#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 6.69 -1.78 1.61 0.15 -1.26 -4.31 113.70 114.80 2crg s SER 2 Ca 0.00 0.82 -0.18 0.00 0.70 0.00 0.00 55.95 57.29 2crg s SER 2 Cb 0.00 -2.21 0.18 0.00 -1.71 0.00 0.00 66.02 62.28 2crg s SER 2 CO 0.00 0.31 0.46 -1.20 1.20 0.00 0.00 173.24 174.01 2crg n SER 3 N 2.09 -1.21 -2.98 5.45 7.64 -1.26 -2.24 113.62 121.12 2crg n SER 3 Ca -0.15 -1.23 -0.12 0.00 1.01 0.00 0.00 58.87 58.38 2crg n SER 3 Cb 0.53 -1.57 0.01 0.00 -1.01 0.00 0.00 64.21 62.17 2crg n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crg n GLY 4 N -1.38 -1.11 3.55 0.23 0.00 -1.26 -5.05 105.19 100.17 2crg n GLY 4 Ca 0.02 1.17 -0.10 0.00 0.00 0.00 0.00 46.02 47.11 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 -2.50 -0.45 -0.23 1.61 0.01 -0.95 -5.06 113.70 106.12 2crg s SER 5 Ca 0.24 -0.21 -0.13 0.00 1.31 0.00 0.00 55.95 57.15 2crg s SER 5 Cb -0.06 0.63 -0.17 0.00 0.21 0.00 0.00 66.02 66.63 2crg s SER 5 CO 0.79 -1.08 -0.06 -1.54 0.41 0.00 0.00 173.24 171.76 2crg n SER 6 N -0.39 1.95 0.00 2.44 3.41 -1.26 -4.02 113.62 115.75 2crg n SER 6 Ca -0.13 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 2crg n SER 6 Cb 0.63 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 2crg n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crg n GLY 7 N 1.55 3.08 3.61 5.00 0.00 -1.26 -4.97 105.19 112.21 2crg n GLY 7 Ca -0.43 -0.87 -0.06 0.00 0.00 0.00 0.00 46.02 44.65 2crg n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2crg s MET 8 N 0.00 1.02 0.33 1.61 0.00 -1.26 -5.17 119.30 115.83 2crg s MET 8 Ca 0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 55.69 55.10 2crg s MET 8 Cb 0.00 0.40 -0.07 0.00 0.00 0.00 0.00 34.83 35.16 2crg s MET 8 CO 0.00 -0.46 0.70 -1.21 0.00 0.00 0.00 175.02 174.05 2crg s GLU 9 N -3.23 3.85 -0.40 3.16 0.41 -1.26 -5.06 118.70 116.18 2crg s GLU 9 Ca 0.08 0.46 -0.12 0.00 -0.41 0.00 0.00 54.97 54.99 2crg s GLU 9 Cb -0.01 -2.47 0.04 0.00 -1.78 0.00 0.00 34.13 29.90 2crg s GLU 9 CO -0.04 0.12 0.25 -1.83 -0.49 0.00 0.00 175.26 173.27 2crg s GLU 10 N -3.32 2.82 -0.08 1.61 -1.05 -1.26 -5.07 118.70 112.35 2crg s GLU 10 Ca 0.51 -1.16 0.05 0.00 -0.15 0.00 0.00 54.97 54.22 2crg s GLU 10 Cb -0.10 -3.81 -0.00 0.00 -0.44 0.00 0.00 34.13 29.77 2crg s GLU 10 CO 0.24 -0.78 -0.24 -1.58 0.95 0.00 0.00 175.26 173.85 2crg s TRP 11 N 1.56 2.48 0.64 4.83 0.52 -1.26 -5.14 118.94 122.57 2crg s TRP 11 Ca 0.03 -0.89 -0.01 0.00 0.02 0.00 0.00 56.10 55.25 2crg s TRP 11 Cb -0.20 -1.64 0.08 0.00 -1.15 0.00 0.00 33.47 30.55 2crg s TRP 11 CO 0.06 -0.32 0.89 -1.12 0.02 0.00 0.00 176.95 176.49 2crg s SER 12 N 0.11 4.83 0.09 2.95 0.01 -1.26 -4.87 113.70 115.56 2crg s SER 12 Ca -0.12 -0.10 -0.28 0.00 1.31 0.00 0.00 55.95 56.77 2crg s SER 12 Cb -0.16 -0.55 -0.15 0.00 0.21 0.00 0.00 66.02 65.37 2crg s SER 12 CO 0.06 -1.50 1.68 0.00 0.41 0.00 0.00 173.24 173.89 2crg h ALA 13 N -0.26 -0.45 -0.56 1.44 0.00 -2.00 0.16 119.26 117.59 2crg h ALA 13 Ca -0.40 