#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 7.38 -0.01 1.61 0.01 -1.26 -5.04 113.70 116.39 2crg s SER 2 Ca 0.00 1.65 -0.28 0.00 1.31 0.00 0.00 55.95 58.62 2crg s SER 2 Cb 0.00 -2.53 0.10 0.00 0.21 0.00 0.00 66.02 63.80 2crg s SER 2 CO 0.00 0.05 0.84 -0.94 0.41 0.00 0.00 173.24 173.60 2crg s SER 3 N -0.39 -0.43 -0.92 2.44 1.04 -1.26 -5.02 113.70 109.17 2crg s SER 3 Ca 0.41 0.15 -0.12 0.00 0.48 0.00 0.00 55.95 56.87 2crg s SER 3 Cb -0.22 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.33 2crg s SER 3 CO 0.27 -0.63 0.60 0.61 0.98 0.00 0.00 173.24 175.07 2crg n GLY 4 N 0.03 -1.10 3.23 7.32 0.00 -1.26 -4.95 105.19 108.44 2crg n GLY 4 Ca -0.11 0.49 -0.28 0.00 0.00 0.00 0.00 46.02 46.12 2crg n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crg s SER 5 N -3.16 2.53 0.09 1.61 0.15 -1.26 -5.14 113.70 108.51 2crg s SER 5 Ca 0.16 -0.39 0.05 0.00 0.70 0.00 0.00 55.95 56.47 2crg s SER 5 Cb -0.09 -0.35 -0.03 0.00 -1.71 0.00 0.00 66.02 63.84 2crg s SER 5 CO 0.88 0.25 -0.13 -0.94 1.20 0.00 0.00 173.24 174.50 2crg s SER 6 N -0.43 1.72 0.00 5.45 1.04 -1.26 -5.07 113.70 115.15 2crg s SER 6 Ca 0.06 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.79 2crg s SER 6 Cb -0.09 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.99 2crg s SER 6 CO -0.00 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.70 2crg n GLY 7 N 0.96 0.39 3.93 7.32 0.00 -1.26 -5.11 105.19 111.41 2crg n GLY 7 Ca -0.19 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 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 0.95 0.10 1.61 0.00 -1.26 -5.10 119.30 115.61 2crg s MET 8 Ca 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 55.69 55.45 2crg s MET 8 Cb 0.00 -1.88 -0.03 0.00 0.00 0.00 0.00 34.83 32.91 2crg s MET 8 CO 0.00 -2.21 -0.20 -1.83 0.00 0.00 0.00 175.02 170.78 2crg s GLU 9 N -5.81 1.10 -0.04 3.16 1.03 -1.26 -5.14 118.70 111.75 2crg s GLU 9 Ca 0.71 -1.16 -0.01 0.00 0.03 0.00 0.00 54.97 54.54 2crg s GLU 9 Cb -0.05 -1.32 0.03 0.00 -0.80 0.00 0.00 34.13 31.99 2crg s GLU 9 CO 0.52 0.30 0.07 -2.00 -1.33 0.00 0.00 175.26 172.82 2crg s GLU 10 N -1.98 -0.00 -0.15 -4.83 2.12 -1.26 -5.15 118.70 107.45 2crg s GLU 10 Ca 0.06 0.27 -0.08 0.00 0.36 0.00 0.00 54.97 55.58 2crg s GLU 10 Cb -0.10 -0.26 -0.04 0.00 0.26 0.00 0.00 34.13 34.00 2crg s GLU 10 CO 0.04 -0.19 0.14 -1.58 -0.54 0.00 0.00 175.26 173.13 2crg s TRP 11 N 1.25 3.52 0.84 5.30 0.52 -1.26 -5.10 118.94 124.01 2crg s TRP 11 Ca -0.07 0.45 -0.10 0.00 0.02 0.00 0.00 56.10 56.39 2crg s TRP 11 Cb -0.12 -2.03 0.15 0.00 -1.15 0.00 0.00 33.47 30.31 2crg s TRP 11 CO -0.04 0.55 1.18 -1.12 0.02 0.00 0.00 176.95 177.54 2crg s SER 12 N -0.44 3.84 0.01 2.95 0.01 -1.26 -4.88 113.70 113.93 2crg s SER 12 Ca 0.12 0.19 -0.25 0.00 1.31 0.00 0.00 55.95 57.32 2crg s SER 12 Cb -0.12 -0.46 -0.14 0.00 0.21 0.00 0.00 66.02 65.51 2crg s SER 12 CO 0.01 -2.25 1.06 0.00 0.41 0.00 0.00 173.24 172.47 2crg h ALA 13 N -1.14 -0.93 -0.87 1.44 0.00 -1.99 -0.88 119.26 114.89 2crg h ALA 13 Ca -0.43 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 54.49 2crg h ALA 13 Cb 1.27 0.35 -0.12 0.00 0.00 0.00 0.00 17.79 19.29 2crg h ALA 13 CO 0.45 -0.86 0.38 0.77 0.00 0.00 0.00 179.25 179.99 2crg h SER 14 N -1.22 0.33 0.04 0.00 0.02 -2.00 -0.90 113.55 109.82 2crg h SER 14 Ca -0.09 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2crg h SER 14 Cb 0.70 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.35 2crg h SER 14 CO 0.15 0.03 -0.02 -0.33 -1.14 0.00 0.00 176.83 175.52 2crg h GLU 15 N 0.43 -0.06 -0.35 3.45 5.08 -1.95 -2.26 114.58 118.92 2crg h GLU 15 Ca 0.53 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.94 2crg h GLU 15 Cb 0.96 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.14 2crg h GLU 15 CO -0.50 0.19 -0.53 0.00 -1.00 0.00 0.00 179.01 177.17 2crg h ALA 16 N 0.64 -0.78 -0.48 3.43 0.00 0.23 -1.09 119.26 121.22 2crg h ALA 16 Ca -0.01 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.97 2crg h ALA 16 Cb 0.27 1.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.09 2crg h ALA 16 CO 0.01 -1.02 0.09 0.00 0.00 0.00 0.00 179.25 178.33 2crg h LEU 18 N 0.23 0.59 0.40 0.00 3.38 -0.61 -2.10 115.31 117.19 2crg h LEU 18 Ca 0.24 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 2crg h LEU 18 Cb 0.31 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2crg h LEU 18 CO -0.31 0.09 -0.19 0.15 0.09 0.00 0.00 178.44 178.26 2crg h PHE 19 N 0.50 -0.50 -0.89 1.13 3.57 -0.19 -0.42 116.94 120.15 2crg h PHE 19 Ca 0.64 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 62.32 2crg h PHE 19 Cb 1.36 0.16 -0.17 0.00 2.79 0.00 0.00 35.95 40.10 2crg h PHE 19 CO -0.01 -0.31 -0.15 0.39 -2.23 0.00 0.00 178.31 176.01 2crg n GLU 20 N -3.97 -0.08 0.07 1.11 1.02 -0.90 0.23 120.64 118.13 2crg n GLU 20 Ca -0.07 1.37 -0.04 0.00 -0.02 0.00 0.00 57.16 58.40 2crg n GLU 20 Cb 0.21 -2.08 0.15 0.00 -0.02 0.00 0.00 31.44 29.70 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 0.30 -0.78 3.49 4.11 -1.43 -2.91 114.58 117.37 2crg h GLU 21 Ca 0.46 -0.17 0.03 0.00 0.07 0.00 0.00 59.36 59.75 2crg h GLU 21 Cb 0.79 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 2crg h GLU 21 CO -0.89 0.74 0.51 0.00 0.07 0.00 0.00 179.01 179.44 2crg h ALA 22 N 1.23 1.52 -0.02 1.06 0.00 0.47 0.69 119.26 124.22 2crg h ALA 22 Ca 0.01 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 2crg h ALA 22 Cb 0.98 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2crg h ALA 22 CO 0.08 0.40 -0.84 1.25 0.00 0.00 0.00 179.25 180.15 2crg h LEU 23 N 0.96 0.34 0.00 0.00 5.85 -1.08 -1.20 115.31 120.19 2crg h LEU 23 Ca 0.31 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 2crg h LEU 23 Cb 0.02 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2crg h LEU 23 CO -0.09 1.04 -0.56 -0.33 -0.34 0.00 0.00 178.44 178.16 2crg h GLU 24 N 0.16 0.00 0.00 1.25 4.39 -1.16 -2.72 114.58 116.50 2crg h GLU 24 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2crg h GLU 24 Cb 1.