#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 7.40 0.07 1.61 0.01 -1.26 -5.06 113.70 116.47 2crg s SER 2 Ca 0.00 2.09 0.04 0.00 1.31 0.00 0.00 55.95 59.39 2crg s SER 2 Cb 0.00 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 2crg s SER 2 CO 0.00 -0.03 -0.12 -0.44 0.41 0.00 0.00 173.24 173.06 2crg s SER 3 N -1.11 1.44 0.00 2.44 0.01 -1.26 -5.01 113.70 110.22 2crg s SER 3 Ca 0.44 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2crg s SER 3 Cb -0.28 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 65.93 2crg s SER 3 CO 0.35 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.48 2crg n GLY 4 N 1.25 -0.11 3.03 3.44 0.00 -1.26 -5.13 105.19 106.41 2crg n GLY 4 Ca -0.21 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 2crg n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crg s SER 5 N 0.00 4.77 0.01 1.61 0.01 -1.26 -5.10 113.70 113.74 2crg s SER 5 Ca 0.00 -2.11 -0.26 0.00 1.31 0.00 0.00 55.95 54.89 2crg s SER 5 Cb 0.00 -1.63 -0.04 0.00 0.21 0.00 0.00 66.02 64.55 2crg s SER 5 CO 0.00 -0.37 0.83 -0.44 0.41 0.00 0.00 173.24 173.66 2crg s SER 6 N 0.94 7.22 0.00 2.44 0.01 -1.26 -5.03 113.70 118.03 2crg s SER 6 Ca 0.10 1.47 0.00 0.00 1.31 0.00 0.00 55.95 58.83 2crg s SER 6 Cb -0.19 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2crg s SER 6 CO -0.08 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.08 2crg n GLY 7 N 2.71 5.80 3.31 3.44 0.00 -1.26 -5.17 105.19 114.02 2crg n GLY 7 Ca 0.01 -1.53 -0.08 0.00 0.00 0.00 0.00 46.02 44.41 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 1.36 0.37 -0.00 1.61 1.00 -1.26 -4.89 119.30 117.49 2crg s MET 8 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 55.69 56.71 2crg s MET 8 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 34.83 35.12 2crg s MET 8 CO 0.00 -0.22 0.00 0.39 0.00 0.00 0.00 175.02 175.19 2crg n GLU 9 N 5.10 -2.92 -2.38 2.03 1.02 -1.26 -4.78 120.64 117.45 2crg n GLU 9 Ca -0.13 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.61 2crg n GLU 9 Cb 0.51 -4.48 -0.03 0.00 -0.02 0.00 0.00 31.44 27.42 2crg n GLU 9 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2crg s GLU 10 N -4.88 3.03 -0.23 3.49 2.12 -1.26 -4.97 118.70 116.00 2crg s GLU 10 Ca 0.00 0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.42 2crg s GLU 10 Cb 0.00 -4.24 0.03 0.00 0.26 0.00 0.00 34.13 30.19 2crg s GLU 10 CO 0.00 -2.30 -0.12 -1.58 -0.54 0.00 0.00 175.26 170.72 2crg s TRP 11 N 6.77 3.04 0.56 5.30 0.52 -1.26 -5.09 118.94 128.77 2crg s TRP 11 Ca 0.46 -1.82 0.00 0.00 0.02 0.00 0.00 56.10 54.76 2crg s TRP 11 Cb -0.10 -1.97 0.03 0.00 -1.15 0.00 