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.51 2crg h ALA 13 Cb 1.29 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 19.19 2crg h ALA 13 CO 0.48 -0.76 -0.40 0.77 0.00 0.00 0.00 179.25 179.34 2crg h SER 14 N -0.46 -1.39 0.12 0.00 0.02 -2.00 0.20 113.55 110.05 2crg h SER 14 Ca -0.03 0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2crg h SER 14 Cb 0.38 0.64 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2crg h SER 14 CO 0.03 -0.33 -0.06 -0.33 -1.14 0.00 0.00 176.83 175.01 2crg h GLU 15 N -0.22 -0.15 -0.71 3.45 3.07 -1.93 -1.86 114.58 116.22 2crg h GLU 15 Ca 0.19 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.17 2crg h GLU 15 Cb 0.56 0.03 -0.12 0.00 -0.84 0.00 0.00 28.75 28.39 2crg h GLU 15 CO -0.67 0.05 -0.41 0.00 -1.40 0.00 0.00 179.01 176.58 2crg h ALA 16 N 0.52 -0.16 -0.24 3.43 0.00 0.19 0.16 119.26 123.17 2crg h ALA 16 Ca -0.02 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2crg h ALA 16 Cb 0.27 0.96 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2crg h ALA 16 CO 0.03 -0.75 0.14 0.00 0.00 0.00 0.00 179.25 178.67 2crg h LEU 18 N 0.30 0.43 0.25 0.00 3.38 -0.17 -2.53 115.31 116.97 2crg h LEU 18 Ca 0.09 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2crg h LEU 18 Cb 0.03 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2crg h LEU 18 CO -0.02 0.06 -0.13 0.15 0.09 0.00 0.00 178.44 178.59 2crg h PHE 19 N 0.48 -0.34 -0.74 1.13 3.57 -0.71 0.30 116.94 120.62 2crg h PHE 19 Ca 0.56 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 62.12 2crg h PHE 19 Cb 1.01 0.12 -0.09 0.00 2.79 0.00 0.00 35.95 39.78 2crg h PHE 19 CO -0.10 -0.21 -0.43 0.39 -2.23 0.00 0.00 178.31 175.72 2crg n GLU 20 N -3.00 -0.32 -0.07 1.11 1.02 -0.99 0.22 120.64 118.61 2crg n GLU 20 Ca -0.04 1.15 0.06 0.00 -0.02 0.00 0.00 57.16 58.31 2crg n GLU 20 Cb 0.14 -1.69 0.41 0.00 -0.02 0.00 0.00 31.44 30.28 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 0.58 -0.19 3.49 4.11 -1.48 -2.41 114.58 118.69 2crg h GLU 21 Ca 0.12 -0.03 0.04 0.00 0.07 0.00 0.00 59.36 59.55 2crg h GLU 21 Cb 0.30 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2crg h GLU 21 CO -0.69 0.38 -0.04 0.00 0.07 0.00 0.00 179.01 178.74 2crg h ALA 22 N 1.69 0.13 0.00 1.06 0.00 0.50 0.22 119.26 122.86 2crg h ALA 22 Ca 0.22 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2crg h ALA 22 Cb 0.13 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2crg h ALA 22 CO -0.06 -0.47 0.00 1.25 0.00 0.00 0.00 179.25 179.97 2crg h LEU 23 N 0.01 0.00 0.17 0.00 5.85 -0.73 0.14 115.31 120.75 2crg h LEU 23 Ca 0.09 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.47 2crg h LEU 23 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2crg h LEU 23 CO -0.18 0.00 -1.71 -0.33 -0.34 0.00 0.00 178.44 175.88 2crg h GLU 24 N 0.00 0.36 0.00 1.25 5.08 -0.84 -3.15 114.58 117.28 2crg h GLU 24 Ca 0.00 -0.61 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 2crg h GLU 24 Cb 0.26 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2crg h GLU 24 CO 0.00 1.26 -0.05 -0.22 -1.00 0.00 0.00 179.01 179.00 2crg h LYS 25 N 0.10 0.00 0.00 2.33 3.64 -0.23 -3.43 116.57 118.98 2crg h LYS 25 Ca -0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 2crg h LYS 25 Cb 2.