg n SER 6 N 1.17 -0.02 0.00 7.02 2.88 -1.26 -4.49 113.62 118.92 2crg n SER 6 Ca -0.17 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.32 2crg n SER 6 Cb 0.57 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 2crg n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2crg n GLY 7 N 1.23 0.33 3.39 0.46 0.00 -1.26 -5.09 105.19 104.25 2crg n GLY 7 Ca 0.16 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 2crg n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2crg n MET 8 N 0.00 0.34 -2.71 1.61 0.00 -1.26 -4.97 117.12 110.13 2crg n MET 8 Ca 0.00 0.13 -0.21 0.00 0.00 0.00 0.00 57.70 57.62 2crg n MET 8 Cb 0.00 -1.39 0.03 0.00 0.00 0.00 0.00 33.22 31.86 2crg n MET 8 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2crg s GLU 9 N -1.54 2.65 -0.64 0.03 2.12 -1.26 -4.87 118.70 115.19 2crg s GLU 9 Ca 0.63 -0.73 -0.27 0.00 0.36 0.00 0.00 54.97 54.97 2crg s GLU 9 Cb -0.53 -2.50 -0.01 0.00 0.26 0.00 0.00 34.13 31.35 2crg s GLU 9 CO 0.59 -0.62 1.78 -1.21 -0.54 0.00 0.00 175.26 175.26 2crg s GLU 10 N -4.72 2.70 -0.18 4.30 2.02 -1.26 -4.92 118.70 116.64 2crg s GLU 10 Ca 0.55 0.47 -0.05 0.00 0.02 0.00 0.00 54.97 55.96 2crg s GLU 10 Cb -0.10 -4.38 0.06 0.00 0.10 0.00 0.00 34.13 29.81 2crg s GLU 10 CO 0.38 -2.67 0.08 -1.58 0.02 0.00 0.00 175.26 171.50 2crg s TRP 11 N 8.63 0.32 1.02 1.61 0.52 -1.26 -5.14 118.94 124.63 2crg s TRP 11 Ca 0.63 -0.41 -0.12 0.00 0.02 0.00 0.00 56.10 56.21 2crg s TRP 11 Cb -0.12 -0.75 0.15 0.00 -1.15 0.00 0.00 33.47 31.61 2crg s TRP 11 CO 0.19 -0.54 0.81 0.45 0.02 0.00 0.00 176.95 177.88 2crg n SER 12 N 5.25 -1.07 0.06 2.95 2.88 -1.26 -4.81 113.62 117.62 2crg n SER 12 Ca -0.07 0.19 -0.13 0.00 -1.33 0.00 0.00 58.87 57.53 2crg n SER 12 Cb 0.48 -1.30 -0.08 0.00 -0.75 0.00 0.00 64.21 62.57 2crg n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2crg h ALA 13 N -2.05 -0.09 -0.53 -1.46 0.00 -2.01 -2.78 119.26 110.34 2crg h ALA 13 Ca -0.49 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.43 2crg h ALA 13 Cb 1.30 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 2crg h ALA 13 CO 0.41 -0.51 0.19 0.66 0.00 0.00 0.00 179.25 180.00 2crg h SER 14 N -0.19 0.19 -0.35 0.00 4.64 -2.01 -2.32 113.55 113.51 2crg h SER 14 Ca -0.01 0.07 0.08 0.00 -0.47 0.00 0.00 61.79 61.45 2crg h SER 14 Cb 0.16 0.05 -0.08 0.00 -0.31 0.00 0.00 62.40 62.22 2crg h SER 14 CO 0.02 0.13 -0.18 -0.33 -0.87 0.00 0.00 176.83 175.60 2crg h GLU 15 N 0.37 -0.12 -0.82 4.77 3.07 -1.88 -1.18 114.58 118.79 2crg h GLU 15 Ca 0.26 0.01 0.20 0.00 -0.50 0.00 0.00 59.36 59.33 2crg h GLU 15 Cb 0.29 0.03 -0.14 0.00 -0.84 0.00 0.00 28.75 28.08 2crg h GLU 15 CO -0.26 -0.08 0.09 0.00 -1.40 0.00 0.00 179.01 177.36 2crg h ALA 16 N 1.13 0.99 -0.33 3.43 0.00 -1.14 0.15 119.26 123.48 2crg h ALA 16 Ca 0.18 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 2crg h ALA 16 Cb 0.39 