0.00 33.47 30.28 2crg s TRP 11 CO 0.18 -0.80 0.79 0.45 0.02 0.00 0.00 176.95 177.59 2crg s SER 12 N 1.24 5.28 0.14 2.95 0.15 -1.26 -4.87 113.70 117.34 2crg s SER 12 Ca -0.01 0.07 -0.25 0.00 0.70 0.00 0.00 55.95 56.45 2crg s SER 12 Cb -0.16 -0.96 -0.00 0.00 -1.71 0.00 0.00 66.02 63.18 2crg s SER 12 CO -0.07 -1.15 1.61 0.00 1.20 0.00 0.00 173.24 174.83 2crg h ALA 13 N 0.03 -0.34 0.23 5.45 0.00 -1.99 0.16 119.26 122.80 2crg h ALA 13 Ca -0.43 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.53 2crg h ALA 13 Cb 1.29 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 19.70 2crg h ALA 13 CO 0.53 -0.79 -0.29 1.03 0.00 0.00 0.00 179.25 179.73 2crg h SER 14 N -0.36 -0.81 -0.79 0.00 0.87 -2.00 -2.30 113.55 108.15 2crg h SER 14 Ca 0.11 0.08 0.14 0.00 -1.23 0.00 0.00 61.79 60.90 2crg h SER 14 Cb 0.55 0.29 -0.09 0.00 -0.44 0.00 0.00 62.40 62.70 2crg h SER 14 CO -0.40 -0.41 0.35 -0.33 -0.53 0.00 0.00 176.83 175.51 2crg h GLU 15 N -0.58 0.49 0.02 2.24 3.07 -1.85 -1.59 114.58 116.38 2crg h GLU 15 Ca 0.00 -0.03 0.03 0.00 -0.50 0.00 0.00 59.36 58.86 2crg h GLU 15 Cb 0.56 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.31 2crg h GLU 15 CO -0.10 0.32 -0.37 0.00 -1.40 0.00 0.00 179.01 177.46 2crg h ALA 16 N 1.55 -0.58 -0.43 3.43 0.00 -0.15 -2.21 119.26 120.87 2crg h ALA 16 Ca 0.43 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.36 2crg h ALA 16 Cb 0.64 0.65 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 2crg h ALA 16 CO -0.39 -0.90 0.15 0.00 0.00 0.00 0.00 179.25 178.10 2crg h LEU 18 N 0.31 0.40 0.40 0.00 3.38 -0.77 -2.13 115.31 116.90 2crg h LEU 18 Ca 0.20 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 2crg h LEU 18 Cb 0.20 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2crg h LEU 18 CO -0.21 0.08 -0.19 0.15 0.09 0.00 0.00 178.44 178.36 2crg h PHE 19 N 0.36 -0.50 -0.89 1.13 3.57 -0.66 -1.08 116.94 118.87 2crg h PHE 19 Ca 0.59 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.25 2crg h PHE 19 Cb 1.55 0.17 -0.17 0.00 2.79 0.00 0.00 35.95 40.29 2crg h PHE 19 CO -0.00 -0.31 -0.24 0.39 -2.23 0.00 0.00 178.31 175.92 2crg n GLU 20 N -4.43 -0.09 0.12 1.11 1.02 -0.85 0.23 120.64 117.75 2crg n GLU 20 Ca -0.07 1.39 -0.02 0.00 -0.02 0.00 0.00 57.16 58.44 2crg n GLU 20 Cb 0.21 -2.07 0.20 0.00 -0.02 0.00 0.00 31.44 29.75 2crg n GLU 20 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2crg h GLU 21 N 0.00 0.12 -0.12 3.49 4.11 -1.50 -2.90 114.58 117.78 2crg h GLU 21 Ca 0.42 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.76 2crg h GLU 21 Cb 0.64 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2crg h