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.90 2crg h LYS 25 CO 0.17 0.00 -0.02 1.88 -2.27 0.00 0.00 179.45 179.21 2crg h TYR 26 N -0.64 0.00 0.00 1.91 0.05 -0.98 -3.51 116.97 113.81 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 1.87 0.20 2.02 3.88 0.00 -0.92 -4.72 105.19 107.52 2crg n GLY 27 Ca -0.00 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.23 1.61 4.76 -1.26 -4.42 118.16 117.09 2crg n LYS 28 Ca 0.00 -0.67 -0.25 0.00 -2.87 0.00 0.00 58.31 54.52 2crg n LYS 28 Cb 0.00 -1.77 -0.06 0.00 -1.84 0.00 0.00 35.03 31.36 2crg n LYS 28 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2crg n ASP 29 N 2.44 2.47 -0.34 4.39 9.92 -1.26 -4.93 116.55 129.24 2crg n ASP 29 Ca 0.29 -3.22 0.26 0.00 -0.53 0.00 0.00 54.79 51.59 2crg n ASP 29 Cb 0.68 -0.63 0.50 0.00 -0.64 0.00 0.00 41.12 41.03 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 3.72 0.89 -0.33 1.24 0.04 -1.94 -0.25 116.94 120.31 2crg h PHE 30 Ca 0.14 0.04 0.05 0.00 2.80 0.00 0.00 57.97 60.99 2crg h PHE 30 Cb 0.74 -0.23 -0.08 0.00 2.20 0.00 0.00 35.95 38.58 2crg h PHE 30 CO 0.61 -0.22 -0.50 -0.91 -0.60 0.00 0.00 178.31 176.69 2crg h ASN 31 N 0.26 -1.65 0.22 2.17 4.21 -1.93 0.20 115.58 119.06 2crg h ASN 31 Ca 0.75 0.22 0.01 0.00 1.21 0.00 0.00 56.30 58.50 2crg h ASN 31 Cb 1.81 0.68 -0.04 0.00 -1.12 0.00 0.00 38.32 39.65 2crg h ASN 31 CO -0.61 -0.41 -0.43 0.44 -1.29 0.00 0.00 177.43 175.12 2crg h ASP 32 N -0.42 -1.24 -0.00 5.81 5.19 -1.47 -1.11 116.42 123.17 2crg h ASP 32 Ca 0.09 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 2crg h ASP 32 Cb 0.62 0.45 -0.01 0.00 0.18 0.00 0.00 39.33 40.57 2crg h ASP 32 CO -0.54 -0.53 -0.05 0.40 -3.12 0.00 0.00 179.24 175.40 2crg h ILE 33 N -0.73 0.00 -0.14 0.35 2.04 -1.28 0.12 117.51 117.87 2crg h ILE 33 Ca -0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 2crg h ILE 33 Cb 0.72 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2crg h ILE 33 CO -0.19 0.00 0.70 -0.09 0.00 0.00 0.00 178.15 178.57 2crg h ARG 34 N -0.06 0.00 0.31 2.37 2.43 -0.61 0.32 114.38 119.14 2crg h ARG 34 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2crg h ARG 34 Cb 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2crg h ARG 34 CO -0.03 0.00 -0.15 0.37 -1.51 0.00 0.00 179.97 178.65 2crg h GLN 35 N 0.00 -0.40 0.00 0.20 4.15 0.56 -2.94 115.11 116.68 2crg h GLN 35 Ca 0.07 0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.39 2crg h GLN 35 Cb 1.47 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 29.23 2crg h GLN 35 CO -0.00 -0.27 -1.27 -0.25 -1.93 0.00 0.00 178.83 175.12 2crg n ASP 36 N -3.87 1.66 -0.36 -0.69 8.00 -0.43 -4.18 116.55 116.68 2crg n ASP 36 Ca -0.05 0.28 -0.09 0.00 0.71 0.00 0.00 54.79 55.63 2crg n ASP 36 Cb 0.16 -0.64 -0.09 0.00 -0.02 0.00 0.00 