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2crg h ALA 16 CO -0.43 -0.45 0.16 0.00 0.00 0.00 0.00 179.25 178.53 2crg h LEU 18 N 0.40 0.75 0.65 0.00 3.38 -0.12 -2.71 115.31 117.67 2crg h LEU 18 Ca 0.11 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2crg h LEU 18 Cb 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2crg h LEU 18 CO -0.01 0.43 -0.48 0.15 0.09 0.00 0.00 178.44 178.62 2crg h PHE 19 N 0.86 -1.29 -0.73 1.13 3.57 -0.90 0.22 116.94 119.79 2crg h PHE 19 Ca 0.42 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.99 2crg h PHE 19 Cb 0.36 0.48 -0.10 0.00 2.79 0.00 0.00 35.95 39.48 2crg h PHE 19 CO -0.04 -0.69 -0.58 0.93 -2.23 0.00 0.00 178.31 175.70 2crg h GLU 20 N -1.09 -0.17 -0.34 1.11 5.08 -1.28 0.47 114.58 118.37 2crg h GLU 20 Ca -0.08 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2crg h GLU 20 Cb 0.90 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 2crg h GLU 20 CO 0.03 -0.12 0.20 1.05 -1.00 0.00 0.00 179.01 179.18 2crg h GLU 21 N -0.18 0.45 -0.83 2.33 4.11 -1.41 -2.13 114.58 116.92 2crg h GLU 21 Ca 0.12 -0.03 0.05 0.00 0.07 0.00 0.00 59.36 59.57 2crg h GLU 21 Cb 0.49 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 2crg h GLU 21 CO -0.79 0.32 0.51 0.00 0.07 0.00 0.00 179.01 179.13 2crg h ALA 22 N 1.76 1.12 -0.36 1.06 0.00 0.33 -0.08 119.26 123.09 2crg h ALA 22 Ca 0.12 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 2crg h ALA 22 Cb -0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2crg h ALA 22 CO -0.02 0.28 -0.42 1.25 0.00 0.00 0.00 179.25 180.33 2crg h LEU 23 N 0.96 1.00 -0.79 0.00 5.85 -0.53 0.34 115.31 122.14 2crg h LEU 23 Ca 0.35 -0.48 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 2crg h LEU 23 Cb 0.12 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 2crg h LEU 23 CO -0.16 1.28 0.35 -0.33 -0.34 0.00 0.00 178.44 179.24 2crg h GLU 24 N 0.74 1.15 0.00 1.25 5.08 -1.08 -0.04 114.58 121.68 2crg h GLU 24 Ca 0.05 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2crg h GLU 24 Cb 1.02 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2crg h GLU 24 CO 0.10 0.91 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.76 2crg h LYS 25 N 1.13 0.00 0.00 2.33 3.64 -0.98 -3.44 116.57 119.24 2crg h LYS 25 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2crg h LYS 25 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2crg h LYS 25 CO -0.03 0.00 -0.16 1.88 -2.27 0.00 0.00 179.45 178.87 2crg h TYR 26 N -0.64 0.00 0.00 1.91 0.05 -0.47 -3.49 116.97 114.33 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 0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.79 2crg h TYR 26 CO -0.02 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.50 2crg n GLY 27 N 1.76 -0.52 0.67 3.88 0.00 -0.03 -4.38 105.19 106.57 2crg n GLY 27 Ca -0.02 -1.88 0.51 0.00 0.00 0.00 0.00 46.02 44.62 2crg n GLY 27 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2crg