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 2crg h GLU 24 CO 0.13 0.46 -0.10 -0.22 -1.16 0.00 0.00 179.01 178.12 2crg h LYS 25 N 0.00 0.00 0.00 2.33 3.11 0.38 -3.44 116.57 118.95 2crg h LYS 25 Ca -0.02 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 2crg h LYS 25 Cb 1.38 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.61 2crg h LYS 25 CO 0.06 0.00 -0.35 1.88 -2.81 0.00 0.00 179.45 178.23 2crg h TYR 26 N -0.60 0.00 0.00 1.91 0.05 -1.40 -3.51 116.97 113.42 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 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.84 2crg h TYR 26 CO -0.04 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.48 2crg n GLY 27 N 1.66 0.37 2.04 3.88 0.00 -1.02 -4.81 105.19 107.31 2crg n GLY 27 Ca -0.05 -1.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 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 1.63 -3.03 1.61 4.76 -1.26 -4.39 118.16 117.49 2crg n LYS 28 Ca 0.00 -0.79 -0.24 0.00 -2.87 0.00 0.00 58.31 54.41 2crg n LYS 28 Cb 0.00 -1.86 -0.04 0.00 -1.84 0.00 0.00 35.03 31.29 2crg n LYS 28 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2crg n ASP 29 N 2.51 3.22 -0.27 4.39 -0.08 -1.26 -4.93 116.55 120.13 2crg n ASP 29 Ca 0.34 -3.45 0.26 0.00 -1.51 0.00 0.00 54.79 50.42 2crg n ASP 29 Cb 0.75 -0.58 0.46 0.00 2.34 0.00 0.00 41.12 44.09 2crg n ASP 29 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2crg n PHE 30 N -0.07 0.75 0.09 -0.67 3.72 -1.26 -0.25 117.46 119.77 2crg n PHE 30 Ca 0.29 0.76 -0.06 0.00 -0.05 0.00 0.00 57.45 58.39 2crg n PHE 30 Cb 0.48 -1.18 -0.03 0.00 -0.94 0.00 0.00 39.48 37.82 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 -0.44 -1.14 4.37 2.35 -1.93 0.48 115.58 119.28 2crg h ASN 31 Ca 0.63 0.03 0.37 0.00 -0.55 0.00 0.00 56.30 56.79 2crg h ASN 31 Cb 1.80 0.14 -0.14 0.00 0.05 0.00 0.00 38.32 40.18 2crg h ASN 31 CO -0.49 -0.21 0.70 0.44 -1.65 0.00 0.00 177.43 176.21 2crg h ASP 32 N -0.32 0.38 0.00 5.81 3.32 -1.05 0.11 116.42 124.67 2crg h ASP 32 Ca -0.02 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2crg h ASP 32 Cb 0.28 0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2crg h ASP 32 CO -0.02 -0.15 0.00 -0.38 -1.72 0.00 0.00 179.24 176.97 2crg n ILE 33 N -4.87 0.00 -0.11 0.35 5.41 -0.87 -3.34 119.36 115.94 2crg n ILE 33 Ca 0.34 0.68 0.23 0.00 1.00 0.00 0.00 62.75 65.01 2crg n ILE 33 Cb 1.18 -1.49 0.41 0.00 -0.71 0.00 0.00 39.64 39.02 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 0.44 0.38 2.43 0.32 0.12 114.38 118.08 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 4.15 -0.83 -2.80 115.11 115.26 2crg h GLN 35 Ca 0.39 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.85 2crg h GLN 35 Cb 2.62 0.13 0.00 0.00 0.21 0.00 0.00 27.48 30.44 2crg h GLN 35 CO -0.00 -0.38 -0.72 -0.25 -1.93 0.00 0.00 178.83 175.54 2crg n ASP 36 N -4.00 1.51 -0.18 -0.69 8.00 0.14 -4.18 116.55 117.14 2crg n ASP 36 Ca -0.07 0.25 -0.05 0.00 0.71 0.00 0.00 54.79 55.63 2crg n ASP 36 Cb 0.24 -0.64 -0.04 0.00 -0.02 0.00 0.00 41.12 40.65 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 -4.01 -0.19 -3.61 1.24 3.01 0.18 -3.72 117.46 110.36 2crg n PHE 37 Ca -0.10 0.54 -0.29 0.00 1.01 0.00 0.00 57.45 58.61 2crg n PHE 37 Cb 0.37 -0.48 -0.14 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 -8.08 1.70 0.07 4.37 1.43 -1.06 -4.99 118.68 112.11 2crg s LEU 38 Ca -0.05 -2.01 -0.18 0.00 -1.03 0.00 0.00 54.13 50.86 2crg s LEU 38 Cb 0.05 -0.68 -0.12 0.00 0.03 0.00 0.00 46.19 45.47 2crg s LEU 38 CO 0.27 -0.35 1.38 1.55 0.23 0.00 0.00 176.35 179.43 2crg h PRO 39 N 7.46 0.51 -0.13 1.29 0.13 -1.57 -3.28 132.00 136.40 2crg h PRO 39 Ca -0.05 -0.26 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2crg h PRO 39 Cb 0.98 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 2crg h PRO 39 CO 0.41 0.84 0.06 0.11 -0.23 0.00 0.00 178.00 179.19 2crg h TRP 40 N 0.18 0.18 -3.50 1.56 0.09 -1.93 -3.44 115.95 109.09 2crg h TRP 40 Ca 0.03 -0.01 -0.55 0.00 0.09 0.00 0.00 58.89 58.45 2crg h TRP 40 Cb 0.75 -0.06 0.19 0.00 0.08 0.00 0.00 29.16 30.12 2crg h TRP 40 CO 0.08 0.23 -0.22 1.63 0.09 0.00 0.00 178.44 180.25 2crg n LYS 41 N -4.93 0.21 -3.00 0.12 4.76 -1.24 -4.99 118.16 109.10 2crg n LYS 41 Ca -0.05 0.12 -0.25 0.00 -2.87 0.00 0.00 58.31 55.27 2crg n LYS 41 Cb 0.09 -2.00 0.00 0.00 -1.84 0.00 0.00 35.03 31.28 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 -1.70 6.10 0.03 4.39 0.01 -1.26 -4.95 113.70 116.31 2crg s SER 42 Ca 0.67 0.55 -0.18 0.00 1.31 0.00 0.00 55.95 58.29 2crg s SER 42 Cb -0.31 -1.92 -0.10 0.00 0.21 0.00 0.00 66.02 63.89 2crg s SER 42 CO 0.57 -0.54 1.21 0.25 0.41 0.00 0.00 173.24 175.14 2crg h LEU 43 N 0.44 -0.56 -0.47 2.44 5.85 -1.94 -2.64 115.31 118.43 2crg h LEU 43 Ca -0.48 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2crg h LEU 43 Cb 1.23 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 2crg h LEU 43 CO 0.60 -0.38 0.31 0.74 -0.34 0.00 0.00 178.44 179.37 2crg h THR 44 N -0.69 1.12 -0.88 1.05 2.02 -1.98 -2.63 112.91 110.92 2crg h THR 44 Ca -0.07 -0.23 0.24 0.00 0.77 0.00 0.00 66.41 67.12 2crg h THR 44 Cb 0.51 0.43 -0.15 0.00 -1.74 0.00 0.00 68.15 67.20 2crg h THR 44 CO 0.11 0.12 0.17 0.77 0.37 0.00 0.00 175.52 177.06 2crg h SER 45 N 0.64 -0.13 0.12 4.18 4.64 -1.97 0.85 113.55 121.87 2crg h SER 45 Ca 0.17 0.21 -0.10 0.00 -0.47 0.00 0.00 61.79 61.61 2crg h SER 45 Cb -0.07 0.32 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2crg h SER 45 CO -0.04 -0.21 -0.32 0.40 -0.87 0.00 0.00 176.83 175.79 2crg h ILE 46 N 0.15 1.28 0.73 0.95 2.04 -1.10 -3.24 117.51 118.32 2crg h ILE 46 Ca 0.55 -1.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.03 2crg h ILE 46 Cb 1.11 1.52 0.01 0.00 -0.74 0.00 0.00 36.82 38.72 2crg h ILE 46 CO -0.71 0.41 -0.35 0.40 0.00 0.00 0.00 178.15 177.90 2crg h ILE 47 N 0.27 0.15 -0.72 -0.67 2.04 0.86 -3.12 117.51 116.31 2crg h ILE 47 Ca 0.03 -0.20 0.16 0.00 1.00 0.00 0.00 64.86 65.85 2crg h ILE 47 Cb 0.71 0.19 -0.14 0.00 -0.74 0.00 0.00 36.82 36.84 2crg h ILE 47 CO 0.05 0.01 -0.13 -0.62 0.00 0.00 0.00 178.15 177.46 2crg n GLU 48 N -5.46 -0.06 -0.21 2.37 1.02 -0.51 0.17 120.64 117.95 2crg n GLU 48 Ca -0.13 1.12 0.02 0.00 -0.02 0.00 0.00 57.16 58.14 2crg n GLU 48 Cb 0.40 -1.69 0.11 0.00 -0.02 0.00 0.00 31.44 30.24 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 -0.07 -0.98 -0.32 5.03 -1.63 0.14 116.97 119.15 2crg h TYR 49 Ca 0.37 0.05 0.29 0.00 2.58 0.00 0.00 58.73 62.02 2crg h TYR 49 Cb 0.62 0.13 -0.14 0.00 1.55 0.00 0.00 36.73 38.89 2crg h TYR 49 CO -0.51 -0.19 0.51 -0.92 -1.32 0.00 0.00 178.16 175.74 2crg h TYR 50 N 0.10 0.85 0.18 -3.82 5.03 0.16 1.11 116.97 120.59 2crg h TYR 50 Ca 0.34 0.04 -0.27 0.00 2.58 0.00 0.00 58.73 61.41 2crg h TYR 50 Cb 0.55 -0.21 0.03 0.00 1.55 0.00 0.00 36.73 38.65 2crg h TYR 50 CO -0.39 -0.13 -1.19 1.88 -1.32 0.00 0.00 178.16 177.01 2crg h TYR 51 N 0.36 0.84 0.00 -3.82 0.05 -0.80 -2.60 116.97 111.00 2crg h TYR 51 Ca 0.68 -0.59 0.00 0.00 0.05 0.00 0.00 58.73 58.87 2crg h TYR 51 Cb 1.47 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 39.17 2crg h TYR 51 CO -0.05 1.45 0.00 0.00 -1.05 0.00 0.00 178.16 178.51 2crg n MET 52 N -3.89 0.18 -0.03 4.88 0.00 0.28 -1.41 117.12 117.13 2crg n MET 52 Ca -0.15 0.40 -0.17 0.00 0.00 0.00 0.00 57.70 57.77 2crg n MET 52 Cb 0.97 -1.83 -0.14 0.00 0.00 0.00 0.00 33.22 32.23 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 -2.16 0.93 0.12 3.17 -0.00 0.36 -3.85 117.44 116.01 2crg n TRP 53 Ca 0.02 0.23 -0.00 0.00 -0.00 0.00 0.00 57.50 57.75 2crg n TRP 53 Cb 0.23 -1.13 0.06 0.00 -0.00 0.00 0.00 31.31 30.47 2crg n TRP 53 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 177.69 179.26 2crg h LYS 54 N 0.04 0.00 -0.37 5.87 2.10 -1.28 -3.27 116.57 119.66 2crg h LYS 54 Ca -0.43 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.14 2crg h LYS 54 Cb 2.02 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.34 2crg h LYS 54 CO 0.06 0.64 -0.10 1.79 -2.00 0.00 0.00 179.45 179.83 2crg h THR 55 N 0.00 1.28 -2.74 0.07 1.35 -1.41 -3.43 112.91 108.02 2crg h THR 55 Ca -0.01 -1.19 -0.55 0.00 -0.55 0.00 0.00 66.41 64.12 2crg h THR 55 Cb 1.38 1.28 0.22 0.00 -1.73 0.00 0.00 68.15 69.30 2crg h THR 55 CO 0.08 0.39 -1.07 0.35 -0.25 0.00 0.00 175.52 175.02 2crg n THR 56 N -4.37 0.30 -0.28 6.82 -2.24 -1.23 -4.74 114.28 108.54 2crg n THR 56 Ca -0.02 -0.36 0.14 0.00 -2.27 0.00 0.00 64.05 61.54 2crg n THR 56 Cb 0.36 -0.36 0.27 0.00 -2.10 0.00 0.00 70.33 68.49 2crg n THR 56 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2crg n ASP 57 N 0.94 -0.06 -4.68 3.42 9.92 -1.26 -4.37 116.55 120.47 2crg n ASP 57 Ca 0.04 1.39 -0.45 0.00 -0.53 0.00 0.00 54.79 55.24 2crg n ASP 57 Cb 0.53 -0.52 -0.03 0.00 -0.64 0.00 0.00 41.12 40.46 2crg n ASP 57 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2crg n ARG 58 N -5.13 2.12 -3.10 -1.24 0.63 -1.26 -2.10 116.66 106.57 2crg n ARG 58 Ca 0.20 0.76 -0.14 0.00 -0.92 0.00 0.00 57.85 57.76 2crg n ARG 58 Cb 0.68 -2.45 0.05 0.00 0.45 0.00 0.00 32.46 31.18 2crg n ARG 58 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 2crg n TYR 59 N 2.31 -1.66 -3.63 -0.14 9.36 -1.26 -4.63 117.16 117.50 2crg n TYR 59 Ca 0.13 0.61 -0.14 0.00 3.32 0.00 0.00 57.90 61.82 2crg n TYR 59 Cb 0.31 -3.59 -0.06 0.00 -0.63 0.00 0.00 39.34 35.37 2crg n TYR 59 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2crg s VAL 60 N -3.20 0.04 -0.47 2.97 1.01 -0.89 -4.90 120.40 114.96 2crg s VAL 60 Ca 0.27 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.95 2crg s VAL 60 Cb -0.12 -0.92 0.14 0.00 0.00 0.00 0.00 36.38 35.48 2crg s VAL 60 CO 0.45 -0.18 0.26 0.00 0.00 0.00 0.00 175.10 175.62 2crg s GLN 61 N -2.12 1.48 0.25 2.72 0.00 -1.26 -5.02 119.66 115.72 2crg s GLN 61 Ca -0.07 -2.20 -0.06 0.00 -0.00 0.00 0.00 55.36 53.02 2crg s GLN 61 Cb -0.01 -2.58 -0.02 0.00 0.00 0.00 0.00 33.01 30.40 2crg s GLN 61 CO 0.01 -1.16 0.35 -0.65 0.00 0.00 0.00 175.29 173.84 2crg s GLN 62 N 0.12 1.51 -0.79 9.60 -0.21 -1.26 -5.07 119.66 123.57 2crg s GLN 62 Ca 0.18 -1.51 -0.24 0.00 0.02 0.00 0.00 55.36 53.82 2crg s GLN 62 Cb -0.23 0.39 -0.18 0.00 1.00 0.00 0.00 33.01 33.99 2crg s GLN 62 CO -0.01 -0.59 2.43 1.17 -2.12 0.00 0.00 175.29 176.18 2crg n LYS 63 N -0.39 0.46 -3.62 2.91 3.00 -1.26 -4.80 118.16 114.46 2crg n LYS 63 Ca 0.00 -0.22 -0.08 0.00 -0.00 0.00 0.00 58.31 58.02 2crg n LYS 63 Cb 0.63 -2.55 -0.06 0.00 0.00 0.00 0.00 35.03 33.05 2crg n LYS 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2crg s ARG 64 N 8.37 0.40 1.01 1.64 3.00 -1.26 -5.16 118.95 126.95 2crg s ARG 64 Ca 1.13 0.29 -0.21 0.00 -1.00 0.00 0.00 55.73 55.94 2crg s ARG 64 Cb -0.56 0.19 -0.13 0.00 0.00 0.00 0.00 34.95 34.45 2crg s ARG 64 CO 0.33 -0.09 -0.94 -1.13 0.00 0.00 0.00 175.30 173.47 2crg n SER 65 N 1.44 -4.19 -4.81 -2.12 3.41 -1.26 -4.90 113.62 101.18 2crg n SER 65 Ca -0.10 0.09 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 2crg n SER 65 Cb 0.57 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.75 2crg n SER 65 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2crg s GLY 66 N -1.16 2.60 0.04 5.00 0.00 -1.26 -5.02 107.32 107.53 2crg s GLY 66 Ca 0.41 0.23 -0.31 0.00 0.00 0.00 0.00 44.72 45.06 2crg s GLY 66 CO 0.73 0.58 1.42 2.56 0.00 0.00 0.00 173.10 178.39 2crg s PRO 67 N -2.19 4.29 -0.83 2.90 0.04 -1.26 -4.94 135.00 133.01 2crg s PRO 67 Ca 0.47 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 63.28 2crg s PRO 67 Cb -0.16 -3.48 0.01 0.00 0.04 0.00 0.00 34.50 30.91 2crg s PRO 67 CO 0.21 -0.54 1.58 -1.54 0.04 0.00 0.00 177.00 176.74 2crg s SER 68 N 1.70 5.88 0.37 6.66 1.04 -1.26 -4.97 113.70 123.12 2crg s SER 68 Ca 0.65 -0.64 0.08 0.00 0.48 0.00 0.00 55.95 56.52 2crg s SER 68 Cb -0.34 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.19 2crg s SER 68 CO 0.28 -2.03 0.24 -0.94 0.98 0.00 0.00 173.24 171.77 2crg s SER 69 N 5.83 4.85 0.00 7.02 1.04 -1.26 -5.30 113.70 125.89 2crg s SER 69 Ca 0.52 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 56.19 2crg s SER 69 Cb -0.06 -0.70 0.00 0.00 0.10 0.00 0.00 66.02 65.36 2crg s SER 69 CO 0.06 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.45