#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 2.86 1.10 1.61 0.01 -1.26 -5.00 113.70 113.02 2crg s SER 2 Ca 0.00 1.35 -0.16 0.00 1.31 0.00 0.00 55.95 58.45 2crg s SER 2 Cb 0.00 -2.03 0.17 0.00 0.21 0.00 0.00 66.02 64.37 2crg s SER 2 CO 0.00 -3.00 0.28 -1.20 0.41 0.00 0.00 173.24 169.72 2crg n SER 3 N -4.11 -2.94 0.00 2.44 7.64 -1.26 -4.95 113.62 110.44 2crg n SER 3 Ca 0.06 -0.36 0.00 0.00 1.01 0.00 0.00 58.87 59.58 2crg n SER 3 Cb 0.56 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 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 2.26 1.69 1.67 0.23 0.00 -1.26 -4.95 105.19 104.83 2crg n GLY 4 Ca 0.05 -0.73 -0.05 0.00 0.00 0.00 0.00 46.02 45.29 2crg n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2crg n SER 5 N 0.00 5.47 -4.86 1.61 3.41 -1.26 -4.87 113.62 113.11 2crg n SER 5 Ca 0.00 -2.51 -0.29 0.00 -0.26 0.00 0.00 58.87 55.81 2crg n SER 5 Cb 0.00 -1.19 -0.05 0.00 -0.26 0.00 0.00 64.21 62.72 2crg n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2crg s SER 6 N 1.78 5.98 0.57 4.04 1.04 -1.26 -5.08 113.70 120.78 2crg s SER 6 Ca 0.19 0.10 -0.20 0.00 0.48 0.00 0.00 55.95 56.52 2crg s SER 6 Cb 0.10 -1.73 -0.05 0.00 0.10 0.00 0.00 66.02 64.44 2crg s SER 6 CO -0.01 0.13 1.11 0.61 0.98 0.00 0.00 173.24 176.06 2crg n GLY 7 N 0.04 0.07 3.31 7.32 0.00 -1.26 -4.93 105.19 109.74 2crg n GLY 7 Ca -0.07 -0.06 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 2crg n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2crg s MET 8 N -2.77 3.98 -0.02 1.61 -2.45 -1.26 -5.03 119.30 113.36 2crg s MET 8 Ca 0.74 -3.08 -0.35 0.00 -1.25 0.00 0.00 55.69 51.75 2crg s MET 8 Cb -0.43 -4.46 -0.13 0.00 1.25 0.00 0.00 34.83 31.06 2crg s MET 8 CO 0.48 -1.25 1.75 -1.91 1.05 0.00 0.00 175.02 175.14 2crg n GLU 9 N 2.90 2.04 -3.43 4.11 0.00 -1.26 -4.94 120.64 120.06 2crg n GLU 9 Ca 0.22 0.74 -0.38 0.00 0.00 0.00 0.00 57.16 57.74 2crg n GLU 9 Cb 0.40 -2.54 -0.08 0.00 0.00 0.00 0.00 31.44 29.22 2crg n GLU 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2crg s GLU 10 N 2.92 4.15 0.55 5.31 2.12 -1.26 -5.08 118.70 127.40 2crg s GLU 10 Ca 0.89 0.12 -0.02 0.00 0.36 0.00 0.00 54.97 56.31 2crg s GLU 10 Cb -0.73 -3.55 0.01 0.00 0.26 0.00 0.00 34.13 30.13 2crg s GLU 10 CO 0.48 -0.04 0.81 -1.58 -0.54 0.00 0.00 175.26 174.39 2crg s TRP 11 N 1.33 3.14 0.27 5.30 0.52 -1.26 -5.11 118.94 123.12 2crg s TRP 11 Ca 0.17 0.36 0.09 0.00 0.02 0.00 0.00 56.10 56.74 2crg s TRP 11 Cb -0.15 -2.64 -0.04 0.00 -1.15 0.00 0.00 33.47 29.49 2crg s TRP 11 CO 0.08 -0.73 0.01 0.45 0.02 0.00 0.00 176.95 176.78 2crg