h LYS 28 N 0.00 0.00 -5.32 1.61 3.11 -1.92 -3.35 116.57 110.71 2crg h LYS 28 Ca 0.00 -0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.81 2crg h LYS 28 Cb 0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 2crg h LYS 28 CO 0.00 0.00 0.17 -3.47 -2.81 0.00 0.00 179.45 173.34 2crg n ASP 29 N -4.05 1.57 0.02 4.20 -0.08 -1.26 -4.73 116.55 112.22 2crg n ASP 29 Ca 0.43 -1.42 -0.10 0.00 -1.51 0.00 0.00 54.79 52.19 2crg n ASP 29 Cb 1.92 -1.58 0.04 0.00 2.34 0.00 0.00 41.12 43.84 2crg n ASP 29 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2crg h PHE 30 N 12.62 0.68 0.42 -0.67 0.04 -1.95 -3.24 116.94 124.84 2crg h PHE 30 Ca 0.00 -0.26 -0.01 0.00 2.80 0.00 0.00 57.97 60.50 2crg h PHE 30 Cb 1.01 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 39.02 2crg h PHE 30 CO 1.18 1.01 -0.46 -0.91 -0.60 0.00 0.00 178.31 178.52 2crg h ASN 31 N 0.39 -1.28 -0.86 2.17 4.21 -1.93 0.27 115.58 118.55 2crg h ASN 31 Ca -0.01 0.11 0.23 0.00 1.21 0.00 0.00 56.30 57.83 2crg h ASN 31 Cb 1.18 0.43 -0.14 0.00 -1.12 0.00 0.00 38.32 38.67 2crg h ASN 31 CO 0.11 -0.59 0.16 0.44 -1.29 0.00 0.00 177.43 176.26 2crg h ASP 32 N -0.89 -0.13 0.10 5.81 3.32 -1.97 0.19 116.42 122.85 2crg h ASP 32 Ca -0.05 0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 2crg h ASP 32 Cb 0.78 0.31 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2crg h ASP 32 CO -0.08 -0.19 -0.05 0.40 -1.72 0.00 0.00 179.24 177.61 2crg h ILE 33 N 0.16 0.00 -0.48 0.35 2.04 -1.46 -3.05 117.51 115.07 2crg h ILE 33 Ca 0.53 -0.06 0.14 0.00 1.00 0.00 0.00 64.86 66.47 2crg h ILE 33 Cb 1.04 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 2crg h ILE 33 CO -0.69 0.00 0.88 -0.09 0.00 0.00 0.00 178.15 178.26 2crg h ARG 34 N -0.19 0.00 0.39 2.37 2.43 -0.12 0.19 114.38 119.44 2crg h ARG 34 Ca -0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2crg h ARG 34 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2crg h ARG 34 CO 0.02 0.00 -0.19 0.37 -1.51 0.00 0.00 179.97 178.67 2crg h GLN 35 N 0.00 -0.50 0.00 0.20 4.15 -0.53 -2.84 115.11 115.58 2crg h GLN 35 Ca 0.23 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.68 2crg h GLN 35 Cb 1.99 0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.80 2crg h GLN 35 CO -0.00 -0.34 -0.80 -0.25 -1.93 0.00 0.00 178.83 175.51 2crg n ASP 36 N -3.96 1.70 -0.24 -0.69 8.00 -0.22 -4.16 116.55 116.97 2crg n ASP 36 Ca -0.06 0.28 -0.06 0.00 0.71 0.00 0.00 54.79 55.65 2crg n ASP 36 Cb 0.21 -0.67 -0.06 0.00 -0.02 0.00 0.00 41.12 40.58 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 -4.20 -0.25 -3.61 1.24 3.01 0.50 -3.75 117.46 110.39 2crg n PHE 37 Ca -0.11 0.72 -0.29 0.00 1.01 0.00 0.00 57.45 58.78 2crg n PHE 37 Cb 0.42 -0.52 -0.13 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 -8.78 1.73 -0.02 4.37 1.43 -0.89 -4.98 118.68 111.53 2crg s LEU 38 Ca -0.07 -2.07 -0.25 0.00 -1.03 0.00 