GLU 21 CO -0.92 0.62 0.03 0.00 0.07 0.00 0.00 179.01 178.82 2crg h ALA 22 N 1.36 1.83 0.00 1.06 0.00 0.43 0.41 119.26 124.35 2crg h ALA 22 Ca -0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2crg h ALA 22 Cb 0.97 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2crg h ALA 22 CO 0.08 0.14 -0.67 1.25 0.00 0.00 0.00 179.25 180.05 2crg h LEU 23 N 0.17 0.00 0.04 0.00 5.85 -0.99 -1.87 115.31 118.50 2crg h LEU 23 Ca 0.04 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.48 2crg h LEU 23 Cb 0.07 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2crg h LEU 23 CO -0.00 0.43 -1.55 -0.33 -0.34 0.00 0.00 178.44 176.66 2crg h GLU 24 N 0.00 0.08 0.00 1.25 5.08 -1.12 -3.01 114.58 116.85 2crg h GLU 24 Ca -0.04 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2crg h GLU 24 Cb 1.36 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2crg h GLU 24 CO 0.05 0.80 -0.15 -0.22 -1.00 0.00 0.00 179.01 178.49 2crg h LYS 25 N 0.02 0.00 0.08 2.33 3.11 -0.32 -3.43 116.57 118.37 2crg h LYS 25 Ca -0.23 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.61 2crg h LYS 25 Cb 1.97 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.20 2crg h LYS 25 CO 0.11 0.00 -0.04 1.88 -2.81 0.00 0.00 179.45 178.59 2crg h TYR 26 N -0.63 -0.10 0.00 1.91 0.05 -1.55 -3.51 116.97 113.13 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 0.15 0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.92 2crg h TYR 26 CO -0.06 -0.01 0.00 0.41 -1.05 0.00 0.00 178.16 177.45 2crg n GLY 27 N 1.47 0.21 1.92 3.88 0.00 -0.92 -4.71 105.19 107.04 2crg n GLY 27 Ca -0.02 -1.98 -0.07 0.00 0.00 0.00 0.00 46.02 43.95 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 1.48 -3.42 1.61 5.02 -1.26 -4.49 118.16 117.10 2crg n LYS 28 Ca 0.00 -0.62 -0.26 0.00 -2.02 0.00 0.00 58.31 55.41 2crg n LYS 28 Cb 0.00 -1.68 -0.08 0.00 -0.02 0.00 0.00 35.03 33.24 2crg n LYS 28 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2crg n ASP 29 N 2.28 2.69 -0.19 4.39 9.92 -1.26 -4.92 116.55 129.45 2crg n ASP 29 Ca 0.27 -3.20 0.27 0.00 -0.53 0.00 0.00 54.79 51.59 2crg n ASP 29 Cb 0.69 -0.67 0.68 0.00 -0.64 0.00 0.00 41.12 41.18 2crg n ASP 29 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2crg h PHE 30 N 4.31 0.12 0.67 1.24 0.04 -1.92 -1.66 116.94 119.75 2crg h PHE 30 Ca 0.17 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.91 2crg h PHE 30 Cb 0.73 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.84 2crg h PHE 30 CO 0.62 0.03 -0.40 -0.97 -0.60 0.00 0.00 178.31 176.98 2crg h ASN 31 N 0.09 -1.02 -0.34 2.17 -1.24 -1.91 -1.04 115.58 112.30 2crg h ASN 31 Ca 0.44 0.06 0.07 