s SER 12 N -4.32 4.61 0.09 2.95 0.15 -1.26 -4.99 113.70 110.94 2crg s SER 12 Ca 0.53 -0.62 -0.34 0.00 0.70 0.00 0.00 55.95 56.22 2crg s SER 12 Cb -0.10 -0.88 -0.15 0.00 -1.71 0.00 0.00 66.02 63.18 2crg s SER 12 CO 0.41 -0.01 1.58 0.00 1.20 0.00 0.00 173.24 176.43 2crg h ALA 13 N 1.85 -0.96 -0.24 5.45 0.00 -1.99 0.23 119.26 123.60 2crg h ALA 13 Ca -0.44 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.37 2crg h ALA 13 Cb 1.25 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 19.64 2crg h ALA 13 CO 0.60 -1.09 -0.47 0.77 0.00 0.00 0.00 179.25 179.07 2crg h SER 14 N -0.86 -1.52 -0.26 0.00 0.02 -2.00 -1.25 113.55 107.68 2crg h SER 14 Ca -0.03 0.20 0.05 0.00 -0.84 0.00 0.00 61.79 61.17 2crg h SER 14 Cb 0.78 0.62 -0.05 0.00 0.14 0.00 0.00 62.40 63.89 2crg h SER 14 CO -0.11 -0.42 -0.07 -0.33 -1.14 0.00 0.00 176.83 174.75 2crg h GLU 15 N -0.46 -0.01 -0.83 3.45 5.08 -1.94 -1.75 114.58 118.11 2crg h GLU 15 Ca 0.08 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.65 2crg h GLU 15 Cb 0.63 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.75 2crg h GLU 15 CO -0.48 -0.01 0.23 0.00 -1.00 0.00 0.00 179.01 177.75 2crg h ALA 16 N 1.25 1.17 0.15 3.43 0.00 0.32 -0.82 119.26 124.75 2crg h ALA 16 Ca 0.13 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2crg h ALA 16 Cb 0.20 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2crg h ALA 16 CO -0.27 -0.40 -0.07 0.00 0.00 0.00 0.00 179.25 178.50 2crg h LEU 18 N -0.42 0.40 0.19 0.00 3.38 -0.48 -2.31 115.31 116.07 2crg h LEU 18 Ca -0.02 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2crg h LEU 18 Cb 0.33 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2crg h LEU 18 CO 0.03 -0.02 -0.13 0.15 0.09 0.00 0.00 178.44 178.57 2crg h PHE 19 N 0.41 -0.36 -0.68 1.13 3.57 -1.16 0.11 116.94 119.96 2crg h PHE 19 Ca 0.61 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 62.17 2crg h PHE 19 Cb 1.20 0.13 -0.08 0.00 2.79 0.00 0.00 35.95 39.99 2crg h PHE 19 CO -0.10 -0.19 -0.40 0.39 -2.23 0.00 0.00 178.31 175.78 2crg n GLU 20 N -3.06 -0.30 -0.06 1.11 1.02 -0.89 0.23 120.64 118.69 2crg n GLU 20 Ca -0.04 1.07 0.03 0.00 -0.02 0.00 0.00 57.16 58.21 2crg n GLU 20 Cb 0.13 -1.58 0.38 0.00 -0.02 0.00 0.00 31.44 30.35 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 0.66 -0.49 3.49 4.11 -1.47 -2.32 114.58 118.55 2crg h GLU 21 Ca 0.11 -0.04 0.06 0.00 0.07 0.00 0.00 59.36 59.56 2crg h GLU 21 Cb 0.28 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 2crg h GLU 21 CO -0.64 0.43 0.20 0.00 0.07 0.00 0.00 179.01 179.07 2crg h ALA 22 N 1.68 