0.00 54.13 50.70 2crg s LEU 38 Cb 0.06 -0.69 -0.20 0.00 0.03 0.00 0.00 46.19 45.39 2crg s LEU 38 CO 0.36 -0.34 1.27 1.55 0.23 0.00 0.00 176.35 179.42 2crg h PRO 39 N 7.36 0.04 -0.39 1.29 0.13 -1.59 -3.28 132.00 135.56 2crg h PRO 39 Ca -0.04 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.09 2crg h PRO 39 Cb 0.97 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 2crg h PRO 39 CO 0.40 0.52 0.20 0.11 -0.23 0.00 0.00 178.00 179.00 2crg h TRP 40 N -0.44 0.38 -3.78 1.56 0.09 -1.93 -3.43 115.95 108.40 2crg h TRP 40 Ca 0.00 0.01 -0.56 0.00 0.09 0.00 0.00 58.89 58.44 2crg h TRP 40 Cb 0.51 -0.11 0.17 0.00 0.08 0.00 0.00 29.16 29.81 2crg h TRP 40 CO 0.10 0.21 0.18 1.63 0.09 0.00 0.00 178.44 180.64 2crg n LYS 41 N -4.91 0.72 -2.27 0.12 4.76 -1.24 -5.01 118.16 110.34 2crg n LYS 41 Ca 0.01 0.30 -0.27 0.00 -2.87 0.00 0.00 58.31 55.48 2crg n LYS 41 Cb 0.08 -2.26 0.15 0.00 -1.84 0.00 0.00 35.03 31.16 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 -1.48 3.67 -0.06 4.39 0.01 -1.26 -4.94 113.70 114.03 2crg s SER 42 Ca 0.76 -0.09 -0.13 0.00 1.31 0.00 0.00 55.95 57.80 2crg s SER 42 Cb -0.37 -0.09 -0.09 0.00 0.21 0.00 0.00 66.02 65.68 2crg s SER 42 CO 0.47 -2.34 0.53 0.25 0.41 0.00 0.00 173.24 172.56 2crg h LEU 43 N -1.11 -0.26 -0.08 2.44 7.12 -1.95 -3.26 115.31 118.22 2crg h LEU 43 Ca -0.40 -0.12 -0.01 0.00 0.13 0.00 0.00 57.88 57.48 2crg h LEU 43 Cb 1.25 0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 41.44 2crg h LEU 43 CO 0.38 0.24 0.01 0.74 -0.13 0.00 0.00 178.44 179.68 2crg h THR 44 N -1.04 1.23 -0.91 1.05 2.02 -1.99 -3.13 112.91 110.15 2crg h THR 44 Ca -0.03 -0.70 0.14 0.00 0.77 0.00 0.00 66.41 66.58 2crg h THR 44 Cb 0.36 1.55 -0.14 0.00 -1.74 0.00 0.00 68.15 68.18 2crg h THR 44 CO 0.05 0.20 -0.37 -0.24 0.37 0.00 0.00 175.52 175.53 2crg n SER 45 N -4.87 -0.62 -0.02 4.18 2.88 -1.26 0.21 113.62 114.12 2crg n SER 45 Ca -0.06 1.59 0.05 0.00 -1.33 0.00 0.00 58.87 59.11 2crg n SER 45 Cb 0.17 -0.35 0.43 0.00 -0.75 0.00 0.00 64.21 63.71 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 1.08 0.23 2.46 2.04 -1.59 -2.76 117.51 118.97 2crg h ILE 46 Ca 0.30 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 2crg h ILE 46 Cb 0.53 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2crg h ILE 46 CO -0.90 0.10 -0.11 0.40 0.00 0.00 0.00 178.15 177.64 2crg h ILE 47 N 0.55 0.83 -0.75 -0.67 2.04 0.25 -3.11 117.51 116.66 2crg h ILE 47 Ca 0.17 -0.46 0.18 0.00 1.00 0.00 0.00 64.86 65.76 2crg h ILE 47 Cb 0.02 1.10 -0.14 0.00 -0.74 0.00 0.00 36.82 37.06 2crg h ILE 47 CO -0.04 0.10 -0.06 -0.62 0.00 0.00 0.00 178.15 177.53 2crg n GLU 48 N -5.12 -0.06 -0.15 2.37 1.02 -0.17 0.21 120.64 118.73 2crg n GLU 48 Ca -0.09 1.14 -0.08 0.00 -0.02 0.00 0.00 57.16 58.10 2crg n GLU 48 Cb 0.22 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 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 