0.00 0.71 0.00 0.00 56.30 57.58 2crg h ASN 31 Cb 1.59 0.30 -0.07 0.00 0.73 0.00 0.00 38.32 40.87 2crg h ASN 31 CO -0.05 -0.63 -0.13 -0.78 -1.29 0.00 0.00 177.43 174.55 2crg h ASP 32 N -1.01 -0.46 0.00 1.15 1.82 -1.73 -1.38 116.42 114.81 2crg h ASP 32 Ca -0.08 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2crg h ASP 32 Cb 0.81 0.27 0.00 0.00 0.68 0.00 0.00 39.33 41.09 2crg h ASP 32 CO 0.09 -0.17 0.00 -0.38 -1.61 0.00 0.00 179.24 177.17 2crg n ILE 33 N -5.32 0.00 0.16 2.25 5.41 -1.08 -1.40 119.36 119.38 2crg n ILE 33 Ca 0.01 1.42 0.13 0.00 1.00 0.00 0.00 62.75 65.31 2crg n ILE 33 Cb 0.23 -2.27 0.38 0.00 -0.71 0.00 0.00 39.64 37.27 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 0.45 0.38 2.43 -1.13 0.18 114.38 116.69 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 -0.21 0.37 -1.51 0.00 0.00 179.97 178.62 2crg h GLN 35 N 0.00 -0.58 0.00 0.20 5.75 -0.06 -3.02 115.11 117.41 2crg h GLN 35 Ca 0.15 0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.62 2crg h GLN 35 Cb 1.84 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 30.51 2crg h GLN 35 CO -0.00 -0.39 -0.99 -0.25 -2.65 0.00 0.00 178.83 174.56 2crg n ASP 36 N -4.08 1.62 -0.09 -0.69 8.00 -0.21 -4.32 116.55 116.78 2crg n ASP 36 Ca -0.07 0.26 -0.02 0.00 0.71 0.00 0.00 54.79 55.67 2crg n ASP 36 Cb 0.24 -0.61 -0.02 0.00 -0.02 0.00 0.00 41.12 40.71 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 -4.10 -0.10 -3.62 1.24 3.01 0.45 -3.82 117.46 110.51 2crg n PHE 37 Ca -0.16 0.28 -0.29 0.00 1.01 0.00 0.00 57.45 58.29 2crg n PHE 37 Cb 0.45 -0.43 -0.13 0.00 -0.01 0.00 0.00 39.48 39.36 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 -6.79 1.83 0.22 4.37 1.43 -1.04 -4.97 118.68 113.73 2crg s LEU 38 Ca -0.03 -2.12 0.22 0.00 -1.03 0.00 0.00 54.13 51.18 2crg s LEU 38 Cb 0.02 -0.73 0.92 0.00 0.03 0.00 0.00 46.19 46.44 2crg s LEU 38 CO 0.14 -0.33 1.67 -0.81 0.23 0.00 0.00 176.35 177.24 2crg n PRO 39 N 4.19 0.16 -1.36 1.29 -0.04 -1.14 -2.85 135.00 135.25 2crg n PRO 39 Ca 0.06 0.40 -0.32 0.00 -0.04 0.00 0.00 63.50 63.60 2crg n PRO 39 Cb 0.38 -1.81 0.09 0.00 -0.04 0.00 0.00 33.50 32.12 2crg n PRO 39 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2crg n TRP 40 N -2.11 3.13 -4.10 0.54 2.14 -1.26 -4.94 117.44 110.82 2crg n TRP 40 Ca 0.02 -2.78 -0.10 0.00 2.07 0.00 0.00 57.50 56.72 2crg n TRP 40 Cb 0.21 -1.28 -0.10 0.00 -0.81 0.00 0.00 31.31 29.34 2crg n TRP 40 CO 0.00 0.00 0.00 0.15 2.07 0.00 0.00 177.69 179.91 2crg s LYS 41 N -3.73 0.65 0.51 -2.67 -0.14 -1.13 -5.09 119.74 108.14 2crg s LYS 41 Ca 0.62 -1.11 0.01 0.00 -1.36 0.00 0.00 55.97 54.13 2crg s