#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 0.64 0.93 1.61 1.04 -1.26 -5.14 113.70 111.52 2crg s SER 2 Ca 0.00 -0.10 -0.13 0.00 0.48 0.00 0.00 55.95 56.20 2crg s SER 2 Cb 0.00 -0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.04 2crg s SER 2 CO 0.00 0.05 0.40 -1.54 0.98 0.00 0.00 173.24 173.13 2crg n SER 3 N 3.06 -2.06 0.00 7.02 3.41 -1.26 -4.98 113.62 118.82 2crg n SER 3 Ca -0.14 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 2crg n SER 3 Cb 0.57 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 2crg n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crg n GLY 4 N 1.54 -1.84 3.59 5.00 0.00 -1.26 -4.85 105.19 107.37 2crg n GLY 4 Ca 0.07 0.80 -0.42 0.00 0.00 0.00 0.00 46.02 46.46 2crg n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2crg n SER 5 N 0.00 3.16 -3.66 1.61 7.64 -1.26 -1.85 113.62 119.26 2crg n SER 5 Ca 0.00 0.13 -0.24 0.00 1.01 0.00 0.00 58.87 59.77 2crg n SER 5 Cb 0.00 -1.56 0.06 0.00 -1.01 0.00 0.00 64.21 61.71 2crg n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2crg n SER 6 N 12.12 -4.99 0.00 6.43 7.64 -1.26 -4.90 113.62 128.66 2crg n SER 6 Ca 0.31 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.56 2crg n SER 6 Cb 0.46 -4.69 0.00 0.00 -1.01 0.00 0.00 64.21 58.96 2crg n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crg n GLY 7 N -1.78 1.40 3.57 0.23 0.00 -0.77 -5.03 105.19 102.81 2crg n GLY 7 Ca -0.05 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 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 0.77 2.58 0.28 1.61 1.00 -1.26 -4.95 119.30 119.33 2crg s MET 8 Ca 0.00 1.37 -0.09 0.00 0.00 0.00 0.00 55.69 56.97 2crg s MET 8 Cb 0.00 -4.45 -0.07 0.00 0.00 0.00 0.00 34.83 30.31 2crg s MET 8 CO 0.00 -2.75 0.60 -1.21 0.00 0.00 0.00 175.02 171.66 2crg s GLU 9 N 7.29 3.76 -0.29 2.03 2.02 -1.26 -4.93 118.70 127.31 2crg s GLU 9 Ca 0.90 0.25 -0.08 0.00 0.02 0.00 0.00 54.97 56.06 2crg s GLU 9 Cb -0.20 -2.59 -0.00 0.00 0.10 0.00 0.00 34.13 31.44 2crg s GLU 9 CO 0.28 0.22 0.11 -1.83 0.02 0.00 0.00 175.26 174.05 2crg s GLU 10 N -3.21 3.27 -0.24 1.61 -1.05 -1.26 -5.05 118.70 112.77 2crg s GLU 10 Ca 0.47 -0.75 -0.03 0.00 -0.15 0.00 0.00 54.97 54.51 2crg s GLU 10 Cb -0.11 -3.44 0.10 0.00 -0.44 0.00 0.00 34.13 30.25 2crg s GLU 10 CO 0.25 -0.40 0.22 -1.58 0.95 0.00 0.00 175.26 174.71 2crg s TRP 11 N 1.56 -0.23 0.95 4.83 0.52 -1.26 -5.08 118.94 120.23 2crg s TRP 11 Ca 0.04 -0.06 -0.11 0.00 0.02 0.00 0.00 56.10 55.99 2crg s TRP 11 Cb -0.17 -0.48 0.14 0.00 -1.15 0.00 0.00 33.47 31.82 2crg s TRP 11 CO 0.04 -0.72 1.02 0.45 0.02 0.00 0.00 176.95 177.76 2crg n SER 12 N 5.31 -0.20 -0.11 2.95 2.88 -1.26 -4.52 113.62 118.66 2crg n SER 12 Ca -0.05 0.35 -0.10 0.00 -1.33 0.00 0.00 58.87 57.75 2crg n SER 12 Cb 0.48 -1.42 -0.07 0.00 -0.75 0.00 0.00 64.21 62.44 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 -1.92 -0.64 -0.60 -1.46 0.00 -2.01 0.20 119.26 112.83 2crg h ALA 13 Ca -0.45 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.52 2crg h ALA 13 Cb 1.28 1.03 -0.05 0.00 0.00 0.00 