0.61 0.00 1.06 0.00 0.57 0.62 119.26 123.80 2crg h ALA 22 Ca 0.19 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 2crg h ALA 22 Cb -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2crg h ALA 22 CO -0.04 -0.18 -0.33 1.25 0.00 0.00 0.00 179.25 179.94 2crg h LEU 23 N 0.39 0.00 0.02 0.00 5.85 -0.66 0.13 115.31 121.04 2crg h LEU 23 Ca 0.23 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.72 2crg h LEU 23 Cb 0.22 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2crg h LEU 23 CO -0.22 0.33 -1.17 -0.33 -0.34 0.00 0.00 178.44 176.72 2crg h GLU 24 N 0.00 0.05 0.00 1.25 5.08 -0.80 -2.88 114.58 117.29 2crg h GLU 24 Ca -0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2crg h GLU 24 Cb 0.73 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2crg h GLU 24 CO 0.04 0.96 -0.15 -0.22 -1.00 0.00 0.00 179.01 178.64 2crg h LYS 25 N 0.01 0.00 0.06 2.33 3.64 0.41 -3.44 116.57 119.59 2crg h LYS 25 Ca -0.08 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2crg h LYS 25 Cb 1.85 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.67 2crg h LYS 25 CO 0.13 0.00 -0.03 1.88 -2.27 0.00 0.00 179.45 179.17 2crg h TYR 26 N -0.63 -0.07 0.00 1.91 0.05 -0.95 -3.51 116.97 113.77 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 0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.92 2crg h TYR 26 CO -0.07 -0.04 0.00 0.41 -1.05 0.00 0.00 178.16 177.41 2crg n GLY 27 N 1.43 0.21 2.04 3.88 0.00 -1.09 -4.77 105.19 106.90 2crg n GLY 27 Ca -0.01 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.02 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 -3.39 1.61 4.76 -1.26 -4.46 118.16 116.90 2crg n LYS 28 Ca 0.00 -0.69 -0.26 0.00 -2.87 0.00 0.00 58.31 54.49 2crg n LYS 28 Cb 0.00 -1.80 -0.09 0.00 -1.84 0.00 0.00 35.03 31.31 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 2.48 1.13 -0.28 4.39 -0.08 -1.26 -4.96 116.55 117.97 2crg n ASP 29 Ca 0.30 -2.83 0.10 0.00 -1.51 0.00 0.00 54.79 50.84 2crg n ASP 29 Cb 0.68 -0.64 0.24 0.00 2.34 0.00 0.00 41.12 43.75 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 4.66 0.38 -0.45 -0.67 0.04 -1.95 -1.92 116.94 117.03 2crg h PHE 30 Ca 0.16 0.05 0.05 0.00 2.80 0.00 0.00 57.97 61.02 2crg h PHE 30 Cb 0.83 -0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.86 2crg h PHE 30 CO 0.46 -0.12 -0.47 -0.97 -0.60 0.00 0.00 178.31 176.61 2crg h ASN 31 N 0.28 -1.60 -0.69 2.17 -0.73 -1.93 -0.38 115.58 112.71 2crg h ASN 31 Ca 0.49 0.22 0.10 0.00 1.87 0.00 0.00 56.30 58.97 2crg h ASN 31 Cb 0.91 0.67 -0.11 0.00 0.27 0.00 0.00 38.32 40.06 2crg h ASN 31 