LYS 41 Cb 0.50 -0.04 0.02 0.00 -1.68 0.00 0.00 37.83 36.62 2crg s LYS 41 CO 0.01 -0.04 0.73 -1.12 -0.76 0.00 0.00 175.35 174.17 2crg s SER 42 N -2.57 5.45 0.03 2.83 0.01 -1.26 -4.92 113.70 113.26 2crg s SER 42 Ca 0.03 0.04 -0.29 0.00 1.31 0.00 0.00 55.95 57.05 2crg s SER 42 Cb 0.02 -1.04 -0.17 0.00 0.21 0.00 0.00 66.02 65.04 2crg s SER 42 CO -0.05 -1.00 1.28 0.25 0.41 0.00 0.00 173.24 174.13 2crg h LEU 43 N 0.20 -0.77 -0.02 2.44 7.12 -1.99 -2.98 115.31 119.32 2crg h LEU 43 Ca -0.43 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.57 2crg h LEU 43 Cb 1.28 0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 41.61 2crg h LEU 43 CO 0.53 -0.42 -0.01 0.74 -0.13 0.00 0.00 178.44 179.15 2crg h THR 44 N -1.12 1.35 -0.88 1.05 2.02 -1.98 -3.20 112.91 110.15 2crg h THR 44 Ca -0.09 -1.04 0.11 0.00 0.77 0.00 0.00 66.41 66.16 2crg h THR 44 Cb 0.73 2.02 -0.13 0.00 -1.74 0.00 0.00 68.15 69.03 2crg h THR 44 CO 0.15 0.28 -0.42 -1.20 0.37 0.00 0.00 175.52 174.70 2crg n SER 45 N -4.85 -0.73 -0.29 4.18 7.64 -1.25 0.17 113.62 118.49 2crg n SER 45 Ca -0.08 1.55 0.08 0.00 1.01 0.00 0.00 58.87 61.43 2crg n SER 45 Cb 0.24 -0.29 0.30 0.00 -1.01 0.00 0.00 64.21 63.45 2crg n SER 45 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2crg h ILE 46 N 0.00 0.95 0.29 0.44 2.04 -1.57 -2.42 117.51 117.24 2crg h ILE 46 Ca 0.23 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2crg h ILE 46 Cb 0.45 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 2crg h ILE 46 CO -0.85 0.16 -0.14 0.40 0.00 0.00 0.00 178.15 177.72 2crg h ILE 47 N 0.88 0.73 -0.76 -0.67 2.04 0.18 -2.98 117.51 116.91 2crg h ILE 47 Ca 0.43 -0.10 0.16 0.00 1.00 0.00 0.00 64.86 66.35 2crg h ILE 47 Cb 0.46 0.78 -0.14 0.00 -0.74 0.00 0.00 36.82 37.18 2crg h ILE 47 CO -0.19 0.02 -0.15 -0.62 0.00 0.00 0.00 178.15 177.21 2crg n GLU 48 N -5.24 -0.07 -0.26 2.37 1.02 -0.34 0.21 120.64 118.33 2crg n GLU 48 Ca -0.10 1.18 0.06 0.00 -0.02 0.00 0.00 57.16 58.28 2crg n GLU 48 Cb 0.19 -1.78 0.20 0.00 -0.02 0.00 0.00 31.44 30.02 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 0.49 -1.05 -0.32 5.03 -1.57 0.11 116.97 119.66 2crg h TYR 49 Ca 0.38 0.04 0.28 0.00 2.58 0.00 0.00 58.73 62.01 2crg h TYR 49 Cb 0.63 -0.10 -0.11 0.00 1.55 0.00 0.00 36.73 38.71 2crg h TYR 49 CO -0.55 0.03 0.66 -0.92 -1.32 0.00 0.00 178.16 176.06 2crg h TYR 50 N 0.41 0.77 0.11 -3.82 3.20 0.23 0.67 116.97 118.54 2crg h TYR 50 Ca 0.43 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 62.13 2crg h TYR 50 Cb 0.68 -0.22 0.01 0.00 1.54 0.00 0.00 36.73 38.74 2crg h TYR 50 CO -0.18 0.03 -0.94 1.88 -1.64 0.00 0.00 178.16 