0.00 17.79 20.05 2crg h ALA 13 CO 0.41 -0.85 0.32 0.77 0.00 0.00 0.00 179.25 179.90 2crg h SER 14 N -0.28 0.46 -0.41 0.00 0.02 -2.00 -2.31 113.55 109.03 2crg h SER 14 Ca 0.06 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.12 2crg h SER 14 Cb 0.43 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 62.84 2crg h SER 14 CO -0.45 0.30 -0.05 -0.33 -1.14 0.00 0.00 176.83 175.16 2crg h GLU 15 N 0.59 0.05 0.37 3.45 5.08 -1.57 0.86 114.58 123.42 2crg h GLU 15 Ca 0.27 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 2crg h GLU 15 Cb 0.17 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2crg h GLU 15 CO -0.18 0.04 -0.24 0.00 -1.00 0.00 0.00 179.01 177.63 2crg h ALA 16 N 1.39 -1.06 -0.47 3.43 0.00 -0.14 -2.93 119.26 119.48 2crg h ALA 16 Ca 0.20 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2crg h ALA 16 Cb 0.30 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 2crg h ALA 16 CO -0.38 -1.05 -0.38 0.00 0.00 0.00 0.00 179.25 177.44 2crg n LEU 18 N -5.42 -0.59 -0.11 0.00 4.77 0.28 -0.61 117.00 115.34 2crg n LEU 18 Ca 0.01 1.47 -0.10 0.00 -0.03 0.00 0.00 56.01 57.36 2crg n LEU 18 Cb 0.35 -0.32 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 2crg n LEU 18 CO 0.03 -1.30 0.50 0.15 -1.33 0.00 0.00 177.39 175.44 2crg h PHE 19 N 0.00 -1.19 -0.99 -1.77 3.57 -1.07 0.23 116.94 115.72 2crg h PHE 19 Ca 0.27 0.06 0.35 0.00 3.53 0.00 0.00 57.97 62.18 2crg h PHE 19 Cb 0.48 0.56 -0.16 0.00 2.79 0.00 0.00 35.95 39.62 2crg h PHE 19 CO -0.75 -0.34 0.51 0.93 -2.23 0.00 0.00 178.31 176.43 2crg h GLU 20 N -0.26 0.19 0.02 1.11 5.08 -0.84 0.21 114.58 120.07 2crg h GLU 20 Ca 0.05 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2crg h GLU 20 Cb 0.41 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2crg h GLU 20 CO -0.42 0.12 -0.01 0.93 -1.00 0.00 0.00 179.01 178.63 2crg h GLU 21 N 0.19 -0.02 -0.79 2.33 4.39 -0.29 -3.16 114.58 117.23 2crg h GLU 21 Ca 0.76 0.00 0.13 0.00 0.34 0.00 0.00 59.36 60.59 2crg h GLU 21 Cb 1.81 0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 30.33 2crg h GLU 21 CO -0.68 0.45 -0.34 0.00 -1.16 0.00 0.00 179.01 177.28 2crg h ALA 22 N 0.46 0.11 -0.12 3.43 0.00 0.24 1.36 119.26 124.74 2crg h ALA 22 Ca -0.00 0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2crg h ALA 22 Cb 0.48 0.87 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2crg h ALA 22 CO 0.00 -0.62 0.12 1.25 0.00 0.00 0.00 179.25 180.00 2crg h LEU 23 N -0.08 0.00 0.17 0.00 5.85 -1.48 0.50 115.31 120.28 2crg h LEU 23 Ca 0.30 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.76 2crg h LEU 23 Cb 0.58 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.63 2crg h LEU 23 CO -0.83 0.00 -1.20 -0.33 -0.34 0.00 0.00 178.44 175.73 2crg h GLU 24 N 0.00 0.36 0.12 1.25 4.39 0.16 -3.07 114.58 117.79 2crg h GLU 24 Ca 0.06 -0.61 -0.01 0.00 0.34 0.00 0.00 59.36 59.14 2crg h GLU 24 Cb 0.31 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2crg h GLU 24 CO -0.00 1.29 -0.06 -0.22 -1.16 0.00 0.00 179.01 178.86 2crg h LYS 25 N -0.19 -0.15 0.00 2.33 3.64 0.46 -3.43 116.57 119.23 2crg h LYS 25 Ca -0.23 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2crg h LYS 25 Cb 1.84 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.70 2crg h LYS 25 CO 0.16 -0.10 -0.03 1.88 -2.27 0.00 0.00 179.45 179.09 2crg h TYR 26 N -0.67 0.00 0.00 1.91 0.05 -0.24 -3.51 116.97 114.51 2crg h TYR 26 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2crg h TYR 26 Cb 0.