0.65 -0.63 -0.32 5.03 -1.61 -2.86 116.97 117.23 2crg h TYR 49 Ca 0.42 -0.03 0.12 0.00 2.58 0.00 0.00 58.73 61.81 2crg h TYR 49 Cb 0.79 -0.20 -0.09 0.00 1.55 0.00 0.00 36.73 38.78 2crg h TYR 49 CO -0.46 0.53 0.15 -0.92 -1.32 0.00 0.00 178.16 176.14 2crg h TYR 50 N 0.58 0.24 -0.03 -3.82 3.20 0.25 -0.44 116.97 116.95 2crg h TYR 50 Ca 0.15 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.10 2crg h TYR 50 Cb 0.13 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 2crg h TYR 50 CO -0.01 -0.03 -0.31 1.88 -1.64 0.00 0.00 178.16 178.06 2crg h TYR 51 N 0.28 -0.85 -0.29 -3.82 0.05 -1.15 0.16 116.97 111.35 2crg h TYR 51 Ca 0.34 0.03 0.03 0.00 0.05 0.00 0.00 58.73 59.18 2crg h TYR 51 Cb 0.51 0.38 -0.03 0.00 1.01 0.00 0.00 36.73 38.59 2crg h TYR 51 CO -0.24 -0.40 0.10 1.98 -1.05 0.00 0.00 178.16 178.55 2crg h MET 52 N -0.44 0.23 -0.81 4.88 4.05 -1.31 0.82 114.93 122.35 2crg h MET 52 Ca 0.07 -0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.54 2crg h MET 52 Cb 0.54 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.24 2crg h MET 52 CO -0.28 0.15 0.53 2.35 0.23 0.00 0.00 176.91 179.89 2crg h TRP 53 N 0.23 0.89 -0.15 1.39 7.01 -0.59 0.16 115.95 124.89 2crg h TRP 53 Ca 0.13 0.02 -0.20 0.00 2.11 0.00 0.00 58.89 60.95 2crg h TRP 53 Cb 0.10 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 26.87 2crg h TRP 53 CO -0.13 0.47 -0.71 -0.22 -2.79 0.00 0.00 178.44 175.05 2crg h LYS 54 N 0.88 0.68 -0.40 2.65 3.11 0.09 0.16 116.57 123.73 2crg h LYS 54 Ca 0.35 -0.52 -0.13 0.00 -2.81 0.00 0.00 60.65 57.53 2crg h LYS 54 Cb 0.24 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.56 2crg h LYS 54 CO -0.12 1.14 -0.26 1.79 -2.81 0.00 0.00 179.45 179.18 2crg h THR 55 N 0.48 1.28 0.00 1.00 1.35 0.04 -3.13 112.91 113.92 2crg h THR 55 Ca -0.03 -1.42 -0.19 0.00 -0.55 0.00 0.00 66.41 64.22 2crg h THR 55 Cb 1.32 1.30 -0.03 0.00 -1.73 0.00 0.00 68.15 69.01 2crg h THR 55 CO 0.14 0.48 -0.90 0.00 -0.25 0.00 0.00 175.52 174.99 2crg h THR 56 N 0.71 1.54 -5.67 6.82 1.03 -0.74 -3.48 112.91 113.12 2crg h THR 56 Ca 0.08 -3.18 -0.43 0.00 -0.01 0.00 0.00 66.41 62.88 2crg h THR 56 Cb 0.84 2.76 -0.00 0.00 -1.07 0.00 0.00 68.15 70.68 2crg h THR 56 CO 0.07 0.88 -0.67 0.47 -0.01 0.00 0.00 175.52 176.26 2crg n ASP 57 N -3.33 -5.11 -4.57 0.00 8.00 0.56 -4.79 116.55 107.31 2crg n ASP 57 Ca 0.00 -0.56 -0.17 0.00 0.71 0.00 0.00 54.79 54.78 2crg n ASP 57 Cb 0.90 -4.10 -0.08 0.00 -0.02 0.00 0.00 41.12 37.81 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 -6.26 1.60 -1.13 -1.24 6.06 -1.25 -3.05 118.95 113.69 2crg s ARG 58 Ca 0.53 -0.09 -0.01 0.00 -2.50 0.00 0.00 55.73 53.66 2crg s ARG 58 Cb -0.26 -4.93 -0.01 0.00 0.06 0.00 0.00 34.95 29.82 2crg s ARG 58 CO 0.65 -4.72 0.94 0.98 -2.50 0.00 0.00 175.30 170.65 2crg n TYR 59 N 18.25 -2.11 -0.10 5.12 4.19 -1.26 -4.96 117.16 136.29 2crg n TYR 59 Ca 0.44 0.89 -0.18 0.00 