41.12 40.54 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 -4.14 -0.38 -3.59 1.24 3.01 0.98 -3.86 117.46 110.73 2crg n PHE 37 Ca -0.22 1.07 -0.29 0.00 1.01 0.00 0.00 57.45 59.02 2crg n PHE 37 Cb 0.54 -0.57 -0.13 0.00 -0.01 0.00 0.00 39.48 39.31 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 -9.85 1.77 0.32 4.37 1.43 -0.57 -4.97 118.68 111.17 2crg s LEU 38 Ca -0.10 -2.28 0.11 0.00 -1.03 0.00 0.00 54.13 50.83 2crg s LEU 38 Cb 0.09 -0.70 0.53 0.00 0.03 0.00 0.00 46.19 46.14 2crg s LEU 38 CO 0.53 -0.31 1.72 1.55 0.23 0.00 0.00 176.35 180.07 2crg h PRO 39 N 7.05 0.03 0.14 1.29 0.13 -1.62 -3.21 132.00 135.80 2crg h PRO 39 Ca 0.00 -0.01 -0.21 0.00 -0.87 0.00 0.00 66.00 64.91 2crg h PRO 39 Cb 0.96 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.11 2crg h PRO 39 CO 0.38 0.51 -0.90 0.11 -0.23 0.00 0.00 178.00 177.87 2crg h TRP 40 N 0.02 0.64 -3.56 1.56 0.09 -1.93 -3.46 115.95 109.32 2crg h TRP 40 Ca -0.00 -0.45 -0.57 0.00 0.09 0.00 0.00 58.89 57.96 2crg h TRP 40 Cb 0.87 -0.03 0.16 0.00 0.08 0.00 0.00 29.16 30.24 2crg h TRP 40 CO 0.00 1.33 0.15 1.63 0.09 0.00 0.00 178.44 181.65 2crg n LYS 41 N -4.06 0.98 -2.25 0.12 4.76 -1.21 -4.99 118.16 111.51 2crg n LYS 41 Ca -0.14 0.38 -0.27 0.00 -2.87 0.00 0.00 58.31 55.40 2crg n LYS 41 Cb 0.85 -2.18 0.04 0.00 -1.84 0.00 0.00 35.03 31.91 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 -1.18 5.43 0.04 4.39 0.01 -1.26 -4.92 113.70 116.20 2crg s SER 42 Ca 0.74 0.77 -0.21 0.00 1.31 0.00 0.00 55.95 58.56 2crg s SER 42 Cb -0.43 -1.66 -0.11 0.00 0.21 0.00 0.00 66.02 64.03 2crg s SER 42 CO 0.48 -1.22 1.31 0.25 0.41 0.00 0.00 173.24 174.48 2crg h LEU 43 N -0.36 -0.68 -0.22 2.44 7.12 -1.95 -2.81 115.31 118.86 2crg h LEU 43 Ca -0.45 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 57.57 2crg h LEU 43 Cb 1.27 0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 41.57 2crg h LEU 43 CO 0.61 -0.44 0.05 0.74 -0.13 0.00 0.00 178.44 179.28 2crg h THR 44 N -0.71 1.21 -0.89 1.05 2.02 -1.99 -3.08 112.91 110.51 2crg h THR 44 Ca -0.07 -0.68 0.20 0.00 0.77 0.00 0.00 66.41 66.63 2crg h THR 44 Cb 0.56 1.24 -0.17 0.00 -1.74 0.00 0.00 68.15 68.04 2crg h THR 44 CO 0.09 0.22 -0.16 -1.20 0.37 0.00 0.00 175.52 174.84 2crg n SER 45 N -4.75 -0.26 -0.24 4.18 7.64 -1.23 0.20 113.62 119.17 2crg n SER 45 Ca -0.04 1.53 -0.04 0.00 1.01 0.00 0.00 58.87 61.33 2crg n SER 45 Cb 0.18 -0.49 0.12 0.00 -1.01 0.00 0.00 64.21 63.01 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 1.25 0.52 0.44 2.04 -1.41 -3.11 117.51 117.24 2crg h ILE 46 Ca 0.46 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 2crg h ILE 46 Cb 0.78 0.40 0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2crg h ILE 46 CO -0.90 0.31 -0.25 0.40 0.00 0.00 0.00 178.15 177.72 2crg h ILE 47 N 1.04 0.48 -0.73 -0.67 2.04 0.22 -3.02 117.51 116.88 2crg h ILE 47 Ca 0.24 -0.11 0.16 0.00 1.00 0.00 0.00 64.86 66.14 2crg h ILE 47 Cb 0.21 0.53 -0.14 0.00 -0.74 0.00 0.00 36.82 36.68 2crg h ILE 47 CO -0.02 