CO -0.56 -0.30 -0.46 0.44 -0.37 0.00 0.00 177.43 176.18 2crg h ASP 32 N -0.25 -1.60 0.00 1.15 5.19 -1.78 0.18 116.42 119.30 2crg h ASP 32 Ca 0.08 0.27 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 2crg h ASP 32 Cb 0.46 0.73 0.00 0.00 0.18 0.00 0.00 39.33 40.70 2crg h ASP 32 CO -0.56 -0.32 0.00 -0.38 -3.12 0.00 0.00 179.24 174.86 2crg n ILE 33 N -5.39 0.00 0.23 0.35 5.41 -0.58 -1.18 119.36 118.19 2crg n ILE 33 Ca 0.03 1.39 0.11 0.00 1.00 0.00 0.00 62.75 65.28 2crg n ILE 33 Cb 0.34 -2.20 0.38 0.00 -0.71 0.00 0.00 39.64 37.45 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 0.39 0.38 2.43 -0.83 0.21 114.38 116.96 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 -0.19 0.37 -1.51 0.00 0.00 179.97 178.64 2crg h GLN 35 N 0.00 -0.51 0.00 0.20 4.15 0.86 -3.01 115.11 116.79 2crg h GLN 35 Ca 0.09 0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.44 2crg h GLN 35 Cb 1.66 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 29.45 2crg h GLN 35 CO -0.00 -0.34 -1.14 -0.25 -1.93 0.00 0.00 178.83 175.17 2crg n ASP 36 N -3.94 1.58 -0.10 -0.69 8.00 -0.30 -4.31 116.55 116.80 2crg n ASP 36 Ca -0.07 0.26 -0.03 0.00 0.71 0.00 0.00 54.79 55.67 2crg n ASP 36 Cb 0.21 -0.60 -0.02 0.00 -0.02 0.00 0.00 41.12 40.68 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 -4.07 -0.10 -3.67 1.24 3.01 0.58 -3.85 117.46 110.59 2crg n PHE 37 Ca -0.19 0.29 -0.29 0.00 1.01 0.00 0.00 57.45 58.26 2crg n PHE 37 Cb 0.49 -0.46 -0.13 0.00 -0.01 0.00 0.00 39.48 39.37 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 -6.89 2.24 0.52 4.37 1.43 -0.96 -4.96 118.68 114.42 2crg s LEU 38 Ca -0.03 -2.32 0.33 0.00 -1.03 0.00 0.00 54.13 51.08 2crg s LEU 38 Cb 0.03 -0.87 1.37 0.00 0.03 0.00 0.00 46.19 46.75 2crg s LEU 38 CO 0.14 -0.31 1.97 1.55 0.23 0.00 0.00 176.35 179.94 2crg h PRO 39 N 7.09 0.00 0.10 1.29 0.13 -1.63 -3.14 132.00 135.83 2crg h PRO 39 Ca -0.02 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.78 2crg h PRO 39 Cb 0.95 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.07 2crg h PRO 39 CO 0.44 0.00 -1.73 0.11 -0.23 0.00 0.00 178.00 176.59 2crg h TRP 40 N 0.00 0.39 -2.59 1.56 0.09 -1.93 -3.46 115.95 110.00 2crg h TRP 40 Ca 0.00 -0.29 -0.53 0.00 0.09 0.00 0.00 58.89 58.17 2crg h TRP 40 Cb 0.47 -0.02 0.04 0.00 0.08 0.00 0.00 29.16 29.73 2crg h TRP 40 CO 0.00 1.68 1.07 0.15 0.09 0.00 0.00 178.44 181.43 2crg s LYS 41 N -2.50 4.16 0.93 0.12 -0.14 -1.19 -4.95 119.74 116.16 2crg s LYS 41 Ca -0.23 2.51 -0.10 0.00 -1.36 0.00 0.00 55.97 56.79 2crg s LYS 41 Cb 0.06 -3.56 0.14 0.00 -1.68 0.00 0.00 