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.86 2crg h TYR 26 CO 0.02 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.54 2crg n GLY 27 N 1.87 0.22 1.81 3.88 0.00 -0.77 -4.78 105.19 107.42 2crg n GLY 27 Ca -0.00 -1.77 -0.06 0.00 0.00 0.00 0.00 46.02 44.19 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 1.43 -2.79 1.61 5.02 -1.26 -4.37 118.16 117.79 2crg n LYS 28 Ca 0.00 -0.50 -0.26 0.00 -2.02 0.00 0.00 58.31 55.52 2crg n LYS 28 Cb 0.00 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.44 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 2.09 4.36 -0.41 4.39 9.92 -1.26 -4.90 116.55 130.74 2crg n ASP 29 Ca 0.22 -3.65 0.33 0.00 -0.53 0.00 0.00 54.79 51.15 2crg n ASP 29 Cb 0.67 -0.53 0.53 0.00 -0.64 0.00 0.00 41.12 41.15 2crg n ASP 29 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2crg n PHE 30 N -0.30 0.29 0.36 1.24 3.72 -1.26 0.12 117.46 121.62 2crg n PHE 30 Ca 0.33 0.29 -0.17 0.00 -0.05 0.00 0.00 57.45 57.85 2crg n PHE 30 Cb 0.50 -0.67 -0.09 0.00 -0.94 0.00 0.00 39.48 38.28 2crg n PHE 30 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2crg h ASN 31 N 0.00 -0.75 -0.85 4.37 2.35 -1.94 0.22 115.58 118.98 2crg h ASN 31 Ca 0.65 0.01 0.13 0.00 -0.55 0.00 0.00 56.30 56.53 2crg h ASN 31 Cb 2.31 0.19 -0.06 0.00 0.05 0.00 0.00 38.32 40.81 2crg h ASN 31 CO -0.20 -0.50 0.55 -0.78 -1.65 0.00 0.00 177.43 174.85 2crg h ASP 32 N -0.94 0.63 0.04 5.81 1.82 0.44 -0.64 116.42 123.58 2crg h ASP 32 Ca -0.09 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.58 2crg h ASP 32 Cb 0.70 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.61 2crg h ASP 32 CO 0.15 0.34 -0.02 0.40 -1.61 0.00 0.00 179.24 178.50 2crg h ILE 33 N 0.68 0.00 -0.16 2.25 2.04 -1.19 -3.20 117.51 117.92 2crg h ILE 33 Ca 0.41 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 66.27 2crg h ILE 33 Cb 0.64 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2crg h ILE 33 CO -0.17 0.00 0.71 -0.09 0.00 0.00 0.00 178.15 178.60 2crg h ARG 34 N -0.10 0.00 0.44 2.37 2.43 -0.51 0.71 114.38 119.72 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 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 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 4.15 -1.11 -2.92 115.11 114.86 2crg h GLN 35 Ca 0.08 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.54 2crg h GLN 35 Cb 1.50 0.13 0.00 0.00 0.21 0.00 0.00 27.48 29.32 2crg h GLN 35 CO -0.00 -0.38 -0.73 -0.25 -1.93 0.00 0.00 178.83 175.54 2crg n ASP 36 N -3.99 1.62 -0.12 -0.69 9.92 -0.44 -4.25 116.55 118.60 2crg n ASP 36 Ca -0.07 0.27 -0.03 0.00 -0.53 0.00 0.00 54.79 54.42 2crg n ASP 36 Cb 0.23 -0.64 -0.03 0.00 -0.64 0.00 0.00 41.12 40.04 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 -4.12 -0.13 -3.62 1.24 3.01 0.12 -3.74 117.46 110.22 2crg n PHE 37 Ca -0.10 0.37 -0.29 0.00 1.01 0.00 0.00 57.45 58.44 2crg n PHE 37 Cb 0.38 -0.43 -0.14 0.00 -0.01 0.00 0.00 39.48 39.28 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 -7.27 1.72 -0.02 4.37 1.43 -1.05 -5.00 118.68 112.86 2crg s LEU 38 Ca -0.04 -2.01 -0.26 0.00 -1.03 0.00 0.00 54.13 50.79 2crg s LEU 38 Cb 0.03 -0.69 -0.20 0.00 0.03 0.00 0.00 46.19 45.36 2crg s LEU 38 CO 0.18 -0.35 1.27 1.55 0.23 0.00 0.00 176.35 179.24 2crg h PRO 39 N 7.45 0.00 -0.15 1.29 0.13 -1.60 -3.30 132.00 135.83 2crg h PRO 39 Ca -0.05 -0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.09 2crg h PRO 39 Cb 0.98 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 2crg h PRO 39 CO 0.41 0.49 0.02 0.11 -0.23 0.00 0.00 178.00 178.80 2crg h TRP 40 N -0.48 0.04 -3.80 1.56 0.09 -1.93 -3.43 115.95 108.00 2crg h TRP 40 Ca 0.00 0.01 -0.56 0.00 0.09 0.00 0.00 58.89 58.43 2crg h TRP 40 Cb 0.49 0.01 0.13 0.00 0.08 0.00 0.00 29.16 29.87 2crg h TRP 40 CO 0.10 0.01 0.54 1.63 0.09 0.00 0.00 178.44 180.81 2crg n LYS 41 N -5.09 1.83 -1.75 0.12 4.76 -1.24 -4.99 118.16 111.80 2crg n LYS 41 Ca -0.04 0.66 -0.30 0.00 -2.87 0.00 0.00 58.31 55.77 2crg n LYS 41 Cb 0.08 -2.48 0.07 0.00 -1.84 0.00 0.00 35.03 30.86 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 -0.70 4.92 0.00 4.39 0.01 -1.26 -4.91 113.70 116.14 2crg s SER 42 Ca 0.66 1.16 -0.14 0.00 1.31 0.00 0.00 55.95 58.93 2crg s SER 42 Cb -0.46 -1.89 -0.08 0.00 0.21 0.00 0.00 66.02 63.80 2crg s SER 42 CO 0.54 -1.68 0.87 0.25 0.41 0.00 0.00 173.24 173.63 2crg h LEU 43 N -0.89 -0.43 -0.19 2.44 6.46 -1.93 -3.07 115.31 117.69 2crg h LEU 43 Ca -0.46 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.36 2crg h LEU 43 Cb 1.27 0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 41.26 2crg h LEU 43 CO 0.62 -0.21 -0.12 0.74 -0.62 0.00 0.00 178.44 178.85 2crg h THR 44 N -0.70 0.64 -0.99 1.05 2.02 -1.96 -1.70 112.91 111.27 2crg h THR 44 Ca -0.05 0.00 0.36 0.00 0.77 0.00 0.00 66.41 67.49 2crg h THR 44 Cb 0.39 0.64 -0.17 0.00 -1.74 0.00 0.00 68.15 67.27 2crg h THR 44 CO 0.08 0.00 0.43 0.28 0.37 0.00 0.00 175.52 176.68 2crg h SER 45 N -0.11 0.19 -0.18 4.18 0.02 -1.97 1.36 113.55 117.02 2crg h SER 45 Ca 0.11 0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 61.19 2crg h SER 45 Cb 0.28 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2crg h SER 45 CO -0.27 -0.34 -0.30 0.40 -1.14 0.00 0.00 176.83 175.19 2crg h ILE 46 N 0.09 1.28 0.24 3.27 2.04 -1.21 -3.22 117.51 120.00 2crg h ILE 46 Ca 0.76 -1.