0.02 -0.14 -0.62 0.00 0.00 0.00 178.15 177.39 2crg n GLU 48 N -5.36 -0.06 -0.12 2.37 1.02 -0.26 0.17 120.64 118.40 2crg n GLU 48 Ca -0.12 1.12 -0.05 0.00 -0.02 0.00 0.00 57.16 58.10 2crg n GLU 48 Cb 0.30 -1.70 0.03 0.00 -0.02 0.00 0.00 31.44 30.05 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 0.04 -0.71 -0.32 3.20 -1.58 -2.15 116.97 115.44 2crg h TYR 49 Ca 0.37 0.03 0.19 0.00 3.14 0.00 0.00 58.73 62.45 2crg h TYR 49 Cb 0.61 0.04 -0.13 0.00 1.54 0.00 0.00 36.73 38.79 2crg h TYR 49 CO -0.52 -0.04 -0.02 0.98 -1.64 0.00 0.00 178.16 176.91 2crg n TYR 50 N -5.16 0.41 0.01 -3.82 9.36 0.46 0.11 117.16 118.54 2crg n TYR 50 Ca 0.03 0.86 -0.08 0.00 3.32 0.00 0.00 57.90 62.03 2crg n TYR 50 Cb 0.20 -1.01 -0.06 0.00 -0.63 0.00 0.00 39.34 37.84 2crg n TYR 50 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2crg h TYR 51 N 0.00 -0.14 0.00 2.98 0.05 -1.44 -1.95 116.97 116.47 2crg h TYR 51 Ca 0.41 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.19 2crg h TYR 51 Cb 0.82 0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.60 2crg h TYR 51 CO -0.40 0.25 0.22 0.00 -1.05 0.00 0.00 178.16 177.18 2crg n MET 52 N -4.84 0.10 -0.10 4.88 0.00 0.51 0.24 117.12 117.90 2crg n MET 52 Ca -0.06 0.57 -0.24 0.00 0.00 0.00 0.00 57.70 57.98 2crg n MET 52 Cb 0.22 -2.03 -0.11 0.00 0.00 0.00 0.00 33.22 31.29 2crg n MET 52 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 175.97 177.84 2crg n TRP 53 N -2.06 0.59 -0.11 3.17 -0.00 0.30 -3.96 117.44 115.38 2crg n TRP 53 Ca -0.01 0.22 -0.20 0.00 -0.00 0.00 0.00 57.50 57.50 2crg n TRP 53 Cb 0.24 -1.06 -0.09 0.00 -0.00 0.00 0.00 31.31 30.39 2crg n TRP 53 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 2crg n LYS 54 N -4.10 0.55 0.02 5.87 3.00 -0.41 -4.14 118.16 118.96 2crg n LYS 54 Ca -0.41 0.49 0.04 0.00 -0.00 0.00 0.00 58.31 58.43 2crg n LYS 54 Cb 0.84 -1.68 0.19 0.00 0.00 0.00 0.00 35.03 34.38 2crg n LYS 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2crg n THR 55 N -4.42 1.53 -1.32 3.15 -1.04 0.65 -4.81 114.28 108.01 2crg n THR 55 Ca -0.32 0.43 -0.40 0.00 -2.04 0.00 0.00 64.05 61.72 2crg n THR 55 Cb 0.66 -1.35 0.01 0.00 -1.82 0.00 0.00 70.33 67.82 2crg n THR 55 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2crg n THR 56 N -1.62 0.74 -0.42 12.58 5.66 -0.92 -4.77 114.28 125.52 2crg n THR 56 Ca 0.01 -0.50 -0.05 0.00 -3.05 0.00 0.00 64.05 60.46 2crg n THR 56 Cb 0.07 -0.16 0.01 0.00 -1.55 0.00 0.00 70.33 68.70 2crg n THR 56 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2crg n ASP 57 N 2.02 5.30 -0.07 1.09 9.92 -1.26 -4.17 116.55 129.38 2crg n ASP 57 Ca 0.10 -2.56 -0.17 0.00 -0.53 0.00 0.00 54.79 51.63 2crg n ASP 57 Cb 0.44 -1.02 -0.13 0.00 -0.64 0.00 0.00 41.12 39.77 2crg n ASP 57 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 2crg h ARG 58 N 0.99 0.03 -3.46 -1.24 9.65 -1.90 -3.41 114.38 115.04 2crg h ARG 58 Ca 0.09 -0.05 -0.73 0.00 -1.10 0.00 0.00 59.98 58.19 2crg h ARG 58 Cb 1.02 0.02 -0.33 0.00 -1.39 0.00 0.00 29.97 29.29 