177.31 2crg h TYR 51 N 0.42 0.44 0.00 -3.82 0.05 -0.83 -2.71 116.97 110.52 2crg h TYR 51 Ca 0.64 -0.32 -0.00 0.00 0.05 0.00 0.00 58.73 59.09 2crg h TYR 51 Cb 1.52 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 39.24 2crg h TYR 51 CO -0.00 1.36 -0.01 0.00 -1.05 0.00 0.00 178.16 178.46 2crg h MET 52 N -0.44 0.00 0.10 4.88 -0.00 0.20 0.23 114.93 119.89 2crg h MET 52 Ca -0.19 0.00 -0.34 0.00 -0.00 0.00 0.00 59.70 59.17 2crg h MET 52 Cb 1.60 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.18 2crg h MET 52 CO 0.09 0.01 -1.83 2.35 -0.00 0.00 0.00 176.91 177.53 2crg h TRP 53 N 0.00 0.39 0.03 -0.10 7.01 0.20 -3.18 115.95 120.30 2crg h TRP 53 Ca -0.00 -0.28 -0.24 0.00 2.11 0.00 0.00 58.89 60.48 2crg h TRP 53 Cb 0.18 -0.02 0.01 0.00 -2.10 0.00 0.00 29.16 27.23 2crg h TRP 53 CO 0.00 1.53 -1.02 -0.22 -2.79 0.00 0.00 178.44 175.93 2crg h LYS 54 N 0.06 0.40 -0.38 2.65 1.63 -1.08 -3.27 116.57 116.58 2crg h LYS 54 Ca -0.35 -0.48 -0.13 0.00 -0.85 0.00 0.00 60.65 58.84 2crg h LYS 54 Cb 2.03 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 33.80 2crg h LYS 54 CO 0.11 1.15 -0.28 1.79 -3.45 0.00 0.00 179.45 178.76 2crg h THR 55 N 0.20 1.28 -3.74 1.00 1.35 -0.73 -3.45 112.91 108.82 2crg h THR 55 Ca -0.10 -1.43 -0.57 0.00 -0.55 0.00 0.00 66.41 63.77 2crg h THR 55 Cb 1.68 1.29 0.16 0.00 -1.73 0.00 0.00 68.15 69.54 2crg h THR 55 CO 0.18 0.48 0.30 0.35 -0.25 0.00 0.00 175.52 176.57 2crg n THR 56 N -4.09 3.91 -0.86 6.82 -2.24 -1.20 -4.84 114.28 111.78 2crg n THR 56 Ca -0.01 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.18 2crg n THR 56 Cb 0.47 -1.32 -0.10 0.00 -2.10 0.00 0.00 70.33 67.28 2crg n THR 56 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2crg n ASP 57 N -0.96 5.40 -0.20 3.42 5.75 -1.26 -4.64 116.55 124.06 2crg n ASP 57 Ca 0.13 -2.53 -0.10 0.00 -0.01 0.00 0.00 54.79 52.28 2crg n ASP 57 Cb 0.46 -1.30 -0.06 0.00 -1.03 0.00 0.00 41.12 39.19 2crg n ASP 57 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 2crg h ARG 58 N 2.29 -0.26 -3.17 0.11 1.12 -1.88 -3.17 114.38 109.41 2crg h ARG 58 Ca 0.15 0.02 -0.65 0.00 -1.11 0.00 0.00 59.98 58.38 2crg h ARG 58 Cb 1.28 0.06 -0.40 0.00 -0.01 0.00 0.00 29.97 30.90 2crg h ARG 58 CO 0.22 -0.17 -0.40 -0.47 -3.11 0.00 0.00 179.97 176.04 2crg s TYR 59 N -5.75 3.69 0.05 2.20 6.14 -1.26 -5.07 117.35 117.36 2crg s TYR 59 Ca -0.14 -3.23 -0.14 0.00 0.64 0.00 0.00 57.07 54.20 2crg s TYR 59 Cb 0.11 -2.91 -0.06 0.00 0.42 0.00 0.00 41.96 39.53 2crg s TYR 59 CO 0.64 -0.62 0.45 0.54 0.64 0.00 0.00 175.55 177.20 2crg s VAL 60 N -1.41 4.98 0.50 3.14 0.11 -1.20 -5.10 120.40 121.43 2crg s