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 2crg h ILE 46 Cb 1.85 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 2crg h ILE 46 CO -0.76 0.46 -0.12 0.40 0.00 0.00 0.00 178.15 178.14 2crg h ILE 47 N 0.58 0.81 -0.74 -0.67 2.04 0.20 -3.20 117.51 116.52 2crg h ILE 47 Ca 0.07 -0.28 0.07 0.00 1.00 0.00 0.00 64.86 65.72 2crg h ILE 47 Cb 0.80 0.97 -0.09 0.00 -0.74 0.00 0.00 36.82 37.76 2crg h ILE 47 CO 0.07 0.06 -0.42 -0.62 0.00 0.00 0.00 178.15 177.24 2crg n GLU 48 N -5.17 -0.31 -0.31 2.37 1.02 -0.53 0.16 120.64 117.87 2crg n GLU 48 Ca -0.09 1.12 0.14 0.00 -0.02 0.00 0.00 57.16 58.31 2crg n GLU 48 Cb 0.20 -1.64 0.30 0.00 -0.02 0.00 0.00 31.44 30.27 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 0.26 -0.86 -0.32 3.20 -1.65 -0.44 116.97 117.16 2crg h TYR 49 Ca 0.14 0.06 0.10 0.00 3.14 0.00 0.00 58.73 62.16 2crg h TYR 49 Cb 0.32 0.03 -0.13 0.00 1.54 0.00 0.00 36.73 38.50 2crg h TYR 49 CO -0.75 -0.29 -0.50 -0.92 -1.64 0.00 0.00 178.16 174.07 2crg h TYR 50 N 0.13 -1.52 -0.48 -3.82 3.20 0.14 0.30 116.97 114.93 2crg h TYR 50 Ca 0.58 0.11 0.07 0.00 3.14 0.00 0.00 58.73 62.63 2crg h TYR 50 Cb 1.20 0.78 -0.06 0.00 1.54 0.00 0.00 36.73 40.19 2crg h TYR 50 CO -0.32 -0.40 0.14 1.88 -1.64 0.00 0.00 178.16 177.82 2crg h TYR 51 N -0.08 0.23 0.54 -3.82 0.05 -1.09 0.13 116.97 112.93 2crg h TYR 51 Ca 0.21 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 59.00 2crg h TYR 51 Cb 0.51 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.21 2crg h TYR 51 CO -0.89 0.05 -0.41 1.98 -1.05 0.00 0.00 178.16 177.85 2crg h MET 52 N 0.29 -0.89 -0.30 4.88 4.05 -0.52 -1.97 114.93 120.48 2crg h MET 52 Ca 0.24 0.06 0.06 0.00 -0.28 0.00 0.00 59.70 59.77 2crg h MET 52 Cb 0.28 0.20 -0.05 0.00 -0.80 0.00 0.00 31.60 31.23 2crg h MET 52 CO -0.27 -0.59 -0.03 2.35 0.23 0.00 0.00 176.91 178.60 2crg h TRP 53 N -0.92 -0.07 -0.52 1.39 7.01 -0.29 0.11 115.95 122.66 2crg h TRP 53 Ca -0.06 0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.06 2crg h TRP 53 Cb 0.78 0.08 -0.11 0.00 -2.10 0.00 0.00 29.16 27.81 2crg h TRP 53 CO -0.16 -0.08 -0.26 -0.22 -2.79 0.00 0.00 178.44 174.93 2crg h LYS 54 N 0.05 -0.13 -0.43 2.65 1.63 -0.58 -1.14 116.57 118.63 2crg h LYS 54 Ca 0.15 0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.88 2crg h LYS 54 Cb 0.21 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 2crg h LYS 54 CO -0.27 -0.09 -0.01 1.79 -3.45 0.00 0.00 179.45 177.41 2crg h THR 55 N -0.14 1.26 -1.15 1.00 1.35 -0.86 -3.45 112.91 110.92 2crg h THR 55 Ca 0.23 -1.06 -0.55 0.00 -0.55 0.00 0.00 66.41 64.48 2crg h THR 55 Cb 0.51 1.10 0.11 0.00 -1.73 0.00 0.00 68.15 68.14 2crg h THR 55 CO -0.60 0.36 -0.64 0.41 -0.25 0.00 0.00 175.52 174.80 2crg n THR 56 N -4.40 1.12 -1.87 6.82 -1.04 0.35 -4.63 114.28 110.62 2crg n THR 56 Ca -0.00 -0.43 -0.22 0.00 -2.04 0.00 0.00 64.05 61.36 2crg n THR 56 Cb 0.31 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.74 2crg n THR 56 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2crg s ASP 57 N -0.86 4.49 -0.13 8.00 2.15 -1.26 -4.85 116.67 124.22 2crg s ASP 57 Ca 0.53 -0.96 -0.03 0.00 0.43 0.00 0.00 52.55 52.52 2crg s ASP 57 Cb -0.67 -2.58 0.05 0.00 -0.30 0.00 0.00 42.92 39.42 2crg s ASP 57 CO 0.51 -3.52 0.06 -0.60 -0.17 0.00 0.00 175.17 171.44 2crg s ARG 58 N 7.48 0.25 -1.36 4.34 6.06 -1.26 -4.88 118.95 129.58 2crg s ARG 58 Ca 0.76 -0.02 -0.06 0.00 -2.50 0.00 0.00 55.73 53.91 2crg s ARG 58 Cb -0.05 -1.47 0.00 0.00 0.06 0.00 0.00 34.95 33.49 2crg s ARG 58 CO 0.10 -0.53 0.47 0.98 -2.50 0.00 0.00 175.30 173.82 2crg n TYR 59 N 5.21 -1.66 -1.84 5.12 4.19 -1.26 -4.87 117.16 122.06 2crg n TYR 59 Ca -0.07 0.65 -0.39 0.00 3.31 0.00 0.00 57.90 61.40 2crg n TYR 59 Cb 0.49 -3.60 0.02 0.00 0.49 0.00 0.00 39.34 36.74 2crg n TYR 59 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 2crg s VAL 60 N -3.87 2.17 -0.27 2.97 0.11 -1.26 -4.96 120.40 115.28 2crg s VAL 60 Ca 0.11 0.14 -0.14 0.00 -2.93 0.00 0.00 61.98 59.16 2crg s VAL 60 Cb -0.04 -3.08 -0.13 0.00 -1.53 0.00 0.00 36.38 31.60 2crg s VAL 60 CO 0.89 0.01 -0.29 0.00 -3.33 0.00 0.00 175.10 172.39 2crg n GLN 61 N -0.38 0.59 -2.09 1.54 1.13 -1.26 -4.78 117.38 112.13 2crg n GLN 61 Ca 0.06 0.30 -0.28 0.00 -1.94 0.00 0.00 57.00 55.14 2crg n GLN 61 Cb 0.43 -1.52 -0.05 0.00 0.11 0.00 0.00 30.24 29.21 2crg n GLN 61 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2crg s GLN 62 N -2.49 2.64 0.42 -1.09 2.00 -1.26 -4.94 119.66 114.93 2crg s GLN 62 Ca -0.38 -0.55 -0.26 0.00 -2.00 0.00 0.00 55.36 52.18 2crg s GLN 62 Cb 0.14 -5.13 -0.09 0.00 0.80 0.00 0.00 33.01 28.74 2crg s GLN 62 CO 0.51 -3.40 1.36 0.21 -0.50 0.00 0.00 175.29 173.47 2crg s LYS 63 N 6.72 3.86 -0.14 1.67 2.47 -1.26 -5.01 119.74 128.06 2crg s LYS 63 Ca 0.68 2.28 -0.05 0.00 -1.56 0.00 0.00 55.97 57.33 2crg s LYS 63 Cb -0.05 -2.73 -0.04 0.00 -1.46 0.00 0.00 37.83 33.56 2crg s LYS 63 CO 0.02 -0.62 0.03 -0.98 0.16 0.00 0.00 175.35 173.95 2crg s ARG 64 N -2.31 3.52 0.79 4.03 1.70 -1.26 -5.11 118.95 120.31 2crg s ARG 64 Ca 0.58 -0.38 -0.11 0.00 -0.47 0.00 0.00 55.73 55.36 2crg s ARG 64 Cb -0.41 -3.01 0.08 0.00 -0.57 0.00 0.00 34.95 31.04 2crg s ARG 64 CO 0.53 0.47 1.15 0.45 -1.08 0.00 0.00 175.30 176.81 2crg s SER 65 N -0.22 4.54 0.00 -2.89 0.15 -1.26 -5.03 113.70 108.99 2crg s SER 65 Ca 0.07 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.41 2crg s SER 65 Cb -0.12 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 2crg s SER 65 CO 0.02 -1.86 0.00 0.61 1.20 0.00 0.00 173.24 173.21 2crg n GLY 66 N -3.24 -1.04 3.74 9.45 0.00 -1.26 -5.17 105.19 107.68 2crg n GLY 66 Ca 0.08 0.43 -0.30 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 1.70 0.11 1.61 0.04 -1.26 -5.03 135.00 132.17 2crg s PRO 67 Ca 0.00 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2crg s PRO 67 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2crg s PRO 67 CO 0.00 -1.98 0.00 0.43 0.04 0.00 0.00 177.00 175.49 2crg n SER 68 N -3.73 1.07 -0.29 6.66 7.64 -1.26 -4.78 113.62 118.94 2crg n SER 68 Ca 0.08 0.15 0.11 0.00 1.01 0.00 0.00 58.87 60.22 2crg n SER 68 Cb 0.54 -0.31 0.26 0.00 -1.01 0.00 0.00 64.21 63.69 2crg n SER 68 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2crg h SER 69 N 0.00 0.01 0.00 6.43 0.87 -2.10 -3.59 113.55 115.18 2crg h SER 69 Ca 0.00 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2crg h SER 69 Cb 0.00 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2crg h SER 69 CO 0.00 -0.11 0.00 0.61 -0.53 0.00 0.00 176.83 176.80