37.83 32.79 2crg s LYS 41 CO 0.74 -0.80 1.07 0.43 -0.76 0.00 0.00 175.35 176.02 2crg n SER 42 N 5.52 0.04 0.20 2.83 7.64 -1.26 -4.80 113.62 123.78 2crg n SER 42 Ca 0.17 0.40 -0.08 0.00 1.01 0.00 0.00 58.87 60.37 2crg n SER 42 Cb 0.39 -1.45 -0.04 0.00 -1.01 0.00 0.00 64.21 62.10 2crg n SER 42 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2crg h LEU 43 N -1.89 -0.43 -0.20 -3.43 5.85 -1.94 -2.87 115.31 110.40 2crg h LEU 43 Ca -0.43 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.33 2crg h LEU 43 Cb 1.27 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.38 2crg h LEU 43 CO 0.40 -0.31 0.00 0.74 -0.34 0.00 0.00 178.44 178.94 2crg h THR 44 N -0.51 0.86 -0.91 1.05 2.02 -1.98 -2.57 112.91 110.86 2crg h THR 44 Ca -0.05 -0.02 0.21 0.00 0.77 0.00 0.00 66.41 67.32 2crg h THR 44 Cb 0.39 0.79 -0.17 0.00 -1.74 0.00 0.00 68.15 67.42 2crg h THR 44 CO 0.08 0.01 -0.12 -0.24 0.37 0.00 0.00 175.52 175.63 2crg n SER 45 N -5.13 -0.23 -0.19 4.18 2.88 -1.23 0.20 113.62 114.09 2crg n SER 45 Ca -0.02 1.56 -0.04 0.00 -1.33 0.00 0.00 58.87 59.04 2crg n SER 45 Cb 0.11 -0.51 0.15 0.00 -0.75 0.00 0.00 64.21 63.20 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 1.24 0.47 2.46 2.04 -1.22 -3.09 117.51 119.40 2crg h ILE 46 Ca 0.49 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 2crg h ILE 46 Cb 0.87 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2crg h ILE 46 CO -0.90 0.31 -0.23 0.40 0.00 0.00 0.00 178.15 177.73 2crg h ILE 47 N 0.95 0.54 -0.82 -0.67 2.04 0.24 -3.02 117.51 116.76 2crg h ILE 47 Ca 0.21 -0.02 0.14 0.00 1.00 0.00 0.00 64.86 66.19 2crg h ILE 47 Cb 0.24 0.55 -0.14 0.00 -0.74 0.00 0.00 36.82 36.73 2crg h ILE 47 CO -0.01 0.00 -0.29 -0.62 0.00 0.00 0.00 178.15 177.23 2crg n GLU 48 N -5.36 -0.16 -0.28 2.37 1.02 -0.49 0.17 120.64 117.90 2crg n GLU 48 Ca -0.12 1.26 0.10 0.00 -0.02 0.00 0.00 57.16 58.39 2crg n GLU 48 Cb 0.27 -1.87 0.26 0.00 -0.02 0.00 0.00 31.44 30.07 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 0.48 -0.62 -0.32 3.20 -1.58 -0.48 116.97 117.63 2crg h TYR 49 Ca 0.31 0.04 0.12 0.00 3.14 0.00 0.00 58.73 62.35 2crg h TYR 49 Cb 0.52 -0.08 -0.12 0.00 1.54 0.00 0.00 36.73 38.59 2crg h TYR 49 CO -0.69 -0.08 -0.20 -0.92 -1.64 0.00 0.00 178.16 174.63 2crg h TYR 50 N 0.33 -0.47 0.06 -3.82 3.20 0.16 0.23 116.97 116.67 2crg h TYR 50 Ca 0.50 0.06 0.02 0.00 3.14 0.00 0.00 58.73 62.46 2crg h TYR 50 Cb 0.93 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 39.47 2crg h TYR 50 CO -0.20 -0.30 -0.21 1.88 -1.64 0.00 0.00 178.16 177.68 2crg h TYR 51 N -0.04 -0.56 0.50 -3.82 0.05 -1.06 0.44 116.97 112.47 2crg h TYR 51 Ca 0.29 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.07 2crg h TYR 51 Cb 0.49 0.24 -0.02 0.00 1.01 0.00 0.00 36.73 38.46 2crg h TYR 51 CO -0.55 -0.30 -0.41 1.98 -1.05 0.00 0.00 178.16 177.83 2crg h MET 52 N -0.37 -0.87 -0.74 4.88 4.05 -1.07 -1.40 114.93 119.40 2crg h MET 52 Ca 0.04 0.06 0.21 0.00 -0.28 0.00 0.00 59.70 59.73 2crg h MET 52 Cb 0.42 0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 31.39 2crg h MET 52 CO -0.15 -0.58 0.53 2.35 0.23 0.00 0.00 176.91 179.29 2crg h TRP 53 N -0.90 0.06 -0.33 1.39 7.01 -0.48 0.16 115.95 122.86 2crg h TRP 53 Ca -0.05 0.00 -0.17 0.00 2.11 0.00 0.00 58.89 60.78 2crg h TRP 53 Cb 0.78 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.81 2crg h TRP 53 CO -0.18 0.02 -0.46 -0.22 -2.79 0.00 0.00 178.44 174.81 2crg h LYS 54 N 0.04 0.86 -0.17 2.65 3.64 0.00 -3.24 116.57 120.36 2crg h LYS 54 Ca 0.36 -0.49 -0.10 0.00 -1.27 0.00 0.00 60.65 59.15 2crg h LYS 54 Cb 1.36 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.22 2crg h LYS 54 CO -0.02 1.13 -0.28 1.79 -2.27 0.00 0.00 179.45 179.80 2crg h THR 55 N 0.68 1.35 -1.45 1.00 1.35 0.27 -3.46 112.91 112.65 2crg h THR 55 Ca 0.04 -1.51 -0.62 0.00 -0.55 0.00 0.00 66.41 63.77 2crg h THR 55 Cb 1.05 1.92 0.14 0.00 -1.73 0.00 0.00 68.15 69.53 2crg h THR 55 CO 0.10 0.46 -0.81 0.35 -0.25 0.00 0.00 175.52 175.37 2crg n THR 56 N -4.39 1.00 -1.02 6.82 -2.24 -0.38 -4.83 114.28 109.23 2crg n THR 56 Ca -0.06 -0.49 -0.24 0.00 -2.27 0.00 0.00 64.05 60.99 2crg n THR 56 Cb 0.46 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.80 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 2.18 5.34 -4.70 3.42 5.75 -1.26 -4.93 116.55 122.35 2crg n ASP 57 Ca 0.13 -3.45 -0.34 0.00 -0.01 0.00 0.00 54.79 51.11 2crg n ASP 57 Cb 0.35 -0.89 -0.09 0.00 -1.03 0.00 0.00 41.12 39.46 2crg n ASP 57 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2crg s ARG 58 N -2.98 2.99 -0.76 0.11 3.00 -1.26 -4.61 118.95 115.44 2crg s ARG 58 Ca 0.51 -0.43 -0.02 0.00 0.00 0.00 0.00 55.73 55.79 2crg s ARG 58 Cb 0.42 -2.80 -0.02 0.00 0.00 0.00 0.00 34.95 32.54 2crg s ARG 58 CO 0.05 0.69 0.64 0.98 0.00 0.00 0.00 175.30 177.66 2crg n TYR 59 N 1.92 -1.57 -3.91 -0.53 4.19 -1.26 -5.05 117.16 110.95 2crg n TYR 59 Ca -0.18 0.60 -0.10 0.00 3.31 0.00 0.00 57.90 61.54 2crg n TYR 59 Cb 0.53 -3.83 -0.09 0.00 0.49 0.00 0.00 39.34 36.44 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 -3.25 0.12 0.00 2.97 0.11 -1.26 -5.09 120.40 113.99 2crg s VAL 60 Ca 0.16 -0.99 0.00 0.00 -2.93 0.00 0.00 