3.31 0.00 0.00 57.90 62.36 2crg n TYR 59 Cb 0.45 -4.85 -0.06 0.00 0.49 0.00 0.00 39.34 35.37 2crg n TYR 59 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 2crg n VAL 60 N -3.89 1.36 -1.49 2.97 0.31 -1.17 -5.00 118.33 111.42 2crg n VAL 60 Ca -0.25 -0.11 -0.50 0.00 -0.01 0.00 0.00 64.34 63.46 2crg n VAL 60 Cb 0.66 -1.99 -0.04 0.00 -0.91 0.00 0.00 33.84 31.56 2crg n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2crg n GLN 61 N -4.16 0.47 -1.25 5.55 6.02 -1.26 -4.90 117.38 117.85 2crg n GLN 61 Ca -0.32 0.16 -0.31 0.00 -0.01 0.00 0.00 57.00 56.52 2crg n GLN 61 Cb 0.66 -1.44 0.10 0.00 1.02 0.00 0.00 30.24 30.58 2crg n GLN 61 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2crg s GLN 62 N -0.73 2.13 0.44 -1.09 -1.52 -1.26 -5.07 119.66 112.57 2crg s GLN 62 Ca 0.71 1.29 0.03 0.00 -1.95 0.00 0.00 55.36 55.44 2crg s GLN 62 Cb -0.95 -1.88 -0.04 0.00 -0.22 0.00 0.00 33.01 29.93 2crg s GLN 62 CO 0.56 -1.75 0.04 0.15 -0.25 0.00 0.00 175.29 174.04 2crg s LYS 63 N -4.70 2.00 0.19 2.91 -0.14 -1.26 -5.03 119.74 113.71 2crg s LYS 63 Ca 0.63 -2.21 -0.12 0.00 -1.36 0.00 0.00 55.97 52.91 2crg s LYS 63 Cb -0.19 -1.24 0.23 0.00 -1.68 0.00 0.00 37.83 34.94 2crg s LYS 63 CO 0.54 -0.29 1.70 0.07 -0.76 0.00 0.00 175.35 176.61 2crg h ARG 64 N 1.66 0.19 -1.90 1.68 0.11 -2.05 -1.14 114.38 112.93 2crg h ARG 64 Ca -0.42 -0.01 -0.16 0.00 0.10 0.00 0.00 59.98 59.49 2crg h ARG 64 Cb 1.28 -0.04 -0.06 0.00 1.11 0.00 0.00 29.97 32.25 2crg h ARG 64 CO 0.71 0.13 0.03 0.45 0.10 0.00 0.00 179.97 181.39 2crg n SER 65 N -5.16 5.67 -4.20 0.08 2.88 -1.26 -4.73 113.62 106.90 2crg n SER 65 Ca 0.07 -2.64 -0.40 0.00 -1.33 0.00 0.00 58.87 54.57 2crg n SER 65 Cb 0.28 -1.20 -0.05 0.00 -0.75 0.00 0.00 64.21 62.50 2crg n SER 65 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2crg s GLY 66 N 1.46 2.96 0.54 0.46 0.00 -0.43 -5.06 107.32 107.24 2crg s GLY 66 Ca 0.28 -3.67 -0.09 0.00 0.00 0.00 0.00 44.72 41.24 2crg s GLY 66 CO -0.02 1.22 0.47 -1.55 0.00 0.00 0.00 173.10 173.22 2crg n PRO 67 N 2.86 -1.96 -2.64 2.90 -0.04 -1.26 -4.94 135.00 129.93 2crg n PRO 67 Ca 0.19 -0.76 -0.40 0.00 -0.04 0.00 0.00 63.50 62.48 2crg n PRO 67 Cb 0.39 -0.71 -0.05 0.00 -0.04 0.00 0.00 33.50 33.09 2crg n PRO 67 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2crg s SER 68 N -2.78 7.48 0.20 3.54 0.15 -1.26 -5.05 113.70 115.97 2crg s SER 68 Ca 0.31 2.04 0.01 0.00 0.70 0.00 0.00 55.95 59.01 2crg s SER 68 Cb -0.03 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 2crg s SER 68 CO 0.24 0.00 0.37 -0.44 1.20 0.00 0.00 173.24 174.60 2crg s SER 69 N -0.82 6.35 0.00 5.45 0.01 -1.26 -5.25 113.70 118.18 2crg s SER 69 Ca 0.44 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.98 2crg s SER 69 Cb -0.28 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 63.99 2crg s SER 69 CO 0.35 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.57