2crg h ARG 58 CO 0.23 1.02 0.01 -0.47 2.80 0.00 0.00 179.97 183.56 2crg s TYR 59 N -2.29 3.90 -0.03 2.20 6.14 -1.26 -4.39 117.35 121.62 2crg s TYR 59 Ca -0.22 -2.81 0.03 0.00 0.64 0.00 0.00 57.07 54.70 2crg s TYR 59 Cb 0.01 -3.42 -0.04 0.00 0.42 0.00 0.00 41.96 38.92 2crg s TYR 59 CO 0.67 -0.82 0.02 1.55 0.64 0.00 0.00 175.55 177.61 2crg n VAL 60 N 2.73 0.17 -2.37 3.14 3.14 -1.26 -4.74 118.33 119.14 2crg n VAL 60 Ca 0.19 -0.12 -0.11 0.00 -2.96 0.00 0.00 64.34 61.34 2crg n VAL 60 Cb 0.39 -0.67 0.04 0.00 -1.06 0.00 0.00 33.84 32.54 2crg n VAL 60 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2crg n GLN 61 N -2.02 2.58 -3.04 1.45 6.02 -1.26 -4.94 117.38 116.17 2crg n GLN 61 Ca -0.04 -3.77 -0.12 0.00 -0.01 0.00 0.00 57.00 53.06 2crg n GLN 61 Cb 0.51 -1.88 0.04 0.00 1.02 0.00 0.00 30.24 29.93 2crg n GLN 61 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2crg n GLN 62 N -0.63 -4.03 -0.10 -1.09 7.27 -1.26 -4.95 117.38 112.59 2crg n GLN 62 Ca 0.26 0.42 -0.10 0.00 0.07 0.00 0.00 57.00 57.65 2crg n GLN 62 Cb 0.89 -4.22 -0.03 0.00 2.41 0.00 0.00 30.24 29.29 2crg n GLN 62 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2crg h LYS 63 N -1.36 0.50 -6.95 3.69 1.63 -1.90 -3.46 116.57 108.72 2crg h LYS 63 Ca -0.29 -0.12 -0.59 0.00 -0.85 0.00 0.00 60.65 58.81 2crg h LYS 63 Cb 1.19 -0.07 -0.24 0.00 -0.60 0.00 0.00 32.23 32.51 2crg h LYS 63 CO 0.28 0.56 -0.90 -2.13 -3.45 0.00 0.00 179.45 173.81 2crg n ARG 64 N -4.66 -1.80 -0.37 1.90 0.63 -1.26 -4.81 116.66 106.29 2crg n ARG 64 Ca -0.02 0.23 -0.10 0.00 -0.92 0.00 0.00 57.85 57.04 2crg n ARG 64 Cb 0.18 -4.49 -0.08 0.00 0.45 0.00 0.00 32.46 28.52 2crg n ARG 64 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2crg h SER 65 N -1.42 -2.02 -4.11 6.15 0.87 -1.90 -3.47 113.55 107.65 2crg h SER 65 Ca -0.62 0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2crg h SER 65 Cb 1.39 0.90 0.00 0.00 -0.44 0.00 0.00 62.40 64.25 2crg h SER 65 CO 0.78 -0.26 0.00 0.61 -0.53 0.00 0.00 176.83 177.42 2crg n GLY 66 N -1.30 2.90 0.00 5.77 0.00 -1.26 -4.85 105.19 106.45 2crg n GLY 66 Ca 0.02 -1.80 0.06 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.89 0.49 -0.16 1.61 -0.04 -1.26 -3.47 135.00 130.28 2crg n PRO 67 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 2crg n PRO 67 Cb 0.00 -1.36 0.03 0.00 -0.04 0.00 0.00 33.50 32.13 2crg n PRO 67 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2crg h SER 68 N 0.00 0.46 -1.81 3.54 0.87 -2.00 -3.40 113.55 111.20 2crg h SER 68 Ca 0.00 0.01 -0.61 0.00 -1.23 0.00 0.00 61.79 59.95 2crg h SER 68 Cb 0.00 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2crg h SER 68 CO 0.00 0.32 1.32 -0.24 -0.53 0.00 0.00 176.83 177.71 2crg n SER 69 N -4.82 3.13 0.00 6.23 2.88 -1.23 -5.24 113.62 114.58 2crg n SER 69 Ca 0.03 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 2crg n SER 69 Cb 0.08 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.12 2crg n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42