61.98 58.22 2crg s VAL 60 Cb -0.02 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 34.05 2crg s VAL 60 CO 0.49 -0.54 0.92 0.00 -3.33 0.00 0.00 175.10 172.64 2crg n GLN 61 N 0.93 0.00 -3.73 1.54 1.13 -1.26 -4.87 117.38 111.13 2crg n GLN 61 Ca -0.20 0.56 -0.14 0.00 -1.94 0.00 0.00 57.00 55.28 2crg n GLN 61 Cb 0.58 -1.42 -0.09 0.00 0.11 0.00 0.00 30.24 29.41 2crg n GLN 61 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2crg s GLN 62 N -2.68 0.57 -0.23 -1.09 -0.21 -1.26 -5.16 119.66 109.59 2crg s GLN 62 Ca 0.00 0.35 -0.18 0.00 0.02 0.00 0.00 55.36 55.54 2crg s GLN 62 Cb 0.00 0.27 0.06 0.00 1.00 0.00 0.00 33.01 34.35 2crg s GLN 62 CO 0.00 -0.11 0.61 0.21 -2.12 0.00 0.00 175.29 173.88 2crg s LYS 63 N -0.30 0.67 -0.51 2.91 2.20 -1.26 -5.11 119.74 118.34 2crg s LYS 63 Ca -0.04 0.94 0.04 0.00 -0.36 0.00 0.00 55.97 56.55 2crg s LYS 63 Cb -0.03 0.24 0.16 0.00 -1.51 0.00 0.00 37.83 36.69 2crg s LYS 63 CO 0.02 -0.11 0.37 0.50 -0.36 0.00 0.00 175.35 175.77 2crg s ARG 64 N 0.81 1.49 -0.07 4.03 3.52 -1.26 -4.97 118.95 122.49 2crg s ARG 64 Ca -0.04 -2.48 -0.01 0.00 -0.13 0.00 0.00 55.73 53.07 2crg s ARG 64 Cb -0.05 -2.25 -0.01 0.00 -1.56 0.00 0.00 34.95 31.08 2crg s ARG 64 CO -0.06 -1.31 2.32 -1.13 -0.81 0.00 0.00 175.30 174.31 2crg n SER 65 N 2.72 5.57 -2.81 -2.12 3.41 -1.26 -4.79 113.62 114.33 2crg n SER 65 Ca 0.22 -2.57 -0.05 0.00 -0.26 0.00 0.00 58.87 56.21 2crg n SER 65 Cb 0.41 -1.17 0.01 0.00 -0.26 0.00 0.00 64.21 63.19 2crg n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crg n GLY 66 N 1.45 -2.47 0.23 5.00 0.00 -1.26 -4.88 105.19 103.27 2crg n GLY 66 Ca 0.15 0.95 0.16 0.00 0.00 0.00 0.00 46.02 47.28 2crg n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crg h PRO 67 N 2.43 0.00 -4.72 1.61 0.13 -1.98 -3.40 132.00 126.06 2crg h PRO 67 Ca -0.01 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.49 2crg h PRO 67 Cb 0.62 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.38 2crg h PRO 67 CO 0.16 0.00 -0.82 -1.54 -0.23 0.00 0.00 178.00 175.57 2crg s SER 68 N -5.22 3.36 0.64 1.44 1.04 -1.26 -5.12 113.70 108.58 2crg s SER 68 Ca 0.02 -0.84 -0.15 0.00 0.48 0.00 0.00 55.95 55.46 2crg s SER 68 Cb 0.09 -1.31 -0.01 0.00 0.10 0.00 0.00 66.02 64.89 2crg s SER 68 CO 0.49 -0.11 1.10 -0.94 0.98 0.00 0.00 173.24 174.76 2crg s SER 69 N 1.35 5.29 0.00 7.02 1.04 -1.26 -5.21 113.70 121.93 2crg s SER 69 Ca 0.00 1.95 0.19 0.00 0.48 0.00 0.00 55.95 58.56 2crg s SER 69 Cb -0.15 -2.55 1.10 0.00 0.10 0.00 0.00 66.02 64.52 2crg s SER 69 CO -0.09 -1.51 1.50 0.61 0.98 0.00 0.00 173.24 174.73