VAL 60 Ca 0.26 0.78 0.03 0.00 -2.93 0.00 0.00 61.98 60.12 2crg s VAL 60 Cb -0.06 -3.72 -0.01 0.00 -1.53 0.00 0.00 36.38 31.06 2crg s VAL 60 CO -0.15 0.44 0.12 -1.10 -3.33 0.00 0.00 175.10 171.09 2crg s GLN 61 N -1.46 2.19 -0.42 1.54 -0.21 -1.26 -5.05 119.66 115.00 2crg s GLN 61 Ca 0.29 -2.22 -0.45 0.00 0.02 0.00 0.00 55.36 53.01 2crg s GLN 61 Cb -0.16 -1.73 -0.19 0.00 1.00 0.00 0.00 33.01 31.93 2crg s GLN 61 CO 0.16 -0.37 1.64 0.94 -2.12 0.00 0.00 175.29 175.54 2crg n GLN 62 N -1.36 0.39 -4.23 2.91 -0.06 -1.26 -4.94 117.38 108.82 2crg n GLN 62 Ca -0.12 0.14 -0.18 0.00 -2.00 0.00 0.00 57.00 54.85 2crg n GLN 62 Cb 0.66 -1.70 -0.15 0.00 -4.06 0.00 0.00 30.24 24.99 2crg n GLN 62 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 2crg s LYS 63 N 3.14 0.66 0.58 3.69 0.00 -1.26 -5.13 119.74 121.41 2crg s LYS 63 Ca 1.03 -0.20 -0.19 0.00 0.00 0.00 0.00 55.97 56.60 2crg s LYS 63 Cb -1.35 -0.65 -0.06 0.00 0.00 0.00 0.00 37.83 35.77 2crg s LYS 63 CO 0.76 0.08 0.98 2.89 0.00 0.00 0.00 175.35 180.05 2crg n ARG 64 N 3.28 0.98 -3.71 1.78 1.85 -1.26 -5.02 116.66 114.57 2crg n ARG 64 Ca -0.17 0.38 -0.11 0.00 -1.00 0.00 0.00 57.85 56.94 2crg n ARG 64 Cb 0.55 -2.16 -0.11 0.00 -1.05 0.00 0.00 32.46 29.69 2crg n ARG 64 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2crg s SER 65 N -1.16 -0.45 1.09 2.89 0.15 -1.26 -5.16 113.70 109.79 2crg s SER 65 Ca 0.74 0.81 -0.12 0.00 0.70 0.00 0.00 55.95 58.07 2crg s SER 65 Cb -0.43 0.70 0.24 0.00 -1.71 0.00 0.00 66.02 64.82 2crg s SER 65 CO 0.49 -0.18 1.06 -0.83 1.20 0.00 0.00 173.24 174.97 2crg s GLY 66 N 1.27 1.56 0.64 9.45 0.00 -1.26 -4.99 107.32 114.00 2crg s GLY 66 Ca -0.09 -0.13 -0.15 0.00 0.00 0.00 0.00 44.72 44.35 2crg s GLY 66 CO -0.11 0.53 1.11 2.56 0.00 0.00 0.00 173.10 177.19 2crg s PRO 67 N -4.63 2.87 0.24 2.90 0.04 -1.26 -5.06 135.00 130.11 2crg s PRO 67 Ca 0.67 1.41 0.09 0.00 0.04 0.00 0.00 61.00 63.22 2crg s PRO 67 Cb -0.23 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2crg s PRO 67 CO 0.62 -1.20 -0.03 -1.54 0.04 0.00 0.00 177.00 174.89 2crg s SER 68 N -2.50 4.47 -0.03 6.66 1.04 -1.26 -5.05 113.70 117.02 2crg s SER 68 Ca 0.68 -0.62 -0.22 0.00 0.48 0.00 0.00 55.95 56.26 2crg s SER 68 Cb -0.21 -0.81 -0.27 0.00 0.10 0.00 0.00 66.02 64.83 2crg s SER 68 CO 0.40 0.03 0.98 -1.28 0.98 0.00 0.00 173.24 174.35 2crg h SER 69 N 2.19 0.44 0.00 7.02 0.87 -2.07 -3.57 113.55 118.42 2crg h SER 69 Ca -0.45 -0.86 0.00 0.00 -1.23 0.00 0.00 61.79 59.25 2crg h SER 69 Cb 1.24 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2crg h SER 69 CO 0.59 1.26 0.00 0.61 -0.53 0.00 0.00 176.83 178.76